USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 724 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 59 MET CE :methyl 176:sc= -3.63 (180deg=-0.721) USER MOD Set 1.2: A 88 MET CE :methyl -121:sc= -2.84 (180deg=-0.513) USER MOD Set 1.3: A 90 SER OG : rot 180:sc= -0.0529 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= -0.98 USER MOD Set 2.2: A 92 ASN : amide:sc= -3.7! C(o=-4.7!,f=-9.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.9) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.00587 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc=-0.00839 (180deg=-0.153) USER MOD Single : A 38 HIS : no HD1:sc= -3.71! K(o=-3.7!,f=-2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 45:sc= 0.97 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.2!) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.875 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -1.05 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -140:sc= -0.833 (180deg=-2.63!) USER MOD Single : A 87 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.45) USER MOD Single : A 93 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.075) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 97 MET CE :methyl -138:sc= -0.315 (180deg=-1.35!) USER MOD Single : A 99 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc=-0.00993 (180deg=-0.163) USER MOD Single : A 102 MET CE :methyl 162:sc= -0.0892 (180deg=-0.576) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=0.62) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 112 LYS NZ :NH3+ 162:sc= -0.0757 (180deg=-0.47) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.440 7.505 5.370 1.00 0.00 N ATOM 47 CA SER A 4 -7.203 6.705 6.567 1.00 0.00 C ATOM 48 C SER A 4 -8.171 5.530 6.641 1.00 0.00 C ATOM 49 O SER A 4 -9.104 5.426 5.843 1.00 0.00 O ATOM 50 CB SER A 4 -7.332 7.569 7.821 1.00 0.00 C ATOM 51 OG SER A 4 -8.692 7.759 8.174 1.00 0.00 O ATOM 0 HA SER A 4 -6.188 6.311 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.801 7.097 8.648 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.859 8.536 7.650 1.00 0.00 H new ATOM 0 HG SER A 4 -8.746 8.314 8.980 1.00 0.00 H new ATOM 57 N GLY A 5 -7.940 4.645 7.603 1.00 0.00 N ATOM 58 CA GLY A 5 -8.789 3.483 7.769 1.00 0.00 C ATOM 59 C GLY A 5 -8.016 2.284 8.279 1.00 0.00 C ATOM 60 O GLY A 5 -6.822 2.149 8.010 1.00 0.00 O ATOM 0 H GLY A 5 -7.175 4.713 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.594 3.718 8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.255 3.235 6.815 1.00 0.00 H new ATOM 64 N ALA A 6 -8.689 1.413 9.021 1.00 0.00 N ATOM 65 CA ALA A 6 -8.042 0.229 9.568 1.00 0.00 C ATOM 66 C ALA A 6 -7.686 -0.764 8.470 1.00 0.00 C ATOM 67 O ALA A 6 -8.458 -0.978 7.536 1.00 0.00 O ATOM 68 CB ALA A 6 -8.927 -0.434 10.608 1.00 0.00 C ATOM 0 H ALA A 6 -9.677 1.504 9.256 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.117 0.550 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.425 -1.317 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.123 0.267 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.870 -0.729 10.148 1.00 0.00 H new ATOM 74 N ALA A 7 -6.511 -1.368 8.594 1.00 0.00 N ATOM 75 CA ALA A 7 -6.049 -2.344 7.614 1.00 0.00 C ATOM 76 C ALA A 7 -4.993 -3.279 8.199 1.00 0.00 C ATOM 77 O ALA A 7 -4.212 -2.885 9.064 1.00 0.00 O ATOM 78 CB ALA A 7 -5.499 -1.632 6.388 1.00 0.00 C ATOM 0 H ALA A 7 -5.861 -1.200 9.362 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.905 -2.954 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.157 -2.369 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.282 -1.019 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.664 -0.996 6.681 1.00 0.00 H new ATOM 84 N ILE A 8 -4.974 -4.523 7.717 1.00 0.00 N ATOM 85 CA ILE A 8 -4.012 -5.513 8.187 1.00 0.00 C ATOM 86 C ILE A 8 -2.807 -5.595 7.264 1.00 0.00 C ATOM 87 O ILE A 8 -2.934 -5.502 6.044 1.00 0.00 O ATOM 88 CB ILE A 8 -4.634 -6.915 8.257 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.949 -6.885 9.018 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.676 -7.911 8.898 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.766 -8.125 8.781 1.00 0.00 C ATOM 0 H ILE A 8 -5.615 -4.866 7.002 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.706 -5.189 9.182 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.831 -7.240 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.748 -6.781 10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.523 -6.009 8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.144 -8.895 8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.760 -7.966 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.437 -7.586 9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.697 -8.060 9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.990 -8.215 7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.204 -8.999 9.109 1.00 0.00 H new ATOM 103 N PHE A 9 -1.643 -5.801 7.859 1.00 0.00 N ATOM 104 CA PHE A 9 -0.413 -5.933 7.100 1.00 0.00 C ATOM 105 C PHE A 9 0.507 -6.945 7.770 1.00 0.00 C ATOM 106 O PHE A 9 1.095 -6.668 8.815 1.00 0.00 O ATOM 107 CB PHE A 9 0.285 -4.581 6.963 1.00 0.00 C ATOM 108 CG PHE A 9 1.565 -4.646 6.182 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.576 -5.132 4.885 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.756 -4.226 6.746 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.753 -5.196 4.164 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.938 -4.286 6.032 1.00 0.00 C ATOM 113 CZ PHE A 9 3.936 -4.771 4.738 1.00 0.00 C ATOM 0 H PHE A 9 -1.526 -5.880 8.869 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.658 -6.290 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.393 -3.878 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.495 -4.187 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.654 -5.465 4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.763 -3.846 7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.748 -5.578 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.861 -3.955 6.484 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.857 -4.818 4.176 1.00 0.00 H new ATOM 123 N GLU A 10 0.614 -8.123 7.163 1.00 0.00 N ATOM 124 CA GLU A 10 1.449 -9.200 7.686 1.00 0.00 C ATOM 125 C GLU A 10 0.766 -9.914 8.854 1.00 0.00 C ATOM 126 O GLU A 10 1.375 -10.128 9.903 1.00 0.00 O ATOM 127 CB GLU A 10 2.815 -8.664 8.119 1.00 0.00 C ATOM 128 CG GLU A 10 3.499 -7.814 7.062 1.00 0.00 C ATOM 129 CD GLU A 10 4.891 -7.377 7.473 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.238 -7.537 8.663 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.637 -6.878 6.605 1.00 0.00 O ATOM 0 H GLU A 10 0.127 -8.358 6.298 1.00 0.00 H new ATOM 0 HA GLU A 10 1.595 -9.924 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.692 -8.072 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.462 -9.504 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.560 -8.378 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.890 -6.932 6.861 1.00 0.00 H new ATOM 138 N LYS A 11 -0.494 -10.301 8.655 1.00 0.00 N ATOM 139 CA LYS A 11 -1.251 -11.015 9.669 1.00 0.00 C ATOM 140 C LYS A 11 -1.441 -10.198 10.945 1.00 0.00 C ATOM 141 O LYS A 11 -1.852 -10.734 11.974 1.00 0.00 O ATOM 142 CB LYS A 11 -0.556 -12.331 9.973 1.00 0.00 C ATOM 143 CG LYS A 11 -0.920 -13.434 8.997 1.00 0.00 C ATOM 144 CD LYS A 11 -2.185 -14.163 9.423 1.00 0.00 C ATOM 145 CE LYS A 11 -2.437 -15.389 8.563 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.280 -16.397 9.264 1.00 0.00 N ATOM 0 H LYS A 11 -1.010 -10.128 7.792 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.250 -11.202 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.523 -12.178 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.815 -12.647 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.061 -13.009 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.096 -14.144 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.100 -14.461 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.037 -13.487 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.926 -15.088 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.484 -15.841 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.428 -17.218 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.802 -16.704 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.199 -15.974 9.504 1.00 0.00 H new ATOM 160 N VAL A 12 -1.173 -8.898 10.872 1.00 0.00 N ATOM 161 CA VAL A 12 -1.351 -8.024 12.010 1.00 0.00 C ATOM 162 C VAL A 12 -2.257 -6.871 11.611 1.00 0.00 C ATOM 163 O VAL A 12 -2.165 -6.367 10.494 1.00 0.00 O ATOM 164 CB VAL A 12 -0.005 -7.490 12.542 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.225 -6.490 13.669 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.874 -8.642 13.009 1.00 0.00 C ATOM 0 H VAL A 12 -0.831 -8.432 10.031 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.808 -8.597 12.817 1.00 0.00 H new ATOM 0 HB VAL A 12 0.504 -6.973 11.729 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.739 -6.128 14.027 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.814 -5.650 13.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.757 -6.975 14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.820 -8.250 13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.368 -9.186 13.806 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.064 -9.316 12.174 1.00 0.00 H new ATOM 176 N SER A 13 -3.154 -6.477 12.503 1.00 0.00 N ATOM 177 CA SER A 13 -4.089 -5.404 12.200 1.00 0.00 C ATOM 178 C SER A 13 -3.676 -4.093 12.851 1.00 0.00 C ATOM 179 O SER A 13 -3.094 -4.071 13.935 1.00 0.00 O ATOM 180 CB SER A 13 -5.500 -5.786 12.647 1.00 0.00 C ATOM 181 OG SER A 13 -5.806 -7.122 12.286 1.00 0.00 O ATOM 0 H SER A 13 -3.254 -6.880 13.435 1.00 0.00 H new ATOM 0 HA SER A 13 -4.079 -5.258 11.120 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.587 -5.669 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.224 -5.109 12.194 1.00 0.00 H new ATOM 0 HG SER A 13 -6.713 -7.342 12.585 1.00 0.00 H new ATOM 187 N GLY A 14 -3.996 -3.006 12.166 1.00 0.00 N ATOM 188 CA GLY A 14 -3.675 -1.683 12.657 1.00 0.00 C ATOM 189 C GLY A 14 -4.380 -0.615 11.850 1.00 0.00 C ATOM 190 O GLY A 14 -5.113 -0.925 10.912 1.00 0.00 O ATOM 0 H GLY A 14 -4.478 -3.018 11.267 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.964 -1.601 13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.597 -1.526 12.610 1.00 0.00 H new ATOM 194 N ILE A 15 -4.162 0.643 12.203 1.00 0.00 N ATOM 195 CA ILE A 15 -4.793 1.741 11.488 1.00 0.00 C ATOM 196 C ILE A 15 -3.896 2.257 10.371 1.00 0.00 C ATOM 197 O ILE A 15 -2.723 2.563 10.583 1.00 0.00 O ATOM 198 CB ILE A 15 -5.173 2.889 12.443 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.240 2.392 13.433 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.658 4.107 11.660 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.541 3.169 13.400 1.00 0.00 C ATOM 0 H ILE A 15 -3.558 0.927 12.974 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.709 1.353 11.042 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.293 3.200 13.006 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.452 1.344 13.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.830 2.438 14.442 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.921 4.905 12.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.866 4.451 10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.534 3.836 11.071 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.234 2.750 14.129 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.347 4.214 13.643 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.979 3.103 12.404 1.00 0.00 H new ATOM 213 N ILE A 16 -4.466 2.334 9.176 1.00 0.00 N ATOM 214 CA ILE A 16 -3.748 2.790 8.002 1.00 0.00 C ATOM 215 C ILE A 16 -4.108 4.238 7.680 1.00 0.00 C ATOM 216 O ILE A 16 -5.270 4.560 7.437 1.00 0.00 O ATOM 217 CB ILE A 16 -4.077 1.871 6.797 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.888 0.961 6.495 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.480 2.676 5.563 1.00 0.00 C ATOM 220 CD1 ILE A 16 -3.023 0.171 5.210 1.00 0.00 C ATOM 0 H ILE A 16 -5.438 2.082 8.997 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.678 2.743 8.204 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.934 1.253 7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.984 1.568 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.757 0.266 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.702 1.995 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.364 3.272 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.662 3.336 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.138 -0.449 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.907 -0.465 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.122 0.858 4.369 1.00 0.00 H new ATOM 232 N ALA A 17 -3.100 5.104 7.676 1.00 0.00 N ATOM 233 CA ALA A 17 -3.309 6.514 7.378 1.00 0.00 C ATOM 234 C ALA A 17 -2.531 6.923 6.136 1.00 0.00 C ATOM 235 O ALA A 17 -1.410 6.466 5.915 1.00 0.00 O ATOM 236 CB ALA A 17 -2.903 7.376 8.563 1.00 0.00 C ATOM 0 H ALA A 17 -2.132 4.853 7.876 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.371 6.667 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.066 8.426 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.503 7.106 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.848 7.215 8.786 1.00 0.00 H new ATOM 242 N ILE A 18 -3.132 7.783 5.327 1.00 0.00 N ATOM 243 CA ILE A 18 -2.499 8.251 4.107 1.00 0.00 C ATOM 244 C ILE A 18 -2.016 9.690 4.273 1.00 0.00 C ATOM 245 O ILE A 18 -2.815 10.624 4.320 1.00 0.00 O ATOM 246 CB ILE A 18 -3.479 8.143 2.914 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.254 6.830 2.165 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.344 9.327 1.968 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.440 6.400 1.330 1.00 0.00 C ATOM 0 H ILE A 18 -4.060 8.171 5.496 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.635 7.619 3.902 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.494 8.156 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.383 6.935 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.023 6.045 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.048 9.216 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.559 10.250 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.328 9.365 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.209 5.461 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.308 6.263 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.658 7.166 0.586 1.00 0.00 H new ATOM 261 N ASN A 19 -0.701 9.860 4.359 1.00 0.00 N ATOM 262 CA ASN A 19 -0.115 11.184 4.516 1.00 0.00 C ATOM 263 C ASN A 19 0.363 11.718 3.173 1.00 0.00 C ATOM 264 O ASN A 19 1.343 11.227 2.611 1.00 0.00 O ATOM 265 CB ASN A 19 1.051 11.137 5.506 1.00 0.00 C ATOM 266 CG ASN A 19 1.505 12.517 5.931 1.00 0.00 C ATOM 267 OD1 ASN A 19 0.791 13.503 5.745 1.00 0.00 O ATOM 268 ND2 ASN A 19 2.701 12.597 6.504 1.00 0.00 N ATOM 0 H ASN A 19 -0.023 9.099 4.323 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.881 11.854 4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.753 10.569 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.888 10.606 5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.061 13.501 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.259 11.754 6.639 1.00 0.00 H new ATOM 275 N GLU A 20 -0.332 12.728 2.662 1.00 0.00 N ATOM 276 CA GLU A 20 0.024 13.326 1.384 1.00 0.00 C ATOM 277 C GLU A 20 0.994 14.489 1.571 1.00 0.00 C ATOM 278 O GLU A 20 1.646 14.921 0.621 1.00 0.00 O ATOM 279 CB GLU A 20 -1.230 13.805 0.650 1.00 0.00 C ATOM 280 CG GLU A 20 -2.204 12.685 0.316 1.00 0.00 C ATOM 281 CD GLU A 20 -3.395 13.169 -0.486 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.296 13.797 0.109 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.427 12.921 -1.711 1.00 0.00 O ATOM 0 H GLU A 20 -1.144 13.148 3.114 1.00 0.00 H new ATOM 0 HA GLU A 20 0.517 12.561 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.739 14.547 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.933 14.304 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.682 11.910 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.555 12.226 1.240 1.00 0.00 H new ATOM 290 N ASP A 21 1.095 14.987 2.802 1.00 0.00 N ATOM 291 CA ASP A 21 1.997 16.093 3.103 1.00 0.00 C ATOM 292 C ASP A 21 3.411 15.778 2.624 1.00 0.00 C ATOM 293 O ASP A 21 4.207 16.679 2.362 1.00 0.00 O ATOM 294 CB ASP A 21 2.004 16.383 4.605 1.00 0.00 C ATOM 295 CG ASP A 21 2.754 17.657 4.946 1.00 0.00 C ATOM 296 OD1 ASP A 21 3.030 18.448 4.021 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.065 17.860 6.138 1.00 0.00 O ATOM 0 H ASP A 21 0.565 14.643 3.603 1.00 0.00 H new ATOM 0 HA ASP A 21 1.640 16.978 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.977 16.463 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.460 15.545 5.132 1.00 0.00 H new ATOM 302 N VAL A 22 3.711 14.488 2.510 1.00 0.00 N ATOM 303 CA VAL A 22 5.017 14.042 2.060 1.00 0.00 C ATOM 304 C VAL A 22 5.095 14.039 0.540 1.00 0.00 C ATOM 305 O VAL A 22 4.078 13.913 -0.143 1.00 0.00 O ATOM 306 CB VAL A 22 5.345 12.635 2.574 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.850 12.431 2.648 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.696 12.377 3.926 1.00 0.00 C ATOM 0 H VAL A 22 3.061 13.732 2.725 1.00 0.00 H new ATOM 0 HA VAL A 22 5.745 14.744 2.466 1.00 0.00 H new ATOM 0 HB VAL A 22 4.935 11.914 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.063 11.427 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.283 12.554 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.284 13.165 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.947 11.372 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.062 13.105 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.614 12.469 3.834 1.00 0.00 H new ATOM 318 N SER A 23 6.304 14.179 0.013 1.00 0.00 N ATOM 319 CA SER A 23 6.507 14.189 -1.428 1.00 0.00 C ATOM 320 C SER A 23 7.759 13.398 -1.807 1.00 0.00 C ATOM 321 O SER A 23 8.880 13.848 -1.567 1.00 0.00 O ATOM 322 CB SER A 23 6.624 15.625 -1.939 1.00 0.00 C ATOM 323 OG SER A 23 7.097 16.492 -0.922 1.00 0.00 O ATOM 0 H SER A 23 7.157 14.287 0.561 1.00 0.00 H new ATOM 0 HA SER A 23 5.643 13.715 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.302 15.657 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.652 15.969 -2.291 1.00 0.00 H new ATOM 0 HG SER A 23 7.165 17.404 -1.275 1.00 0.00 H new ATOM 329 N PRO A 24 7.591 12.202 -2.403 1.00 0.00 N ATOM 330 CA PRO A 24 6.275 11.624 -2.709 1.00 0.00 C ATOM 331 C PRO A 24 5.497 11.246 -1.451 1.00 0.00 C ATOM 332 O PRO A 24 6.084 10.901 -0.426 1.00 0.00 O ATOM 333 CB PRO A 24 6.604 10.366 -3.528 1.00 0.00 C ATOM 334 CG PRO A 24 8.039 10.505 -3.915 1.00 0.00 C ATOM 335 CD PRO A 24 8.681 11.318 -2.830 1.00 0.00 C ATOM 0 HA PRO A 24 5.640 12.336 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.442 9.462 -2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.966 10.293 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.515 9.529 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.137 10.998 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.039 10.692 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.538 11.881 -3.199 1.00 0.00 H new ATOM 343 N ALA A 25 4.170 11.310 -1.541 1.00 0.00 N ATOM 344 CA ALA A 25 3.305 10.972 -0.414 1.00 0.00 C ATOM 345 C ALA A 25 3.619 9.575 0.117 1.00 0.00 C ATOM 346 O ALA A 25 4.405 8.839 -0.479 1.00 0.00 O ATOM 347 CB ALA A 25 1.843 11.065 -0.825 1.00 0.00 C ATOM 0 H ALA A 25 3.670 11.593 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 25 3.493 11.689 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.209 10.810 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.621 12.081 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.650 10.370 -1.643 1.00 0.00 H new ATOM 353 N GLU A 26 3.008 9.216 1.244 1.00 0.00 N ATOM 354 CA GLU A 26 3.241 7.905 1.846 1.00 0.00 C ATOM 355 C GLU A 26 2.014 7.406 2.609 1.00 0.00 C ATOM 356 O GLU A 26 1.132 8.186 2.973 1.00 0.00 O ATOM 357 CB GLU A 26 4.445 7.964 2.786 1.00 0.00 C ATOM 358 CG GLU A 26 5.740 8.356 2.093 1.00 0.00 C ATOM 359 CD GLU A 26 6.930 8.357 3.033 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.716 8.308 4.262 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.077 8.407 2.539 1.00 0.00 O ATOM 0 H GLU A 26 2.354 9.808 1.755 1.00 0.00 H new ATOM 0 HA GLU A 26 3.442 7.203 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.238 8.679 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.575 6.990 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.931 7.665 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.627 9.348 1.655 1.00 0.00 H new ATOM 368 N LEU A 27 1.977 6.099 2.852 1.00 0.00 N ATOM 369 CA LEU A 27 0.877 5.470 3.575 1.00 0.00 C ATOM 370 C LEU A 27 1.382 4.849 4.877 1.00 0.00 C ATOM 371 O LEU A 27 2.189 3.920 4.857 1.00 0.00 O ATOM 372 CB LEU A 27 0.220 4.399 2.700 1.00 0.00 C ATOM 373 CG LEU A 27 -0.711 3.437 3.439 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.812 4.206 4.153 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.300 2.419 2.474 1.00 0.00 C ATOM 0 H LEU A 27 2.705 5.449 2.555 1.00 0.00 H new ATOM 0 HA LEU A 27 0.137 6.232 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.347 4.894 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.004 3.819 2.213 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.130 2.899 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.466 3.506 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.368 4.893 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.393 4.771 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.960 1.742 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.868 2.937 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.495 1.847 2.012 1.00 0.00 H new ATOM 387 N THR A 28 0.922 5.377 6.006 1.00 0.00 N ATOM 388 CA THR A 28 1.338 4.902 7.299 1.00 0.00 C ATOM 389 C THR A 28 0.413 3.809 7.832 1.00 0.00 C ATOM 390 O THR A 28 -0.793 3.819 7.583 1.00 0.00 O ATOM 391 CB THR A 28 1.348 6.086 8.250 1.00 0.00 C ATOM 392 OG1 THR A 28 1.217 7.306 7.538 1.00 0.00 O ATOM 393 CG2 THR A 28 2.605 6.175 9.065 1.00 0.00 C ATOM 0 H THR A 28 0.251 6.145 6.039 1.00 0.00 H new ATOM 0 HA THR A 28 2.331 4.461 7.213 1.00 0.00 H new ATOM 0 HB THR A 28 0.503 5.926 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.224 8.056 8.169 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.551 7.041 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.716 5.270 9.663 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.463 6.278 8.401 1.00 0.00 H new ATOM 401 N TRP A 29 0.995 2.876 8.578 1.00 0.00 N ATOM 402 CA TRP A 29 0.253 1.779 9.172 1.00 0.00 C ATOM 403 C TRP A 29 0.653 1.593 10.628 1.00 0.00 C ATOM 404 O TRP A 29 1.760 1.144 10.922 1.00 0.00 O ATOM 405 CB TRP A 29 0.510 0.478 8.414 1.00 0.00 C ATOM 406 CG TRP A 29 -0.239 -0.680 8.992 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.577 -0.736 9.228 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.300 -1.936 9.424 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.914 -1.957 9.762 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.779 -2.708 9.891 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.585 -2.487 9.456 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.614 -3.996 10.382 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.747 -3.773 9.946 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.649 -4.514 10.402 1.00 0.00 C ATOM 0 H TRP A 29 1.994 2.862 8.785 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.807 2.025 9.114 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.224 0.607 7.370 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.578 0.259 8.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.274 0.063 9.025 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.855 -2.254 10.019 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.435 -1.921 9.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.457 -4.570 10.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.734 -4.210 9.977 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.805 -5.515 10.777 1.00 0.00 H new ATOM 425 N ARG A 30 -0.251 1.921 11.536 1.00 0.00 N ATOM 426 CA ARG A 30 0.023 1.766 12.957 1.00 0.00 C ATOM 427 C ARG A 30 -0.689 0.530 13.493 1.00 0.00 C ATOM 428 O ARG A 30 -1.895 0.379 13.314 1.00 0.00 O ATOM 429 CB ARG A 30 -0.422 3.009 13.729 1.00 0.00 C ATOM 430 CG ARG A 30 -0.089 2.960 15.211 1.00 0.00 C ATOM 431 CD ARG A 30 -0.647 4.166 15.949 1.00 0.00 C ATOM 432 NE ARG A 30 -0.267 4.170 17.360 1.00 0.00 N ATOM 433 CZ ARG A 30 0.916 4.582 17.808 1.00 0.00 C ATOM 434 NH1 ARG A 30 1.838 5.021 16.961 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.178 4.556 19.107 1.00 0.00 N ATOM 0 H ARG A 30 -1.175 2.294 11.318 1.00 0.00 H new ATOM 0 HA ARG A 30 1.097 1.643 13.093 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.050 3.887 13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.499 3.133 13.612 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.495 2.047 15.646 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.993 2.922 15.341 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.288 5.079 15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.734 4.170 15.866 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.949 3.837 18.042 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.642 5.044 15.960 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.743 5.336 17.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.473 4.220 19.763 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.085 4.872 19.451 1.00 0.00 H new ATOM 449 N SER A 31 0.057 -0.360 14.143 1.00 0.00 N ATOM 450 CA SER A 31 -0.523 -1.579 14.682 1.00 0.00 C ATOM 451 C SER A 31 -1.600 -1.257 15.707 1.00 0.00 C ATOM 452 O SER A 31 -1.654 -0.150 16.244 1.00 0.00 O ATOM 453 CB SER A 31 0.564 -2.452 15.314 1.00 0.00 C ATOM 454 OG SER A 31 1.180 -1.791 16.405 1.00 0.00 O ATOM 0 H SER A 31 1.059 -0.258 14.307 1.00 0.00 H new ATOM 0 HA SER A 31 -0.983 -2.129 13.861 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.128 -3.392 15.653 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.315 -2.701 14.565 1.00 0.00 H new ATOM 0 HG SER A 31 1.869 -2.371 16.792 1.00 0.00 H new ATOM 460 N THR A 32 -2.447 -2.237 15.980 1.00 0.00 N ATOM 461 CA THR A 32 -3.516 -2.081 16.939 1.00 0.00 C ATOM 462 C THR A 32 -2.941 -1.773 18.313 1.00 0.00 C ATOM 463 O THR A 32 -3.546 -1.063 19.117 1.00 0.00 O ATOM 464 CB THR A 32 -4.323 -3.374 16.969 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.386 -3.330 16.034 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.909 -3.698 18.317 1.00 0.00 C ATOM 0 H THR A 32 -2.409 -3.157 15.542 1.00 0.00 H new ATOM 0 HA THR A 32 -4.164 -1.252 16.654 1.00 0.00 H new ATOM 0 HB THR A 32 -3.606 -4.154 16.715 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.042 -3.531 15.138 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.468 -4.632 18.256 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.106 -3.803 19.047 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.578 -2.894 18.626 1.00 0.00 H new ATOM 474 N ASP A 33 -1.767 -2.325 18.565 1.00 0.00 N ATOM 475 CA ASP A 33 -1.082 -2.133 19.836 1.00 0.00 C ATOM 476 C ASP A 33 -0.571 -0.707 19.970 1.00 0.00 C ATOM 477 O ASP A 33 -0.520 -0.152 21.068 1.00 0.00 O ATOM 478 CB ASP A 33 0.078 -3.121 19.971 1.00 0.00 C ATOM 479 CG ASP A 33 0.682 -3.119 21.362 1.00 0.00 C ATOM 480 OD1 ASP A 33 0.038 -2.581 22.289 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.798 -3.655 21.525 1.00 0.00 O ATOM 0 H ASP A 33 -1.263 -2.914 17.902 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.799 -2.317 20.636 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.274 -4.125 19.732 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.850 -2.872 19.243 1.00 0.00 H new ATOM 486 N GLY A 34 -0.187 -0.127 18.846 1.00 0.00 N ATOM 487 CA GLY A 34 0.326 1.228 18.843 1.00 0.00 C ATOM 488 C GLY A 34 1.797 1.278 19.192 1.00 0.00 C ATOM 489 O GLY A 34 2.294 2.289 19.688 1.00 0.00 O ATOM 0 H GLY A 34 -0.221 -0.572 17.929 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.171 1.672 17.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.237 1.830 19.556 1.00 0.00 H new ATOM 493 N ASP A 35 2.493 0.178 18.933 1.00 0.00 N ATOM 494 CA ASP A 35 3.916 0.087 19.220 1.00 0.00 C ATOM 495 C ASP A 35 4.736 -0.042 17.939 1.00 0.00 C ATOM 496 O ASP A 35 5.940 0.213 17.935 1.00 0.00 O ATOM 497 CB ASP A 35 4.197 -1.102 20.141 1.00 0.00 C ATOM 498 CG ASP A 35 5.647 -1.160 20.588 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.363 -0.153 20.414 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.063 -2.214 21.112 1.00 0.00 O ATOM 0 H ASP A 35 2.092 -0.666 18.523 1.00 0.00 H new ATOM 0 HA ASP A 35 4.213 1.008 19.721 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.552 -1.039 21.017 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.942 -2.027 19.623 1.00 0.00 H new ATOM 505 N LYS A 36 4.080 -0.440 16.853 1.00 0.00 N ATOM 506 CA LYS A 36 4.755 -0.599 15.571 1.00 0.00 C ATOM 507 C LYS A 36 4.049 0.201 14.484 1.00 0.00 C ATOM 508 O LYS A 36 2.839 0.076 14.291 1.00 0.00 O ATOM 509 CB LYS A 36 4.814 -2.078 15.182 1.00 0.00 C ATOM 510 CG LYS A 36 6.194 -2.692 15.344 1.00 0.00 C ATOM 511 CD LYS A 36 6.177 -4.184 15.048 1.00 0.00 C ATOM 512 CE LYS A 36 5.965 -4.457 13.568 1.00 0.00 C ATOM 513 NZ LYS A 36 7.148 -4.060 12.755 1.00 0.00 N ATOM 0 H LYS A 36 3.084 -0.658 16.836 1.00 0.00 H new ATOM 0 HA LYS A 36 5.772 -0.219 15.672 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.103 -2.635 15.793 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.496 -2.186 14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.896 -2.195 14.674 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.551 -2.525 16.360 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.118 -4.630 15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.384 -4.661 15.624 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.762 -5.518 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.087 -3.913 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.060 -4.457 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.197 -3.023 12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.014 -4.423 13.202 1.00 0.00 H new ATOM 527 N VAL A 37 4.812 1.025 13.776 1.00 0.00 N ATOM 528 CA VAL A 37 4.261 1.847 12.707 1.00 0.00 C ATOM 529 C VAL A 37 5.015 1.627 11.402 1.00 0.00 C ATOM 530 O VAL A 37 6.229 1.822 11.334 1.00 0.00 O ATOM 531 CB VAL A 37 4.309 3.345 13.068 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.565 4.169 12.029 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.732 3.577 14.457 1.00 0.00 C ATOM 0 H VAL A 37 5.815 1.141 13.923 1.00 0.00 H new ATOM 0 HA VAL A 37 3.222 1.545 12.579 1.00 0.00 H new ATOM 0 HB VAL A 37 5.351 3.666 13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.610 5.224 12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.027 4.026 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.524 3.849 11.988 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.774 4.640 14.696 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.696 3.240 14.481 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.313 3.017 15.190 1.00 0.00 H new ATOM 543 N HIS A 38 4.289 1.219 10.368 1.00 0.00 N ATOM 544 CA HIS A 38 4.893 0.972 9.061 1.00 0.00 C ATOM 545 C HIS A 38 4.487 2.037 8.058 1.00 0.00 C ATOM 546 O HIS A 38 3.352 2.504 8.048 1.00 0.00 O ATOM 547 CB HIS A 38 4.506 -0.401 8.527 1.00 0.00 C ATOM 548 CG HIS A 38 5.108 -0.724 7.194 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.958 -1.792 6.988 1.00 0.00 N ATOM 550 CD2 HIS A 38 4.975 -0.114 5.991 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.321 -1.824 5.717 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.738 -0.819 5.092 1.00 0.00 N ATOM 0 H HIS A 38 3.284 1.052 10.407 1.00 0.00 H new ATOM 0 HA HIS A 38 5.974 1.008 9.196 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.812 -1.160 9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.420 -0.457 8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.380 0.762 5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.982 -2.550 5.267 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.838 -0.601 4.101 1.00 0.00 H new ATOM 561 N THR A 39 5.427 2.409 7.212 1.00 0.00 N ATOM 562 CA THR A 39 5.183 3.419 6.188 1.00 0.00 C ATOM 563 C THR A 39 5.369 2.828 4.794 1.00 0.00 C ATOM 564 O THR A 39 6.348 2.129 4.531 1.00 0.00 O ATOM 565 CB THR A 39 6.123 4.609 6.381 1.00 0.00 C ATOM 566 OG1 THR A 39 6.115 5.043 7.730 1.00 0.00 O ATOM 567 CG2 THR A 39 5.767 5.799 5.516 1.00 0.00 C ATOM 0 H THR A 39 6.373 2.028 7.210 1.00 0.00 H new ATOM 0 HA THR A 39 4.153 3.762 6.286 1.00 0.00 H new ATOM 0 HB THR A 39 7.109 4.247 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.724 5.804 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.473 6.608 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.813 5.512 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.758 6.135 5.757 1.00 0.00 H new ATOM 575 N VAL A 40 4.421 3.109 3.908 1.00 0.00 N ATOM 576 CA VAL A 40 4.477 2.600 2.542 1.00 0.00 C ATOM 577 C VAL A 40 4.562 3.739 1.533 1.00 0.00 C ATOM 578 O VAL A 40 3.948 4.791 1.714 1.00 0.00 O ATOM 579 CB VAL A 40 3.244 1.740 2.212 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.421 1.044 0.871 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.983 0.726 3.315 1.00 0.00 C ATOM 0 H VAL A 40 3.605 3.686 4.110 1.00 0.00 H new ATOM 0 HA VAL A 40 5.374 1.985 2.473 1.00 0.00 H new ATOM 0 HB VAL A 40 2.377 2.397 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.539 0.441 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.550 1.791 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.300 0.401 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.107 0.129 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.849 0.073 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.806 1.248 4.255 1.00 0.00 H new ATOM 591 N VAL A 41 5.319 3.520 0.464 1.00 0.00 N ATOM 592 CA VAL A 41 5.475 4.525 -0.579 1.00 0.00 C ATOM 593 C VAL A 41 4.411 4.347 -1.657 1.00 0.00 C ATOM 594 O VAL A 41 4.275 3.270 -2.238 1.00 0.00 O ATOM 595 CB VAL A 41 6.871 4.455 -1.228 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.093 5.649 -2.145 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.952 4.383 -0.161 1.00 0.00 C ATOM 0 H VAL A 41 5.834 2.655 0.297 1.00 0.00 H new ATOM 0 HA VAL A 41 5.359 5.501 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 41 6.928 3.548 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.084 5.583 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.337 5.650 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.017 6.570 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.931 4.334 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.900 5.270 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.801 3.493 0.450 1.00 0.00 H new ATOM 607 N LEU A 42 3.652 5.407 -1.910 1.00 0.00 N ATOM 608 CA LEU A 42 2.591 5.367 -2.909 1.00 0.00 C ATOM 609 C LEU A 42 3.112 5.727 -4.300 1.00 0.00 C ATOM 610 O LEU A 42 2.415 5.538 -5.298 1.00 0.00 O ATOM 611 CB LEU A 42 1.461 6.316 -2.509 1.00 0.00 C ATOM 612 CG LEU A 42 1.019 6.213 -1.048 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.176 7.116 -0.786 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.689 4.769 -0.691 1.00 0.00 C ATOM 0 H LEU A 42 3.752 6.305 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 42 2.210 4.346 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.779 7.340 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.600 6.122 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 42 1.843 6.544 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.476 7.029 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.095 8.150 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.005 6.818 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.376 4.714 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.118 4.411 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.572 4.147 -0.838 1.00 0.00 H new ATOM 626 N SER A 43 4.336 6.244 -4.365 1.00 0.00 N ATOM 627 CA SER A 43 4.935 6.625 -5.638 1.00 0.00 C ATOM 628 C SER A 43 5.489 5.403 -6.361 1.00 0.00 C ATOM 629 O SER A 43 5.524 5.361 -7.591 1.00 0.00 O ATOM 630 CB SER A 43 6.049 7.648 -5.417 1.00 0.00 C ATOM 631 OG SER A 43 6.363 8.329 -6.618 1.00 0.00 O ATOM 0 H SER A 43 4.930 6.408 -3.552 1.00 0.00 H new ATOM 0 HA SER A 43 4.159 7.074 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.741 8.367 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.938 7.145 -5.038 1.00 0.00 H new ATOM 0 HG SER A 43 5.535 8.595 -7.070 1.00 0.00 H new ATOM 637 N THR A 44 5.919 4.411 -5.590 1.00 0.00 N ATOM 638 CA THR A 44 6.472 3.190 -6.159 1.00 0.00 C ATOM 639 C THR A 44 5.363 2.255 -6.633 1.00 0.00 C ATOM 640 O THR A 44 5.577 1.416 -7.507 1.00 0.00 O ATOM 641 CB THR A 44 7.358 2.476 -5.137 1.00 0.00 C ATOM 642 OG1 THR A 44 7.984 1.346 -5.718 1.00 0.00 O ATOM 643 CG2 THR A 44 6.600 2.003 -3.916 1.00 0.00 C ATOM 0 H THR A 44 5.895 4.429 -4.570 1.00 0.00 H new ATOM 0 HA THR A 44 7.079 3.468 -7.021 1.00 0.00 H new ATOM 0 HB THR A 44 8.093 3.217 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.547 0.904 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.287 1.505 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.146 2.858 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.821 1.304 -4.220 1.00 0.00 H new ATOM 651 N ILE A 45 4.180 2.410 -6.051 1.00 0.00 N ATOM 652 CA ILE A 45 3.034 1.584 -6.413 1.00 0.00 C ATOM 653 C ILE A 45 2.688 1.743 -7.888 1.00 0.00 C ATOM 654 O ILE A 45 1.946 2.648 -8.269 1.00 0.00 O ATOM 655 CB ILE A 45 1.797 1.931 -5.564 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.155 1.939 -4.076 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.672 0.947 -5.837 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.787 0.648 -3.598 1.00 0.00 C ATOM 0 H ILE A 45 3.989 3.101 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 45 3.316 0.549 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 45 1.456 2.928 -5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.840 2.764 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.253 2.129 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.194 1.207 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.400 0.988 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.002 -0.061 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.014 0.726 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.095 -0.178 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.707 0.466 -4.153 1.00 0.00 H new ATOM 670 N ASP A 46 3.232 0.856 -8.713 1.00 0.00 N ATOM 671 CA ASP A 46 2.984 0.893 -10.147 1.00 0.00 C ATOM 672 C ASP A 46 1.497 0.745 -10.445 1.00 0.00 C ATOM 673 O ASP A 46 0.998 1.282 -11.434 1.00 0.00 O ATOM 674 CB ASP A 46 3.770 -0.215 -10.850 1.00 0.00 C ATOM 675 CG ASP A 46 3.723 -0.089 -12.360 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.329 0.988 -12.855 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.082 -1.069 -13.049 1.00 0.00 O ATOM 0 H ASP A 46 3.849 0.102 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 46 3.317 1.860 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.808 -0.187 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.367 -1.184 -10.556 1.00 0.00 H new ATOM 682 N LYS A 47 0.791 0.014 -9.586 1.00 0.00 N ATOM 683 CA LYS A 47 -0.641 -0.200 -9.767 1.00 0.00 C ATOM 684 C LYS A 47 -1.303 -0.629 -8.462 1.00 0.00 C ATOM 685 O LYS A 47 -0.627 -0.994 -7.501 1.00 0.00 O ATOM 686 CB LYS A 47 -0.889 -1.260 -10.844 1.00 0.00 C ATOM 687 CG LYS A 47 -0.539 -0.799 -12.249 1.00 0.00 C ATOM 688 CD LYS A 47 -1.050 -1.773 -13.298 1.00 0.00 C ATOM 689 CE LYS A 47 -0.367 -3.126 -13.181 1.00 0.00 C ATOM 690 NZ LYS A 47 -0.315 -3.837 -14.487 1.00 0.00 N ATOM 0 H LYS A 47 1.186 -0.438 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.082 0.746 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.305 -2.149 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.939 -1.552 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.968 0.187 -12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.542 -0.698 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.127 -1.897 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.877 -1.362 -14.293 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.646 -2.990 -12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.900 -3.740 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.158 -4.755 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.282 -3.990 -14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.215 -3.263 -15.174 1.00 0.00 H new ATOM 704 N LEU A 48 -2.630 -0.585 -8.440 1.00 0.00 N ATOM 705 CA LEU A 48 -3.392 -0.970 -7.257 1.00 0.00 C ATOM 706 C LEU A 48 -4.280 -2.175 -7.554 1.00 0.00 C ATOM 707 O LEU A 48 -4.950 -2.223 -8.586 1.00 0.00 O ATOM 708 CB LEU A 48 -4.249 0.201 -6.772 1.00 0.00 C ATOM 709 CG LEU A 48 -3.583 1.111 -5.738 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.368 1.801 -6.339 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.577 2.138 -5.213 1.00 0.00 C ATOM 0 H LEU A 48 -3.202 -0.286 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.686 -1.243 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.533 0.804 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.169 -0.196 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.250 0.497 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.907 2.444 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.648 1.051 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.677 2.403 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.086 2.777 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.940 2.748 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.417 1.625 -4.744 1.00 0.00 H new ATOM 723 N GLN A 49 -4.283 -3.143 -6.645 1.00 0.00 N ATOM 724 CA GLN A 49 -5.091 -4.346 -6.812 1.00 0.00 C ATOM 725 C GLN A 49 -5.951 -4.599 -5.577 1.00 0.00 C ATOM 726 O GLN A 49 -5.525 -4.345 -4.450 1.00 0.00 O ATOM 727 CB GLN A 49 -4.196 -5.557 -7.082 1.00 0.00 C ATOM 728 CG GLN A 49 -4.966 -6.804 -7.484 1.00 0.00 C ATOM 729 CD GLN A 49 -4.080 -8.030 -7.584 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.622 -8.564 -6.574 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.832 -8.484 -8.808 1.00 0.00 N ATOM 0 H GLN A 49 -3.735 -3.119 -5.785 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.749 -4.194 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.488 -5.306 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.612 -5.773 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.756 -6.989 -6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.452 -6.632 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.232 -8.011 -9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.242 -9.306 -8.937 1.00 0.00 H new ATOM 740 N ALA A 50 -7.162 -5.100 -5.797 1.00 0.00 N ATOM 741 CA ALA A 50 -8.080 -5.385 -4.701 1.00 0.00 C ATOM 742 C ALA A 50 -8.859 -6.671 -4.956 1.00 0.00 C ATOM 743 O ALA A 50 -9.023 -7.092 -6.101 1.00 0.00 O ATOM 744 CB ALA A 50 -9.036 -4.219 -4.497 1.00 0.00 C ATOM 0 H ALA A 50 -7.530 -5.317 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.491 -5.522 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.716 -4.445 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.468 -3.320 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.610 -4.056 -5.409 1.00 0.00 H new ATOM 750 N THR A 51 -9.336 -7.288 -3.881 1.00 0.00 N ATOM 751 CA THR A 51 -10.100 -8.526 -3.986 1.00 0.00 C ATOM 752 C THR A 51 -11.500 -8.259 -4.536 1.00 0.00 C ATOM 753 O THR A 51 -12.039 -7.164 -4.377 1.00 0.00 O ATOM 754 CB THR A 51 -10.198 -9.208 -2.621 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.434 -8.254 -1.601 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.950 -9.978 -2.247 1.00 0.00 C ATOM 0 H THR A 51 -9.207 -6.951 -2.927 1.00 0.00 H new ATOM 0 HA THR A 51 -9.578 -9.187 -4.678 1.00 0.00 H new ATOM 0 HB THR A 51 -11.028 -9.910 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.387 -8.250 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.086 -10.437 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.765 -10.754 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.099 -9.298 -2.214 1.00 0.00 H new ATOM 764 N PRO A 52 -12.107 -9.261 -5.193 1.00 0.00 N ATOM 765 CA PRO A 52 -13.451 -9.129 -5.768 1.00 0.00 C ATOM 766 C PRO A 52 -14.530 -9.008 -4.697 1.00 0.00 C ATOM 767 O PRO A 52 -14.337 -9.426 -3.555 1.00 0.00 O ATOM 768 CB PRO A 52 -13.630 -10.426 -6.562 1.00 0.00 C ATOM 769 CG PRO A 52 -12.710 -11.400 -5.910 1.00 0.00 C ATOM 770 CD PRO A 52 -11.534 -10.599 -5.428 1.00 0.00 C ATOM 0 HA PRO A 52 -13.547 -8.227 -6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.663 -10.772 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.377 -10.285 -7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.203 -11.907 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.395 -12.171 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.107 -11.019 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.736 -10.570 -6.170 1.00 0.00 H new ATOM 778 N ALA A 53 -15.668 -8.433 -5.075 1.00 0.00 N ATOM 779 CA ALA A 53 -16.781 -8.255 -4.149 1.00 0.00 C ATOM 780 C ALA A 53 -17.427 -9.590 -3.784 1.00 0.00 C ATOM 781 O ALA A 53 -18.233 -9.664 -2.858 1.00 0.00 O ATOM 782 CB ALA A 53 -17.816 -7.314 -4.746 1.00 0.00 C ATOM 0 H ALA A 53 -15.843 -8.082 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.385 -7.816 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.642 -7.189 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.357 -6.345 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.192 -7.732 -5.679 1.00 0.00 H new ATOM 788 N SER A 54 -17.070 -10.644 -4.515 1.00 0.00 N ATOM 789 CA SER A 54 -17.621 -11.971 -4.261 1.00 0.00 C ATOM 790 C SER A 54 -16.771 -12.743 -3.253 1.00 0.00 C ATOM 791 O SER A 54 -17.084 -13.884 -2.911 1.00 0.00 O ATOM 792 CB SER A 54 -17.719 -12.760 -5.566 1.00 0.00 C ATOM 793 OG SER A 54 -18.666 -12.180 -6.445 1.00 0.00 O ATOM 0 H SER A 54 -16.403 -10.604 -5.286 1.00 0.00 H new ATOM 0 HA SER A 54 -18.618 -11.843 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.742 -12.792 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.002 -13.790 -5.351 1.00 0.00 H new ATOM 0 HG SER A 54 -18.708 -12.703 -7.273 1.00 0.00 H new ATOM 799 N SER A 55 -15.697 -12.116 -2.776 1.00 0.00 N ATOM 800 CA SER A 55 -14.812 -12.747 -1.808 1.00 0.00 C ATOM 801 C SER A 55 -14.995 -12.128 -0.430 1.00 0.00 C ATOM 802 O SER A 55 -14.678 -10.959 -0.216 1.00 0.00 O ATOM 803 CB SER A 55 -13.355 -12.611 -2.253 1.00 0.00 C ATOM 804 OG SER A 55 -13.103 -13.379 -3.417 1.00 0.00 O ATOM 0 H SER A 55 -15.422 -11.172 -3.046 1.00 0.00 H new ATOM 0 HA SER A 55 -15.067 -13.805 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.128 -11.563 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.694 -12.936 -1.449 1.00 0.00 H new ATOM 0 HG SER A 55 -12.165 -13.274 -3.682 1.00 0.00 H new ATOM 810 N GLU A 56 -15.502 -12.925 0.503 1.00 0.00 N ATOM 811 CA GLU A 56 -15.721 -12.457 1.866 1.00 0.00 C ATOM 812 C GLU A 56 -14.416 -11.960 2.484 1.00 0.00 C ATOM 813 O GLU A 56 -14.426 -11.220 3.467 1.00 0.00 O ATOM 814 CB GLU A 56 -16.309 -13.578 2.723 1.00 0.00 C ATOM 815 CG GLU A 56 -17.669 -14.061 2.243 1.00 0.00 C ATOM 816 CD GLU A 56 -18.262 -15.128 3.144 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.526 -15.655 4.005 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.462 -15.435 2.989 1.00 0.00 O ATOM 0 H GLU A 56 -15.769 -13.896 0.341 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.427 -11.627 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.616 -14.419 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.399 -13.229 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.353 -13.214 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.574 -14.457 1.232 1.00 0.00 H new ATOM 825 N LYS A 57 -13.295 -12.372 1.899 1.00 0.00 N ATOM 826 CA LYS A 57 -11.984 -11.967 2.391 1.00 0.00 C ATOM 827 C LYS A 57 -11.531 -10.671 1.728 1.00 0.00 C ATOM 828 O LYS A 57 -11.053 -10.675 0.593 1.00 0.00 O ATOM 829 CB LYS A 57 -10.956 -13.071 2.136 1.00 0.00 C ATOM 830 CG LYS A 57 -10.938 -13.566 0.699 1.00 0.00 C ATOM 831 CD LYS A 57 -11.617 -14.921 0.566 1.00 0.00 C ATOM 832 CE LYS A 57 -11.468 -15.482 -0.839 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.034 -16.855 -0.951 1.00 0.00 N ATOM 0 H LYS A 57 -13.269 -12.985 1.085 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.064 -11.796 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.965 -12.700 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.166 -13.911 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.440 -12.842 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.908 -13.639 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.186 -15.618 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.675 -14.825 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.970 -14.823 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.413 -15.501 -1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.913 -17.202 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.538 -17.490 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.047 -16.833 -0.715 1.00 0.00 H new ATOM 847 N MET A 58 -11.685 -9.562 2.444 1.00 0.00 N ATOM 848 CA MET A 58 -11.293 -8.256 1.926 1.00 0.00 C ATOM 849 C MET A 58 -9.783 -8.060 2.034 1.00 0.00 C ATOM 850 O MET A 58 -9.219 -8.111 3.126 1.00 0.00 O ATOM 851 CB MET A 58 -12.017 -7.144 2.688 1.00 0.00 C ATOM 852 CG MET A 58 -13.530 -7.206 2.560 1.00 0.00 C ATOM 853 SD MET A 58 -14.376 -6.603 4.033 1.00 0.00 S ATOM 854 CE MET A 58 -13.793 -7.772 5.260 1.00 0.00 C ATOM 0 H MET A 58 -12.079 -9.541 3.385 1.00 0.00 H new ATOM 0 HA MET A 58 -11.575 -8.210 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.747 -7.202 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.669 -6.178 2.322 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.842 -6.615 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.833 -8.235 2.367 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.613 -8.038 5.928 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.425 -8.669 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.986 -7.321 5.838 1.00 0.00 H new ATOM 864 N MET A 59 -9.137 -7.840 0.893 1.00 0.00 N ATOM 865 CA MET A 59 -7.694 -7.640 0.862 1.00 0.00 C ATOM 866 C MET A 59 -7.290 -6.748 -0.310 1.00 0.00 C ATOM 867 O MET A 59 -7.788 -6.910 -1.424 1.00 0.00 O ATOM 868 CB MET A 59 -6.976 -8.988 0.759 1.00 0.00 C ATOM 869 CG MET A 59 -7.335 -9.955 1.875 1.00 0.00 C ATOM 870 SD MET A 59 -6.317 -11.442 1.858 1.00 0.00 S ATOM 871 CE MET A 59 -4.757 -10.793 2.451 1.00 0.00 C ATOM 0 H MET A 59 -9.590 -7.796 -0.020 1.00 0.00 H new ATOM 0 HA MET A 59 -7.402 -7.146 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.218 -9.447 -0.200 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.899 -8.818 0.769 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.222 -9.453 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.384 -10.236 1.783 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.043 -11.609 2.563 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.369 -10.067 1.736 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.908 -10.307 3.415 1.00 0.00 H new ATOM 881 N LEU A 60 -6.384 -5.811 -0.050 1.00 0.00 N ATOM 882 CA LEU A 60 -5.913 -4.898 -1.085 1.00 0.00 C ATOM 883 C LEU A 60 -4.430 -5.120 -1.362 1.00 0.00 C ATOM 884 O LEU A 60 -3.589 -4.932 -0.483 1.00 0.00 O ATOM 885 CB LEU A 60 -6.152 -3.447 -0.664 1.00 0.00 C ATOM 886 CG LEU A 60 -5.842 -2.402 -1.736 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.951 -2.359 -2.776 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.648 -1.032 -1.103 1.00 0.00 C ATOM 0 H LEU A 60 -5.962 -5.664 0.867 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.474 -5.099 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.194 -3.339 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.543 -3.235 0.215 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.915 -2.684 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.713 -1.610 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.043 -3.336 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.893 -2.101 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.428 -0.300 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.558 -0.742 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.819 -1.072 -0.397 1.00 0.00 H new ATOM 900 N ARG A 61 -4.115 -5.524 -2.589 1.00 0.00 N ATOM 901 CA ARG A 61 -2.733 -5.775 -2.979 1.00 0.00 C ATOM 902 C ARG A 61 -2.193 -4.640 -3.840 1.00 0.00 C ATOM 903 O ARG A 61 -2.836 -4.213 -4.799 1.00 0.00 O ATOM 904 CB ARG A 61 -2.626 -7.100 -3.736 1.00 0.00 C ATOM 905 CG ARG A 61 -1.196 -7.538 -3.998 1.00 0.00 C ATOM 906 CD ARG A 61 -1.143 -8.775 -4.880 1.00 0.00 C ATOM 907 NE ARG A 61 0.209 -9.315 -4.987 1.00 0.00 N ATOM 908 CZ ARG A 61 0.485 -10.540 -5.428 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.493 -11.354 -5.804 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.745 -10.952 -5.495 1.00 0.00 N ATOM 0 H ARG A 61 -4.798 -5.684 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.133 -5.833 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.136 -7.876 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.149 -7.008 -4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.648 -6.726 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.699 -7.744 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.807 -9.538 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.514 -8.527 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 61 0.988 -8.719 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.463 -11.042 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.275 -12.292 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.501 -10.330 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.957 -11.891 -5.833 1.00 0.00 H new ATOM 924 N LEU A 62 -1.007 -4.156 -3.491 1.00 0.00 N ATOM 925 CA LEU A 62 -0.374 -3.072 -4.232 1.00 0.00 C ATOM 926 C LEU A 62 0.925 -3.541 -4.873 1.00 0.00 C ATOM 927 O LEU A 62 1.779 -4.131 -4.214 1.00 0.00 O ATOM 928 CB LEU A 62 -0.108 -1.881 -3.308 1.00 0.00 C ATOM 929 CG LEU A 62 -1.028 -0.682 -3.529 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.453 -1.021 -3.117 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.523 0.528 -2.759 1.00 0.00 C ATOM 0 H LEU A 62 -0.464 -4.498 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.054 -2.758 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.207 -2.212 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.925 -1.559 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.026 -0.438 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.095 -0.155 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.814 -1.859 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.472 -1.292 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.191 1.372 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.495 0.296 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.480 0.784 -3.101 1.00 0.00 H new ATOM 943 N ILE A 63 1.063 -3.275 -6.166 1.00 0.00 N ATOM 944 CA ILE A 63 2.257 -3.671 -6.902 1.00 0.00 C ATOM 945 C ILE A 63 3.161 -2.478 -7.175 1.00 0.00 C ATOM 946 O ILE A 63 2.712 -1.445 -7.673 1.00 0.00 O ATOM 947 CB ILE A 63 1.896 -4.341 -8.240 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.829 -5.415 -8.022 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.137 -4.939 -8.888 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.584 -4.881 -8.096 1.00 0.00 C ATOM 0 H ILE A 63 0.364 -2.787 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 63 2.787 -4.387 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 63 1.492 -3.584 -8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.953 -6.198 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.984 -5.878 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.864 -5.409 -9.833 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.867 -4.151 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.570 -5.686 -8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.290 -5.695 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.726 -4.119 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.757 -4.443 -9.079 1.00 0.00 H new ATOM 962 N GLY A 64 4.439 -2.629 -6.848 1.00 0.00 N ATOM 963 CA GLY A 64 5.391 -1.557 -7.066 1.00 0.00 C ATOM 964 C GLY A 64 5.946 -1.557 -8.478 1.00 0.00 C ATOM 965 O GLY A 64 5.706 -2.490 -9.245 1.00 0.00 O ATOM 0 H GLY A 64 4.833 -3.475 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.908 -0.600 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.212 -1.653 -6.355 1.00 0.00 H new ATOM 1311 N ARG A 86 5.730 -6.102 -4.244 1.00 0.00 N ATOM 1312 CA ARG A 86 4.282 -6.109 -4.071 1.00 0.00 C ATOM 1313 C ARG A 86 3.907 -6.195 -2.596 1.00 0.00 C ATOM 1314 O ARG A 86 4.500 -6.961 -1.837 1.00 0.00 O ATOM 1315 CB ARG A 86 3.661 -7.280 -4.834 1.00 0.00 C ATOM 1316 CG ARG A 86 3.832 -7.183 -6.342 1.00 0.00 C ATOM 1317 CD ARG A 86 3.122 -8.321 -7.057 1.00 0.00 C ATOM 1318 NE ARG A 86 3.435 -8.351 -8.484 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.710 -9.004 -9.388 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.629 -9.681 -9.020 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.065 -8.980 -10.666 1.00 0.00 N ATOM 0 HA ARG A 86 3.892 -5.173 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.110 -8.210 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.598 -7.332 -4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.438 -6.229 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.893 -7.201 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.409 -9.269 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.045 -8.217 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 86 4.258 -7.841 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.350 -9.702 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.077 -10.180 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.894 -8.461 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.509 -9.481 -11.359 1.00 0.00 H new ATOM 1335 N HIS A 87 2.915 -5.405 -2.197 1.00 0.00 N ATOM 1336 CA HIS A 87 2.455 -5.390 -0.813 1.00 0.00 C ATOM 1337 C HIS A 87 1.013 -5.879 -0.719 1.00 0.00 C ATOM 1338 O HIS A 87 0.112 -5.307 -1.332 1.00 0.00 O ATOM 1339 CB HIS A 87 2.565 -3.981 -0.229 1.00 0.00 C ATOM 1340 CG HIS A 87 3.938 -3.642 0.263 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.233 -3.450 1.597 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.100 -3.457 -0.407 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.516 -3.161 1.725 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.065 -3.161 0.524 1.00 0.00 N ATOM 0 H HIS A 87 2.414 -4.766 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 87 3.091 -6.063 -0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.272 -3.257 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.858 -3.882 0.595 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.565 -3.520 2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.242 -3.529 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.029 -2.959 2.654 1.00 0.00 H new ATOM 1353 N MET A 88 0.802 -6.942 0.050 1.00 0.00 N ATOM 1354 CA MET A 88 -0.531 -7.506 0.220 1.00 0.00 C ATOM 1355 C MET A 88 -1.120 -7.115 1.572 1.00 0.00 C ATOM 1356 O MET A 88 -0.531 -7.385 2.618 1.00 0.00 O ATOM 1357 CB MET A 88 -0.484 -9.030 0.093 1.00 0.00 C ATOM 1358 CG MET A 88 -1.857 -9.684 0.103 1.00 0.00 C ATOM 1359 SD MET A 88 -1.769 -11.485 0.064 1.00 0.00 S ATOM 1360 CE MET A 88 -3.503 -11.905 -0.086 1.00 0.00 C ATOM 0 H MET A 88 1.536 -7.429 0.564 1.00 0.00 H new ATOM 0 HA MET A 88 -1.171 -7.103 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.028 -9.294 -0.832 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.109 -9.436 0.912 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.398 -9.370 0.995 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.428 -9.333 -0.756 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.801 -12.527 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.099 -10.992 -0.093 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.666 -12.452 -1.015 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.283 -6.473 1.541 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.950 -6.040 2.764 1.00 0.00 C ATOM 1372 C PHE A 89 -4.266 -6.781 2.967 1.00 0.00 C ATOM 1373 O PHE A 89 -4.858 -7.290 2.016 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.207 -4.535 2.721 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.958 -3.713 2.841 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.401 -3.458 4.082 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.341 -3.197 1.713 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.250 -2.702 4.197 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.190 -2.440 1.821 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.356 -2.192 3.065 1.00 0.00 C ATOM 0 H PHE A 89 -2.783 -6.241 0.683 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.293 -6.271 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.708 -4.286 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.888 -4.267 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.871 -3.854 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.764 -3.389 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.175 -2.510 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.282 -2.043 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.255 -1.600 3.153 1.00 0.00 H new ATOM 1390 N SER A 90 -4.719 -6.830 4.215 1.00 0.00 N ATOM 1391 CA SER A 90 -5.969 -7.500 4.552 1.00 0.00 C ATOM 1392 C SER A 90 -6.909 -6.539 5.273 1.00 0.00 C ATOM 1393 O SER A 90 -6.567 -5.993 6.321 1.00 0.00 O ATOM 1394 CB SER A 90 -5.701 -8.730 5.422 1.00 0.00 C ATOM 1395 OG SER A 90 -4.318 -9.033 5.469 1.00 0.00 O ATOM 0 H SER A 90 -4.238 -6.413 5.011 1.00 0.00 H new ATOM 0 HA SER A 90 -6.444 -7.826 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.071 -8.552 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.250 -9.585 5.027 1.00 0.00 H new ATOM 0 HG SER A 90 -4.175 -9.822 6.033 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.088 -6.326 4.700 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.063 -5.420 5.285 1.00 0.00 C ATOM 1403 C PHE A 91 -10.135 -6.167 6.061 1.00 0.00 C ATOM 1404 O PHE A 91 -10.612 -7.218 5.636 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.720 -4.579 4.192 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.914 -3.377 3.812 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.890 -3.480 2.889 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.179 -2.146 4.386 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.140 -2.375 2.541 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.434 -1.034 4.043 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.413 -1.148 3.117 1.00 0.00 C ATOM 0 H PHE A 91 -8.389 -6.769 3.832 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.530 -4.773 5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.875 -5.199 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.704 -4.256 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.675 -4.436 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.976 -2.054 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.341 -2.468 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.649 -0.078 4.497 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.830 -0.281 2.844 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.524 -5.598 7.193 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.559 -6.186 8.027 1.00 0.00 C ATOM 1423 C ASN A 92 -12.882 -5.451 7.824 1.00 0.00 C ATOM 1424 O ASN A 92 -13.826 -5.631 8.592 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.151 -6.135 9.500 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.929 -6.981 9.792 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.567 -7.862 9.011 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.283 -6.720 10.924 1.00 0.00 N ATOM 0 H ASN A 92 -10.136 -4.727 7.555 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.687 -7.229 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.950 -5.102 9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.982 -6.478 10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.454 -7.259 11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.617 -5.981 11.543 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.943 -4.618 6.782 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.149 -3.861 6.487 1.00 0.00 C ATOM 1437 C ASN A 93 -14.241 -3.523 5.003 1.00 0.00 C ATOM 1438 O ASN A 93 -13.283 -3.036 4.405 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.187 -2.577 7.319 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.888 -2.773 8.649 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -14.343 -2.451 9.704 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.105 -3.303 8.605 1.00 0.00 N ATOM 0 H ASN A 93 -12.172 -4.455 6.135 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.006 -4.483 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.169 -2.231 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.696 -1.796 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.625 -3.458 9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.519 -3.555 7.708 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.406 -3.786 4.417 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.627 -3.509 3.004 1.00 0.00 C ATOM 1451 C ARG A 94 -15.587 -2.010 2.736 1.00 0.00 C ATOM 1452 O ARG A 94 -14.913 -1.550 1.814 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.969 -4.088 2.549 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.019 -5.605 2.581 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.264 -6.137 1.887 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.425 -7.576 2.079 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.220 -8.339 1.333 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.927 -7.806 0.345 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.307 -9.640 1.574 1.00 0.00 N ATOM 0 H ARG A 94 -16.209 -4.190 4.899 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.828 -3.985 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.760 -3.693 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.177 -3.747 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.130 -6.010 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.003 -5.949 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.143 -5.619 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.206 -5.918 0.821 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.897 -8.022 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.863 -6.806 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.535 -8.396 -0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.765 -10.056 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.916 -10.225 1.002 1.00 0.00 H new ATOM 1473 N THR A 95 -16.311 -1.250 3.549 1.00 0.00 N ATOM 1474 CA THR A 95 -16.359 0.183 3.410 1.00 0.00 C ATOM 1475 C THR A 95 -14.990 0.794 3.663 1.00 0.00 C ATOM 1476 O THR A 95 -14.611 1.786 3.040 1.00 0.00 O ATOM 1477 CB THR A 95 -17.380 0.736 4.393 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.306 -0.269 4.769 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.167 1.890 3.842 1.00 0.00 C ATOM 0 H THR A 95 -16.875 -1.616 4.316 1.00 0.00 H new ATOM 0 HA THR A 95 -16.653 0.440 2.392 1.00 0.00 H new ATOM 0 HB THR A 95 -16.801 1.084 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.954 0.104 5.403 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.877 2.237 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.488 2.702 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.708 1.569 2.952 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.254 0.188 4.581 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.922 0.658 4.924 1.00 0.00 C ATOM 1489 C VAL A 96 -11.943 0.391 3.792 1.00 0.00 C ATOM 1490 O VAL A 96 -11.076 1.213 3.500 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.403 0.006 6.224 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.967 0.428 6.508 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.305 0.362 7.395 1.00 0.00 C ATOM 0 H VAL A 96 -14.558 -0.633 5.104 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.996 1.733 5.086 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.418 -1.076 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.624 -0.044 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.327 0.119 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.921 1.512 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.924 -0.106 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.323 1.444 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.315 0.003 7.198 1.00 0.00 H new ATOM 1503 N MET A 97 -12.093 -0.758 3.154 1.00 0.00 N ATOM 1504 CA MET A 97 -11.218 -1.119 2.045 1.00 0.00 C ATOM 1505 C MET A 97 -11.556 -0.296 0.809 1.00 0.00 C ATOM 1506 O MET A 97 -10.679 0.034 0.011 1.00 0.00 O ATOM 1507 CB MET A 97 -11.325 -2.613 1.731 1.00 0.00 C ATOM 1508 CG MET A 97 -12.683 -3.028 1.198 1.00 0.00 C ATOM 1509 SD MET A 97 -12.642 -4.625 0.359 1.00 0.00 S ATOM 1510 CE MET A 97 -11.505 -4.274 -0.980 1.00 0.00 C ATOM 0 H MET A 97 -12.805 -1.453 3.380 1.00 0.00 H new ATOM 0 HA MET A 97 -10.191 -0.902 2.340 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.561 -2.877 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.110 -3.182 2.636 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.394 -3.073 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.045 -2.268 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.876 -4.725 -1.900 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.421 -3.195 -1.113 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.525 -4.688 -0.743 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.834 0.036 0.659 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.286 0.826 -0.475 1.00 0.00 C ATOM 1522 C ASP A 98 -12.891 2.287 -0.308 1.00 0.00 C ATOM 1523 O ASP A 98 -12.671 2.999 -1.287 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.802 0.706 -0.644 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.292 1.330 -1.935 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.453 1.611 -2.817 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.517 1.539 -2.066 1.00 0.00 O ATOM 0 H ASP A 98 -13.573 -0.231 1.310 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.802 0.437 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.085 -0.346 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.298 1.187 0.199 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.799 2.723 0.941 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.426 4.097 1.241 1.00 0.00 C ATOM 1534 C ASN A 99 -10.945 4.320 0.970 1.00 0.00 C ATOM 1535 O ASN A 99 -10.529 5.406 0.563 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.750 4.435 2.698 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.243 4.497 2.958 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.042 4.612 2.029 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.625 4.421 4.227 1.00 0.00 N ATOM 0 H ASN A 99 -12.978 2.145 1.762 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.003 4.756 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.301 3.686 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.299 5.393 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.616 4.457 4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.927 4.326 4.965 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.159 3.279 1.196 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.721 3.338 0.980 1.00 0.00 C ATOM 1548 C ILE A 100 -8.373 3.020 -0.473 1.00 0.00 C ATOM 1549 O ILE A 100 -7.535 3.684 -1.083 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.977 2.352 1.904 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.298 2.649 3.370 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.478 2.415 1.659 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.781 3.991 3.844 1.00 0.00 C ATOM 0 H ILE A 100 -10.496 2.376 1.531 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.403 4.354 1.213 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.316 1.342 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.378 2.615 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.870 1.864 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.971 1.712 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.268 2.154 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.119 3.425 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.045 4.133 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.697 4.022 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.228 4.785 3.246 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.019 1.995 -1.018 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.775 1.585 -2.395 1.00 0.00 C ATOM 1567 C LYS A 101 -9.077 2.720 -3.369 1.00 0.00 C ATOM 1568 O LYS A 101 -8.429 2.848 -4.407 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.625 0.362 -2.742 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.383 -0.166 -4.147 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.158 -1.449 -4.399 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.647 -1.180 -4.548 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.959 -0.463 -5.816 1.00 0.00 N ATOM 0 H LYS A 101 -9.715 1.434 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.720 1.327 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.417 -0.431 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.679 0.620 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.678 0.588 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.318 -0.348 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.782 -1.931 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.993 -2.143 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.191 -2.124 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.995 -0.588 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.982 -0.507 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.664 0.531 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.449 -0.912 -6.603 1.00 0.00 H new ATOM 1587 N MET A 102 -10.070 3.539 -3.032 1.00 0.00 N ATOM 1588 CA MET A 102 -10.458 4.655 -3.887 1.00 0.00 C ATOM 1589 C MET A 102 -9.520 5.839 -3.714 1.00 0.00 C ATOM 1590 O MET A 102 -9.117 6.474 -4.689 1.00 0.00 O ATOM 1591 CB MET A 102 -11.897 5.079 -3.588 1.00 0.00 C ATOM 1592 CG MET A 102 -12.936 4.063 -4.036 1.00 0.00 C ATOM 1593 SD MET A 102 -14.622 4.592 -3.682 1.00 0.00 S ATOM 1594 CE MET A 102 -14.765 6.013 -4.763 1.00 0.00 C ATOM 0 H MET A 102 -10.618 3.451 -2.176 1.00 0.00 H new ATOM 0 HA MET A 102 -10.391 4.319 -4.922 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.003 5.246 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.096 6.031 -4.080 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.831 3.890 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.746 3.112 -3.539 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.818 6.257 -4.906 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.253 6.864 -4.315 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.311 5.784 -5.727 1.00 0.00 H new ATOM 1604 N THR A 103 -9.177 6.130 -2.473 1.00 0.00 N ATOM 1605 CA THR A 103 -8.286 7.241 -2.172 1.00 0.00 C ATOM 1606 C THR A 103 -6.889 6.970 -2.721 1.00 0.00 C ATOM 1607 O THR A 103 -6.224 7.871 -3.230 1.00 0.00 O ATOM 1608 CB THR A 103 -8.234 7.499 -0.659 1.00 0.00 C ATOM 1609 OG1 THR A 103 -7.892 8.846 -0.394 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.244 6.624 0.082 1.00 0.00 C ATOM 0 H THR A 103 -9.501 5.614 -1.655 1.00 0.00 H new ATOM 0 HA THR A 103 -8.677 8.136 -2.656 1.00 0.00 H new ATOM 0 HB THR A 103 -9.235 7.259 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.865 8.992 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.267 6.867 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.510 5.576 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.241 6.798 -0.308 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.455 5.718 -2.620 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.144 5.326 -3.115 1.00 0.00 C ATOM 1620 C LEU A 104 -5.093 5.428 -4.634 1.00 0.00 C ATOM 1621 O LEU A 104 -4.060 5.768 -5.207 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.812 3.898 -2.674 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.493 3.736 -1.186 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.277 2.271 -0.844 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.269 4.560 -0.813 1.00 0.00 C ATOM 0 H LEU A 104 -6.993 4.960 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.403 6.006 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.655 3.253 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.959 3.544 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.342 4.100 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.051 2.175 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.180 1.706 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.444 1.880 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.055 4.434 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.413 4.225 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.461 5.612 -1.022 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.219 5.136 -5.281 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.296 5.204 -6.735 1.00 0.00 C ATOM 1639 C GLN A 105 -6.160 6.640 -7.216 1.00 0.00 C ATOM 1640 O GLN A 105 -5.615 6.900 -8.288 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.612 4.603 -7.231 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.603 3.084 -7.290 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.957 2.506 -7.652 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -9.806 2.297 -6.785 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.166 2.245 -8.936 1.00 0.00 N ATOM 0 H GLN A 105 -7.085 4.852 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.470 4.623 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.420 4.928 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.830 4.996 -8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.865 2.757 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.290 2.689 -6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.434 2.434 -9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.059 1.855 -9.238 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.653 7.569 -6.411 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.580 8.983 -6.749 1.00 0.00 C ATOM 1656 C GLN A 106 -5.131 9.447 -6.773 1.00 0.00 C ATOM 1657 O GLN A 106 -4.725 10.200 -7.657 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.385 9.818 -5.751 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.883 9.557 -5.808 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.651 10.351 -4.771 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.075 10.867 -3.813 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.963 10.452 -4.958 1.00 0.00 N ATOM 0 H GLN A 106 -7.108 7.370 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.009 9.121 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.026 9.610 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.201 10.875 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.255 9.808 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.069 8.494 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.399 10.008 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.534 10.973 -4.293 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.348 8.973 -5.808 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.939 9.326 -5.735 1.00 0.00 C ATOM 1673 C ILE A 107 -2.236 8.918 -7.026 1.00 0.00 C ATOM 1674 O ILE A 107 -1.445 9.675 -7.587 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.253 8.645 -4.535 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.893 9.112 -3.226 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.759 8.935 -4.537 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.660 8.168 -2.068 1.00 0.00 C ATOM 0 H ILE A 107 -4.667 8.346 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.868 10.405 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.389 7.567 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.498 10.095 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.966 9.230 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.292 8.446 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.316 8.556 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.597 10.011 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.142 8.563 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.080 7.191 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.589 8.069 -1.889 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.557 7.719 -7.498 1.00 0.00 N ATOM 1691 CA ILE A 108 -1.989 7.198 -8.738 1.00 0.00 C ATOM 1692 C ILE A 108 -2.180 8.195 -9.860 1.00 0.00 C ATOM 1693 O ILE A 108 -1.241 8.569 -10.564 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.670 5.882 -9.160 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.874 4.957 -7.960 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.861 5.196 -10.244 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.654 4.817 -7.078 1.00 0.00 C ATOM 0 H ILE A 108 -3.211 7.086 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.930 7.019 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.655 6.120 -9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.702 5.334 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.165 3.970 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.353 4.267 -10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.785 5.852 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.862 4.975 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.879 4.145 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.828 4.410 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.374 5.795 -6.686 1.00 0.00 H new ATOM 1709 N SER A 109 -3.421 8.609 -10.010 1.00 0.00 N ATOM 1710 CA SER A 109 -3.804 9.566 -11.043 1.00 0.00 C ATOM 1711 C SER A 109 -2.946 10.824 -10.977 1.00 0.00 C ATOM 1712 O SER A 109 -2.699 11.475 -11.993 1.00 0.00 O ATOM 1713 CB SER A 109 -5.282 9.936 -10.903 1.00 0.00 C ATOM 1714 OG SER A 109 -6.103 8.781 -10.928 1.00 0.00 O ATOM 0 H SER A 109 -4.195 8.296 -9.424 1.00 0.00 H new ATOM 0 HA SER A 109 -3.642 9.093 -12.012 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.438 10.476 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.570 10.608 -11.712 1.00 0.00 H new ATOM 0 HG SER A 109 -7.042 9.045 -10.835 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.493 11.159 -9.778 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.663 12.339 -9.579 1.00 0.00 C ATOM 1722 C ARG A 110 -0.273 12.129 -10.161 1.00 0.00 C ATOM 1723 O ARG A 110 0.349 13.063 -10.668 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.564 12.686 -8.092 1.00 0.00 C ATOM 1725 CG ARG A 110 -2.908 12.975 -7.444 1.00 0.00 C ATOM 1726 CD ARG A 110 -2.745 13.442 -6.007 1.00 0.00 C ATOM 1727 NE ARG A 110 -2.154 14.776 -5.930 1.00 0.00 N ATOM 1728 CZ ARG A 110 -2.223 15.557 -4.854 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -2.857 15.141 -3.763 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.658 16.756 -4.867 1.00 0.00 N ATOM 0 H ARG A 110 -2.686 10.630 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.134 13.172 -10.101 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.086 11.860 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.918 13.556 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.433 13.738 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.525 12.077 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.717 13.447 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.117 12.735 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.659 15.130 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.294 14.219 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.907 15.743 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.170 17.081 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.711 17.354 -4.042 1.00 0.00 H new ATOM 1744 N TYR A 111 0.205 10.896 -10.089 1.00 0.00 N ATOM 1745 CA TYR A 111 1.521 10.555 -10.615 1.00 0.00 C ATOM 1746 C TYR A 111 1.492 10.499 -12.136 1.00 0.00 C ATOM 1747 O TYR A 111 2.480 10.807 -12.802 1.00 0.00 O ATOM 1748 CB TYR A 111 1.995 9.218 -10.048 1.00 0.00 C ATOM 1749 CG TYR A 111 2.481 9.304 -8.619 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.722 9.851 -8.319 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.699 8.837 -7.570 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.170 9.931 -7.015 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.139 8.915 -6.263 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.375 9.461 -5.990 1.00 0.00 C ATOM 1755 OH TYR A 111 3.818 9.541 -4.690 1.00 0.00 O ATOM 0 H TYR A 111 -0.298 10.113 -9.671 1.00 0.00 H new ATOM 0 HA TYR A 111 2.222 11.332 -10.309 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.177 8.500 -10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.800 8.832 -10.674 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.347 10.220 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.731 8.406 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.138 10.359 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.518 8.550 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 111 3.139 9.168 -4.090 1.00 0.00 H new ATOM 1765 N LYS A 112 0.347 10.105 -12.674 1.00 0.00 N ATOM 1766 CA LYS A 112 0.168 10.005 -14.113 1.00 0.00 C ATOM 1767 C LYS A 112 0.024 11.388 -14.739 1.00 0.00 C ATOM 1768 O LYS A 112 0.432 11.610 -15.879 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.060 9.153 -14.437 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.871 7.677 -14.125 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.141 7.060 -13.557 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.247 7.001 -14.599 1.00 0.00 C ATOM 1773 NZ LYS A 112 -2.831 6.237 -15.807 1.00 0.00 N ATOM 0 H LYS A 112 -0.477 9.848 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 112 1.053 9.527 -14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.913 9.530 -13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.302 9.265 -15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.582 7.146 -15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.056 7.556 -13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.927 6.054 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.478 7.643 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.132 6.537 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.527 8.014 -14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.674 5.957 -16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.220 6.833 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.308 5.387 -15.517 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.557 12.316 -13.984 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.754 13.679 -14.465 1.00 0.00 C ATOM 1789 C ASP A 113 0.579 14.330 -14.816 1.00 0.00 C ATOM 1790 O ASP A 113 0.681 15.074 -15.792 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.481 14.515 -13.411 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.903 14.042 -13.174 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -3.426 13.288 -14.023 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.492 14.425 -12.142 1.00 0.00 O ATOM 0 H ASP A 113 -0.899 12.149 -13.038 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.365 13.634 -15.367 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.927 14.474 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.496 15.558 -13.726 1.00 0.00 H new ATOM 1799 N ALA A 114 1.600 14.047 -14.014 1.00 0.00 N ATOM 1800 CA ALA A 114 2.928 14.605 -14.239 1.00 0.00 C ATOM 1801 C ALA A 114 3.493 14.154 -15.582 1.00 0.00 C ATOM 1802 O ALA A 114 4.228 14.892 -16.237 1.00 0.00 O ATOM 1803 CB ALA A 114 3.864 14.207 -13.110 1.00 0.00 C ATOM 0 H ALA A 114 1.533 13.434 -13.202 1.00 0.00 H new ATOM 0 HA ALA A 114 2.841 15.691 -14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.852 14.630 -13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.475 14.584 -12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.937 13.120 -13.064 1.00 0.00 H new ATOM 1809 N ASP A 115 3.145 12.935 -15.985 1.00 0.00 N ATOM 1810 CA ASP A 115 3.616 12.385 -17.250 1.00 0.00 C ATOM 1811 C ASP A 115 2.463 11.778 -18.044 1.00 0.00 C ATOM 1812 O ASP A 115 1.959 10.712 -17.631 1.00 0.00 O ATOM 1813 CB ASP A 115 4.692 11.327 -17.000 1.00 0.00 C ATOM 1814 CG ASP A 115 5.951 11.913 -16.391 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.121 13.150 -16.453 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.767 11.137 -15.852 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.075 12.373 -19.071 1.00 0.00 O ATOM 0 H ASP A 115 2.539 12.310 -15.453 1.00 0.00 H new ATOM 0 HA ASP A 115 4.045 13.199 -17.834 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.295 10.559 -16.337 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.941 10.837 -17.941 1.00 0.00 H new