USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -176:sc= 0.737 USER MOD Set 1.2: A 28 SER OG : rot -60:sc= 0.831 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.934 (180deg=0.924) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.896) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.837) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -64:sc= 0.847 USER MOD Single : A 29 SER OG : rot 163:sc= 0.905 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0.983 (180deg=0.821) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.904 (180deg=0.373) USER MOD Single : A 35 HIS : no HE2:sc= 0.776 K(o=0.78,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -118:sc= 0 (180deg=-0.2) USER MOD Single : A 46 GLN : amide:sc= 0.871 K(o=0.87,f=-0.00014) USER MOD Single : A 48 TYR OH : rot -15:sc= 0.669 USER MOD Single : A 49 TYR OH : rot 120:sc= 1.22 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.494 K(o=-0.49,f=-13!) USER MOD Single : A 62 ASN : amide:sc= 1.11 K(o=1.1,f=-6.1!) USER MOD Single : A 64 TYR OH : rot 50:sc= 0.15 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 70 SER OG : rot 58:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.183 15.035 8.896 1.00 0.00 N ATOM 38 CA ARG A 4 -5.874 13.636 9.166 1.00 0.00 C ATOM 39 C ARG A 4 -5.929 12.810 7.884 1.00 0.00 C ATOM 40 O ARG A 4 -6.147 11.598 7.923 1.00 0.00 O ATOM 41 CB ARG A 4 -6.765 13.047 10.250 1.00 0.00 C ATOM 42 CG ARG A 4 -6.696 13.761 11.591 1.00 0.00 C ATOM 43 CD ARG A 4 -7.634 13.233 12.614 1.00 0.00 C ATOM 44 NE ARG A 4 -7.683 14.007 13.843 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.478 13.725 14.895 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.314 12.712 14.858 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.409 14.508 15.957 1.00 0.00 N ATOM 0 HA ARG A 4 -4.854 13.598 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.797 13.061 9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.492 12.002 10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.679 13.689 11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.904 14.820 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.635 13.193 12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.349 12.209 12.856 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.073 14.821 13.915 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.368 12.126 14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.909 12.512 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.767 15.300 15.966 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.998 14.320 16.768 1.00 0.00 H new ATOM 61 N LYS A 5 -5.731 13.473 6.750 1.00 0.00 N ATOM 62 CA LYS A 5 -5.607 12.782 5.472 1.00 0.00 C ATOM 63 C LYS A 5 -4.152 12.733 5.019 1.00 0.00 C ATOM 64 O LYS A 5 -3.390 13.675 5.241 1.00 0.00 O ATOM 65 CB LYS A 5 -6.469 13.465 4.407 1.00 0.00 C ATOM 66 CG LYS A 5 -7.956 13.504 4.733 1.00 0.00 C ATOM 67 CD LYS A 5 -8.561 12.107 4.724 1.00 0.00 C ATOM 68 CE LYS A 5 -10.075 12.158 4.873 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.671 10.798 4.973 1.00 0.00 N ATOM 0 H LYS A 5 -5.653 14.488 6.690 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.960 11.759 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.113 14.486 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.331 12.947 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.104 13.960 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.473 14.131 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.302 11.602 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.133 11.518 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.333 12.733 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.506 12.681 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.707 10.876 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.405 10.240 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.318 10.327 5.830 1.00 0.00 H new ATOM 83 N ILE A 6 -3.772 11.630 4.383 1.00 0.00 N ATOM 84 CA ILE A 6 -2.414 11.468 3.878 1.00 0.00 C ATOM 85 C ILE A 6 -2.415 10.871 2.475 1.00 0.00 C ATOM 86 O ILE A 6 -3.321 10.122 2.109 1.00 0.00 O ATOM 87 CB ILE A 6 -1.570 10.576 4.807 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.223 9.200 4.964 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.387 11.241 6.162 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.392 8.216 5.756 1.00 0.00 C ATOM 0 H ILE A 6 -4.386 10.835 4.205 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.970 12.463 3.844 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.586 10.440 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.190 9.321 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.416 8.785 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.788 10.597 6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.880 12.197 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.362 11.407 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.921 7.265 5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.435 8.064 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.221 8.608 6.758 1.00 0.00 H new ATOM 102 N HIS A 7 -1.393 11.206 1.695 1.00 0.00 N ATOM 103 CA HIS A 7 -1.198 10.591 0.386 1.00 0.00 C ATOM 104 C HIS A 7 -0.099 9.535 0.439 1.00 0.00 C ATOM 105 O HIS A 7 0.872 9.669 1.186 1.00 0.00 O ATOM 106 CB HIS A 7 -0.856 11.651 -0.667 1.00 0.00 C ATOM 107 CG HIS A 7 -1.973 12.612 -0.936 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.010 12.324 -1.798 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.213 13.857 -0.459 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.842 13.350 -1.840 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.380 14.292 -1.037 1.00 0.00 N ATOM 0 H HIS A 7 -0.688 11.899 1.945 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.132 10.106 0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.020 12.209 -0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.585 11.152 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.602 14.404 0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.745 13.408 -2.430 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.820 15.197 -0.873 1.00 0.00 H new ATOM 118 N VAL A 8 -0.260 8.481 -0.356 1.00 0.00 N ATOM 119 CA VAL A 8 0.740 7.422 -0.432 1.00 0.00 C ATOM 120 C VAL A 8 1.200 7.204 -1.869 1.00 0.00 C ATOM 121 O VAL A 8 0.383 7.075 -2.782 1.00 0.00 O ATOM 122 CB VAL A 8 0.203 6.094 0.133 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.256 5.003 0.023 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.233 6.268 1.580 1.00 0.00 C ATOM 0 H VAL A 8 -1.073 8.338 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 8 1.587 7.745 0.173 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.665 5.796 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.859 4.072 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.523 4.859 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.142 5.294 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.610 5.320 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.618 6.589 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.020 7.020 1.635 1.00 0.00 H new ATOM 134 N THR A 9 2.514 7.162 -2.065 1.00 0.00 N ATOM 135 CA THR A 9 3.083 6.916 -3.383 1.00 0.00 C ATOM 136 C THR A 9 3.225 5.422 -3.651 1.00 0.00 C ATOM 137 O THR A 9 3.932 4.716 -2.930 1.00 0.00 O ATOM 138 CB THR A 9 4.461 7.588 -3.538 1.00 0.00 C ATOM 139 OG1 THR A 9 4.321 9.007 -3.392 1.00 0.00 O ATOM 140 CG2 THR A 9 5.054 7.279 -4.904 1.00 0.00 C ATOM 0 H THR A 9 3.204 7.295 -1.326 1.00 0.00 H new ATOM 0 HA THR A 9 2.394 7.349 -4.108 1.00 0.00 H new ATOM 0 HB THR A 9 5.127 7.200 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.198 9.434 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.027 7.762 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.172 6.201 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.389 7.653 -5.682 1.00 0.00 H new ATOM 148 N VAL A 10 2.548 4.944 -4.690 1.00 0.00 N ATOM 149 CA VAL A 10 2.544 3.522 -5.012 1.00 0.00 C ATOM 150 C VAL A 10 3.522 3.211 -6.139 1.00 0.00 C ATOM 151 O VAL A 10 3.323 3.628 -7.280 1.00 0.00 O ATOM 152 CB VAL A 10 1.138 3.038 -5.414 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.132 1.530 -5.615 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.115 3.438 -4.362 1.00 0.00 C ATOM 0 H VAL A 10 1.995 5.521 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 10 2.854 2.993 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 10 0.867 3.514 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.131 1.205 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.837 1.265 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.424 1.038 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.872 3.088 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.383 2.990 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.100 4.523 -4.263 1.00 0.00 H new ATOM 164 N LYS A 11 4.578 2.473 -5.814 1.00 0.00 N ATOM 165 CA LYS A 11 5.648 2.204 -6.767 1.00 0.00 C ATOM 166 C LYS A 11 5.566 0.773 -7.287 1.00 0.00 C ATOM 167 O LYS A 11 5.679 -0.184 -6.522 1.00 0.00 O ATOM 168 CB LYS A 11 7.014 2.456 -6.127 1.00 0.00 C ATOM 169 CG LYS A 11 7.262 3.904 -5.726 1.00 0.00 C ATOM 170 CD LYS A 11 8.658 4.086 -5.147 1.00 0.00 C ATOM 171 CE LYS A 11 8.887 5.521 -4.693 1.00 0.00 C ATOM 172 NZ LYS A 11 10.280 5.737 -4.217 1.00 0.00 N ATOM 0 H LYS A 11 4.716 2.050 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 11 5.526 2.884 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.110 1.825 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.792 2.147 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.139 4.550 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.518 4.213 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.795 3.409 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.402 3.816 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.676 6.201 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.188 5.764 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.343 6.655 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.543 4.978 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.929 5.730 -5.029 1.00 0.00 H new ATOM 186 N PHE A 12 5.371 0.634 -8.595 1.00 0.00 N ATOM 187 CA PHE A 12 5.568 -0.647 -9.265 1.00 0.00 C ATOM 188 C PHE A 12 6.871 -0.650 -10.058 1.00 0.00 C ATOM 189 O PHE A 12 7.464 0.393 -10.333 1.00 0.00 O ATOM 190 CB PHE A 12 4.387 -0.955 -10.187 1.00 0.00 C ATOM 191 CG PHE A 12 3.077 -1.104 -9.466 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.694 -2.329 -8.940 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.227 -0.020 -9.309 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.490 -2.468 -8.278 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.023 -0.155 -8.647 1.00 0.00 C ATOM 196 CZ PHE A 12 0.653 -1.380 -8.130 1.00 0.00 C ATOM 0 H PHE A 12 5.077 1.392 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 12 5.629 -1.423 -8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.296 -0.158 -10.925 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.596 -1.874 -10.735 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.345 -3.184 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.510 0.942 -9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.203 -3.428 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.371 0.698 -8.534 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.288 -1.487 -7.611 1.00 0.00 H new ATOM 206 N PRO A 13 7.329 -1.854 -10.434 1.00 0.00 N ATOM 207 CA PRO A 13 8.601 -2.031 -11.142 1.00 0.00 C ATOM 208 C PRO A 13 8.694 -1.164 -12.392 1.00 0.00 C ATOM 209 O PRO A 13 9.763 -0.651 -12.726 1.00 0.00 O ATOM 210 CB PRO A 13 8.631 -3.525 -11.482 1.00 0.00 C ATOM 211 CG PRO A 13 7.835 -4.168 -10.400 1.00 0.00 C ATOM 212 CD PRO A 13 6.724 -3.198 -10.090 1.00 0.00 C ATOM 0 HA PRO A 13 9.453 -1.722 -10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.197 -3.718 -12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.652 -3.907 -11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.438 -5.130 -10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.449 -4.356 -9.519 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.834 -3.403 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.426 -3.249 -9.043 1.00 0.00 H new ATOM 220 N SER A 14 7.568 -1.002 -13.080 1.00 0.00 N ATOM 221 CA SER A 14 7.563 -0.404 -14.410 1.00 0.00 C ATOM 222 C SER A 14 6.652 0.819 -14.451 1.00 0.00 C ATOM 223 O SER A 14 6.575 1.517 -15.462 1.00 0.00 O ATOM 224 CB SER A 14 7.128 -1.425 -15.442 1.00 0.00 C ATOM 225 OG SER A 14 5.823 -1.882 -15.214 1.00 0.00 O ATOM 0 H SER A 14 6.647 -1.277 -12.738 1.00 0.00 H new ATOM 0 HA SER A 14 8.577 -0.079 -14.645 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.188 -0.983 -16.436 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.816 -2.271 -15.427 1.00 0.00 H new ATOM 0 HG SER A 14 5.581 -2.537 -15.902 1.00 0.00 H new ATOM 231 N LYS A 15 5.965 1.075 -13.343 1.00 0.00 N ATOM 232 CA LYS A 15 4.940 2.111 -13.300 1.00 0.00 C ATOM 233 C LYS A 15 4.701 2.581 -11.869 1.00 0.00 C ATOM 234 O LYS A 15 5.077 1.903 -10.912 1.00 0.00 O ATOM 235 CB LYS A 15 3.635 1.603 -13.913 1.00 0.00 C ATOM 236 CG LYS A 15 2.978 0.467 -13.141 1.00 0.00 C ATOM 237 CD LYS A 15 1.730 -0.037 -13.851 1.00 0.00 C ATOM 238 CE LYS A 15 1.022 -1.109 -13.036 1.00 0.00 C ATOM 239 NZ LYS A 15 -0.239 -1.558 -13.684 1.00 0.00 N ATOM 0 H LYS A 15 6.100 0.579 -12.462 1.00 0.00 H new ATOM 0 HA LYS A 15 5.295 2.959 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.932 2.434 -13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.832 1.268 -14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.687 -0.352 -13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.716 0.809 -12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.049 0.796 -14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.002 -0.440 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.687 -1.963 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.801 -0.722 -12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.850 -2.013 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.732 -0.737 -14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.018 -2.238 -14.439 1.00 0.00 H new ATOM 253 N GLN A 16 4.073 3.745 -11.729 1.00 0.00 N ATOM 254 CA GLN A 16 3.774 4.297 -10.412 1.00 0.00 C ATOM 255 C GLN A 16 2.411 4.983 -10.409 1.00 0.00 C ATOM 256 O GLN A 16 1.968 5.511 -11.429 1.00 0.00 O ATOM 257 CB GLN A 16 4.857 5.290 -9.986 1.00 0.00 C ATOM 258 CG GLN A 16 6.234 4.674 -9.813 1.00 0.00 C ATOM 259 CD GLN A 16 7.260 5.678 -9.321 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.938 6.841 -9.064 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.505 5.234 -9.191 1.00 0.00 N ATOM 0 H GLN A 16 3.762 4.323 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 16 3.752 3.472 -9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.918 6.085 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.559 5.755 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.172 3.846 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.565 4.257 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.726 4.264 -9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.240 5.863 -8.867 1.00 0.00 H new ATOM 270 N PHE A 17 1.753 4.972 -9.254 1.00 0.00 N ATOM 271 CA PHE A 17 0.511 5.716 -9.076 1.00 0.00 C ATOM 272 C PHE A 17 0.472 6.390 -7.708 1.00 0.00 C ATOM 273 O PHE A 17 1.146 5.959 -6.772 1.00 0.00 O ATOM 274 CB PHE A 17 -0.697 4.792 -9.245 1.00 0.00 C ATOM 275 CG PHE A 17 -0.784 4.149 -10.599 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.347 4.826 -11.670 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.301 2.864 -10.805 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.428 4.236 -12.917 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.380 2.272 -12.051 1.00 0.00 C ATOM 280 CZ PHE A 17 -0.944 2.957 -13.107 1.00 0.00 C ATOM 0 H PHE A 17 2.059 4.457 -8.428 1.00 0.00 H new ATOM 0 HA PHE A 17 0.469 6.491 -9.842 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.655 4.012 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.608 5.363 -9.065 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.727 5.827 -11.528 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.141 2.321 -9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.870 4.775 -13.742 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.000 1.272 -12.198 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.007 2.494 -14.081 1.00 0.00 H new ATOM 290 N THR A 18 -0.321 7.453 -7.601 1.00 0.00 N ATOM 291 CA THR A 18 -0.570 8.093 -6.316 1.00 0.00 C ATOM 292 C THR A 18 -1.970 7.777 -5.805 1.00 0.00 C ATOM 293 O THR A 18 -2.939 7.799 -6.566 1.00 0.00 O ATOM 294 CB THR A 18 -0.399 9.621 -6.403 1.00 0.00 C ATOM 295 OG1 THR A 18 0.941 9.931 -6.807 1.00 0.00 O ATOM 296 CG2 THR A 18 -0.683 10.267 -5.056 1.00 0.00 C ATOM 0 H THR A 18 -0.801 7.888 -8.389 1.00 0.00 H new ATOM 0 HA THR A 18 0.166 7.694 -5.619 1.00 0.00 H new ATOM 0 HB THR A 18 -1.106 10.011 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.049 10.903 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.557 11.347 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.706 10.042 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.010 9.876 -4.311 1.00 0.00 H new ATOM 304 N VAL A 19 -2.073 7.481 -4.513 1.00 0.00 N ATOM 305 CA VAL A 19 -3.363 7.210 -3.891 1.00 0.00 C ATOM 306 C VAL A 19 -3.565 8.069 -2.647 1.00 0.00 C ATOM 307 O VAL A 19 -2.600 8.550 -2.051 1.00 0.00 O ATOM 308 CB VAL A 19 -3.505 5.725 -3.507 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.427 4.846 -4.747 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.433 5.329 -2.506 1.00 0.00 C ATOM 0 H VAL A 19 -1.278 7.423 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.126 7.458 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.480 5.581 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.529 3.800 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.230 5.113 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.466 4.995 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.549 4.277 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.448 5.488 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.532 5.938 -1.607 1.00 0.00 H new ATOM 320 N GLU A 20 -4.821 8.256 -2.260 1.00 0.00 N ATOM 321 CA GLU A 20 -5.149 9.065 -1.091 1.00 0.00 C ATOM 322 C GLU A 20 -5.868 8.229 -0.037 1.00 0.00 C ATOM 323 O GLU A 20 -6.861 7.560 -0.329 1.00 0.00 O ATOM 324 CB GLU A 20 -6.010 10.265 -1.491 1.00 0.00 C ATOM 325 CG GLU A 20 -6.402 11.172 -0.334 1.00 0.00 C ATOM 326 CD GLU A 20 -7.244 12.324 -0.803 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.550 12.376 -1.971 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.677 13.094 0.022 1.00 0.00 O ATOM 0 H GLU A 20 -5.630 7.859 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.216 9.432 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.469 10.854 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.917 9.901 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.952 10.597 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.504 11.551 0.154 1.00 0.00 H new ATOM 335 N VAL A 21 -5.363 8.274 1.192 1.00 0.00 N ATOM 336 CA VAL A 21 -5.926 7.482 2.280 1.00 0.00 C ATOM 337 C VAL A 21 -6.047 8.310 3.553 1.00 0.00 C ATOM 338 O VAL A 21 -5.543 9.431 3.628 1.00 0.00 O ATOM 339 CB VAL A 21 -5.075 6.232 2.570 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.052 5.312 1.359 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.662 6.629 2.964 1.00 0.00 C ATOM 0 H VAL A 21 -4.565 8.850 1.459 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.918 7.165 1.959 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.526 5.694 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.446 4.433 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.069 5.001 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.625 5.842 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.075 5.733 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.201 7.189 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.695 7.250 3.859 1.00 0.00 H new ATOM 351 N ASP A 22 -6.721 7.752 4.553 1.00 0.00 N ATOM 352 CA ASP A 22 -6.850 8.408 5.850 1.00 0.00 C ATOM 353 C ASP A 22 -5.777 7.919 6.815 1.00 0.00 C ATOM 354 O ASP A 22 -5.388 6.750 6.788 1.00 0.00 O ATOM 355 CB ASP A 22 -8.242 8.165 6.440 1.00 0.00 C ATOM 356 CG ASP A 22 -8.600 9.080 7.603 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.935 9.017 8.609 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.430 9.940 7.422 1.00 0.00 O ATOM 0 H ASP A 22 -7.187 6.847 4.491 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.716 9.479 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.984 8.291 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.306 7.130 6.775 1.00 0.00 H new ATOM 363 N ARG A 23 -5.299 8.820 7.666 1.00 0.00 N ATOM 364 CA ARG A 23 -4.212 8.502 8.586 1.00 0.00 C ATOM 365 C ARG A 23 -4.646 7.442 9.595 1.00 0.00 C ATOM 366 O ARG A 23 -3.841 6.620 10.033 1.00 0.00 O ATOM 367 CB ARG A 23 -3.663 9.741 9.279 1.00 0.00 C ATOM 368 CG ARG A 23 -2.502 9.482 10.227 1.00 0.00 C ATOM 369 CD ARG A 23 -1.904 10.710 10.813 1.00 0.00 C ATOM 370 NE ARG A 23 -0.906 10.463 11.840 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.295 11.423 12.560 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.548 12.696 12.345 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.586 11.054 13.473 1.00 0.00 N ATOM 0 H ARG A 23 -5.647 9.776 7.738 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.396 8.090 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.341 10.452 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.470 10.215 9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.846 8.838 11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.726 8.934 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.448 11.294 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.701 11.320 11.238 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.650 9.494 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.216 12.969 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.076 13.410 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.787 10.064 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.065 11.759 14.034 1.00 0.00 H new ATOM 387 N THR A 24 -5.925 7.467 9.958 1.00 0.00 N ATOM 388 CA THR A 24 -6.434 6.606 11.019 1.00 0.00 C ATOM 389 C THR A 24 -6.863 5.252 10.470 1.00 0.00 C ATOM 390 O THR A 24 -7.226 4.352 11.227 1.00 0.00 O ATOM 391 CB THR A 24 -7.626 7.253 11.749 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.718 7.416 10.836 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.233 8.611 12.312 1.00 0.00 C ATOM 0 H THR A 24 -6.627 8.073 9.533 1.00 0.00 H new ATOM 0 HA THR A 24 -5.618 6.466 11.728 1.00 0.00 H new ATOM 0 HB THR A 24 -7.925 6.603 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.463 8.045 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.087 9.054 12.824 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.411 8.488 13.017 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.919 9.265 11.499 1.00 0.00 H new ATOM 401 N GLU A 25 -6.817 5.111 9.149 1.00 0.00 N ATOM 402 CA GLU A 25 -7.196 3.862 8.500 1.00 0.00 C ATOM 403 C GLU A 25 -6.046 2.860 8.531 1.00 0.00 C ATOM 404 O GLU A 25 -4.884 3.236 8.697 1.00 0.00 O ATOM 405 CB GLU A 25 -7.633 4.119 7.056 1.00 0.00 C ATOM 406 CG GLU A 25 -9.024 4.722 6.918 1.00 0.00 C ATOM 407 CD GLU A 25 -10.093 3.696 7.178 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.774 2.532 7.219 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.206 4.082 7.447 1.00 0.00 O ATOM 0 H GLU A 25 -6.521 5.847 8.507 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.035 3.438 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.912 4.787 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.602 3.178 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.134 5.551 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.147 5.132 5.916 1.00 0.00 H new ATOM 416 N THR A 26 -6.377 1.582 8.374 1.00 0.00 N ATOM 417 CA THR A 26 -5.371 0.527 8.366 1.00 0.00 C ATOM 418 C THR A 26 -4.848 0.277 6.957 1.00 0.00 C ATOM 419 O THR A 26 -5.381 0.807 5.982 1.00 0.00 O ATOM 420 CB THR A 26 -5.929 -0.790 8.937 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.020 -1.242 8.125 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.415 -0.588 10.364 1.00 0.00 C ATOM 0 H THR A 26 -7.334 1.253 8.251 1.00 0.00 H new ATOM 0 HA THR A 26 -4.552 0.868 8.999 1.00 0.00 H new ATOM 0 HB THR A 26 -5.133 -1.535 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.414 -2.046 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.806 -1.529 10.752 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.585 -0.256 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.203 0.165 10.377 1.00 0.00 H new ATOM 430 N VAL A 27 -3.800 -0.535 6.855 1.00 0.00 N ATOM 431 CA VAL A 27 -3.163 -0.804 5.572 1.00 0.00 C ATOM 432 C VAL A 27 -4.102 -1.564 4.641 1.00 0.00 C ATOM 433 O VAL A 27 -3.942 -1.533 3.421 1.00 0.00 O ATOM 434 CB VAL A 27 -1.862 -1.610 5.745 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.860 -0.831 6.583 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.152 -2.960 6.383 1.00 0.00 C ATOM 0 H VAL A 27 -3.374 -1.018 7.646 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.923 0.163 5.130 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.429 -1.780 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.053 -1.416 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.628 0.113 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.286 -0.631 7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.221 -3.516 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.608 -2.810 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.835 -3.523 5.748 1.00 0.00 H new ATOM 446 N SER A 28 -5.082 -2.246 5.226 1.00 0.00 N ATOM 447 CA SER A 28 -6.041 -3.024 4.449 1.00 0.00 C ATOM 448 C SER A 28 -6.884 -2.115 3.560 1.00 0.00 C ATOM 449 O SER A 28 -7.327 -2.520 2.484 1.00 0.00 O ATOM 450 CB SER A 28 -6.929 -3.834 5.373 1.00 0.00 C ATOM 451 OG SER A 28 -7.812 -3.024 6.098 1.00 0.00 O ATOM 0 H SER A 28 -5.233 -2.276 6.234 1.00 0.00 H new ATOM 0 HA SER A 28 -5.488 -3.708 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.498 -4.556 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.308 -4.403 6.065 1.00 0.00 H new ATOM 0 HG SER A 28 -7.301 -2.391 6.644 1.00 0.00 H new ATOM 457 N SER A 29 -7.100 -0.886 4.015 1.00 0.00 N ATOM 458 CA SER A 29 -7.752 0.129 3.196 1.00 0.00 C ATOM 459 C SER A 29 -6.825 0.607 2.082 1.00 0.00 C ATOM 460 O SER A 29 -7.261 0.843 0.954 1.00 0.00 O ATOM 461 CB SER A 29 -8.190 1.296 4.059 1.00 0.00 C ATOM 462 OG SER A 29 -9.187 0.930 4.974 1.00 0.00 O ATOM 0 H SER A 29 -6.833 -0.568 4.947 1.00 0.00 H new ATOM 0 HA SER A 29 -8.633 -0.316 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.329 1.690 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.561 2.099 3.422 1.00 0.00 H new ATOM 0 HG SER A 29 -9.244 1.604 5.683 1.00 0.00 H new ATOM 468 N LEU A 30 -5.544 0.746 2.407 1.00 0.00 N ATOM 469 CA LEU A 30 -4.549 1.167 1.427 1.00 0.00 C ATOM 470 C LEU A 30 -4.419 0.140 0.306 1.00 0.00 C ATOM 471 O LEU A 30 -4.423 0.489 -0.874 1.00 0.00 O ATOM 472 CB LEU A 30 -3.193 1.391 2.108 1.00 0.00 C ATOM 473 CG LEU A 30 -2.035 1.727 1.160 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.333 3.015 0.405 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.745 1.857 1.959 1.00 0.00 C ATOM 0 H LEU A 30 -5.171 0.574 3.340 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.880 2.108 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.296 2.200 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.933 0.493 2.669 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.918 0.925 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.504 3.244 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.247 2.893 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.462 3.832 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.078 2.096 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.852 2.652 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.536 0.916 2.468 1.00 0.00 H new ATOM 487 N LYS A 31 -4.310 -1.129 0.685 1.00 0.00 N ATOM 488 CA LYS A 31 -4.099 -2.200 -0.283 1.00 0.00 C ATOM 489 C LYS A 31 -5.349 -2.424 -1.126 1.00 0.00 C ATOM 490 O LYS A 31 -5.261 -2.755 -2.308 1.00 0.00 O ATOM 491 CB LYS A 31 -3.701 -3.494 0.428 1.00 0.00 C ATOM 492 CG LYS A 31 -4.855 -4.217 1.110 1.00 0.00 C ATOM 493 CD LYS A 31 -4.369 -5.442 1.871 1.00 0.00 C ATOM 494 CE LYS A 31 -5.526 -6.196 2.507 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.061 -7.373 3.289 1.00 0.00 N ATOM 0 H LYS A 31 -4.364 -1.441 1.655 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.287 -1.901 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.244 -4.167 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.940 -3.265 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.358 -3.536 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.590 -4.518 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.831 -6.104 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.664 -5.136 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.082 -5.523 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.215 -6.526 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.880 -7.953 3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.413 -7.942 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.565 -7.048 4.144 1.00 0.00 H new ATOM 509 N ASP A 32 -6.513 -2.239 -0.512 1.00 0.00 N ATOM 510 CA ASP A 32 -7.781 -2.350 -1.225 1.00 0.00 C ATOM 511 C ASP A 32 -7.857 -1.329 -2.358 1.00 0.00 C ATOM 512 O ASP A 32 -8.266 -1.652 -3.472 1.00 0.00 O ATOM 513 CB ASP A 32 -8.957 -2.162 -0.265 1.00 0.00 C ATOM 514 CG ASP A 32 -10.326 -2.349 -0.903 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.597 -3.429 -1.375 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.145 -1.471 -0.775 1.00 0.00 O ATOM 0 H ASP A 32 -6.605 -2.011 0.478 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.839 -3.349 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.854 -2.868 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.903 -1.162 0.164 1.00 0.00 H new ATOM 521 N LYS A 33 -7.459 -0.096 -2.063 1.00 0.00 N ATOM 522 CA LYS A 33 -7.478 0.971 -3.056 1.00 0.00 C ATOM 523 C LYS A 33 -6.451 0.709 -4.155 1.00 0.00 C ATOM 524 O LYS A 33 -6.706 0.975 -5.330 1.00 0.00 O ATOM 525 CB LYS A 33 -7.210 2.325 -2.396 1.00 0.00 C ATOM 526 CG LYS A 33 -8.370 2.859 -1.565 1.00 0.00 C ATOM 527 CD LYS A 33 -7.980 4.128 -0.823 1.00 0.00 C ATOM 528 CE LYS A 33 -9.150 4.686 -0.025 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.744 5.832 0.831 1.00 0.00 N ATOM 0 H LYS A 33 -7.119 0.189 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.469 0.992 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.331 2.237 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.969 3.052 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.222 3.062 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.688 2.100 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.147 3.918 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.634 4.876 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.936 5.005 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.571 3.898 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.588 6.369 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.258 5.477 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.102 6.453 0.298 1.00 0.00 H new ATOM 543 N ILE A 34 -5.293 0.188 -3.764 1.00 0.00 N ATOM 544 CA ILE A 34 -4.297 -0.264 -4.727 1.00 0.00 C ATOM 545 C ILE A 34 -4.843 -1.394 -5.593 1.00 0.00 C ATOM 546 O ILE A 34 -4.564 -1.463 -6.791 1.00 0.00 O ATOM 547 CB ILE A 34 -3.011 -0.740 -4.027 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.319 0.432 -3.326 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.072 -1.395 -5.029 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.240 0.012 -2.355 1.00 0.00 C ATOM 0 H ILE A 34 -5.022 0.069 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.059 0.591 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.280 -1.480 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.881 1.087 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.068 1.017 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.168 -1.726 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.566 -2.253 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.808 -0.676 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.797 0.897 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.674 -0.618 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.470 -0.547 -2.886 1.00 0.00 H new ATOM 562 N HIS A 35 -5.624 -2.278 -4.981 1.00 0.00 N ATOM 563 CA HIS A 35 -6.252 -3.376 -5.708 1.00 0.00 C ATOM 564 C HIS A 35 -7.280 -2.851 -6.704 1.00 0.00 C ATOM 565 O HIS A 35 -7.413 -3.376 -7.810 1.00 0.00 O ATOM 566 CB HIS A 35 -6.914 -4.360 -4.738 1.00 0.00 C ATOM 567 CG HIS A 35 -7.823 -5.343 -5.407 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.357 -6.342 -6.236 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.169 -5.482 -5.371 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.378 -7.053 -6.681 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.489 -6.552 -6.171 1.00 0.00 N ATOM 0 H HIS A 35 -5.837 -2.256 -3.984 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.472 -3.901 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.138 -4.904 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.483 -3.799 -3.996 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.378 -6.506 -6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.862 -4.867 -4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.315 -7.900 -7.348 1.00 0.00 H new ATOM 578 N ILE A 36 -8.007 -1.810 -6.306 1.00 0.00 N ATOM 579 CA ILE A 36 -8.961 -1.160 -7.195 1.00 0.00 C ATOM 580 C ILE A 36 -8.257 -0.536 -8.395 1.00 0.00 C ATOM 581 O ILE A 36 -8.754 -0.594 -9.520 1.00 0.00 O ATOM 582 CB ILE A 36 -9.767 -0.074 -6.460 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.717 -0.710 -5.442 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.541 0.778 -7.455 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.332 0.279 -4.479 1.00 0.00 C ATOM 0 H ILE A 36 -7.952 -1.400 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.646 -1.933 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.071 0.571 -5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.515 -1.226 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.173 -1.465 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.106 1.541 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.844 1.258 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.228 0.146 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.992 -0.247 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.543 0.778 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.905 1.021 -5.036 1.00 0.00 H new ATOM 597 N VAL A 37 -7.094 0.059 -8.149 1.00 0.00 N ATOM 598 CA VAL A 37 -6.292 0.644 -9.217 1.00 0.00 C ATOM 599 C VAL A 37 -5.743 -0.434 -10.145 1.00 0.00 C ATOM 600 O VAL A 37 -5.704 -0.256 -11.362 1.00 0.00 O ATOM 601 CB VAL A 37 -5.120 1.471 -8.655 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.167 1.870 -9.772 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.636 2.705 -7.931 1.00 0.00 C ATOM 0 H VAL A 37 -6.686 0.149 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.951 1.304 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.576 0.854 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.345 2.454 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.771 0.974 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.701 2.469 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.794 3.277 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.204 3.324 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.281 2.400 -7.107 1.00 0.00 H new ATOM 613 N GLU A 38 -5.323 -1.551 -9.562 1.00 0.00 N ATOM 614 CA GLU A 38 -4.719 -2.633 -10.330 1.00 0.00 C ATOM 615 C GLU A 38 -5.761 -3.684 -10.703 1.00 0.00 C ATOM 616 O GLU A 38 -6.955 -3.501 -10.464 1.00 0.00 O ATOM 617 CB GLU A 38 -3.575 -3.277 -9.544 1.00 0.00 C ATOM 618 CG GLU A 38 -2.386 -2.360 -9.298 1.00 0.00 C ATOM 619 CD GLU A 38 -1.795 -1.875 -10.593 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.484 -2.692 -11.425 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.756 -0.684 -10.796 1.00 0.00 O ATOM 0 H GLU A 38 -5.390 -1.731 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.316 -2.209 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.959 -3.620 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.232 -4.160 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.700 -1.507 -8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.626 -2.891 -8.725 1.00 0.00 H new ATOM 628 N ASN A 39 -5.300 -4.785 -11.287 1.00 0.00 N ATOM 629 CA ASN A 39 -6.181 -5.898 -11.619 1.00 0.00 C ATOM 630 C ASN A 39 -5.650 -7.205 -11.039 1.00 0.00 C ATOM 631 O ASN A 39 -5.945 -8.289 -11.545 1.00 0.00 O ATOM 632 CB ASN A 39 -6.373 -6.028 -13.119 1.00 0.00 C ATOM 633 CG ASN A 39 -5.099 -6.299 -13.871 1.00 0.00 C ATOM 634 OD1 ASN A 39 -4.021 -6.427 -13.280 1.00 0.00 O ATOM 635 ND2 ASN A 39 -5.204 -6.305 -15.176 1.00 0.00 N ATOM 0 H ASN A 39 -4.323 -4.930 -11.540 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.152 -5.687 -11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.080 -6.834 -13.317 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.821 -5.110 -13.500 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.371 -6.419 -15.754 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.118 -6.196 -15.615 1.00 0.00 H new ATOM 642 N THR A 40 -4.864 -7.096 -9.972 1.00 0.00 N ATOM 643 CA THR A 40 -4.290 -8.268 -9.322 1.00 0.00 C ATOM 644 C THR A 40 -4.893 -8.478 -7.938 1.00 0.00 C ATOM 645 O THR A 40 -4.948 -7.566 -7.113 1.00 0.00 O ATOM 646 CB THR A 40 -2.760 -8.150 -9.192 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.172 -8.077 -10.498 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.194 -9.352 -8.451 1.00 0.00 C ATOM 0 H THR A 40 -4.610 -6.208 -9.540 1.00 0.00 H new ATOM 0 HA THR A 40 -4.526 -9.125 -9.953 1.00 0.00 H new ATOM 0 HB THR A 40 -2.526 -7.246 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.199 -8.000 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.112 -9.252 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.631 -9.403 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.433 -10.263 -8.999 1.00 0.00 H new ATOM 656 N PRO A 41 -5.355 -9.708 -7.673 1.00 0.00 N ATOM 657 CA PRO A 41 -6.000 -10.057 -6.404 1.00 0.00 C ATOM 658 C PRO A 41 -5.150 -9.673 -5.197 1.00 0.00 C ATOM 659 O PRO A 41 -3.924 -9.790 -5.228 1.00 0.00 O ATOM 660 CB PRO A 41 -6.202 -11.573 -6.497 1.00 0.00 C ATOM 661 CG PRO A 41 -6.334 -11.842 -7.957 1.00 0.00 C ATOM 662 CD PRO A 41 -5.395 -10.874 -8.626 1.00 0.00 C ATOM 0 HA PRO A 41 -6.935 -9.517 -6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.358 -12.113 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.092 -11.889 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.070 -12.873 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.360 -11.691 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.406 -11.309 -8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.759 -10.576 -9.609 1.00 0.00 H new ATOM 670 N ILE A 42 -5.807 -9.215 -4.138 1.00 0.00 N ATOM 671 CA ILE A 42 -5.112 -8.809 -2.924 1.00 0.00 C ATOM 672 C ILE A 42 -4.316 -9.968 -2.332 1.00 0.00 C ATOM 673 O ILE A 42 -3.218 -9.781 -1.811 1.00 0.00 O ATOM 674 CB ILE A 42 -6.091 -8.275 -1.863 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.675 -6.931 -2.304 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.396 -8.141 -0.517 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.820 -6.451 -1.443 1.00 0.00 C ATOM 0 H ILE A 42 -6.821 -9.116 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.428 -8.009 -3.206 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.909 -8.987 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.884 -6.181 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.019 -7.016 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.103 -7.762 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.027 -9.116 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.559 -7.448 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.180 -5.493 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.629 -7.181 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.477 -6.333 -0.415 1.00 0.00 H new ATOM 689 N LYS A 43 -4.880 -11.169 -2.417 1.00 0.00 N ATOM 690 CA LYS A 43 -4.238 -12.356 -1.864 1.00 0.00 C ATOM 691 C LYS A 43 -2.944 -12.672 -2.608 1.00 0.00 C ATOM 692 O LYS A 43 -2.069 -13.362 -2.084 1.00 0.00 O ATOM 693 CB LYS A 43 -5.185 -13.555 -1.921 1.00 0.00 C ATOM 694 CG LYS A 43 -6.384 -13.454 -0.987 1.00 0.00 C ATOM 695 CD LYS A 43 -7.290 -14.669 -1.115 1.00 0.00 C ATOM 696 CE LYS A 43 -8.470 -14.585 -0.158 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.378 -15.757 -0.289 1.00 0.00 N ATOM 0 H LYS A 43 -5.780 -11.346 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.994 -12.151 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.545 -13.670 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.624 -14.457 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.038 -13.363 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.950 -12.551 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.655 -14.746 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.718 -15.574 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.102 -14.524 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.029 -13.670 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.168 -15.660 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.749 -15.802 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.852 -16.629 -0.079 1.00 0.00 H new ATOM 711 N ARG A 44 -2.829 -12.160 -3.829 1.00 0.00 N ATOM 712 CA ARG A 44 -1.644 -12.393 -4.645 1.00 0.00 C ATOM 713 C ARG A 44 -0.701 -11.195 -4.589 1.00 0.00 C ATOM 714 O ARG A 44 0.520 -11.354 -4.581 1.00 0.00 O ATOM 715 CB ARG A 44 -1.997 -12.760 -6.079 1.00 0.00 C ATOM 716 CG ARG A 44 -2.857 -14.006 -6.227 1.00 0.00 C ATOM 717 CD ARG A 44 -2.176 -15.269 -5.842 1.00 0.00 C ATOM 718 NE ARG A 44 -3.007 -16.458 -5.950 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.608 -17.702 -5.621 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.385 -17.931 -5.200 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.475 -18.691 -5.756 1.00 0.00 N ATOM 0 H ARG A 44 -3.541 -11.582 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.123 -13.252 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.519 -11.919 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.074 -12.905 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.753 -13.889 -5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.185 -14.085 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.295 -15.398 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.824 -15.179 -4.814 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.958 -16.342 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.721 -17.161 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.099 -18.879 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.416 -18.501 -6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.203 -19.644 -5.515 1.00 0.00 H new ATOM 735 N MET A 45 -1.276 -9.998 -4.551 1.00 0.00 N ATOM 736 CA MET A 45 -0.486 -8.771 -4.552 1.00 0.00 C ATOM 737 C MET A 45 0.289 -8.622 -3.247 1.00 0.00 C ATOM 738 O MET A 45 -0.260 -8.821 -2.163 1.00 0.00 O ATOM 739 CB MET A 45 -1.388 -7.559 -4.776 1.00 0.00 C ATOM 740 CG MET A 45 -0.647 -6.236 -4.899 1.00 0.00 C ATOM 741 SD MET A 45 -1.760 -4.832 -5.106 1.00 0.00 S ATOM 742 CE MET A 45 -2.448 -4.700 -3.458 1.00 0.00 C ATOM 0 H MET A 45 -2.285 -9.851 -4.519 1.00 0.00 H new ATOM 0 HA MET A 45 0.233 -8.829 -5.370 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.972 -7.719 -5.682 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.095 -7.490 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.036 -6.082 -4.009 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.034 -6.283 -5.749 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.525 -4.863 -3.499 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.992 -5.450 -2.812 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.247 -3.706 -3.058 1.00 0.00 H new ATOM 752 N GLN A 46 1.565 -8.270 -3.358 1.00 0.00 N ATOM 753 CA GLN A 46 2.408 -8.071 -2.185 1.00 0.00 C ATOM 754 C GLN A 46 2.654 -6.588 -1.938 1.00 0.00 C ATOM 755 O GLN A 46 2.904 -5.824 -2.872 1.00 0.00 O ATOM 756 CB GLN A 46 3.746 -8.798 -2.354 1.00 0.00 C ATOM 757 CG GLN A 46 3.615 -10.260 -2.743 1.00 0.00 C ATOM 758 CD GLN A 46 2.924 -11.084 -1.673 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.365 -11.128 -0.522 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.836 -11.746 -2.049 1.00 0.00 N ATOM 0 H GLN A 46 2.038 -8.117 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 46 1.885 -8.486 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.333 -8.283 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.304 -8.731 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.055 -10.336 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.606 -10.673 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.507 -11.681 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.330 -12.320 -1.375 1.00 0.00 H new ATOM 769 N LEU A 47 2.583 -6.185 -0.674 1.00 0.00 N ATOM 770 CA LEU A 47 2.651 -4.771 -0.316 1.00 0.00 C ATOM 771 C LEU A 47 3.799 -4.509 0.653 1.00 0.00 C ATOM 772 O LEU A 47 3.828 -5.052 1.757 1.00 0.00 O ATOM 773 CB LEU A 47 1.319 -4.313 0.293 1.00 0.00 C ATOM 774 CG LEU A 47 1.317 -2.886 0.855 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.588 -1.885 -0.259 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.023 -2.604 1.519 1.00 0.00 C ATOM 0 H LEU A 47 2.478 -6.816 0.120 1.00 0.00 H new ATOM 0 HA LEU A 47 2.838 -4.197 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.544 -4.388 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.047 -5.002 1.092 1.00 0.00 H new ATOM 0 HG LEU A 47 2.106 -2.788 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.584 -0.875 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.561 -2.092 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.813 -1.970 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.025 -1.590 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.822 -2.706 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.184 -3.314 2.330 1.00 0.00 H new ATOM 788 N TYR A 48 4.743 -3.674 0.233 1.00 0.00 N ATOM 789 CA TYR A 48 5.877 -3.314 1.076 1.00 0.00 C ATOM 790 C TYR A 48 5.967 -1.802 1.252 1.00 0.00 C ATOM 791 O TYR A 48 5.715 -1.041 0.317 1.00 0.00 O ATOM 792 CB TYR A 48 7.179 -3.856 0.482 1.00 0.00 C ATOM 793 CG TYR A 48 8.424 -3.383 1.200 1.00 0.00 C ATOM 794 CD1 TYR A 48 8.805 -3.945 2.409 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.215 -2.378 0.665 1.00 0.00 C ATOM 796 CE1 TYR A 48 9.940 -3.516 3.070 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.352 -1.941 1.316 1.00 0.00 C ATOM 798 CZ TYR A 48 10.713 -2.514 2.519 1.00 0.00 C ATOM 799 OH TYR A 48 11.845 -2.084 3.171 1.00 0.00 O ATOM 0 H TYR A 48 4.745 -3.233 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 48 5.725 -3.764 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.151 -4.945 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.240 -3.559 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.204 -4.732 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.937 -1.929 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.221 -3.962 4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.955 -1.155 0.886 1.00 0.00 H new ATOM 0 HH TYR A 48 11.831 -2.404 4.097 1.00 0.00 H new ATOM 809 N TYR A 49 6.330 -1.373 2.454 1.00 0.00 N ATOM 810 CA TYR A 49 6.541 0.044 2.730 1.00 0.00 C ATOM 811 C TYR A 49 8.002 0.319 3.077 1.00 0.00 C ATOM 812 O TYR A 49 8.620 -0.423 3.840 1.00 0.00 O ATOM 813 CB TYR A 49 5.631 0.510 3.869 1.00 0.00 C ATOM 814 CG TYR A 49 6.039 1.832 4.479 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.034 2.997 3.724 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.428 1.913 5.808 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.406 4.207 4.276 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.802 3.118 6.369 1.00 0.00 C ATOM 819 CZ TYR A 49 6.790 4.263 5.600 1.00 0.00 C ATOM 820 OH TYR A 49 7.161 5.466 6.156 1.00 0.00 O ATOM 0 H TYR A 49 6.485 -1.986 3.255 1.00 0.00 H new ATOM 0 HA TYR A 49 6.290 0.604 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.611 0.594 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.623 -0.251 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.734 2.956 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.439 1.019 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.396 5.104 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.103 3.164 7.405 1.00 0.00 H new ATOM 0 HH TYR A 49 6.568 5.676 6.907 1.00 0.00 H new ATOM 830 N SER A 50 8.545 1.391 2.510 1.00 0.00 N ATOM 831 CA SER A 50 9.891 1.838 2.853 1.00 0.00 C ATOM 832 C SER A 50 10.258 1.414 4.273 1.00 0.00 C ATOM 833 O SER A 50 9.812 2.018 5.247 1.00 0.00 O ATOM 834 CB SER A 50 9.998 3.342 2.704 1.00 0.00 C ATOM 835 OG SER A 50 11.277 3.814 3.027 1.00 0.00 O ATOM 0 H SER A 50 8.075 1.966 1.811 1.00 0.00 H new ATOM 0 HA SER A 50 10.595 1.368 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.757 3.622 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.261 3.823 3.348 1.00 0.00 H new ATOM 0 HG SER A 50 11.304 4.787 2.916 1.00 0.00 H new ATOM 841 N GLY A 51 11.075 0.372 4.380 1.00 0.00 N ATOM 842 CA GLY A 51 11.529 -0.084 5.682 1.00 0.00 C ATOM 843 C GLY A 51 10.731 -1.267 6.193 1.00 0.00 C ATOM 844 O GLY A 51 11.193 -2.406 6.137 1.00 0.00 O ATOM 0 H GLY A 51 11.431 -0.165 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.582 -0.359 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.455 0.736 6.397 1.00 0.00 H new ATOM 848 N ILE A 52 9.532 -0.995 6.694 1.00 0.00 N ATOM 849 CA ILE A 52 8.695 -2.036 7.280 1.00 0.00 C ATOM 850 C ILE A 52 7.635 -2.512 6.291 1.00 0.00 C ATOM 851 O ILE A 52 6.948 -1.703 5.667 1.00 0.00 O ATOM 852 CB ILE A 52 8.004 -1.549 8.566 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.046 -1.113 9.600 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.109 -2.638 9.135 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.459 -0.392 10.791 1.00 0.00 C ATOM 0 H ILE A 52 9.117 -0.063 6.706 1.00 0.00 H new ATOM 0 HA ILE A 52 9.355 -2.867 7.528 1.00 0.00 H new ATOM 0 HB ILE A 52 7.382 -0.688 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.587 -1.992 9.950 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.774 -0.462 9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.629 -2.276 10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.347 -2.902 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.709 -3.518 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.258 -0.115 11.479 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.943 0.507 10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.752 -1.047 11.301 1.00 0.00 H new ATOM 867 N GLU A 53 7.509 -3.829 6.155 1.00 0.00 N ATOM 868 CA GLU A 53 6.508 -4.412 5.269 1.00 0.00 C ATOM 869 C GLU A 53 5.112 -4.296 5.872 1.00 0.00 C ATOM 870 O GLU A 53 4.916 -4.541 7.064 1.00 0.00 O ATOM 871 CB GLU A 53 6.838 -5.878 4.977 1.00 0.00 C ATOM 872 CG GLU A 53 5.895 -6.550 3.990 1.00 0.00 C ATOM 873 CD GLU A 53 6.298 -7.976 3.735 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.253 -8.418 4.325 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.585 -8.657 3.036 1.00 0.00 O ATOM 0 H GLU A 53 8.087 -4.511 6.646 1.00 0.00 H new ATOM 0 HA GLU A 53 6.523 -3.856 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.855 -5.938 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.821 -6.435 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.877 -6.521 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.893 -5.997 3.051 1.00 0.00 H new ATOM 882 N LEU A 54 4.145 -3.920 5.043 1.00 0.00 N ATOM 883 CA LEU A 54 2.780 -3.701 5.510 1.00 0.00 C ATOM 884 C LEU A 54 1.993 -5.008 5.527 1.00 0.00 C ATOM 885 O LEU A 54 1.015 -5.164 4.795 1.00 0.00 O ATOM 886 CB LEU A 54 2.077 -2.664 4.626 1.00 0.00 C ATOM 887 CG LEU A 54 2.797 -1.316 4.503 1.00 0.00 C ATOM 888 CD1 LEU A 54 1.990 -0.371 3.622 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.001 -0.720 5.887 1.00 0.00 C ATOM 0 H LEU A 54 4.280 -3.760 4.045 1.00 0.00 H new ATOM 0 HA LEU A 54 2.825 -3.320 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.954 -3.085 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.077 -2.489 5.024 1.00 0.00 H new ATOM 0 HG LEU A 54 3.772 -1.466 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.510 0.584 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.876 -0.807 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.006 -0.212 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.513 0.238 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.033 -0.572 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.604 -1.399 6.490 1.00 0.00 H new ATOM 901 N ALA A 55 2.425 -5.942 6.367 1.00 0.00 N ATOM 902 CA ALA A 55 1.901 -7.302 6.331 1.00 0.00 C ATOM 903 C ALA A 55 0.692 -7.449 7.248 1.00 0.00 C ATOM 904 O ALA A 55 -0.172 -8.297 7.021 1.00 0.00 O ATOM 905 CB ALA A 55 2.986 -8.295 6.722 1.00 0.00 C ATOM 0 H ALA A 55 3.136 -5.782 7.081 1.00 0.00 H new ATOM 0 HA ALA A 55 1.579 -7.514 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.582 -9.307 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.820 -8.216 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.335 -8.074 7.731 1.00 0.00 H new ATOM 911 N ASP A 56 0.636 -6.620 8.284 1.00 0.00 N ATOM 912 CA ASP A 56 -0.374 -6.764 9.325 1.00 0.00 C ATOM 913 C ASP A 56 -1.600 -5.909 9.015 1.00 0.00 C ATOM 914 O ASP A 56 -1.514 -4.682 8.957 1.00 0.00 O ATOM 915 CB ASP A 56 0.203 -6.384 10.691 1.00 0.00 C ATOM 916 CG ASP A 56 -0.756 -6.582 11.857 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.896 -6.903 11.615 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.307 -6.566 12.978 1.00 0.00 O ATOM 0 H ASP A 56 1.279 -5.841 8.425 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.681 -7.809 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.100 -6.976 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.511 -5.339 10.663 1.00 0.00 H new ATOM 923 N ASP A 57 -2.736 -6.565 8.815 1.00 0.00 N ATOM 924 CA ASP A 57 -3.962 -5.873 8.430 1.00 0.00 C ATOM 925 C ASP A 57 -4.479 -5.007 9.576 1.00 0.00 C ATOM 926 O ASP A 57 -5.091 -3.964 9.350 1.00 0.00 O ATOM 927 CB ASP A 57 -5.035 -6.877 8.000 1.00 0.00 C ATOM 928 CG ASP A 57 -4.805 -7.492 6.626 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.994 -6.978 5.895 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.323 -8.555 6.381 1.00 0.00 O ATOM 0 H ASP A 57 -2.835 -7.575 8.913 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.732 -5.225 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.084 -7.677 8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.004 -6.379 8.004 1.00 0.00 H new ATOM 935 N TYR A 58 -4.230 -5.450 10.803 1.00 0.00 N ATOM 936 CA TYR A 58 -4.809 -4.811 11.979 1.00 0.00 C ATOM 937 C TYR A 58 -3.882 -3.729 12.523 1.00 0.00 C ATOM 938 O TYR A 58 -4.258 -2.958 13.406 1.00 0.00 O ATOM 939 CB TYR A 58 -5.103 -5.847 13.065 1.00 0.00 C ATOM 940 CG TYR A 58 -6.165 -6.853 12.681 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.512 -6.553 12.821 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.819 -8.100 12.181 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.487 -7.468 12.473 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.786 -9.022 11.828 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.120 -8.701 11.976 1.00 0.00 C ATOM 946 OH TYR A 58 -9.087 -9.615 11.629 1.00 0.00 O ATOM 0 H TYR A 58 -3.631 -6.249 11.009 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.746 -4.343 11.679 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.182 -6.379 13.305 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.417 -5.330 13.971 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.804 -5.588 13.209 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.776 -8.355 12.066 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.531 -7.219 12.590 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.500 -9.988 11.439 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.660 -10.432 11.295 1.00 0.00 H new ATOM 956 N ARG A 59 -2.665 -3.678 11.987 1.00 0.00 N ATOM 957 CA ARG A 59 -1.747 -2.584 12.280 1.00 0.00 C ATOM 958 C ARG A 59 -1.979 -1.411 11.333 1.00 0.00 C ATOM 959 O ARG A 59 -1.934 -1.565 10.114 1.00 0.00 O ATOM 960 CB ARG A 59 -0.294 -3.033 12.269 1.00 0.00 C ATOM 961 CG ARG A 59 0.711 -1.958 12.651 1.00 0.00 C ATOM 962 CD ARG A 59 2.106 -2.448 12.797 1.00 0.00 C ATOM 963 NE ARG A 59 3.094 -1.401 13.003 1.00 0.00 N ATOM 964 CZ ARG A 59 4.427 -1.599 13.019 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.934 -2.804 12.880 1.00 0.00 N ATOM 966 NH2 ARG A 59 5.211 -0.551 13.203 1.00 0.00 N ATOM 0 H ARG A 59 -2.293 -4.381 11.348 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.959 -2.246 13.294 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.183 -3.873 12.954 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.050 -3.400 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.691 -1.174 11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.398 -1.502 13.591 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.148 -3.141 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.375 -3.013 11.904 1.00 0.00 H new ATOM 0 HE ARG A 59 2.754 -0.450 13.145 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.316 -3.606 12.758 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.945 -2.937 12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.803 0.375 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.224 -0.669 13.220 1.00 0.00 H new ATOM 980 N ASN A 60 -2.230 -0.236 11.905 1.00 0.00 N ATOM 981 CA ASN A 60 -2.778 0.882 11.145 1.00 0.00 C ATOM 982 C ASN A 60 -1.661 1.723 10.535 1.00 0.00 C ATOM 983 O ASN A 60 -0.494 1.593 10.910 1.00 0.00 O ATOM 984 CB ASN A 60 -3.680 1.749 12.003 1.00 0.00 C ATOM 985 CG ASN A 60 -2.951 2.501 13.081 1.00 0.00 C ATOM 986 OD1 ASN A 60 -1.927 3.147 12.831 1.00 0.00 O ATOM 987 ND2 ASN A 60 -3.426 2.355 14.292 1.00 0.00 N ATOM 0 H ASN A 60 -2.063 -0.034 12.891 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.381 0.464 10.339 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.199 2.462 11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.442 1.120 12.463 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.947 2.785 15.083 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.276 1.811 14.445 1.00 0.00 H new ATOM 994 N LEU A 61 -2.025 2.585 9.591 1.00 0.00 N ATOM 995 CA LEU A 61 -1.040 3.332 8.816 1.00 0.00 C ATOM 996 C LEU A 61 -0.136 4.153 9.729 1.00 0.00 C ATOM 997 O LEU A 61 1.065 4.271 9.487 1.00 0.00 O ATOM 998 CB LEU A 61 -1.742 4.241 7.799 1.00 0.00 C ATOM 999 CG LEU A 61 -2.481 3.509 6.672 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.318 4.497 5.870 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.473 2.806 5.776 1.00 0.00 C ATOM 0 H LEU A 61 -2.995 2.784 9.344 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.417 2.618 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.455 4.871 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.000 4.904 7.355 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.150 2.763 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.839 3.968 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.047 4.973 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.668 5.257 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.999 2.286 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.793 3.542 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.904 2.086 6.364 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.721 4.715 10.782 1.00 0.00 N ATOM 1014 CA ASN A 62 0.026 5.552 11.715 1.00 0.00 C ATOM 1015 C ASN A 62 1.082 4.736 12.453 1.00 0.00 C ATOM 1016 O ASN A 62 2.193 5.210 12.689 1.00 0.00 O ATOM 1017 CB ASN A 62 -0.896 6.241 12.705 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.195 7.221 13.603 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.379 8.214 13.143 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.171 6.904 14.873 1.00 0.00 N ATOM 0 H ASN A 62 -1.709 4.606 11.011 1.00 0.00 H new ATOM 0 HA ASN A 62 0.528 6.323 11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.680 6.762 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.385 5.485 13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.339 7.489 15.535 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.662 6.072 15.200 1.00 0.00 H new ATOM 1027 N GLU A 63 0.727 3.507 12.813 1.00 0.00 N ATOM 1028 CA GLU A 63 1.637 2.634 13.547 1.00 0.00 C ATOM 1029 C GLU A 63 2.831 2.242 12.682 1.00 0.00 C ATOM 1030 O GLU A 63 3.936 2.036 13.186 1.00 0.00 O ATOM 1031 CB GLU A 63 0.904 1.383 14.035 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.038 1.623 15.207 1.00 0.00 C ATOM 1033 CD GLU A 63 -0.810 0.379 15.550 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.477 -0.141 14.689 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -0.645 -0.115 16.641 1.00 0.00 O ATOM 0 H GLU A 63 -0.183 3.093 12.609 1.00 0.00 H new ATOM 0 HA GLU A 63 2.006 3.183 14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.334 0.964 13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.641 0.634 14.325 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.534 1.950 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.731 2.428 14.961 1.00 0.00 H new ATOM 1042 N TYR A 64 2.600 2.141 11.378 1.00 0.00 N ATOM 1043 CA TYR A 64 3.649 1.741 10.446 1.00 0.00 C ATOM 1044 C TYR A 64 4.571 2.913 10.127 1.00 0.00 C ATOM 1045 O TYR A 64 5.684 2.727 9.637 1.00 0.00 O ATOM 1046 CB TYR A 64 3.032 1.195 9.156 1.00 0.00 C ATOM 1047 CG TYR A 64 2.777 -0.295 9.190 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.831 -1.198 9.264 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.485 -0.800 9.147 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.603 -2.559 9.293 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.247 -2.160 9.177 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.309 -3.036 9.250 1.00 0.00 C ATOM 1053 OH TYR A 64 2.079 -4.392 9.281 1.00 0.00 O ATOM 0 H TYR A 64 1.697 2.330 10.942 1.00 0.00 H new ATOM 0 HA TYR A 64 4.241 0.957 10.918 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.091 1.712 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.695 1.423 8.321 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.845 -0.829 9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.650 -0.117 9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.433 -3.247 9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.235 -2.535 9.143 1.00 0.00 H new ATOM 0 HH TYR A 64 2.579 -4.792 10.023 1.00 0.00 H new ATOM 1063 N GLY A 65 4.097 4.123 10.408 1.00 0.00 N ATOM 1064 CA GLY A 65 4.859 5.313 10.075 1.00 0.00 C ATOM 1065 C GLY A 65 4.534 5.840 8.690 1.00 0.00 C ATOM 1066 O GLY A 65 5.391 6.419 8.023 1.00 0.00 O ATOM 0 H GLY A 65 3.200 4.301 10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.656 6.089 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.924 5.088 10.134 1.00 0.00 H new ATOM 1070 N ILE A 66 3.293 5.639 8.258 1.00 0.00 N ATOM 1071 CA ILE A 66 2.867 6.071 6.933 1.00 0.00 C ATOM 1072 C ILE A 66 2.515 7.554 6.925 1.00 0.00 C ATOM 1073 O ILE A 66 1.545 7.979 7.554 1.00 0.00 O ATOM 1074 CB ILE A 66 1.654 5.261 6.438 1.00 0.00 C ATOM 1075 CG1 ILE A 66 1.969 3.763 6.455 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.252 5.707 5.041 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.112 3.369 5.549 1.00 0.00 C ATOM 0 H ILE A 66 2.566 5.180 8.806 1.00 0.00 H new ATOM 0 HA ILE A 66 3.706 5.897 6.260 1.00 0.00 H new ATOM 0 HB ILE A 66 0.817 5.444 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.207 3.463 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.077 3.210 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.394 5.125 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.989 6.765 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.085 5.552 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.275 2.293 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.870 3.636 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.017 3.893 5.856 1.00 0.00 H new ATOM 1089 N THR A 67 3.312 8.341 6.206 1.00 0.00 N ATOM 1090 CA THR A 67 3.169 9.791 6.222 1.00 0.00 C ATOM 1091 C THR A 67 2.575 10.300 4.912 1.00 0.00 C ATOM 1092 O THR A 67 2.238 9.514 4.028 1.00 0.00 O ATOM 1093 CB THR A 67 4.520 10.488 6.466 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.372 10.298 5.329 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.198 9.918 7.704 1.00 0.00 C ATOM 0 H THR A 67 4.062 7.998 5.606 1.00 0.00 H new ATOM 0 HA THR A 67 2.493 10.032 7.042 1.00 0.00 H new ATOM 0 HB THR A 67 4.340 11.552 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.231 10.744 5.485 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.152 10.422 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.558 10.072 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.370 8.851 7.566 1.00 0.00 H new ATOM 1103 N GLU A 68 2.451 11.619 4.797 1.00 0.00 N ATOM 1104 CA GLU A 68 1.972 12.235 3.566 1.00 0.00 C ATOM 1105 C GLU A 68 2.938 11.971 2.415 1.00 0.00 C ATOM 1106 O GLU A 68 2.576 12.100 1.245 1.00 0.00 O ATOM 1107 CB GLU A 68 1.777 13.740 3.760 1.00 0.00 C ATOM 1108 CG GLU A 68 0.603 14.113 4.653 1.00 0.00 C ATOM 1109 CD GLU A 68 0.537 15.597 4.877 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.415 16.289 4.418 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.447 16.054 5.411 1.00 0.00 O ATOM 0 H GLU A 68 2.675 12.280 5.541 1.00 0.00 H new ATOM 0 HA GLU A 68 1.010 11.788 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.689 14.160 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.637 14.204 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.326 13.770 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.696 13.602 5.611 1.00 0.00 H new ATOM 1118 N PHE A 69 4.168 11.601 2.754 1.00 0.00 N ATOM 1119 CA PHE A 69 5.199 11.357 1.751 1.00 0.00 C ATOM 1120 C PHE A 69 5.534 9.872 1.666 1.00 0.00 C ATOM 1121 O PHE A 69 6.589 9.490 1.160 1.00 0.00 O ATOM 1122 CB PHE A 69 6.457 12.167 2.068 1.00 0.00 C ATOM 1123 CG PHE A 69 6.228 13.650 2.121 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.152 14.397 0.955 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.085 14.301 3.337 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.942 15.761 1.002 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.873 15.666 3.387 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.801 16.396 2.220 1.00 0.00 C ATOM 0 H PHE A 69 4.476 11.463 3.717 1.00 0.00 H new ATOM 0 HA PHE A 69 4.812 11.677 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.858 11.837 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.215 11.953 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.258 13.906 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.140 13.735 4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.888 16.331 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.764 16.161 4.341 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.635 17.462 2.258 1.00 0.00 H new ATOM 1138 N SER A 70 4.627 9.037 2.165 1.00 0.00 N ATOM 1139 CA SER A 70 4.869 7.601 2.240 1.00 0.00 C ATOM 1140 C SER A 70 5.251 7.042 0.871 1.00 0.00 C ATOM 1141 O SER A 70 4.607 7.342 -0.133 1.00 0.00 O ATOM 1142 CB SER A 70 3.643 6.892 2.780 1.00 0.00 C ATOM 1143 OG SER A 70 3.800 5.499 2.786 1.00 0.00 O ATOM 0 H SER A 70 3.718 9.331 2.523 1.00 0.00 H new ATOM 0 HA SER A 70 5.703 7.427 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.442 7.238 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.776 7.156 2.175 1.00 0.00 H new ATOM 0 HG SER A 70 4.587 5.261 3.319 1.00 0.00 H new ATOM 1149 N GLU A 71 6.301 6.229 0.844 1.00 0.00 N ATOM 1150 CA GLU A 71 6.695 5.533 -0.376 1.00 0.00 C ATOM 1151 C GLU A 71 6.603 4.021 -0.192 1.00 0.00 C ATOM 1152 O GLU A 71 7.330 3.438 0.613 1.00 0.00 O ATOM 1153 CB GLU A 71 8.114 5.931 -0.788 1.00 0.00 C ATOM 1154 CG GLU A 71 8.272 7.398 -1.161 1.00 0.00 C ATOM 1155 CD GLU A 71 9.699 7.723 -1.503 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.545 7.560 -0.658 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.961 8.029 -2.643 1.00 0.00 O ATOM 0 H GLU A 71 6.894 6.036 1.651 1.00 0.00 H new ATOM 0 HA GLU A 71 6.007 5.826 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.795 5.702 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.418 5.318 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.630 7.631 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.943 8.024 -0.332 1.00 0.00 H new ATOM 1164 N ILE A 72 5.706 3.392 -0.945 1.00 0.00 N ATOM 1165 CA ILE A 72 5.494 1.954 -0.837 1.00 0.00 C ATOM 1166 C ILE A 72 5.783 1.256 -2.162 1.00 0.00 C ATOM 1167 O ILE A 72 5.501 1.793 -3.234 1.00 0.00 O ATOM 1168 CB ILE A 72 4.055 1.627 -0.397 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.050 2.155 -1.424 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.773 2.213 0.978 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.638 1.662 -1.205 1.00 0.00 C ATOM 0 H ILE A 72 5.115 3.855 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 72 6.186 1.588 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 72 3.949 0.544 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.053 3.245 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.377 1.862 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.752 1.973 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.469 1.791 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.896 3.296 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.984 2.078 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.619 0.574 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.291 1.978 -0.221 1.00 0.00 H new ATOM 1183 N VAL A 73 6.345 0.054 -2.080 1.00 0.00 N ATOM 1184 CA VAL A 73 6.595 -0.755 -3.266 1.00 0.00 C ATOM 1185 C VAL A 73 5.641 -1.941 -3.334 1.00 0.00 C ATOM 1186 O VAL A 73 5.494 -2.691 -2.370 1.00 0.00 O ATOM 1187 CB VAL A 73 8.046 -1.272 -3.303 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.274 -2.130 -4.539 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.027 -0.111 -3.274 1.00 0.00 C ATOM 0 H VAL A 73 6.636 -0.381 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 73 6.428 -0.109 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 73 8.214 -1.887 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.304 -2.487 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.595 -2.982 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.087 -1.536 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.047 -0.495 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.858 0.530 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.881 0.466 -2.361 1.00 0.00 H new ATOM 1199 N VAL A 74 4.991 -2.105 -4.483 1.00 0.00 N ATOM 1200 CA VAL A 74 3.951 -3.116 -4.636 1.00 0.00 C ATOM 1201 C VAL A 74 4.305 -4.107 -5.739 1.00 0.00 C ATOM 1202 O VAL A 74 4.653 -3.714 -6.852 1.00 0.00 O ATOM 1203 CB VAL A 74 2.584 -2.479 -4.950 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.514 -3.552 -5.084 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.200 -1.479 -3.870 1.00 0.00 C ATOM 0 H VAL A 74 5.167 -1.551 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 74 3.884 -3.644 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 74 2.663 -1.949 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.555 -3.084 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.781 -4.233 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.438 -4.109 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.232 -1.039 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.140 -1.988 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.953 -0.692 -3.818 1.00 0.00 H new ATOM 1215 N PHE A 75 4.214 -5.395 -5.421 1.00 0.00 N ATOM 1216 CA PHE A 75 4.575 -6.443 -6.367 1.00 0.00 C ATOM 1217 C PHE A 75 3.341 -7.212 -6.825 1.00 0.00 C ATOM 1218 O PHE A 75 2.485 -7.576 -6.017 1.00 0.00 O ATOM 1219 CB PHE A 75 5.593 -7.399 -5.743 1.00 0.00 C ATOM 1220 CG PHE A 75 6.881 -6.738 -5.343 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.913 -6.587 -6.258 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.064 -6.264 -4.053 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.099 -5.980 -5.892 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.249 -5.655 -3.684 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.266 -5.514 -4.605 1.00 0.00 C ATOM 0 H PHE A 75 3.893 -5.737 -4.515 1.00 0.00 H new ATOM 0 HA PHE A 75 5.026 -5.970 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.147 -7.866 -4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.810 -8.197 -6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.788 -6.948 -7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.271 -6.372 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.895 -5.871 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.378 -5.290 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.193 -5.039 -4.318 1.00 0.00 H new