USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 423 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0047 (180deg=-0.193) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot -11:sc= 0.0109 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1 K(o=-1,f=-2.3!) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0572) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.88) USER MOD Single : A 44 THR OG1 : rot 40:sc= 0.342 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 33:sc= 0.207 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.146 0.876 0.094 1.00 0.00 N ATOM 2 CA MET A 1 1.861 -0.142 -0.666 1.00 0.00 C ATOM 3 C MET A 1 3.345 -0.144 -0.312 1.00 0.00 C ATOM 4 O MET A 1 3.978 -1.197 -0.262 1.00 0.00 O ATOM 5 CB MET A 1 1.683 0.093 -2.167 1.00 0.00 C ATOM 6 CG MET A 1 0.360 -0.420 -2.711 1.00 0.00 C ATOM 7 SD MET A 1 0.296 -2.220 -2.797 1.00 0.00 S ATOM 8 CE MET A 1 -1.410 -2.475 -3.279 1.00 0.00 C ATOM 0 H1 MET A 1 0.121 0.728 -0.006 1.00 0.00 H new ATOM 0 H2 MET A 1 1.409 0.808 1.098 1.00 0.00 H new ATOM 0 H3 MET A 1 1.397 1.819 -0.267 1.00 0.00 H new ATOM 0 HA MET A 1 1.443 -1.114 -0.406 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.760 1.161 -2.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.499 -0.393 -2.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.452 -0.061 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.196 -0.006 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.606 -3.543 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.069 -2.051 -2.522 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.595 -1.986 -4.236 1.00 0.00 H new ATOM 18 N GLN A 2 3.891 1.043 -0.068 1.00 0.00 N ATOM 19 CA GLN A 2 5.301 1.177 0.280 1.00 0.00 C ATOM 20 C GLN A 2 5.464 1.607 1.735 1.00 0.00 C ATOM 21 O GLN A 2 4.845 2.575 2.179 1.00 0.00 O ATOM 22 CB GLN A 2 5.982 2.189 -0.642 1.00 0.00 C ATOM 23 CG GLN A 2 5.153 3.439 -0.891 1.00 0.00 C ATOM 24 CD GLN A 2 5.821 4.400 -1.855 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.759 5.111 -1.492 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.341 4.426 -3.093 1.00 0.00 N ATOM 0 H GLN A 2 3.379 1.925 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 2 5.775 0.204 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.939 2.478 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.198 1.710 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.179 3.151 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.974 3.947 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.562 3.820 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.751 5.052 -3.786 1.00 0.00 H new ATOM 35 N TYR A 3 6.299 0.882 2.470 1.00 0.00 N ATOM 36 CA TYR A 3 6.541 1.187 3.876 1.00 0.00 C ATOM 37 C TYR A 3 7.944 1.750 4.077 1.00 0.00 C ATOM 38 O TYR A 3 8.868 1.431 3.328 1.00 0.00 O ATOM 39 CB TYR A 3 6.355 -0.068 4.731 1.00 0.00 C ATOM 40 CG TYR A 3 5.090 -0.834 4.415 1.00 0.00 C ATOM 41 CD1 TYR A 3 5.045 -1.735 3.359 1.00 0.00 C ATOM 42 CD2 TYR A 3 3.939 -0.656 5.173 1.00 0.00 C ATOM 43 CE1 TYR A 3 3.892 -2.436 3.066 1.00 0.00 C ATOM 44 CE2 TYR A 3 2.782 -1.354 4.889 1.00 0.00 C ATOM 45 CZ TYR A 3 2.763 -2.243 3.835 1.00 0.00 C ATOM 46 OH TYR A 3 1.611 -2.939 3.548 1.00 0.00 O ATOM 0 H TYR A 3 6.820 0.079 2.117 1.00 0.00 H new ATOM 0 HA TYR A 3 5.818 1.941 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.213 -0.725 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.344 0.218 5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.928 -1.890 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.950 0.040 5.998 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.874 -3.131 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.897 -1.205 5.489 1.00 0.00 H new ATOM 0 HH TYR A 3 1.704 -3.380 2.678 1.00 0.00 H new ATOM 56 N LYS A 4 8.097 2.590 5.095 1.00 0.00 N ATOM 57 CA LYS A 4 9.387 3.198 5.399 1.00 0.00 C ATOM 58 C LYS A 4 10.005 2.569 6.643 1.00 0.00 C ATOM 59 O LYS A 4 9.651 2.918 7.770 1.00 0.00 O ATOM 60 CB LYS A 4 9.227 4.707 5.604 1.00 0.00 C ATOM 61 CG LYS A 4 10.547 5.444 5.748 1.00 0.00 C ATOM 62 CD LYS A 4 11.454 5.203 4.552 1.00 0.00 C ATOM 63 CE LYS A 4 12.012 6.507 4.004 1.00 0.00 C ATOM 64 NZ LYS A 4 11.361 6.893 2.721 1.00 0.00 N ATOM 0 H LYS A 4 7.343 2.865 5.724 1.00 0.00 H new ATOM 0 HA LYS A 4 10.052 3.020 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.678 5.124 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.623 4.882 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.359 6.512 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.050 5.118 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.275 4.548 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.897 4.687 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.868 7.300 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.086 6.406 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.769 7.787 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.520 6.148 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.339 7.014 2.873 1.00 0.00 H new ATOM 78 N LEU A 5 10.931 1.640 6.432 1.00 0.00 N ATOM 79 CA LEU A 5 11.601 0.962 7.537 1.00 0.00 C ATOM 80 C LEU A 5 12.981 1.560 7.786 1.00 0.00 C ATOM 81 O LEU A 5 13.801 1.660 6.873 1.00 0.00 O ATOM 82 CB LEU A 5 11.726 -0.534 7.243 1.00 0.00 C ATOM 83 CG LEU A 5 12.518 -1.354 8.261 1.00 0.00 C ATOM 84 CD1 LEU A 5 11.577 -2.089 9.203 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.441 -2.336 7.554 1.00 0.00 C ATOM 0 H LEU A 5 11.235 1.339 5.506 1.00 0.00 H new ATOM 0 HA LEU A 5 10.998 1.100 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.723 -0.954 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.195 -0.654 6.266 1.00 0.00 H new ATOM 0 HG LEU A 5 13.130 -0.671 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.159 -2.667 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.958 -1.367 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.938 -2.760 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.997 -2.911 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.849 -3.013 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 5 14.139 -1.788 6.922 1.00 0.00 H new ATOM 97 N VAL A 6 13.233 1.956 9.030 1.00 0.00 N ATOM 98 CA VAL A 6 14.516 2.542 9.401 1.00 0.00 C ATOM 99 C VAL A 6 15.279 1.632 10.357 1.00 0.00 C ATOM 100 O VAL A 6 14.685 0.974 11.212 1.00 0.00 O ATOM 101 CB VAL A 6 14.333 3.922 10.059 1.00 0.00 C ATOM 102 CG1 VAL A 6 15.678 4.494 10.484 1.00 0.00 C ATOM 103 CG2 VAL A 6 13.616 4.873 9.112 1.00 0.00 C ATOM 0 H VAL A 6 12.566 1.882 9.798 1.00 0.00 H new ATOM 0 HA VAL A 6 15.089 2.660 8.481 1.00 0.00 H new ATOM 0 HB VAL A 6 13.718 3.801 10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.529 5.469 10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.150 3.821 11.200 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.320 4.602 9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.495 5.843 9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.203 4.990 8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.636 4.467 8.862 1.00 0.00 H new ATOM 113 N ILE A 7 16.599 1.601 10.208 1.00 0.00 N ATOM 114 CA ILE A 7 17.444 0.773 11.060 1.00 0.00 C ATOM 115 C ILE A 7 18.264 1.629 12.019 1.00 0.00 C ATOM 116 O ILE A 7 19.155 2.368 11.601 1.00 0.00 O ATOM 117 CB ILE A 7 18.399 -0.102 10.226 1.00 0.00 C ATOM 118 CG1 ILE A 7 17.603 -1.060 9.338 1.00 0.00 C ATOM 119 CG2 ILE A 7 19.342 -0.874 11.137 1.00 0.00 C ATOM 120 CD1 ILE A 7 18.266 -1.343 8.008 1.00 0.00 C ATOM 0 H ILE A 7 17.106 2.139 9.506 1.00 0.00 H new ATOM 0 HA ILE A 7 16.778 0.127 11.632 1.00 0.00 H new ATOM 0 HB ILE A 7 18.996 0.546 9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.458 -2.000 9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.613 -0.639 9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.010 -1.488 10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.930 -0.173 11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 7 18.762 -1.515 11.801 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.646 -2.029 7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.386 -0.411 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 7 19.244 -1.793 8.178 1.00 0.00 H new ATOM 132 N ASN A 8 17.958 1.523 13.308 1.00 0.00 N ATOM 133 CA ASN A 8 18.667 2.286 14.328 1.00 0.00 C ATOM 134 C ASN A 8 19.297 1.358 15.363 1.00 0.00 C ATOM 135 O ASN A 8 18.831 1.271 16.498 1.00 0.00 O ATOM 136 CB ASN A 8 17.714 3.265 15.017 1.00 0.00 C ATOM 137 CG ASN A 8 16.894 4.068 14.025 1.00 0.00 C ATOM 138 OD1 ASN A 8 15.665 3.996 14.017 1.00 0.00 O ATOM 139 ND2 ASN A 8 17.573 4.838 13.183 1.00 0.00 N ATOM 0 H ASN A 8 17.223 0.916 13.671 1.00 0.00 H new ATOM 0 HA ASN A 8 19.462 2.848 13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 8 17.044 2.713 15.676 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.288 3.946 15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.076 5.401 12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.592 4.866 13.226 1.00 0.00 H new ATOM 146 N GLY A 9 20.359 0.667 14.962 1.00 0.00 N ATOM 147 CA GLY A 9 21.036 -0.245 15.866 1.00 0.00 C ATOM 148 C GLY A 9 22.088 0.448 16.708 1.00 0.00 C ATOM 149 O GLY A 9 22.245 1.668 16.640 1.00 0.00 O ATOM 0 H GLY A 9 20.763 0.722 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.302 -0.714 16.521 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.504 -1.043 15.289 1.00 0.00 H new ATOM 153 N LYS A 10 22.810 -0.329 17.507 1.00 0.00 N ATOM 154 CA LYS A 10 23.853 0.216 18.368 1.00 0.00 C ATOM 155 C LYS A 10 24.917 0.936 17.545 1.00 0.00 C ATOM 156 O LYS A 10 25.110 2.144 17.680 1.00 0.00 O ATOM 157 CB LYS A 10 24.500 -0.901 19.191 1.00 0.00 C ATOM 158 CG LYS A 10 23.812 -1.151 20.522 1.00 0.00 C ATOM 159 CD LYS A 10 24.689 -0.732 21.690 1.00 0.00 C ATOM 160 CE LYS A 10 24.101 -1.184 23.018 1.00 0.00 C ATOM 161 NZ LYS A 10 22.728 -0.646 23.228 1.00 0.00 N ATOM 0 H LYS A 10 22.692 -1.340 17.577 1.00 0.00 H new ATOM 0 HA LYS A 10 23.391 0.936 19.044 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.491 -1.822 18.608 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.545 -0.649 19.373 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.872 -0.600 20.556 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.565 -2.209 20.612 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.686 -1.156 21.569 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.802 0.352 21.691 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.073 -2.273 23.051 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.748 -0.857 23.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.422 -0.847 24.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.730 0.382 23.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.072 -1.097 22.559 1.00 0.00 H new ATOM 175 N THR A 11 25.605 0.186 16.689 1.00 0.00 N ATOM 176 CA THR A 11 26.648 0.752 15.844 1.00 0.00 C ATOM 177 C THR A 11 26.332 0.546 14.367 1.00 0.00 C ATOM 178 O THR A 11 27.219 0.618 13.515 1.00 0.00 O ATOM 179 CB THR A 11 28.022 0.130 16.154 1.00 0.00 C ATOM 180 OG1 THR A 11 28.024 -0.418 17.477 1.00 0.00 O ATOM 181 CG2 THR A 11 29.127 1.167 16.027 1.00 0.00 C ATOM 0 H THR A 11 25.458 -0.815 16.563 1.00 0.00 H new ATOM 0 HA THR A 11 26.684 1.820 16.060 1.00 0.00 H new ATOM 0 HB THR A 11 28.208 -0.665 15.432 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.901 -0.813 17.666 1.00 0.00 H new ATOM 0 HG21 THR A 11 30.088 0.704 16.251 1.00 0.00 H new ATOM 0 HG22 THR A 11 29.142 1.560 15.011 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.944 1.981 16.729 1.00 0.00 H new ATOM 189 N LEU A 12 25.063 0.289 14.069 1.00 0.00 N ATOM 190 CA LEU A 12 24.629 0.072 12.693 1.00 0.00 C ATOM 191 C LEU A 12 23.345 0.842 12.399 1.00 0.00 C ATOM 192 O LEU A 12 22.275 0.502 12.903 1.00 0.00 O ATOM 193 CB LEU A 12 24.412 -1.420 12.434 1.00 0.00 C ATOM 194 CG LEU A 12 23.534 -1.772 11.233 1.00 0.00 C ATOM 195 CD1 LEU A 12 23.991 -1.014 9.997 1.00 0.00 C ATOM 196 CD2 LEU A 12 23.555 -3.272 10.979 1.00 0.00 C ATOM 0 H LEU A 12 24.317 0.226 14.761 1.00 0.00 H new ATOM 0 HA LEU A 12 25.412 0.439 12.030 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.386 -1.890 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.968 -1.862 13.326 1.00 0.00 H new ATOM 0 HG LEU A 12 22.509 -1.476 11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.354 -1.277 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.923 0.058 10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.024 -1.278 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.925 -3.505 10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.577 -3.592 10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.178 -3.795 11.858 1.00 0.00 H new ATOM 208 N LYS A 13 23.459 1.882 11.579 1.00 0.00 N ATOM 209 CA LYS A 13 22.308 2.699 11.215 1.00 0.00 C ATOM 210 C LYS A 13 22.113 2.720 9.702 1.00 0.00 C ATOM 211 O LYS A 13 23.076 2.821 8.943 1.00 0.00 O ATOM 212 CB LYS A 13 22.485 4.127 11.736 1.00 0.00 C ATOM 213 CG LYS A 13 21.747 4.396 13.036 1.00 0.00 C ATOM 214 CD LYS A 13 22.687 4.899 14.118 1.00 0.00 C ATOM 215 CE LYS A 13 21.943 5.194 15.411 1.00 0.00 C ATOM 216 NZ LYS A 13 21.195 6.480 15.341 1.00 0.00 N ATOM 0 H LYS A 13 24.338 2.179 11.154 1.00 0.00 H new ATOM 0 HA LYS A 13 21.422 2.259 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.547 4.322 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 13 22.135 4.827 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 13 20.962 5.132 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 13 21.258 3.482 13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 13 23.461 4.154 14.304 1.00 0.00 H new ATOM 0 HD3 LYS A 13 23.191 5.802 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 13 21.248 4.381 15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.653 5.231 16.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.702 6.644 16.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.860 7.259 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.500 6.436 14.569 1.00 0.00 H new ATOM 230 N GLY A 14 20.859 2.625 9.270 1.00 0.00 N ATOM 231 CA GLY A 14 20.560 2.636 7.850 1.00 0.00 C ATOM 232 C GLY A 14 19.072 2.706 7.571 1.00 0.00 C ATOM 233 O GLY A 14 18.274 2.923 8.482 1.00 0.00 O ATOM 0 H GLY A 14 20.045 2.541 9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 14 21.054 3.489 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.971 1.738 7.388 1.00 0.00 H new ATOM 237 N GLU A 15 18.699 2.524 6.308 1.00 0.00 N ATOM 238 CA GLU A 15 17.296 2.570 5.913 1.00 0.00 C ATOM 239 C GLU A 15 17.027 1.620 4.749 1.00 0.00 C ATOM 240 O GLU A 15 17.955 1.140 4.097 1.00 0.00 O ATOM 241 CB GLU A 15 16.901 3.996 5.522 1.00 0.00 C ATOM 242 CG GLU A 15 15.510 4.391 5.990 1.00 0.00 C ATOM 243 CD GLU A 15 15.402 5.869 6.315 1.00 0.00 C ATOM 244 OE1 GLU A 15 16.021 6.304 7.308 1.00 0.00 O ATOM 245 OE2 GLU A 15 14.698 6.589 5.576 1.00 0.00 O ATOM 0 H GLU A 15 19.348 2.344 5.542 1.00 0.00 H new ATOM 0 HA GLU A 15 16.694 2.253 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.628 4.693 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.952 4.094 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.785 4.139 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.249 3.808 6.873 1.00 0.00 H new ATOM 252 N THR A 16 15.750 1.351 4.495 1.00 0.00 N ATOM 253 CA THR A 16 15.358 0.458 3.413 1.00 0.00 C ATOM 254 C THR A 16 13.853 0.509 3.177 1.00 0.00 C ATOM 255 O THR A 16 13.124 1.201 3.888 1.00 0.00 O ATOM 256 CB THR A 16 15.771 -0.997 3.708 1.00 0.00 C ATOM 257 OG1 THR A 16 15.612 -1.799 2.533 1.00 0.00 O ATOM 258 CG2 THR A 16 14.937 -1.577 4.841 1.00 0.00 C ATOM 0 H THR A 16 14.970 1.739 5.025 1.00 0.00 H new ATOM 0 HA THR A 16 15.876 0.800 2.517 1.00 0.00 H new ATOM 0 HB THR A 16 16.818 -1.000 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.878 -2.722 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.246 -2.605 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.083 -0.981 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.883 -1.561 4.562 1.00 0.00 H new ATOM 266 N THR A 17 13.391 -0.230 2.172 1.00 0.00 N ATOM 267 CA THR A 17 11.972 -0.268 1.842 1.00 0.00 C ATOM 268 C THR A 17 11.571 -1.635 1.297 1.00 0.00 C ATOM 269 O THR A 17 12.421 -2.490 1.050 1.00 0.00 O ATOM 270 CB THR A 17 11.607 0.812 0.806 1.00 0.00 C ATOM 271 OG1 THR A 17 12.134 0.458 -0.478 1.00 0.00 O ATOM 272 CG2 THR A 17 12.150 2.170 1.226 1.00 0.00 C ATOM 0 H THR A 17 13.979 -0.810 1.573 1.00 0.00 H new ATOM 0 HA THR A 17 11.427 -0.074 2.766 1.00 0.00 H new ATOM 0 HB THR A 17 10.520 0.875 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.896 1.149 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.880 2.917 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.724 2.450 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.235 2.118 1.311 1.00 0.00 H new ATOM 280 N THR A 18 10.270 -1.834 1.110 1.00 0.00 N ATOM 281 CA THR A 18 9.756 -3.096 0.594 1.00 0.00 C ATOM 282 C THR A 18 8.384 -2.913 -0.044 1.00 0.00 C ATOM 283 O THR A 18 7.910 -1.788 -0.209 1.00 0.00 O ATOM 284 CB THR A 18 9.655 -4.158 1.706 1.00 0.00 C ATOM 285 OG1 THR A 18 9.506 -5.459 1.129 1.00 0.00 O ATOM 286 CG2 THR A 18 8.479 -3.867 2.626 1.00 0.00 C ATOM 0 H THR A 18 9.553 -1.136 1.309 1.00 0.00 H new ATOM 0 HA THR A 18 10.462 -3.438 -0.163 1.00 0.00 H new ATOM 0 HB THR A 18 10.572 -4.126 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.444 -6.128 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.428 -4.630 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.611 -2.888 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.555 -3.875 2.048 1.00 0.00 H new ATOM 294 N LYS A 19 7.749 -4.024 -0.400 1.00 0.00 N ATOM 295 CA LYS A 19 6.429 -3.986 -1.018 1.00 0.00 C ATOM 296 C LYS A 19 5.603 -5.203 -0.612 1.00 0.00 C ATOM 297 O LYS A 19 5.848 -6.315 -1.079 1.00 0.00 O ATOM 298 CB LYS A 19 6.558 -3.930 -2.542 1.00 0.00 C ATOM 299 CG LYS A 19 6.718 -2.521 -3.087 1.00 0.00 C ATOM 300 CD LYS A 19 6.879 -2.523 -4.599 1.00 0.00 C ATOM 301 CE LYS A 19 5.660 -3.118 -5.287 1.00 0.00 C ATOM 302 NZ LYS A 19 5.423 -2.504 -6.623 1.00 0.00 N ATOM 0 H LYS A 19 8.127 -4.962 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 19 5.918 -3.089 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.416 -4.529 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.675 -4.386 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.849 -1.923 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.587 -2.049 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.036 -1.503 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.767 -3.094 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.796 -4.194 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.781 -2.972 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.584 -2.936 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.268 -1.482 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.251 -2.665 -7.231 1.00 0.00 H new ATOM 316 N ALA A 20 4.623 -4.983 0.258 1.00 0.00 N ATOM 317 CA ALA A 20 3.759 -6.061 0.724 1.00 0.00 C ATOM 318 C ALA A 20 2.290 -5.662 0.641 1.00 0.00 C ATOM 319 O ALA A 20 1.959 -4.476 0.624 1.00 0.00 O ATOM 320 CB ALA A 20 4.123 -6.451 2.148 1.00 0.00 C ATOM 0 H ALA A 20 4.407 -4.068 0.654 1.00 0.00 H new ATOM 0 HA ALA A 20 3.911 -6.922 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.470 -7.257 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.159 -6.787 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.001 -5.589 2.804 1.00 0.00 H new ATOM 326 N VAL A 21 1.412 -6.658 0.590 1.00 0.00 N ATOM 327 CA VAL A 21 -0.022 -6.411 0.510 1.00 0.00 C ATOM 328 C VAL A 21 -0.628 -6.234 1.898 1.00 0.00 C ATOM 329 O VAL A 21 -1.845 -6.131 2.047 1.00 0.00 O ATOM 330 CB VAL A 21 -0.751 -7.559 -0.213 1.00 0.00 C ATOM 331 CG1 VAL A 21 -2.139 -7.118 -0.653 1.00 0.00 C ATOM 332 CG2 VAL A 21 0.066 -8.042 -1.402 1.00 0.00 C ATOM 0 H VAL A 21 1.669 -7.645 0.603 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.152 -5.492 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.864 -8.390 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.638 -7.942 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.721 -6.824 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.053 -6.271 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.463 -8.853 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.212 -7.219 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.035 -8.400 -1.056 1.00 0.00 H new ATOM 342 N ASP A 22 0.230 -6.198 2.911 1.00 0.00 N ATOM 343 CA ASP A 22 -0.219 -6.031 4.288 1.00 0.00 C ATOM 344 C ASP A 22 0.969 -5.907 5.237 1.00 0.00 C ATOM 345 O ASP A 22 1.975 -6.598 5.082 1.00 0.00 O ATOM 346 CB ASP A 22 -1.100 -7.210 4.706 1.00 0.00 C ATOM 347 CG ASP A 22 -1.619 -7.071 6.124 1.00 0.00 C ATOM 348 OD1 ASP A 22 -1.716 -5.925 6.610 1.00 0.00 O ATOM 349 OD2 ASP A 22 -1.927 -8.109 6.747 1.00 0.00 O ATOM 0 H ASP A 22 1.241 -6.282 2.805 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.803 -5.112 4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.943 -7.291 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.529 -8.135 4.620 1.00 0.00 H new ATOM 354 N ALA A 23 0.846 -5.019 6.219 1.00 0.00 N ATOM 355 CA ALA A 23 1.909 -4.805 7.192 1.00 0.00 C ATOM 356 C ALA A 23 2.355 -6.122 7.817 1.00 0.00 C ATOM 357 O ALA A 23 3.511 -6.271 8.213 1.00 0.00 O ATOM 358 CB ALA A 23 1.448 -3.836 8.271 1.00 0.00 C ATOM 0 H ALA A 23 0.021 -4.437 6.361 1.00 0.00 H new ATOM 0 HA ALA A 23 2.764 -4.373 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.252 -3.685 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.185 -2.882 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.576 -4.247 8.780 1.00 0.00 H new ATOM 364 N GLU A 24 1.431 -7.075 7.902 1.00 0.00 N ATOM 365 CA GLU A 24 1.731 -8.379 8.481 1.00 0.00 C ATOM 366 C GLU A 24 2.697 -9.159 7.593 1.00 0.00 C ATOM 367 O GLU A 24 3.805 -9.498 8.009 1.00 0.00 O ATOM 368 CB GLU A 24 0.444 -9.181 8.680 1.00 0.00 C ATOM 369 CG GLU A 24 0.683 -10.646 9.007 1.00 0.00 C ATOM 370 CD GLU A 24 -0.604 -11.403 9.267 1.00 0.00 C ATOM 371 OE1 GLU A 24 -1.651 -10.748 9.454 1.00 0.00 O ATOM 372 OE2 GLU A 24 -0.565 -12.651 9.285 1.00 0.00 O ATOM 0 H GLU A 24 0.470 -6.968 7.578 1.00 0.00 H new ATOM 0 HA GLU A 24 2.204 -8.218 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.136 -8.728 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.160 -9.113 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.216 -11.116 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.326 -10.718 9.884 1.00 0.00 H new ATOM 379 N THR A 25 2.268 -9.441 6.367 1.00 0.00 N ATOM 380 CA THR A 25 3.092 -10.182 5.420 1.00 0.00 C ATOM 381 C THR A 25 4.439 -9.500 5.213 1.00 0.00 C ATOM 382 O THR A 25 5.417 -10.141 4.828 1.00 0.00 O ATOM 383 CB THR A 25 2.388 -10.329 4.058 1.00 0.00 C ATOM 384 OG1 THR A 25 3.191 -11.120 3.175 1.00 0.00 O ATOM 385 CG2 THR A 25 2.129 -8.967 3.433 1.00 0.00 C ATOM 0 H THR A 25 1.354 -9.167 6.006 1.00 0.00 H new ATOM 0 HA THR A 25 3.251 -11.172 5.846 1.00 0.00 H new ATOM 0 HB THR A 25 1.431 -10.824 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.736 -11.210 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.631 -9.096 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.494 -8.378 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.076 -8.449 3.284 1.00 0.00 H new ATOM 393 N ALA A 26 4.483 -8.197 5.470 1.00 0.00 N ATOM 394 CA ALA A 26 5.712 -7.429 5.314 1.00 0.00 C ATOM 395 C ALA A 26 6.598 -7.553 6.549 1.00 0.00 C ATOM 396 O ALA A 26 7.818 -7.425 6.463 1.00 0.00 O ATOM 397 CB ALA A 26 5.389 -5.968 5.037 1.00 0.00 C ATOM 0 H ALA A 26 3.682 -7.651 5.787 1.00 0.00 H new ATOM 0 HA ALA A 26 6.261 -7.836 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.316 -5.406 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.803 -5.892 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.816 -5.558 5.869 1.00 0.00 H new ATOM 403 N GLU A 27 5.974 -7.801 7.696 1.00 0.00 N ATOM 404 CA GLU A 27 6.707 -7.941 8.949 1.00 0.00 C ATOM 405 C GLU A 27 7.863 -8.925 8.796 1.00 0.00 C ATOM 406 O GLU A 27 9.018 -8.591 9.062 1.00 0.00 O ATOM 407 CB GLU A 27 5.770 -8.407 10.065 1.00 0.00 C ATOM 408 CG GLU A 27 6.362 -8.260 11.457 1.00 0.00 C ATOM 409 CD GLU A 27 5.778 -7.086 12.218 1.00 0.00 C ATOM 410 OE1 GLU A 27 4.545 -6.896 12.160 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.554 -6.357 12.872 1.00 0.00 O ATOM 0 H GLU A 27 4.964 -7.909 7.784 1.00 0.00 H new ATOM 0 HA GLU A 27 7.116 -6.965 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.843 -7.837 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.511 -9.453 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.188 -9.177 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.442 -8.136 11.377 1.00 0.00 H new ATOM 418 N LYS A 28 7.544 -10.141 8.366 1.00 0.00 N ATOM 419 CA LYS A 28 8.554 -11.176 8.176 1.00 0.00 C ATOM 420 C LYS A 28 9.712 -10.657 7.330 1.00 0.00 C ATOM 421 O LYS A 28 10.878 -10.860 7.667 1.00 0.00 O ATOM 422 CB LYS A 28 7.934 -12.406 7.511 1.00 0.00 C ATOM 423 CG LYS A 28 7.412 -13.434 8.499 1.00 0.00 C ATOM 424 CD LYS A 28 5.953 -13.770 8.237 1.00 0.00 C ATOM 425 CE LYS A 28 5.404 -14.726 9.285 1.00 0.00 C ATOM 426 NZ LYS A 28 6.066 -16.058 9.221 1.00 0.00 N ATOM 0 H LYS A 28 6.593 -10.434 8.142 1.00 0.00 H new ATOM 0 HA LYS A 28 8.940 -11.456 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.116 -12.086 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.680 -12.877 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.013 -14.341 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.522 -13.053 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.362 -12.854 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.853 -14.217 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.545 -14.297 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.330 -14.847 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.586 -16.716 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.012 -16.426 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.063 -15.964 9.501 1.00 0.00 H new ATOM 440 N ALA A 29 9.383 -9.985 6.232 1.00 0.00 N ATOM 441 CA ALA A 29 10.396 -9.434 5.341 1.00 0.00 C ATOM 442 C ALA A 29 11.268 -8.415 6.065 1.00 0.00 C ATOM 443 O ALA A 29 12.477 -8.344 5.839 1.00 0.00 O ATOM 444 CB ALA A 29 9.740 -8.800 4.123 1.00 0.00 C ATOM 0 H ALA A 29 8.422 -9.809 5.938 1.00 0.00 H new ATOM 0 HA ALA A 29 11.037 -10.252 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.509 -8.393 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.166 -9.554 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.075 -7.998 4.444 1.00 0.00 H new ATOM 450 N PHE A 30 10.649 -7.625 6.936 1.00 0.00 N ATOM 451 CA PHE A 30 11.369 -6.607 7.692 1.00 0.00 C ATOM 452 C PHE A 30 12.191 -7.241 8.811 1.00 0.00 C ATOM 453 O PHE A 30 13.260 -6.746 9.168 1.00 0.00 O ATOM 454 CB PHE A 30 10.389 -5.589 8.278 1.00 0.00 C ATOM 455 CG PHE A 30 9.949 -4.544 7.293 1.00 0.00 C ATOM 456 CD1 PHE A 30 10.873 -3.909 6.478 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.613 -4.197 7.181 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.471 -2.947 5.571 1.00 0.00 C ATOM 459 CE2 PHE A 30 8.205 -3.235 6.276 1.00 0.00 C ATOM 460 CZ PHE A 30 9.136 -2.610 5.469 1.00 0.00 C ATOM 0 H PHE A 30 9.650 -7.670 7.136 1.00 0.00 H new ATOM 0 HA PHE A 30 12.049 -6.096 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.511 -6.116 8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.855 -5.098 9.132 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.919 -4.169 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.881 -4.684 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.201 -2.459 4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.160 -2.972 6.200 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.820 -1.859 4.760 1.00 0.00 H new ATOM 470 N LYS A 31 11.684 -8.339 9.360 1.00 0.00 N ATOM 471 CA LYS A 31 12.369 -9.043 10.437 1.00 0.00 C ATOM 472 C LYS A 31 13.569 -9.820 9.903 1.00 0.00 C ATOM 473 O LYS A 31 14.645 -9.804 10.500 1.00 0.00 O ATOM 474 CB LYS A 31 11.405 -9.997 11.146 1.00 0.00 C ATOM 475 CG LYS A 31 10.257 -9.291 11.847 1.00 0.00 C ATOM 476 CD LYS A 31 10.308 -9.503 13.351 1.00 0.00 C ATOM 477 CE LYS A 31 8.914 -9.670 13.937 1.00 0.00 C ATOM 478 NZ LYS A 31 8.711 -11.032 14.504 1.00 0.00 N ATOM 0 H LYS A 31 10.800 -8.761 9.076 1.00 0.00 H new ATOM 0 HA LYS A 31 12.727 -8.301 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.999 -10.698 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.960 -10.584 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.296 -8.224 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.309 -9.662 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.906 -10.386 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.803 -8.654 13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.756 -8.925 14.717 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.170 -9.484 13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.750 -11.106 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.837 -11.742 13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.405 -11.200 15.260 1.00 0.00 H new ATOM 492 N GLN A 32 13.375 -10.497 8.776 1.00 0.00 N ATOM 493 CA GLN A 32 14.442 -11.279 8.162 1.00 0.00 C ATOM 494 C GLN A 32 15.705 -10.441 7.997 1.00 0.00 C ATOM 495 O GLN A 32 16.779 -10.820 8.465 1.00 0.00 O ATOM 496 CB GLN A 32 13.991 -11.816 6.803 1.00 0.00 C ATOM 497 CG GLN A 32 15.092 -12.530 6.035 1.00 0.00 C ATOM 498 CD GLN A 32 14.745 -13.972 5.722 1.00 0.00 C ATOM 499 OE1 GLN A 32 13.757 -14.251 5.042 1.00 0.00 O ATOM 500 NE2 GLN A 32 15.558 -14.898 6.218 1.00 0.00 N ATOM 0 H GLN A 32 12.490 -10.520 8.270 1.00 0.00 H new ATOM 0 HA GLN A 32 14.668 -12.118 8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.158 -12.504 6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.617 -10.988 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.285 -11.997 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.013 -12.500 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.366 -14.621 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.375 -15.886 6.040 1.00 0.00 H new ATOM 509 N TYR A 33 15.570 -9.301 7.329 1.00 0.00 N ATOM 510 CA TYR A 33 16.701 -8.410 7.100 1.00 0.00 C ATOM 511 C TYR A 33 17.400 -8.068 8.412 1.00 0.00 C ATOM 512 O TYR A 33 18.611 -7.852 8.445 1.00 0.00 O ATOM 513 CB TYR A 33 16.236 -7.128 6.408 1.00 0.00 C ATOM 514 CG TYR A 33 17.369 -6.206 6.017 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.839 -5.239 6.897 1.00 0.00 C ATOM 516 CD2 TYR A 33 17.968 -6.301 4.767 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.873 -4.394 6.544 1.00 0.00 C ATOM 518 CE2 TYR A 33 19.004 -5.461 4.406 1.00 0.00 C ATOM 519 CZ TYR A 33 19.453 -4.509 5.297 1.00 0.00 C ATOM 520 OH TYR A 33 20.484 -3.670 4.942 1.00 0.00 O ATOM 0 H TYR A 33 14.688 -8.972 6.936 1.00 0.00 H new ATOM 0 HA TYR A 33 17.412 -8.926 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.669 -7.392 5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.556 -6.593 7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.388 -5.146 7.874 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.618 -7.044 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.226 -3.647 7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.460 -5.550 3.431 1.00 0.00 H new ATOM 0 HH TYR A 33 20.781 -3.883 4.033 1.00 0.00 H new ATOM 530 N ALA A 34 16.627 -8.023 9.492 1.00 0.00 N ATOM 531 CA ALA A 34 17.170 -7.710 10.808 1.00 0.00 C ATOM 532 C ALA A 34 18.245 -8.714 11.211 1.00 0.00 C ATOM 533 O ALA A 34 19.364 -8.336 11.553 1.00 0.00 O ATOM 534 CB ALA A 34 16.057 -7.681 11.845 1.00 0.00 C ATOM 0 H ALA A 34 15.622 -8.199 9.481 1.00 0.00 H new ATOM 0 HA ALA A 34 17.631 -6.724 10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.477 -7.446 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.325 -6.921 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.570 -8.656 11.884 1.00 0.00 H new ATOM 540 N ASN A 35 17.896 -9.996 11.168 1.00 0.00 N ATOM 541 CA ASN A 35 18.832 -11.055 11.530 1.00 0.00 C ATOM 542 C ASN A 35 20.050 -11.042 10.612 1.00 0.00 C ATOM 543 O ASN A 35 21.172 -11.298 11.049 1.00 0.00 O ATOM 544 CB ASN A 35 18.142 -12.419 11.462 1.00 0.00 C ATOM 545 CG ASN A 35 17.594 -12.858 12.806 1.00 0.00 C ATOM 546 OD1 ASN A 35 17.436 -12.048 13.719 1.00 0.00 O ATOM 547 ND2 ASN A 35 17.301 -14.147 12.933 1.00 0.00 N ATOM 0 H ASN A 35 16.973 -10.327 10.886 1.00 0.00 H new ATOM 0 HA ASN A 35 19.168 -10.876 12.551 1.00 0.00 H new ATOM 0 HB2 ASN A 35 17.329 -12.376 10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 35 18.851 -13.164 11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.929 -14.501 13.814 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.448 -14.783 12.149 1.00 0.00 H new ATOM 554 N ASP A 36 19.820 -10.742 9.338 1.00 0.00 N ATOM 555 CA ASP A 36 20.899 -10.694 8.358 1.00 0.00 C ATOM 556 C ASP A 36 22.058 -9.844 8.867 1.00 0.00 C ATOM 557 O ASP A 36 23.223 -10.158 8.628 1.00 0.00 O ATOM 558 CB ASP A 36 20.385 -10.136 7.030 1.00 0.00 C ATOM 559 CG ASP A 36 19.234 -10.946 6.468 1.00 0.00 C ATOM 560 OD1 ASP A 36 18.894 -11.988 7.067 1.00 0.00 O ATOM 561 OD2 ASP A 36 18.673 -10.540 5.428 1.00 0.00 O ATOM 0 H ASP A 36 18.897 -10.529 8.960 1.00 0.00 H new ATOM 0 HA ASP A 36 21.260 -11.710 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 36 20.064 -9.104 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.200 -10.119 6.307 1.00 0.00 H new ATOM 566 N ASN A 37 21.730 -8.764 9.569 1.00 0.00 N ATOM 567 CA ASN A 37 22.744 -7.867 10.110 1.00 0.00 C ATOM 568 C ASN A 37 22.789 -7.952 11.633 1.00 0.00 C ATOM 569 O ASN A 37 23.227 -7.019 12.305 1.00 0.00 O ATOM 570 CB ASN A 37 22.465 -6.426 9.677 1.00 0.00 C ATOM 571 CG ASN A 37 22.217 -6.309 8.185 1.00 0.00 C ATOM 572 OD1 ASN A 37 21.289 -5.627 7.750 1.00 0.00 O ATOM 573 ND2 ASN A 37 23.049 -6.976 7.393 1.00 0.00 N ATOM 0 H ASN A 37 20.770 -8.489 9.776 1.00 0.00 H new ATOM 0 HA ASN A 37 23.713 -8.176 9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 37 21.597 -6.048 10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 37 23.311 -5.796 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 37 22.932 -6.935 6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 37 23.805 -7.529 7.797 1.00 0.00 H new ATOM 580 N GLY A 38 22.331 -9.078 12.171 1.00 0.00 N ATOM 581 CA GLY A 38 22.328 -9.265 13.611 1.00 0.00 C ATOM 582 C GLY A 38 21.719 -8.087 14.346 1.00 0.00 C ATOM 583 O GLY A 38 22.313 -7.559 15.286 1.00 0.00 O ATOM 0 H GLY A 38 21.962 -9.864 11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.771 -10.170 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 38 23.350 -9.416 13.957 1.00 0.00 H new ATOM 587 N VAL A 39 20.531 -7.674 13.918 1.00 0.00 N ATOM 588 CA VAL A 39 19.841 -6.551 14.542 1.00 0.00 C ATOM 589 C VAL A 39 18.645 -7.026 15.360 1.00 0.00 C ATOM 590 O VAL A 39 17.718 -7.635 14.826 1.00 0.00 O ATOM 591 CB VAL A 39 19.358 -5.534 13.490 1.00 0.00 C ATOM 592 CG1 VAL A 39 18.851 -4.269 14.165 1.00 0.00 C ATOM 593 CG2 VAL A 39 20.475 -5.214 12.508 1.00 0.00 C ATOM 0 H VAL A 39 20.026 -8.100 13.141 1.00 0.00 H new ATOM 0 HA VAL A 39 20.560 -6.066 15.203 1.00 0.00 H new ATOM 0 HB VAL A 39 18.532 -5.976 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.514 -3.562 13.407 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.020 -4.517 14.825 1.00 0.00 H new ATOM 0 HG13 VAL A 39 19.655 -3.820 14.748 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.117 -4.494 11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 39 21.323 -4.791 13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.786 -6.127 12.001 1.00 0.00 H new ATOM 603 N ASP A 40 18.674 -6.744 16.657 1.00 0.00 N ATOM 604 CA ASP A 40 17.591 -7.141 17.550 1.00 0.00 C ATOM 605 C ASP A 40 17.089 -5.950 18.359 1.00 0.00 C ATOM 606 O ASP A 40 17.822 -5.384 19.169 1.00 0.00 O ATOM 607 CB ASP A 40 18.059 -8.252 18.491 1.00 0.00 C ATOM 608 CG ASP A 40 16.957 -9.244 18.809 1.00 0.00 C ATOM 609 OD1 ASP A 40 15.771 -8.879 18.666 1.00 0.00 O ATOM 610 OD2 ASP A 40 17.280 -10.385 19.202 1.00 0.00 O ATOM 0 H ASP A 40 19.435 -6.242 17.114 1.00 0.00 H new ATOM 0 HA ASP A 40 16.769 -7.515 16.940 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.898 -8.779 18.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.424 -7.809 19.418 1.00 0.00 H new ATOM 615 N GLY A 41 15.834 -5.573 18.133 1.00 0.00 N ATOM 616 CA GLY A 41 15.256 -4.450 18.848 1.00 0.00 C ATOM 617 C GLY A 41 13.752 -4.566 18.992 1.00 0.00 C ATOM 618 O GLY A 41 13.201 -5.667 18.961 1.00 0.00 O ATOM 0 H GLY A 41 15.207 -6.025 17.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.708 -4.382 19.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.497 -3.526 18.323 1.00 0.00 H new ATOM 622 N VAL A 42 13.084 -3.428 19.151 1.00 0.00 N ATOM 623 CA VAL A 42 11.634 -3.406 19.301 1.00 0.00 C ATOM 624 C VAL A 42 10.959 -2.884 18.039 1.00 0.00 C ATOM 625 O VAL A 42 11.333 -1.837 17.510 1.00 0.00 O ATOM 626 CB VAL A 42 11.206 -2.535 20.497 1.00 0.00 C ATOM 627 CG1 VAL A 42 11.775 -3.092 21.794 1.00 0.00 C ATOM 628 CG2 VAL A 42 11.644 -1.093 20.289 1.00 0.00 C ATOM 0 H VAL A 42 13.524 -2.508 19.179 1.00 0.00 H new ATOM 0 HA VAL A 42 11.319 -4.434 19.479 1.00 0.00 H new ATOM 0 HB VAL A 42 10.118 -2.554 20.568 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.462 -2.464 22.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.407 -4.107 21.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.863 -3.105 21.738 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.333 -0.492 21.143 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.729 -1.053 20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.184 -0.700 19.382 1.00 0.00 H new ATOM 638 N TRP A 43 9.962 -3.619 17.560 1.00 0.00 N ATOM 639 CA TRP A 43 9.233 -3.229 16.358 1.00 0.00 C ATOM 640 C TRP A 43 7.970 -2.453 16.716 1.00 0.00 C ATOM 641 O TRP A 43 7.181 -2.883 17.557 1.00 0.00 O ATOM 642 CB TRP A 43 8.870 -4.465 15.533 1.00 0.00 C ATOM 643 CG TRP A 43 10.042 -5.356 15.252 1.00 0.00 C ATOM 644 CD1 TRP A 43 10.517 -6.360 16.046 1.00 0.00 C ATOM 645 CD2 TRP A 43 10.887 -5.322 14.097 1.00 0.00 C ATOM 646 NE1 TRP A 43 11.607 -6.952 15.454 1.00 0.00 N ATOM 647 CE2 TRP A 43 11.853 -6.334 14.257 1.00 0.00 C ATOM 648 CE3 TRP A 43 10.920 -4.536 12.942 1.00 0.00 C ATOM 649 CZ2 TRP A 43 12.840 -6.578 13.306 1.00 0.00 C ATOM 650 CZ3 TRP A 43 11.901 -4.779 11.999 1.00 0.00 C ATOM 651 CH2 TRP A 43 12.849 -5.793 12.185 1.00 0.00 C ATOM 0 H TRP A 43 9.640 -4.488 17.985 1.00 0.00 H new ATOM 0 HA TRP A 43 9.879 -2.582 15.765 1.00 0.00 H new ATOM 0 HB2 TRP A 43 8.107 -5.036 16.063 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.430 -4.146 14.588 1.00 0.00 H new ATOM 0 HD1 TRP A 43 10.098 -6.647 16.999 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.145 -7.726 15.843 1.00 0.00 H new ATOM 0 HE3 TRP A 43 10.192 -3.753 12.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 13.572 -7.359 13.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 11.937 -4.177 11.103 1.00 0.00 H new ATOM 0 HH2 TRP A 43 13.602 -5.959 11.429 1.00 0.00 H new ATOM 662 N THR A 44 7.784 -1.305 16.071 1.00 0.00 N ATOM 663 CA THR A 44 6.617 -0.468 16.321 1.00 0.00 C ATOM 664 C THR A 44 6.083 0.132 15.026 1.00 0.00 C ATOM 665 O THR A 44 6.765 0.917 14.367 1.00 0.00 O ATOM 666 CB THR A 44 6.944 0.670 17.306 1.00 0.00 C ATOM 667 OG1 THR A 44 8.078 1.410 16.840 1.00 0.00 O ATOM 668 CG2 THR A 44 7.227 0.120 18.695 1.00 0.00 C ATOM 0 H THR A 44 8.427 -0.934 15.372 1.00 0.00 H new ATOM 0 HA THR A 44 5.854 -1.111 16.761 1.00 0.00 H new ATOM 0 HB THR A 44 6.078 1.330 17.364 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.025 1.512 15.867 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.455 0.943 19.373 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.351 -0.417 19.059 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.078 -0.560 18.651 1.00 0.00 H new ATOM 676 N TYR A 45 4.859 -0.240 14.667 1.00 0.00 N ATOM 677 CA TYR A 45 4.234 0.261 13.449 1.00 0.00 C ATOM 678 C TYR A 45 2.778 0.640 13.701 1.00 0.00 C ATOM 679 O TYR A 45 2.057 -0.059 14.413 1.00 0.00 O ATOM 680 CB TYR A 45 4.315 -0.789 12.340 1.00 0.00 C ATOM 681 CG TYR A 45 3.079 -1.653 12.232 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.782 -2.600 13.204 1.00 0.00 C ATOM 683 CD2 TYR A 45 2.207 -1.520 11.159 1.00 0.00 C ATOM 684 CE1 TYR A 45 1.654 -3.392 13.109 1.00 0.00 C ATOM 685 CE2 TYR A 45 1.075 -2.307 11.056 1.00 0.00 C ATOM 686 CZ TYR A 45 0.804 -3.241 12.034 1.00 0.00 C ATOM 687 OH TYR A 45 -0.322 -4.027 11.936 1.00 0.00 O ATOM 0 H TYR A 45 4.280 -0.887 15.203 1.00 0.00 H new ATOM 0 HA TYR A 45 4.774 1.154 13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.481 -0.287 11.387 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.180 -1.428 12.519 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.444 -2.719 14.049 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.417 -0.789 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.439 -4.125 13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.407 -2.191 10.215 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.814 -3.794 11.121 1.00 0.00 H new ATOM 697 N ASP A 46 2.353 1.752 13.111 1.00 0.00 N ATOM 698 CA ASP A 46 0.982 2.225 13.268 1.00 0.00 C ATOM 699 C ASP A 46 0.199 2.064 11.969 1.00 0.00 C ATOM 700 O ASP A 46 0.676 2.434 10.895 1.00 0.00 O ATOM 701 CB ASP A 46 0.973 3.690 13.705 1.00 0.00 C ATOM 702 CG ASP A 46 -0.390 4.334 13.545 1.00 0.00 C ATOM 703 OD1 ASP A 46 -1.400 3.675 13.871 1.00 0.00 O ATOM 704 OD2 ASP A 46 -0.448 5.497 13.094 1.00 0.00 O ATOM 0 H ASP A 46 2.938 2.343 12.520 1.00 0.00 H new ATOM 0 HA ASP A 46 0.501 1.621 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.283 3.757 14.748 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.705 4.245 13.119 1.00 0.00 H new ATOM 709 N ASP A 47 -1.003 1.509 12.073 1.00 0.00 N ATOM 710 CA ASP A 47 -1.852 1.298 10.907 1.00 0.00 C ATOM 711 C ASP A 47 -1.988 2.583 10.095 1.00 0.00 C ATOM 712 O ASP A 47 -1.806 2.581 8.877 1.00 0.00 O ATOM 713 CB ASP A 47 -3.234 0.805 11.338 1.00 0.00 C ATOM 714 CG ASP A 47 -4.310 1.134 10.321 1.00 0.00 C ATOM 715 OD1 ASP A 47 -4.450 0.376 9.339 1.00 0.00 O ATOM 716 OD2 ASP A 47 -5.012 2.149 10.509 1.00 0.00 O ATOM 0 H ASP A 47 -1.412 1.197 12.954 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.384 0.540 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.200 -0.274 11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.494 1.255 12.296 1.00 0.00 H new ATOM 721 N ALA A 48 -2.309 3.677 10.777 1.00 0.00 N ATOM 722 CA ALA A 48 -2.469 4.968 10.119 1.00 0.00 C ATOM 723 C ALA A 48 -1.281 5.272 9.211 1.00 0.00 C ATOM 724 O ALA A 48 -1.451 5.717 8.076 1.00 0.00 O ATOM 725 CB ALA A 48 -2.640 6.070 11.154 1.00 0.00 C ATOM 0 H ALA A 48 -2.463 3.695 11.785 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.365 4.924 9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.758 7.029 10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.524 5.867 11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.760 6.105 11.797 1.00 0.00 H new ATOM 731 N THR A 49 -0.077 5.029 9.719 1.00 0.00 N ATOM 732 CA THR A 49 1.139 5.278 8.955 1.00 0.00 C ATOM 733 C THR A 49 1.714 3.981 8.398 1.00 0.00 C ATOM 734 O THR A 49 1.103 2.918 8.514 1.00 0.00 O ATOM 735 CB THR A 49 2.211 5.973 9.816 1.00 0.00 C ATOM 736 OG1 THR A 49 3.262 6.471 8.982 1.00 0.00 O ATOM 737 CG2 THR A 49 2.786 5.011 10.845 1.00 0.00 C ATOM 0 H THR A 49 0.082 4.660 10.656 1.00 0.00 H new ATOM 0 HA THR A 49 0.864 5.935 8.129 1.00 0.00 H new ATOM 0 HB THR A 49 1.740 6.804 10.342 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.891 6.746 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.541 5.524 11.441 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.988 4.656 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.242 4.162 10.335 1.00 0.00 H new ATOM 745 N LYS A 50 2.893 4.074 7.792 1.00 0.00 N ATOM 746 CA LYS A 50 3.553 2.907 7.218 1.00 0.00 C ATOM 747 C LYS A 50 5.056 2.952 7.471 1.00 0.00 C ATOM 748 O LYS A 50 5.852 2.533 6.630 1.00 0.00 O ATOM 749 CB LYS A 50 3.281 2.831 5.714 1.00 0.00 C ATOM 750 CG LYS A 50 1.803 2.852 5.361 1.00 0.00 C ATOM 751 CD LYS A 50 1.419 4.139 4.650 1.00 0.00 C ATOM 752 CE LYS A 50 1.082 5.244 5.641 1.00 0.00 C ATOM 753 NZ LYS A 50 0.377 6.380 4.986 1.00 0.00 N ATOM 0 H LYS A 50 3.411 4.946 7.686 1.00 0.00 H new ATOM 0 HA LYS A 50 3.148 2.018 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.776 3.668 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.728 1.919 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.568 1.999 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.209 2.745 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.240 4.461 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.562 3.956 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.457 4.840 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.998 5.606 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.165 7.112 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.983 6.783 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.510 6.040 4.563 1.00 0.00 H new ATOM 767 N THR A 51 5.440 3.463 8.637 1.00 0.00 N ATOM 768 CA THR A 51 6.848 3.562 9.002 1.00 0.00 C ATOM 769 C THR A 51 7.202 2.570 10.103 1.00 0.00 C ATOM 770 O THR A 51 6.451 2.398 11.063 1.00 0.00 O ATOM 771 CB THR A 51 7.207 4.984 9.473 1.00 0.00 C ATOM 772 OG1 THR A 51 7.104 5.903 8.380 1.00 0.00 O ATOM 773 CG2 THR A 51 8.616 5.025 10.045 1.00 0.00 C ATOM 0 H THR A 51 4.795 3.815 9.345 1.00 0.00 H new ATOM 0 HA THR A 51 7.424 3.327 8.107 1.00 0.00 H new ATOM 0 HB THR A 51 6.505 5.271 10.256 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.332 6.805 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.847 6.039 10.371 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.683 4.346 10.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.329 4.719 9.279 1.00 0.00 H new ATOM 781 N PHE A 52 8.352 1.918 9.959 1.00 0.00 N ATOM 782 CA PHE A 52 8.806 0.942 10.942 1.00 0.00 C ATOM 783 C PHE A 52 10.172 1.327 11.500 1.00 0.00 C ATOM 784 O PHE A 52 11.088 1.670 10.752 1.00 0.00 O ATOM 785 CB PHE A 52 8.873 -0.452 10.315 1.00 0.00 C ATOM 786 CG PHE A 52 7.524 -1.055 10.048 1.00 0.00 C ATOM 787 CD1 PHE A 52 6.645 -0.456 9.160 1.00 0.00 C ATOM 788 CD2 PHE A 52 7.134 -2.222 10.686 1.00 0.00 C ATOM 789 CE1 PHE A 52 5.403 -1.009 8.914 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.893 -2.780 10.443 1.00 0.00 C ATOM 791 CZ PHE A 52 5.027 -2.173 9.555 1.00 0.00 C ATOM 0 H PHE A 52 8.986 2.049 9.171 1.00 0.00 H new ATOM 0 HA PHE A 52 8.089 0.930 11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.428 -0.394 9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.433 -1.113 10.977 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.934 0.454 8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.808 -2.701 11.381 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.727 -0.531 8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.601 -3.689 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.057 -2.608 9.362 1.00 0.00 H new ATOM 801 N THR A 53 10.303 1.270 12.822 1.00 0.00 N ATOM 802 CA THR A 53 11.556 1.614 13.482 1.00 0.00 C ATOM 803 C THR A 53 12.029 0.482 14.387 1.00 0.00 C ATOM 804 O THR A 53 11.233 -0.136 15.093 1.00 0.00 O ATOM 805 CB THR A 53 11.416 2.900 14.318 1.00 0.00 C ATOM 806 OG1 THR A 53 10.900 3.960 13.504 1.00 0.00 O ATOM 807 CG2 THR A 53 12.757 3.312 14.907 1.00 0.00 C ATOM 0 H THR A 53 9.556 0.989 13.457 1.00 0.00 H new ATOM 0 HA THR A 53 12.293 1.779 12.696 1.00 0.00 H new ATOM 0 HB THR A 53 10.724 2.701 15.136 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.812 4.774 14.043 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.633 4.223 15.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.132 2.515 15.549 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.468 3.494 14.101 1.00 0.00 H new ATOM 815 N VAL A 54 13.332 0.217 14.363 1.00 0.00 N ATOM 816 CA VAL A 54 13.912 -0.840 15.183 1.00 0.00 C ATOM 817 C VAL A 54 15.111 -0.327 15.972 1.00 0.00 C ATOM 818 O VAL A 54 16.110 0.106 15.396 1.00 0.00 O ATOM 819 CB VAL A 54 14.352 -2.040 14.323 1.00 0.00 C ATOM 820 CG1 VAL A 54 15.295 -1.588 13.218 1.00 0.00 C ATOM 821 CG2 VAL A 54 15.006 -3.105 15.191 1.00 0.00 C ATOM 0 H VAL A 54 14.005 0.720 13.785 1.00 0.00 H new ATOM 0 HA VAL A 54 13.136 -1.165 15.876 1.00 0.00 H new ATOM 0 HB VAL A 54 13.468 -2.475 13.857 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.595 -2.449 12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.788 -0.864 12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 54 16.178 -1.127 13.660 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.311 -3.946 14.568 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.881 -2.684 15.686 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.295 -3.449 15.942 1.00 0.00 H new ATOM 831 N THR A 55 15.006 -0.378 17.297 1.00 0.00 N ATOM 832 CA THR A 55 16.082 0.081 18.167 1.00 0.00 C ATOM 833 C THR A 55 16.615 -1.056 19.030 1.00 0.00 C ATOM 834 O THR A 55 15.849 -1.754 19.694 1.00 0.00 O ATOM 835 CB THR A 55 15.612 1.229 19.081 1.00 0.00 C ATOM 836 OG1 THR A 55 15.100 2.307 18.290 1.00 0.00 O ATOM 837 CG2 THR A 55 16.756 1.730 19.951 1.00 0.00 C ATOM 0 H THR A 55 14.187 -0.733 17.790 1.00 0.00 H new ATOM 0 HA THR A 55 16.880 0.445 17.519 1.00 0.00 H new ATOM 0 HB THR A 55 14.823 0.848 19.729 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.802 3.032 18.879 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.401 2.540 20.588 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.124 0.914 20.573 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.563 2.095 19.316 1.00 0.00 H new ATOM 845 N GLU A 56 17.932 -1.236 19.017 1.00 0.00 N ATOM 846 CA GLU A 56 18.566 -2.290 19.800 1.00 0.00 C ATOM 847 C GLU A 56 18.700 -1.875 21.263 1.00 0.00 C ATOM 848 O GLU A 56 19.537 -2.431 21.973 1.00 0.00 O ATOM 849 CB GLU A 56 19.944 -2.624 19.225 1.00 0.00 C ATOM 850 CG GLU A 56 19.891 -3.529 18.006 1.00 0.00 C ATOM 851 CD GLU A 56 21.130 -3.414 17.139 1.00 0.00 C ATOM 852 OE1 GLU A 56 22.246 -3.570 17.678 1.00 0.00 O ATOM 853 OE2 GLU A 56 20.985 -3.169 15.924 1.00 0.00 O ATOM 0 H GLU A 56 18.580 -0.666 18.473 1.00 0.00 H new ATOM 0 HA GLU A 56 17.934 -3.177 19.748 1.00 0.00 H new ATOM 0 HB2 GLU A 56 20.451 -1.697 18.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.544 -3.104 19.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.774 -4.563 18.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.012 -3.280 17.412 1.00 0.00 H new TER 860 GLU A 56