USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -18:sc= 0.791 USER MOD Set 1.2: A 52 THR OG1 : rot 179:sc= -0.454 USER MOD Set 2.1: A 17 THR OG1 : rot -162:sc= 1.39 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0.938 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.52 (180deg=1.52) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 90:sc= -0.0835 USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0.968 (180deg=0.94) USER MOD Single : A 9 ASN : amide:sc= 0.115 K(o=0.12,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -42:sc= 0.56 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.176) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD Single : A 36 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.533 K(o=-0.53,f=0.23) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 46 TYR OH : rot -144:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.373 0.866 1.462 1.00 0.00 N ATOM 2 CA MET A 1 -15.709 0.166 0.356 1.00 0.00 C ATOM 3 C MET A 1 -15.156 -1.154 0.870 1.00 0.00 C ATOM 4 O MET A 1 -15.704 -2.208 0.535 1.00 0.00 O ATOM 5 CB MET A 1 -14.632 1.024 -0.315 1.00 0.00 C ATOM 6 CG MET A 1 -14.598 0.728 -1.810 1.00 0.00 C ATOM 7 SD MET A 1 -15.968 1.444 -2.746 1.00 0.00 S ATOM 8 CE MET A 1 -15.535 0.815 -4.388 1.00 0.00 C ATOM 0 H1 MET A 1 -16.755 1.771 1.121 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.149 0.279 1.828 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.686 1.045 2.222 1.00 0.00 H new ATOM 0 HA MET A 1 -16.443 -0.036 -0.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.839 2.081 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.659 0.816 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.660 1.101 -2.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.601 -0.352 -1.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.273 1.155 -5.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.550 1.186 -4.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.521 -0.275 -4.368 1.00 0.00 H new ATOM 18 N GLY A 2 -14.093 -1.130 1.683 1.00 0.00 N ATOM 19 CA GLY A 2 -13.523 -2.336 2.232 1.00 0.00 C ATOM 20 C GLY A 2 -12.238 -2.008 2.962 1.00 0.00 C ATOM 21 O GLY A 2 -11.912 -0.831 3.140 1.00 0.00 O ATOM 0 H GLY A 2 -13.617 -0.274 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.231 -2.806 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.327 -3.052 1.434 1.00 0.00 H new ATOM 25 N THR A 3 -11.556 -3.050 3.420 1.00 0.00 N ATOM 26 CA THR A 3 -10.287 -2.965 4.118 1.00 0.00 C ATOM 27 C THR A 3 -9.240 -3.350 3.064 1.00 0.00 C ATOM 28 O THR A 3 -9.473 -4.253 2.249 1.00 0.00 O ATOM 29 CB THR A 3 -10.311 -3.774 5.436 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.029 -3.915 6.008 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.895 -5.183 5.323 1.00 0.00 C ATOM 0 H THR A 3 -11.886 -4.009 3.310 1.00 0.00 H new ATOM 0 HA THR A 3 -10.039 -1.973 4.494 1.00 0.00 H new ATOM 0 HB THR A 3 -10.966 -3.172 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.096 -4.431 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.867 -5.668 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.927 -5.123 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.308 -5.764 4.612 1.00 0.00 H new ATOM 39 N TYR A 4 -8.105 -2.654 3.050 1.00 0.00 N ATOM 40 CA TYR A 4 -7.024 -2.850 2.099 1.00 0.00 C ATOM 41 C TYR A 4 -5.681 -2.943 2.842 1.00 0.00 C ATOM 42 O TYR A 4 -5.380 -2.040 3.630 1.00 0.00 O ATOM 43 CB TYR A 4 -7.061 -1.680 1.096 1.00 0.00 C ATOM 44 CG TYR A 4 -8.366 -1.426 0.332 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.525 -1.946 -0.968 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.389 -0.599 0.858 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.659 -1.628 -1.741 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.511 -0.262 0.078 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.640 -0.758 -1.231 1.00 0.00 C ATOM 50 OH TYR A 4 -11.719 -0.411 -1.981 1.00 0.00 O ATOM 0 H TYR A 4 -7.911 -1.914 3.725 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.142 -3.786 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.809 -0.768 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.272 -1.844 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.767 -2.597 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.307 -0.224 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.776 -2.053 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.276 0.381 0.487 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.445 -1.051 -1.826 1.00 0.00 H new ATOM 60 N LYS A 5 -4.820 -3.948 2.574 1.00 0.00 N ATOM 61 CA LYS A 5 -3.518 -4.089 3.267 1.00 0.00 C ATOM 62 C LYS A 5 -2.368 -3.575 2.387 1.00 0.00 C ATOM 63 O LYS A 5 -2.326 -3.883 1.206 1.00 0.00 O ATOM 64 CB LYS A 5 -3.330 -5.547 3.699 1.00 0.00 C ATOM 65 CG LYS A 5 -2.232 -5.664 4.762 1.00 0.00 C ATOM 66 CD LYS A 5 -1.915 -7.113 5.133 1.00 0.00 C ATOM 67 CE LYS A 5 -0.804 -7.167 6.187 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.237 -8.520 6.365 1.00 0.00 N ATOM 0 H LYS A 5 -5.002 -4.675 1.882 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.509 -3.471 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.268 -5.937 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.071 -6.157 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.326 -5.181 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.541 -5.124 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.811 -7.601 5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.608 -7.663 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.007 -6.481 5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.199 -6.817 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.585 -8.471 7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.957 -9.147 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.060 -8.896 5.442 1.00 0.00 H new ATOM 82 N LEU A 6 -1.512 -2.683 2.895 1.00 0.00 N ATOM 83 CA LEU A 6 -0.371 -2.071 2.198 1.00 0.00 C ATOM 84 C LEU A 6 0.977 -2.314 2.890 1.00 0.00 C ATOM 85 O LEU A 6 1.169 -1.871 4.019 1.00 0.00 O ATOM 86 CB LEU A 6 -0.652 -0.578 2.021 1.00 0.00 C ATOM 87 CG LEU A 6 -0.154 -0.017 0.680 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.685 1.412 0.538 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.364 -0.017 0.530 1.00 0.00 C ATOM 0 H LEU A 6 -1.599 -2.349 3.855 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.273 -2.554 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.725 -0.406 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.179 -0.028 2.834 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.528 -0.673 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.345 1.834 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.775 1.399 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.314 2.022 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.633 0.394 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.807 0.593 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.737 -1.038 0.609 1.00 0.00 H new ATOM 101 N ILE A 7 1.912 -3.035 2.283 1.00 0.00 N ATOM 102 CA ILE A 7 3.253 -3.372 2.771 1.00 0.00 C ATOM 103 C ILE A 7 4.332 -2.880 1.798 1.00 0.00 C ATOM 104 O ILE A 7 4.172 -3.104 0.599 1.00 0.00 O ATOM 105 CB ILE A 7 3.400 -4.867 3.136 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.888 -5.302 3.182 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.579 -5.775 2.217 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.179 -6.599 3.944 1.00 0.00 C ATOM 0 H ILE A 7 1.742 -3.434 1.360 1.00 0.00 H new ATOM 0 HA ILE A 7 3.402 -2.837 3.709 1.00 0.00 H new ATOM 0 HB ILE A 7 2.992 -4.983 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.246 -5.416 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.468 -4.498 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.717 -6.814 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.524 -5.512 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.911 -5.646 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.248 -6.807 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.861 -6.491 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.635 -7.423 3.482 1.00 0.00 H new ATOM 120 N LEU A 8 5.380 -2.186 2.285 1.00 0.00 N ATOM 121 CA LEU A 8 6.506 -1.629 1.514 1.00 0.00 C ATOM 122 C LEU A 8 7.796 -2.349 1.919 1.00 0.00 C ATOM 123 O LEU A 8 7.930 -2.697 3.101 1.00 0.00 O ATOM 124 CB LEU A 8 6.662 -0.099 1.682 1.00 0.00 C ATOM 125 CG LEU A 8 5.458 0.799 1.314 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.826 0.419 -0.034 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.379 0.842 2.405 1.00 0.00 C ATOM 0 H LEU A 8 5.467 -1.989 3.282 1.00 0.00 H new ATOM 0 HA LEU A 8 6.295 -1.795 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.919 0.098 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.512 0.218 1.078 1.00 0.00 H new ATOM 0 HG LEU A 8 5.878 1.801 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.986 1.082 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.570 0.517 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.474 -0.612 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.563 1.489 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.997 -0.164 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.810 1.232 3.327 1.00 0.00 H new ATOM 139 N ASN A 9 8.677 -2.640 0.939 1.00 0.00 N ATOM 140 CA ASN A 9 9.952 -3.330 1.136 1.00 0.00 C ATOM 141 C ASN A 9 11.142 -2.586 0.539 1.00 0.00 C ATOM 142 O ASN A 9 11.671 -3.020 -0.485 1.00 0.00 O ATOM 143 CB ASN A 9 9.878 -4.771 0.624 1.00 0.00 C ATOM 144 CG ASN A 9 8.866 -5.576 1.399 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.085 -5.892 2.565 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.749 -5.918 0.784 1.00 0.00 N ATOM 0 H ASN A 9 8.508 -2.391 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 9 10.126 -3.353 2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.613 -4.770 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.859 -5.239 0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.040 -6.459 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.595 -5.641 -0.186 1.00 0.00 H new ATOM 153 N GLY A 10 11.592 -1.492 1.151 1.00 0.00 N ATOM 154 CA GLY A 10 12.753 -0.768 0.660 1.00 0.00 C ATOM 155 C GLY A 10 14.021 -1.579 0.948 1.00 0.00 C ATOM 156 O GLY A 10 14.011 -2.522 1.747 1.00 0.00 O ATOM 0 H GLY A 10 11.167 -1.091 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.658 -0.590 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.816 0.208 1.141 1.00 0.00 H new ATOM 160 N LYS A 11 15.155 -1.169 0.370 1.00 0.00 N ATOM 161 CA LYS A 11 16.442 -1.858 0.549 1.00 0.00 C ATOM 162 C LYS A 11 16.770 -1.987 2.031 1.00 0.00 C ATOM 163 O LYS A 11 17.224 -3.034 2.488 1.00 0.00 O ATOM 164 CB LYS A 11 17.508 -1.085 -0.238 1.00 0.00 C ATOM 165 CG LYS A 11 18.900 -1.727 -0.312 1.00 0.00 C ATOM 166 CD LYS A 11 19.776 -0.873 -1.250 1.00 0.00 C ATOM 167 CE LYS A 11 21.067 -1.551 -1.721 1.00 0.00 C ATOM 168 NZ LYS A 11 22.006 -1.889 -0.636 1.00 0.00 N ATOM 0 H LYS A 11 15.209 -0.350 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 11 16.402 -2.876 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.144 -0.940 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.611 -0.096 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.347 -1.781 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.828 -2.749 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.186 -0.599 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.035 0.054 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.809 -2.463 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.571 -0.894 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.851 -2.343 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.284 -1.021 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.546 -2.542 0.030 1.00 0.00 H new ATOM 182 N THR A 12 16.603 -0.891 2.769 1.00 0.00 N ATOM 183 CA THR A 12 16.837 -0.801 4.202 1.00 0.00 C ATOM 184 C THR A 12 15.585 -0.350 4.976 1.00 0.00 C ATOM 185 O THR A 12 15.736 0.141 6.092 1.00 0.00 O ATOM 186 CB THR A 12 18.117 0.019 4.444 1.00 0.00 C ATOM 187 OG1 THR A 12 18.496 -0.043 5.802 1.00 0.00 O ATOM 188 CG2 THR A 12 18.012 1.484 4.011 1.00 0.00 C ATOM 0 H THR A 12 16.288 -0.009 2.365 1.00 0.00 H new ATOM 0 HA THR A 12 17.021 -1.789 4.623 1.00 0.00 H new ATOM 0 HB THR A 12 18.879 -0.440 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.701 0.047 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.954 1.992 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.797 1.533 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.210 1.971 4.566 1.00 0.00 H new ATOM 196 N LEU A 13 14.381 -0.373 4.389 1.00 0.00 N ATOM 197 CA LEU A 13 13.153 0.051 5.069 1.00 0.00 C ATOM 198 C LEU A 13 12.069 -1.012 4.939 1.00 0.00 C ATOM 199 O LEU A 13 12.029 -1.741 3.950 1.00 0.00 O ATOM 200 CB LEU A 13 12.651 1.382 4.487 1.00 0.00 C ATOM 201 CG LEU A 13 13.493 2.613 4.863 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.086 3.805 3.993 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.323 3.009 6.333 1.00 0.00 C ATOM 0 H LEU A 13 14.232 -0.686 3.430 1.00 0.00 H new ATOM 0 HA LEU A 13 13.381 0.189 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.622 1.298 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.627 1.545 4.822 1.00 0.00 H new ATOM 0 HG LEU A 13 14.537 2.346 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.685 4.674 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.251 3.563 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.031 4.028 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.938 3.883 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.277 3.245 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.633 2.181 6.971 1.00 0.00 H new ATOM 215 N LYS A 14 11.224 -1.141 5.961 1.00 0.00 N ATOM 216 CA LYS A 14 10.101 -2.074 6.010 1.00 0.00 C ATOM 217 C LYS A 14 8.918 -1.433 6.726 1.00 0.00 C ATOM 218 O LYS A 14 9.090 -0.429 7.431 1.00 0.00 O ATOM 219 CB LYS A 14 10.498 -3.406 6.676 1.00 0.00 C ATOM 220 CG LYS A 14 11.208 -4.309 5.664 1.00 0.00 C ATOM 221 CD LYS A 14 11.278 -5.769 6.130 1.00 0.00 C ATOM 222 CE LYS A 14 11.462 -6.692 4.922 1.00 0.00 C ATOM 223 NZ LYS A 14 12.594 -6.289 4.064 1.00 0.00 N ATOM 0 H LYS A 14 11.306 -0.578 6.808 1.00 0.00 H new ATOM 0 HA LYS A 14 9.806 -2.304 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.152 -3.215 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.610 -3.907 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.686 -4.260 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.218 -3.936 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.106 -5.898 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.366 -6.033 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.621 -7.712 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.547 -6.696 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.835 -7.068 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.328 -5.450 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.417 -6.064 4.658 1.00 0.00 H new ATOM 237 N GLY A 15 7.733 -2.011 6.544 1.00 0.00 N ATOM 238 CA GLY A 15 6.472 -1.590 7.143 1.00 0.00 C ATOM 239 C GLY A 15 5.311 -2.334 6.487 1.00 0.00 C ATOM 240 O GLY A 15 5.423 -2.750 5.333 1.00 0.00 O ATOM 0 H GLY A 15 7.622 -2.828 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.484 -1.789 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.342 -0.515 7.020 1.00 0.00 H new ATOM 244 N GLU A 16 4.210 -2.542 7.210 1.00 0.00 N ATOM 245 CA GLU A 16 2.998 -3.205 6.742 1.00 0.00 C ATOM 246 C GLU A 16 1.851 -2.498 7.437 1.00 0.00 C ATOM 247 O GLU A 16 1.927 -2.185 8.621 1.00 0.00 O ATOM 248 CB GLU A 16 3.010 -4.729 6.899 1.00 0.00 C ATOM 249 CG GLU A 16 2.827 -5.308 8.302 1.00 0.00 C ATOM 250 CD GLU A 16 2.786 -6.837 8.197 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.857 -7.475 8.251 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.670 -7.397 8.052 1.00 0.00 O ATOM 0 H GLU A 16 4.138 -2.238 8.181 1.00 0.00 H new ATOM 0 HA GLU A 16 2.897 -3.114 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.223 -5.136 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.958 -5.098 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.645 -4.995 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.906 -4.934 8.749 1.00 0.00 H new ATOM 259 N THR A 17 0.765 -2.236 6.729 1.00 0.00 N ATOM 260 CA THR A 17 -0.376 -1.499 7.238 1.00 0.00 C ATOM 261 C THR A 17 -1.664 -2.041 6.649 1.00 0.00 C ATOM 262 O THR A 17 -1.642 -2.774 5.663 1.00 0.00 O ATOM 263 CB THR A 17 -0.072 -0.063 6.752 1.00 0.00 C ATOM 264 OG1 THR A 17 1.014 0.411 7.527 1.00 0.00 O ATOM 265 CG2 THR A 17 -1.188 0.994 6.707 1.00 0.00 C ATOM 0 H THR A 17 0.651 -2.538 5.761 1.00 0.00 H new ATOM 0 HA THR A 17 -0.513 -1.564 8.317 1.00 0.00 H new ATOM 0 HB THR A 17 0.127 -0.183 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.064 1.387 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.782 1.937 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.982 0.657 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.592 1.139 7.709 1.00 0.00 H new ATOM 273 N THR A 18 -2.783 -1.691 7.272 1.00 0.00 N ATOM 274 CA THR A 18 -4.124 -2.057 6.857 1.00 0.00 C ATOM 275 C THR A 18 -4.928 -0.771 7.056 1.00 0.00 C ATOM 276 O THR A 18 -4.704 -0.037 8.036 1.00 0.00 O ATOM 277 CB THR A 18 -4.605 -3.330 7.593 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.488 -4.027 6.745 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.296 -3.094 8.941 1.00 0.00 C ATOM 0 H THR A 18 -2.776 -1.119 8.117 1.00 0.00 H new ATOM 0 HA THR A 18 -4.226 -2.372 5.818 1.00 0.00 H new ATOM 0 HB THR A 18 -3.704 -3.897 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.802 -4.839 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.592 -4.051 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.608 -2.590 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.180 -2.473 8.793 1.00 0.00 H new ATOM 287 N THR A 19 -5.834 -0.481 6.127 1.00 0.00 N ATOM 288 CA THR A 19 -6.671 0.706 6.130 1.00 0.00 C ATOM 289 C THR A 19 -8.090 0.324 5.735 1.00 0.00 C ATOM 290 O THR A 19 -8.330 -0.775 5.238 1.00 0.00 O ATOM 291 CB THR A 19 -6.089 1.770 5.180 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.718 1.213 3.936 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.843 2.441 5.752 1.00 0.00 C ATOM 0 H THR A 19 -6.009 -1.088 5.326 1.00 0.00 H new ATOM 0 HA THR A 19 -6.696 1.136 7.131 1.00 0.00 H new ATOM 0 HB THR A 19 -6.886 2.503 5.054 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.354 1.916 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.472 3.182 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.093 2.931 6.693 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.073 1.690 5.928 1.00 0.00 H new ATOM 301 N GLU A 20 -9.037 1.215 6.004 1.00 0.00 N ATOM 302 CA GLU A 20 -10.457 1.101 5.702 1.00 0.00 C ATOM 303 C GLU A 20 -10.813 2.397 4.970 1.00 0.00 C ATOM 304 O GLU A 20 -10.211 3.437 5.261 1.00 0.00 O ATOM 305 CB GLU A 20 -11.231 0.936 7.021 1.00 0.00 C ATOM 306 CG GLU A 20 -12.747 0.755 6.845 1.00 0.00 C ATOM 307 CD GLU A 20 -13.455 0.549 8.192 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.129 1.479 8.687 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.344 -0.567 8.761 1.00 0.00 O ATOM 0 H GLU A 20 -8.817 2.095 6.470 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.709 0.239 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.834 0.074 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.051 1.811 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.162 1.630 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.939 -0.101 6.199 1.00 0.00 H new ATOM 316 N ALA A 21 -11.748 2.356 4.018 1.00 0.00 N ATOM 317 CA ALA A 21 -12.157 3.539 3.276 1.00 0.00 C ATOM 318 C ALA A 21 -13.640 3.458 2.925 1.00 0.00 C ATOM 319 O ALA A 21 -14.143 2.385 2.564 1.00 0.00 O ATOM 320 CB ALA A 21 -11.332 3.644 1.988 1.00 0.00 C ATOM 0 H ALA A 21 -12.238 1.504 3.745 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.988 4.420 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.638 4.530 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.274 3.720 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.497 2.757 1.377 1.00 0.00 H new ATOM 326 N VAL A 22 -14.303 4.616 2.945 1.00 0.00 N ATOM 327 CA VAL A 22 -15.722 4.768 2.636 1.00 0.00 C ATOM 328 C VAL A 22 -15.968 4.375 1.177 1.00 0.00 C ATOM 329 O VAL A 22 -16.843 3.560 0.877 1.00 0.00 O ATOM 330 CB VAL A 22 -16.177 6.208 2.970 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.148 6.430 4.489 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.324 7.327 2.333 1.00 0.00 C ATOM 0 H VAL A 22 -13.852 5.499 3.184 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.327 4.101 3.251 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.181 6.280 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.470 7.447 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.820 5.721 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.134 6.280 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.722 8.299 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.293 7.238 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.355 7.234 1.247 1.00 0.00 H new ATOM 342 N ASP A 23 -15.119 4.864 0.278 1.00 0.00 N ATOM 343 CA ASP A 23 -15.131 4.619 -1.159 1.00 0.00 C ATOM 344 C ASP A 23 -13.649 4.477 -1.540 1.00 0.00 C ATOM 345 O ASP A 23 -12.793 5.029 -0.844 1.00 0.00 O ATOM 346 CB ASP A 23 -15.878 5.768 -1.842 1.00 0.00 C ATOM 347 CG ASP A 23 -15.729 5.764 -3.359 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.636 6.165 -3.828 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.706 5.433 -4.060 1.00 0.00 O ATOM 0 H ASP A 23 -14.355 5.482 0.553 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.659 3.720 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.936 5.707 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.510 6.716 -1.450 1.00 0.00 H new ATOM 354 N ALA A 24 -13.318 3.821 -2.652 1.00 0.00 N ATOM 355 CA ALA A 24 -11.928 3.599 -3.051 1.00 0.00 C ATOM 356 C ALA A 24 -11.104 4.834 -3.429 1.00 0.00 C ATOM 357 O ALA A 24 -9.877 4.744 -3.384 1.00 0.00 O ATOM 358 CB ALA A 24 -11.848 2.510 -4.124 1.00 0.00 C ATOM 0 H ALA A 24 -14.002 3.430 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.440 3.265 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.807 2.357 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.257 1.580 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.423 2.817 -4.998 1.00 0.00 H new ATOM 364 N ALA A 25 -11.705 5.986 -3.759 1.00 0.00 N ATOM 365 CA ALA A 25 -10.909 7.164 -4.122 1.00 0.00 C ATOM 366 C ALA A 25 -9.902 7.536 -3.022 1.00 0.00 C ATOM 367 O ALA A 25 -8.727 7.772 -3.314 1.00 0.00 O ATOM 368 CB ALA A 25 -11.793 8.368 -4.443 1.00 0.00 C ATOM 0 H ALA A 25 -12.715 6.125 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.353 6.893 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.166 9.220 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.447 8.126 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.397 8.619 -3.571 1.00 0.00 H new ATOM 374 N THR A 26 -10.338 7.564 -1.757 1.00 0.00 N ATOM 375 CA THR A 26 -9.450 7.894 -0.649 1.00 0.00 C ATOM 376 C THR A 26 -8.367 6.819 -0.504 1.00 0.00 C ATOM 377 O THR A 26 -7.258 7.154 -0.101 1.00 0.00 O ATOM 378 CB THR A 26 -10.218 8.072 0.673 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.304 8.967 0.528 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.321 8.661 1.770 1.00 0.00 C ATOM 0 H THR A 26 -11.299 7.362 -1.481 1.00 0.00 H new ATOM 0 HA THR A 26 -8.977 8.850 -0.877 1.00 0.00 H new ATOM 0 HB THR A 26 -10.567 7.076 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.771 9.056 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.896 8.773 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.478 7.993 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.951 9.636 1.453 1.00 0.00 H new ATOM 388 N ALA A 27 -8.669 5.547 -0.806 1.00 0.00 N ATOM 389 CA ALA A 27 -7.684 4.483 -0.696 1.00 0.00 C ATOM 390 C ALA A 27 -6.560 4.755 -1.693 1.00 0.00 C ATOM 391 O ALA A 27 -5.400 4.809 -1.296 1.00 0.00 O ATOM 392 CB ALA A 27 -8.323 3.109 -0.929 1.00 0.00 C ATOM 0 H ALA A 27 -9.587 5.240 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.273 4.467 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.562 2.334 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.102 2.939 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.760 3.076 -1.927 1.00 0.00 H new ATOM 398 N GLU A 28 -6.880 5.017 -2.962 1.00 0.00 N ATOM 399 CA GLU A 28 -5.854 5.294 -3.965 1.00 0.00 C ATOM 400 C GLU A 28 -5.054 6.546 -3.582 1.00 0.00 C ATOM 401 O GLU A 28 -3.830 6.579 -3.728 1.00 0.00 O ATOM 402 CB GLU A 28 -6.491 5.419 -5.354 1.00 0.00 C ATOM 403 CG GLU A 28 -5.433 5.723 -6.423 1.00 0.00 C ATOM 404 CD GLU A 28 -6.021 5.688 -7.826 1.00 0.00 C ATOM 405 OE1 GLU A 28 -5.891 4.646 -8.516 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.574 6.714 -8.280 1.00 0.00 O ATOM 0 H GLU A 28 -7.836 5.043 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.152 4.461 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.009 4.493 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.240 6.211 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.998 6.705 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.623 4.997 -6.350 1.00 0.00 H new ATOM 413 N LYS A 29 -5.734 7.574 -3.072 1.00 0.00 N ATOM 414 CA LYS A 29 -5.105 8.821 -2.654 1.00 0.00 C ATOM 415 C LYS A 29 -4.115 8.562 -1.531 1.00 0.00 C ATOM 416 O LYS A 29 -2.957 8.986 -1.595 1.00 0.00 O ATOM 417 CB LYS A 29 -6.207 9.795 -2.218 1.00 0.00 C ATOM 418 CG LYS A 29 -5.676 11.027 -1.477 1.00 0.00 C ATOM 419 CD LYS A 29 -6.831 11.971 -1.163 1.00 0.00 C ATOM 420 CE LYS A 29 -6.285 13.240 -0.518 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.336 14.261 -0.365 1.00 0.00 N ATOM 0 H LYS A 29 -6.745 7.561 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.546 9.260 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.762 10.121 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.912 9.269 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.180 10.724 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.931 11.538 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.372 12.218 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.541 11.485 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.863 13.001 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.474 13.639 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.932 15.112 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.721 14.506 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.098 13.887 0.236 1.00 0.00 H new ATOM 435 N VAL A 30 -4.575 7.888 -0.479 1.00 0.00 N ATOM 436 CA VAL A 30 -3.740 7.595 0.655 1.00 0.00 C ATOM 437 C VAL A 30 -2.595 6.685 0.237 1.00 0.00 C ATOM 438 O VAL A 30 -1.503 6.921 0.729 1.00 0.00 O ATOM 439 CB VAL A 30 -4.568 7.107 1.868 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.770 5.591 1.960 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.906 7.623 3.149 1.00 0.00 C ATOM 0 H VAL A 30 -5.530 7.538 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.272 8.511 1.015 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.571 7.512 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.362 5.356 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.291 5.239 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.800 5.098 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.478 7.288 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.889 7.237 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.880 8.713 3.132 1.00 0.00 H new ATOM 451 N PHE A 31 -2.763 5.764 -0.719 1.00 0.00 N ATOM 452 CA PHE A 31 -1.684 4.868 -1.115 1.00 0.00 C ATOM 453 C PHE A 31 -0.425 5.609 -1.562 1.00 0.00 C ATOM 454 O PHE A 31 0.660 5.224 -1.122 1.00 0.00 O ATOM 455 CB PHE A 31 -2.150 3.928 -2.235 1.00 0.00 C ATOM 456 CG PHE A 31 -3.066 2.771 -1.869 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.659 2.609 -0.596 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.330 1.823 -2.869 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.490 1.504 -0.332 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.147 0.716 -2.603 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.721 0.548 -1.333 1.00 0.00 C ATOM 0 H PHE A 31 -3.636 5.624 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.424 4.292 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.660 4.532 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.262 3.512 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.473 3.338 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.900 1.947 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.949 1.392 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.336 -0.011 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.338 -0.314 -1.127 1.00 0.00 H new ATOM 471 N LYS A 32 -0.518 6.670 -2.383 1.00 0.00 N ATOM 472 CA LYS A 32 0.699 7.372 -2.812 1.00 0.00 C ATOM 473 C LYS A 32 1.387 8.036 -1.620 1.00 0.00 C ATOM 474 O LYS A 32 2.574 7.818 -1.428 1.00 0.00 O ATOM 475 CB LYS A 32 0.389 8.374 -3.940 1.00 0.00 C ATOM 476 CG LYS A 32 1.609 9.213 -4.369 1.00 0.00 C ATOM 477 CD LYS A 32 1.323 10.032 -5.639 1.00 0.00 C ATOM 478 CE LYS A 32 2.444 11.037 -5.928 1.00 0.00 C ATOM 479 NZ LYS A 32 2.139 11.902 -7.092 1.00 0.00 N ATOM 0 H LYS A 32 -1.391 7.048 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 32 1.397 6.641 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.010 7.830 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.406 9.044 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.890 9.886 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.459 8.554 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.209 9.359 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.378 10.563 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.606 11.660 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.373 10.498 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.926 12.564 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.010 11.312 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.267 12.438 -6.907 1.00 0.00 H new ATOM 493 N GLN A 33 0.659 8.799 -0.801 1.00 0.00 N ATOM 494 CA GLN A 33 1.254 9.474 0.352 1.00 0.00 C ATOM 495 C GLN A 33 1.778 8.482 1.385 1.00 0.00 C ATOM 496 O GLN A 33 2.912 8.603 1.847 1.00 0.00 O ATOM 497 CB GLN A 33 0.212 10.416 0.995 1.00 0.00 C ATOM 498 CG GLN A 33 0.549 10.882 2.436 1.00 0.00 C ATOM 499 CD GLN A 33 0.205 9.883 3.549 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.984 9.627 4.459 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.981 9.292 3.506 1.00 0.00 N ATOM 0 H GLN A 33 -0.341 8.964 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 33 2.107 10.054 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.101 11.296 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.753 9.910 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.615 11.104 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.019 11.814 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.630 9.505 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.245 8.624 4.231 1.00 0.00 H new ATOM 510 N TYR A 34 0.938 7.515 1.739 1.00 0.00 N ATOM 511 CA TYR A 34 1.209 6.515 2.744 1.00 0.00 C ATOM 512 C TYR A 34 2.517 5.800 2.471 1.00 0.00 C ATOM 513 O TYR A 34 3.413 5.783 3.317 1.00 0.00 O ATOM 514 CB TYR A 34 0.035 5.528 2.863 1.00 0.00 C ATOM 515 CG TYR A 34 0.250 4.650 4.060 1.00 0.00 C ATOM 516 CD1 TYR A 34 0.915 3.421 3.943 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.005 5.196 5.322 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.452 2.801 5.075 1.00 0.00 C ATOM 519 CE2 TYR A 34 0.529 4.584 6.462 1.00 0.00 C ATOM 520 CZ TYR A 34 1.282 3.408 6.342 1.00 0.00 C ATOM 521 OH TYR A 34 1.801 2.881 7.476 1.00 0.00 O ATOM 0 H TYR A 34 0.017 7.410 1.313 1.00 0.00 H new ATOM 0 HA TYR A 34 1.314 7.020 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.905 6.072 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.039 4.921 1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.013 2.952 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.590 6.092 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.991 1.869 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.354 5.017 7.436 1.00 0.00 H new ATOM 0 HH TYR A 34 1.570 3.453 8.238 1.00 0.00 H new ATOM 531 N ALA A 35 2.634 5.247 1.269 1.00 0.00 N ATOM 532 CA ALA A 35 3.809 4.524 0.869 1.00 0.00 C ATOM 533 C ALA A 35 5.008 5.433 0.627 1.00 0.00 C ATOM 534 O ALA A 35 6.100 5.076 1.048 1.00 0.00 O ATOM 535 CB ALA A 35 3.434 3.721 -0.362 1.00 0.00 C ATOM 0 H ALA A 35 1.910 5.294 0.553 1.00 0.00 H new ATOM 0 HA ALA A 35 4.132 3.862 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.299 3.153 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.624 3.035 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.109 4.397 -1.153 1.00 0.00 H new ATOM 541 N ASN A 36 4.832 6.608 0.015 1.00 0.00 N ATOM 542 CA ASN A 36 5.956 7.503 -0.264 1.00 0.00 C ATOM 543 C ASN A 36 6.728 7.938 0.979 1.00 0.00 C ATOM 544 O ASN A 36 7.929 8.142 0.868 1.00 0.00 O ATOM 545 CB ASN A 36 5.527 8.684 -1.127 1.00 0.00 C ATOM 546 CG ASN A 36 6.725 9.376 -1.752 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.989 10.543 -1.480 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.433 8.691 -2.638 1.00 0.00 N ATOM 0 H ASN A 36 3.926 6.959 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 36 6.670 6.914 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.854 8.338 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.969 9.397 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.220 9.133 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.191 7.722 -2.845 1.00 0.00 H new ATOM 555 N ASP A 37 6.072 8.033 2.145 1.00 0.00 N ATOM 556 CA ASP A 37 6.718 8.420 3.420 1.00 0.00 C ATOM 557 C ASP A 37 7.672 7.311 3.898 1.00 0.00 C ATOM 558 O ASP A 37 8.502 7.511 4.779 1.00 0.00 O ATOM 559 CB ASP A 37 5.655 8.692 4.495 1.00 0.00 C ATOM 560 CG ASP A 37 6.131 9.608 5.627 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.330 10.818 5.378 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.182 9.189 6.807 1.00 0.00 O ATOM 0 H ASP A 37 5.074 7.844 2.237 1.00 0.00 H new ATOM 0 HA ASP A 37 7.293 9.330 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.782 9.141 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.334 7.742 4.922 1.00 0.00 H new ATOM 567 N ASN A 38 7.530 6.113 3.323 1.00 0.00 N ATOM 568 CA ASN A 38 8.305 4.899 3.576 1.00 0.00 C ATOM 569 C ASN A 38 9.500 4.819 2.591 1.00 0.00 C ATOM 570 O ASN A 38 10.079 3.746 2.399 1.00 0.00 O ATOM 571 CB ASN A 38 7.346 3.687 3.510 1.00 0.00 C ATOM 572 CG ASN A 38 7.720 2.507 4.401 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.880 2.180 4.629 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.735 1.815 4.936 1.00 0.00 N ATOM 0 H ASN A 38 6.814 5.957 2.614 1.00 0.00 H new ATOM 0 HA ASN A 38 8.749 4.905 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.345 4.022 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.297 3.340 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.940 1.015 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.767 2.080 4.752 1.00 0.00 H new ATOM 581 N GLY A 39 9.828 5.934 1.915 1.00 0.00 N ATOM 582 CA GLY A 39 10.928 6.109 0.963 1.00 0.00 C ATOM 583 C GLY A 39 10.896 5.189 -0.252 1.00 0.00 C ATOM 584 O GLY A 39 11.949 4.747 -0.717 1.00 0.00 O ATOM 0 H GLY A 39 9.291 6.794 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.924 7.142 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.870 5.954 1.490 1.00 0.00 H new ATOM 588 N VAL A 40 9.713 4.949 -0.814 1.00 0.00 N ATOM 589 CA VAL A 40 9.541 4.049 -1.950 1.00 0.00 C ATOM 590 C VAL A 40 9.520 4.628 -3.362 1.00 0.00 C ATOM 591 O VAL A 40 9.034 5.736 -3.619 1.00 0.00 O ATOM 592 CB VAL A 40 8.227 3.267 -1.785 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.188 2.512 -0.459 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.005 4.188 -1.861 1.00 0.00 C ATOM 0 H VAL A 40 8.844 5.375 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 40 10.454 3.456 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 40 8.191 2.555 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.246 1.971 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.017 1.805 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.274 3.220 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.097 3.598 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.062 4.934 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.986 4.689 -2.829 1.00 0.00 H new ATOM 604 N ASP A 41 10.187 3.893 -4.240 1.00 0.00 N ATOM 605 CA ASP A 41 10.304 4.038 -5.680 1.00 0.00 C ATOM 606 C ASP A 41 10.243 2.561 -6.119 1.00 0.00 C ATOM 607 O ASP A 41 11.220 1.853 -5.864 1.00 0.00 O ATOM 608 CB ASP A 41 11.531 4.859 -6.100 1.00 0.00 C ATOM 609 CG ASP A 41 11.200 5.646 -7.367 1.00 0.00 C ATOM 610 OD1 ASP A 41 11.599 5.226 -8.474 1.00 0.00 O ATOM 611 OD2 ASP A 41 10.468 6.662 -7.286 1.00 0.00 O ATOM 0 H ASP A 41 10.722 3.086 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 41 9.533 4.631 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.819 5.540 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.381 4.200 -6.279 1.00 0.00 H new ATOM 616 N GLY A 42 9.124 2.016 -6.616 1.00 0.00 N ATOM 617 CA GLY A 42 9.064 0.598 -6.997 1.00 0.00 C ATOM 618 C GLY A 42 7.772 0.173 -7.705 1.00 0.00 C ATOM 619 O GLY A 42 6.973 1.023 -8.119 1.00 0.00 O ATOM 0 H GLY A 42 8.255 2.530 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.908 0.376 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.186 -0.009 -6.100 1.00 0.00 H new ATOM 623 N GLU A 43 7.571 -1.137 -7.865 1.00 0.00 N ATOM 624 CA GLU A 43 6.422 -1.762 -8.527 1.00 0.00 C ATOM 625 C GLU A 43 5.458 -2.376 -7.512 1.00 0.00 C ATOM 626 O GLU A 43 5.884 -2.809 -6.438 1.00 0.00 O ATOM 627 CB GLU A 43 6.824 -2.725 -9.655 1.00 0.00 C ATOM 628 CG GLU A 43 7.309 -4.122 -9.224 1.00 0.00 C ATOM 629 CD GLU A 43 7.176 -5.143 -10.361 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.043 -5.353 -10.854 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.185 -5.781 -10.741 1.00 0.00 O ATOM 0 H GLU A 43 8.239 -1.826 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 43 5.874 -0.966 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.968 -2.850 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.614 -2.255 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.350 -4.064 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.731 -4.458 -8.363 1.00 0.00 H new ATOM 638 N TRP A 44 4.172 -2.396 -7.861 1.00 0.00 N ATOM 639 CA TRP A 44 3.060 -2.877 -7.050 1.00 0.00 C ATOM 640 C TRP A 44 2.406 -4.170 -7.553 1.00 0.00 C ATOM 641 O TRP A 44 2.029 -4.232 -8.727 1.00 0.00 O ATOM 642 CB TRP A 44 2.020 -1.737 -7.059 1.00 0.00 C ATOM 643 CG TRP A 44 2.409 -0.471 -6.346 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.467 0.310 -6.668 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.786 0.178 -5.188 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.600 1.312 -5.740 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.550 1.333 -4.856 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.666 -0.087 -4.369 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.220 2.180 -3.789 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.320 0.753 -3.290 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.099 1.888 -3.001 1.00 0.00 C ATOM 0 H TRP A 44 3.863 -2.056 -8.772 1.00 0.00 H new ATOM 0 HA TRP A 44 3.436 -3.128 -6.058 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.794 -1.489 -8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.099 -2.111 -6.612 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.109 0.166 -7.525 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.385 1.963 -5.711 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.058 -0.956 -4.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.824 3.050 -3.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.545 0.524 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.834 2.532 -2.175 1.00 0.00 H new ATOM 662 N THR A 45 2.178 -5.156 -6.684 1.00 0.00 N ATOM 663 CA THR A 45 1.528 -6.448 -6.956 1.00 0.00 C ATOM 664 C THR A 45 0.230 -6.506 -6.122 1.00 0.00 C ATOM 665 O THR A 45 0.081 -5.698 -5.194 1.00 0.00 O ATOM 666 CB THR A 45 2.511 -7.590 -6.654 1.00 0.00 C ATOM 667 OG1 THR A 45 3.091 -7.396 -5.377 1.00 0.00 O ATOM 668 CG2 THR A 45 3.607 -7.649 -7.725 1.00 0.00 C ATOM 0 H THR A 45 2.459 -5.072 -5.707 1.00 0.00 H new ATOM 0 HA THR A 45 1.254 -6.559 -8.005 1.00 0.00 H new ATOM 0 HB THR A 45 1.967 -8.535 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.716 -8.127 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.295 -8.463 -7.497 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.153 -7.820 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.153 -6.706 -7.739 1.00 0.00 H new ATOM 676 N TYR A 46 -0.722 -7.416 -6.410 1.00 0.00 N ATOM 677 CA TYR A 46 -1.984 -7.471 -5.659 1.00 0.00 C ATOM 678 C TYR A 46 -2.526 -8.875 -5.322 1.00 0.00 C ATOM 679 O TYR A 46 -2.495 -9.796 -6.135 1.00 0.00 O ATOM 680 CB TYR A 46 -3.027 -6.665 -6.443 1.00 0.00 C ATOM 681 CG TYR A 46 -4.365 -6.548 -5.745 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.452 -5.925 -4.485 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.516 -7.091 -6.345 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.688 -5.854 -3.822 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.760 -6.989 -5.704 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.844 -6.358 -4.444 1.00 0.00 C ATOM 687 OH TYR A 46 -8.044 -6.195 -3.832 1.00 0.00 O ATOM 0 H TYR A 46 -0.639 -8.114 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.773 -7.047 -4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.635 -5.664 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.176 -7.132 -7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.569 -5.502 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.442 -7.588 -7.301 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.750 -5.414 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.647 -7.390 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.601 -6.987 -3.987 1.00 0.00 H new ATOM 697 N ASP A 47 -3.072 -9.017 -4.103 1.00 0.00 N ATOM 698 CA ASP A 47 -3.684 -10.218 -3.523 1.00 0.00 C ATOM 699 C ASP A 47 -5.068 -9.790 -3.011 1.00 0.00 C ATOM 700 O ASP A 47 -5.187 -9.276 -1.898 1.00 0.00 O ATOM 701 CB ASP A 47 -2.793 -10.807 -2.405 1.00 0.00 C ATOM 702 CG ASP A 47 -2.068 -12.082 -2.831 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.750 -13.084 -3.123 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.808 -12.094 -2.796 1.00 0.00 O ATOM 0 H ASP A 47 -3.098 -8.234 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.787 -11.015 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.058 -10.061 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.409 -11.020 -1.531 1.00 0.00 H new ATOM 709 N ASP A 48 -6.133 -10.009 -3.792 1.00 0.00 N ATOM 710 CA ASP A 48 -7.512 -9.617 -3.447 1.00 0.00 C ATOM 711 C ASP A 48 -8.081 -10.239 -2.173 1.00 0.00 C ATOM 712 O ASP A 48 -8.963 -9.649 -1.550 1.00 0.00 O ATOM 713 CB ASP A 48 -8.473 -9.897 -4.615 1.00 0.00 C ATOM 714 CG ASP A 48 -9.791 -9.114 -4.508 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.861 -9.714 -4.269 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.794 -7.875 -4.703 1.00 0.00 O ATOM 0 H ASP A 48 -6.063 -10.472 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.434 -8.548 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.980 -9.642 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.692 -10.964 -4.650 1.00 0.00 H new ATOM 721 N ALA A 49 -7.556 -11.378 -1.721 1.00 0.00 N ATOM 722 CA ALA A 49 -8.045 -12.060 -0.528 1.00 0.00 C ATOM 723 C ALA A 49 -8.011 -11.182 0.725 1.00 0.00 C ATOM 724 O ALA A 49 -8.936 -11.211 1.533 1.00 0.00 O ATOM 725 CB ALA A 49 -7.205 -13.319 -0.281 1.00 0.00 C ATOM 0 H ALA A 49 -6.777 -11.853 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.088 -12.314 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.569 -13.830 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.286 -13.985 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.162 -13.038 -0.137 1.00 0.00 H new ATOM 731 N THR A 50 -6.949 -10.407 0.885 1.00 0.00 N ATOM 732 CA THR A 50 -6.666 -9.502 2.007 1.00 0.00 C ATOM 733 C THR A 50 -6.357 -8.085 1.495 1.00 0.00 C ATOM 734 O THR A 50 -5.840 -7.235 2.232 1.00 0.00 O ATOM 735 CB THR A 50 -5.593 -10.165 2.918 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.866 -9.268 3.729 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.583 -11.054 2.174 1.00 0.00 C ATOM 0 H THR A 50 -6.204 -10.387 0.188 1.00 0.00 H new ATOM 0 HA THR A 50 -7.537 -9.351 2.645 1.00 0.00 H new ATOM 0 HB THR A 50 -6.217 -10.790 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.965 -8.358 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.874 -11.474 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.112 -11.862 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.046 -10.457 1.437 1.00 0.00 H new ATOM 745 N LYS A 51 -6.666 -7.842 0.205 1.00 0.00 N ATOM 746 CA LYS A 51 -6.478 -6.642 -0.570 1.00 0.00 C ATOM 747 C LYS A 51 -5.065 -6.132 -0.311 1.00 0.00 C ATOM 748 O LYS A 51 -4.856 -4.944 -0.106 1.00 0.00 O ATOM 749 CB LYS A 51 -7.665 -5.687 -0.352 1.00 0.00 C ATOM 750 CG LYS A 51 -9.036 -6.292 -0.741 1.00 0.00 C ATOM 751 CD LYS A 51 -10.044 -5.219 -1.183 1.00 0.00 C ATOM 752 CE LYS A 51 -11.359 -5.887 -1.603 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.251 -4.992 -2.373 1.00 0.00 N ATOM 0 H LYS A 51 -7.098 -8.572 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.510 -6.797 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.693 -5.392 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.501 -4.780 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.897 -7.011 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.442 -6.841 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.225 -4.518 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.636 -4.643 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.135 -6.769 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.884 -6.232 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.121 -5.503 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.493 -4.162 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.767 -4.682 -3.240 1.00 0.00 H new ATOM 767 N THR A 52 -4.118 -7.069 -0.287 1.00 0.00 N ATOM 768 CA THR A 52 -2.717 -6.837 -0.027 1.00 0.00 C ATOM 769 C THR A 52 -2.014 -6.312 -1.259 1.00 0.00 C ATOM 770 O THR A 52 -1.921 -6.993 -2.279 1.00 0.00 O ATOM 771 CB THR A 52 -2.041 -8.097 0.540 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.751 -8.519 1.680 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.601 -7.832 0.983 1.00 0.00 C ATOM 0 H THR A 52 -4.327 -8.053 -0.457 1.00 0.00 H new ATOM 0 HA THR A 52 -2.636 -6.064 0.738 1.00 0.00 H new ATOM 0 HB THR A 52 -2.038 -8.847 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.339 -9.332 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.166 -8.751 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.015 -7.489 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.594 -7.067 1.759 1.00 0.00 H new ATOM 781 N PHE A 53 -1.529 -5.090 -1.136 1.00 0.00 N ATOM 782 CA PHE A 53 -0.779 -4.333 -2.099 1.00 0.00 C ATOM 783 C PHE A 53 0.635 -4.406 -1.539 1.00 0.00 C ATOM 784 O PHE A 53 0.913 -3.854 -0.468 1.00 0.00 O ATOM 785 CB PHE A 53 -1.315 -2.897 -2.177 1.00 0.00 C ATOM 786 CG PHE A 53 -2.557 -2.747 -3.037 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.439 -2.587 -4.432 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.833 -2.763 -2.443 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.583 -2.380 -5.221 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.978 -2.564 -3.233 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.850 -2.346 -4.617 1.00 0.00 C ATOM 0 H PHE A 53 -1.668 -4.561 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.838 -4.706 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.540 -2.549 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.532 -2.249 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.465 -2.624 -4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.932 -2.928 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.488 -2.247 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.957 -2.578 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.728 -2.152 -5.216 1.00 0.00 H new ATOM 801 N THR A 54 1.499 -5.132 -2.239 1.00 0.00 N ATOM 802 CA THR A 54 2.893 -5.329 -1.872 1.00 0.00 C ATOM 803 C THR A 54 3.774 -4.571 -2.860 1.00 0.00 C ATOM 804 O THR A 54 3.442 -4.490 -4.046 1.00 0.00 O ATOM 805 CB THR A 54 3.186 -6.840 -1.869 1.00 0.00 C ATOM 806 OG1 THR A 54 2.296 -7.482 -0.979 1.00 0.00 O ATOM 807 CG2 THR A 54 4.616 -7.186 -1.445 1.00 0.00 C ATOM 0 H THR A 54 1.240 -5.612 -3.101 1.00 0.00 H new ATOM 0 HA THR A 54 3.104 -4.941 -0.875 1.00 0.00 H new ATOM 0 HB THR A 54 3.057 -7.182 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.477 -8.445 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.750 -8.267 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.322 -6.719 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.795 -6.818 -0.435 1.00 0.00 H new ATOM 815 N VAL A 55 4.861 -3.986 -2.356 1.00 0.00 N ATOM 816 CA VAL A 55 5.841 -3.247 -3.134 1.00 0.00 C ATOM 817 C VAL A 55 7.198 -3.822 -2.758 1.00 0.00 C ATOM 818 O VAL A 55 7.455 -4.082 -1.575 1.00 0.00 O ATOM 819 CB VAL A 55 5.740 -1.736 -2.860 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.928 -0.927 -3.413 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.462 -1.173 -3.486 1.00 0.00 C ATOM 0 H VAL A 55 5.086 -4.018 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 55 5.671 -3.353 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 55 5.738 -1.634 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.788 0.129 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.852 -1.279 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.986 -1.058 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.400 -0.103 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.480 -1.341 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.595 -1.673 -3.055 1.00 0.00 H new ATOM 831 N THR A 56 8.042 -4.031 -3.763 1.00 0.00 N ATOM 832 CA THR A 56 9.385 -4.558 -3.619 1.00 0.00 C ATOM 833 C THR A 56 10.343 -3.603 -4.339 1.00 0.00 C ATOM 834 O THR A 56 10.181 -3.400 -5.546 1.00 0.00 O ATOM 835 CB THR A 56 9.418 -5.990 -4.178 1.00 0.00 C ATOM 836 OG1 THR A 56 8.461 -6.823 -3.539 1.00 0.00 O ATOM 837 CG2 THR A 56 10.795 -6.625 -3.986 1.00 0.00 C ATOM 0 H THR A 56 7.796 -3.829 -4.732 1.00 0.00 H new ATOM 0 HA THR A 56 9.698 -4.620 -2.577 1.00 0.00 H new ATOM 0 HB THR A 56 9.185 -5.910 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.507 -7.725 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.789 -7.637 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.546 -6.031 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.034 -6.661 -2.923 1.00 0.00 H new ATOM 845 N GLU A 57 11.281 -2.976 -3.619 1.00 0.00 N ATOM 846 CA GLU A 57 12.261 -2.071 -4.222 1.00 0.00 C ATOM 847 C GLU A 57 13.311 -2.960 -4.870 1.00 0.00 C ATOM 848 O GLU A 57 13.445 -2.951 -6.108 1.00 0.00 O ATOM 849 CB GLU A 57 12.877 -1.131 -3.166 1.00 0.00 C ATOM 850 CG GLU A 57 13.848 -0.091 -3.760 1.00 0.00 C ATOM 851 CD GLU A 57 14.903 0.389 -2.748 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.566 0.810 -1.621 1.00 0.00 O ATOM 853 OE2 GLU A 57 16.124 0.333 -3.063 1.00 0.00 O ATOM 0 H GLU A 57 11.380 -3.082 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 57 11.798 -1.417 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.075 -0.610 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.407 -1.729 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.351 -0.524 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.279 0.767 -4.119 1.00 0.00 H new