USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 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 33 GLN :FLIP amide:sc= 0 F(o=-0.058,f=0.91) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.329 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 0.545 (180deg=0.227) USER MOD Single : A 9 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -69:sc= 0.408 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 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 86:sc= 1.13 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.0099 (180deg=-0.386) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.5 K(o=1.5,f=-0.041) USER MOD Single : A 45 THR OG1 : rot -64:sc= 0.398 USER MOD Single : A 46 TYR OH : rot -140:sc= 1.25 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.33 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 -15.937 -0.454 0.759 1.00 0.00 N ATOM 2 CA MET A 1 -15.296 -1.034 -0.433 1.00 0.00 C ATOM 3 C MET A 1 -14.730 0.107 -1.289 1.00 0.00 C ATOM 4 O MET A 1 -14.875 1.280 -0.929 1.00 0.00 O ATOM 5 CB MET A 1 -16.247 -2.015 -1.150 1.00 0.00 C ATOM 6 CG MET A 1 -15.518 -2.942 -2.137 1.00 0.00 C ATOM 7 SD MET A 1 -16.179 -4.621 -2.296 1.00 0.00 S ATOM 8 CE MET A 1 -14.705 -5.438 -2.973 1.00 0.00 C ATOM 0 H1 MET A 1 -15.603 -0.951 1.609 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.693 0.554 0.829 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.969 -0.556 0.682 1.00 0.00 H new ATOM 0 HA MET A 1 -14.444 -1.660 -0.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.765 -2.620 -0.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.008 -1.449 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.533 -2.474 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.474 -3.013 -1.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.919 -6.494 -3.140 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.431 -4.969 -3.918 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.880 -5.342 -2.267 1.00 0.00 H new ATOM 18 N GLY A 2 -14.202 -0.208 -2.470 1.00 0.00 N ATOM 19 CA GLY A 2 -13.606 0.713 -3.420 1.00 0.00 C ATOM 20 C GLY A 2 -12.274 0.161 -3.908 1.00 0.00 C ATOM 21 O GLY A 2 -11.891 -0.969 -3.584 1.00 0.00 O ATOM 0 H GLY A 2 -14.180 -1.172 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.278 0.864 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.457 1.686 -2.952 1.00 0.00 H new ATOM 25 N THR A 3 -11.618 0.928 -4.773 1.00 0.00 N ATOM 26 CA THR A 3 -10.335 0.587 -5.360 1.00 0.00 C ATOM 27 C THR A 3 -9.292 1.360 -4.573 1.00 0.00 C ATOM 28 O THR A 3 -9.372 2.582 -4.425 1.00 0.00 O ATOM 29 CB THR A 3 -10.302 0.931 -6.852 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.463 0.439 -7.492 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.072 0.318 -7.534 1.00 0.00 C ATOM 0 H THR A 3 -11.978 1.828 -5.091 1.00 0.00 H new ATOM 0 HA THR A 3 -10.141 -0.484 -5.303 1.00 0.00 H new ATOM 0 HB THR A 3 -10.256 2.017 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.432 0.666 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.075 0.579 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.166 0.705 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.100 -0.766 -7.427 1.00 0.00 H new ATOM 39 N TYR A 4 -8.368 0.643 -3.963 1.00 0.00 N ATOM 40 CA TYR A 4 -7.292 1.198 -3.171 1.00 0.00 C ATOM 41 C TYR A 4 -6.038 1.230 -4.031 1.00 0.00 C ATOM 42 O TYR A 4 -5.924 0.469 -4.996 1.00 0.00 O ATOM 43 CB TYR A 4 -7.082 0.309 -1.942 1.00 0.00 C ATOM 44 CG TYR A 4 -8.137 0.499 -0.881 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.021 1.556 0.042 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.242 -0.365 -0.828 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.988 1.731 1.047 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.223 -0.177 0.155 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.092 0.856 1.110 1.00 0.00 C ATOM 50 OH TYR A 4 -11.039 0.987 2.076 1.00 0.00 O ATOM 0 H TYR A 4 -8.347 -0.376 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.526 2.209 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.075 -0.735 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.103 0.520 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.184 2.236 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.336 -1.171 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.886 2.530 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.085 -0.826 0.183 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.724 0.296 1.959 1.00 0.00 H new ATOM 60 N LYS A 5 -5.076 2.071 -3.664 1.00 0.00 N ATOM 61 CA LYS A 5 -3.804 2.217 -4.360 1.00 0.00 C ATOM 62 C LYS A 5 -2.688 2.195 -3.331 1.00 0.00 C ATOM 63 O LYS A 5 -2.862 2.684 -2.216 1.00 0.00 O ATOM 64 CB LYS A 5 -3.796 3.535 -5.140 1.00 0.00 C ATOM 65 CG LYS A 5 -2.505 3.744 -5.949 1.00 0.00 C ATOM 66 CD LYS A 5 -2.374 5.202 -6.364 1.00 0.00 C ATOM 67 CE LYS A 5 -1.032 5.385 -7.059 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.849 6.727 -7.641 1.00 0.00 N ATOM 0 H LYS A 5 -5.163 2.685 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.659 1.400 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.650 3.556 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.921 4.364 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.642 3.449 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.514 3.106 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.188 5.481 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.441 5.852 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.232 5.196 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.936 4.639 -7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.166 6.912 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.334 6.776 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.249 7.441 -7.000 1.00 0.00 H new ATOM 82 N LEU A 6 -1.549 1.628 -3.696 1.00 0.00 N ATOM 83 CA LEU A 6 -0.369 1.546 -2.851 1.00 0.00 C ATOM 84 C LEU A 6 0.766 2.221 -3.587 1.00 0.00 C ATOM 85 O LEU A 6 0.947 1.990 -4.783 1.00 0.00 O ATOM 86 CB LEU A 6 0.010 0.091 -2.585 1.00 0.00 C ATOM 87 CG LEU A 6 1.315 -0.130 -1.790 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.223 0.475 -0.382 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.605 -1.634 -1.714 1.00 0.00 C ATOM 0 H LEU A 6 -1.417 1.201 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.569 2.028 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.808 -0.384 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.099 -0.422 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 6 2.132 0.376 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.158 0.302 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.042 1.547 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.403 0.006 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.525 -1.799 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.779 -2.139 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.717 -2.034 -2.722 1.00 0.00 H new ATOM 101 N ILE A 7 1.546 2.987 -2.838 1.00 0.00 N ATOM 102 CA ILE A 7 2.707 3.716 -3.311 1.00 0.00 C ATOM 103 C ILE A 7 3.897 3.213 -2.494 1.00 0.00 C ATOM 104 O ILE A 7 4.006 3.455 -1.291 1.00 0.00 O ATOM 105 CB ILE A 7 2.478 5.239 -3.230 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.221 5.651 -4.028 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.723 5.987 -3.748 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.923 7.154 -4.020 1.00 0.00 C ATOM 0 H ILE A 7 1.377 3.121 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 7 2.904 3.536 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 7 2.314 5.511 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.339 5.323 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.359 5.121 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.553 7.062 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.587 5.721 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.910 5.707 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.024 7.350 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.769 7.489 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.764 7.694 -4.456 1.00 0.00 H new ATOM 120 N LEU A 8 4.742 2.407 -3.125 1.00 0.00 N ATOM 121 CA LEU A 8 5.939 1.843 -2.534 1.00 0.00 C ATOM 122 C LEU A 8 7.019 2.907 -2.719 1.00 0.00 C ATOM 123 O LEU A 8 7.483 3.139 -3.839 1.00 0.00 O ATOM 124 CB LEU A 8 6.317 0.538 -3.254 1.00 0.00 C ATOM 125 CG LEU A 8 5.324 -0.609 -3.134 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.840 -1.802 -3.955 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.107 -1.078 -1.701 1.00 0.00 C ATOM 0 H LEU A 8 4.604 2.121 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 8 5.805 1.593 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.458 0.759 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.279 0.200 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 8 4.369 -0.236 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.136 -2.630 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.939 -1.509 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.811 -2.114 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.388 -1.897 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.053 -1.421 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.724 -0.252 -1.102 1.00 0.00 H new ATOM 139 N ASN A 9 7.360 3.598 -1.634 1.00 0.00 N ATOM 140 CA ASN A 9 8.378 4.651 -1.583 1.00 0.00 C ATOM 141 C ASN A 9 9.603 4.111 -0.840 1.00 0.00 C ATOM 142 O ASN A 9 9.952 4.586 0.245 1.00 0.00 O ATOM 143 CB ASN A 9 7.855 5.920 -0.875 1.00 0.00 C ATOM 144 CG ASN A 9 7.108 6.891 -1.759 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.151 6.819 -2.982 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.465 7.869 -1.159 1.00 0.00 N ATOM 0 H ASN A 9 6.919 3.435 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 9 8.640 4.931 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.198 5.617 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.701 6.440 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.992 8.583 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.440 7.913 -0.140 1.00 0.00 H new ATOM 153 N GLY A 10 10.377 3.238 -1.477 1.00 0.00 N ATOM 154 CA GLY A 10 11.545 2.655 -0.861 1.00 0.00 C ATOM 155 C GLY A 10 12.854 3.330 -1.202 1.00 0.00 C ATOM 156 O GLY A 10 13.041 3.938 -2.256 1.00 0.00 O ATOM 0 H GLY A 10 10.206 2.921 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.415 2.675 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.607 1.607 -1.155 1.00 0.00 H new ATOM 160 N LYS A 11 13.788 3.201 -0.269 1.00 0.00 N ATOM 161 CA LYS A 11 15.136 3.730 -0.377 1.00 0.00 C ATOM 162 C LYS A 11 15.904 2.947 -1.424 1.00 0.00 C ATOM 163 O LYS A 11 16.847 3.485 -2.009 1.00 0.00 O ATOM 164 CB LYS A 11 15.905 3.506 0.944 1.00 0.00 C ATOM 165 CG LYS A 11 15.302 4.125 2.209 1.00 0.00 C ATOM 166 CD LYS A 11 14.898 5.590 2.050 1.00 0.00 C ATOM 167 CE LYS A 11 16.045 6.462 1.547 1.00 0.00 C ATOM 168 NZ LYS A 11 15.547 7.751 1.038 1.00 0.00 N ATOM 0 H LYS A 11 13.621 2.710 0.609 1.00 0.00 H new ATOM 0 HA LYS A 11 15.058 4.789 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.000 2.432 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.914 3.900 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.426 3.547 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.024 4.044 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.061 5.659 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.548 5.973 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.755 6.637 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.584 5.939 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.347 8.324 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.888 7.582 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.054 8.258 1.800 1.00 0.00 H new ATOM 182 N THR A 12 15.502 1.705 -1.668 1.00 0.00 N ATOM 183 CA THR A 12 16.166 0.803 -2.575 1.00 0.00 C ATOM 184 C THR A 12 15.360 0.549 -3.846 1.00 0.00 C ATOM 185 O THR A 12 15.895 0.683 -4.953 1.00 0.00 O ATOM 186 CB THR A 12 16.450 -0.477 -1.763 1.00 0.00 C ATOM 187 OG1 THR A 12 15.258 -1.035 -1.218 1.00 0.00 O ATOM 188 CG2 THR A 12 17.428 -0.256 -0.604 1.00 0.00 C ATOM 0 H THR A 12 14.681 1.295 -1.223 1.00 0.00 H new ATOM 0 HA THR A 12 17.096 1.231 -2.948 1.00 0.00 H new ATOM 0 HB THR A 12 16.900 -1.161 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.909 -0.442 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.583 -1.196 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.380 0.102 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.017 0.483 0.083 1.00 0.00 H new ATOM 196 N LEU A 13 14.075 0.219 -3.706 1.00 0.00 N ATOM 197 CA LEU A 13 13.165 -0.087 -4.804 1.00 0.00 C ATOM 198 C LEU A 13 11.854 0.626 -4.563 1.00 0.00 C ATOM 199 O LEU A 13 11.481 0.778 -3.406 1.00 0.00 O ATOM 200 CB LEU A 13 12.997 -1.620 -4.835 1.00 0.00 C ATOM 201 CG LEU A 13 11.895 -2.211 -5.739 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.263 -3.656 -6.088 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.507 -2.268 -5.074 1.00 0.00 C ATOM 0 H LEU A 13 13.627 0.156 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 13 13.546 0.251 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.949 -2.054 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.808 -1.956 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 13 11.836 -1.554 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.491 -4.084 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.218 -3.672 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.343 -4.242 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.787 -2.695 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.557 -2.889 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.193 -1.261 -4.800 1.00 0.00 H new ATOM 215 N LYS A 14 11.148 1.038 -5.619 1.00 0.00 N ATOM 216 CA LYS A 14 9.858 1.732 -5.574 1.00 0.00 C ATOM 217 C LYS A 14 8.905 1.128 -6.608 1.00 0.00 C ATOM 218 O LYS A 14 9.351 0.405 -7.509 1.00 0.00 O ATOM 219 CB LYS A 14 10.046 3.240 -5.804 1.00 0.00 C ATOM 220 CG LYS A 14 10.737 3.945 -4.622 1.00 0.00 C ATOM 221 CD LYS A 14 11.806 4.981 -4.963 1.00 0.00 C ATOM 222 CE LYS A 14 12.959 4.284 -5.684 1.00 0.00 C ATOM 223 NZ LYS A 14 14.081 5.190 -5.970 1.00 0.00 N ATOM 0 H LYS A 14 11.475 0.890 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 14 9.419 1.602 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.636 3.394 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.073 3.700 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.969 4.435 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.193 3.182 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.385 5.763 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.166 5.464 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.315 3.454 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.593 3.859 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.834 4.666 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.752 5.969 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.451 5.577 -5.078 1.00 0.00 H new ATOM 237 N GLY A 15 7.601 1.361 -6.467 1.00 0.00 N ATOM 238 CA GLY A 15 6.582 0.852 -7.379 1.00 0.00 C ATOM 239 C GLY A 15 5.178 1.276 -6.947 1.00 0.00 C ATOM 240 O GLY A 15 5.014 1.960 -5.938 1.00 0.00 O ATOM 0 H GLY A 15 7.218 1.918 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.779 1.218 -8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.638 -0.236 -7.418 1.00 0.00 H new ATOM 244 N GLU A 16 4.148 0.860 -7.685 1.00 0.00 N ATOM 245 CA GLU A 16 2.749 1.170 -7.392 1.00 0.00 C ATOM 246 C GLU A 16 1.861 -0.001 -7.826 1.00 0.00 C ATOM 247 O GLU A 16 2.190 -0.730 -8.769 1.00 0.00 O ATOM 248 CB GLU A 16 2.272 2.437 -8.126 1.00 0.00 C ATOM 249 CG GLU A 16 2.729 3.766 -7.508 1.00 0.00 C ATOM 250 CD GLU A 16 1.952 4.965 -8.069 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.256 4.835 -9.104 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.931 6.045 -7.437 1.00 0.00 O ATOM 0 H GLU A 16 4.266 0.286 -8.520 1.00 0.00 H new ATOM 0 HA GLU A 16 2.674 1.342 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.625 2.394 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.183 2.428 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.599 3.725 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.794 3.905 -7.696 1.00 0.00 H new ATOM 259 N THR A 17 0.743 -0.194 -7.133 1.00 0.00 N ATOM 260 CA THR A 17 -0.248 -1.228 -7.396 1.00 0.00 C ATOM 261 C THR A 17 -1.613 -0.708 -6.936 1.00 0.00 C ATOM 262 O THR A 17 -1.698 0.264 -6.175 1.00 0.00 O ATOM 263 CB THR A 17 0.160 -2.562 -6.729 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.712 -3.599 -7.130 1.00 0.00 O ATOM 265 CG2 THR A 17 0.184 -2.564 -5.197 1.00 0.00 C ATOM 0 H THR A 17 0.493 0.393 -6.337 1.00 0.00 H new ATOM 0 HA THR A 17 -0.310 -1.446 -8.462 1.00 0.00 H new ATOM 0 HB THR A 17 1.185 -2.713 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.441 -4.438 -6.702 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.483 -3.549 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.896 -1.818 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.810 -2.326 -4.817 1.00 0.00 H new ATOM 273 N THR A 18 -2.684 -1.360 -7.377 1.00 0.00 N ATOM 274 CA THR A 18 -4.061 -1.038 -7.057 1.00 0.00 C ATOM 275 C THR A 18 -4.826 -2.347 -6.849 1.00 0.00 C ATOM 276 O THR A 18 -4.536 -3.335 -7.524 1.00 0.00 O ATOM 277 CB THR A 18 -4.687 -0.226 -8.210 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.307 -0.728 -9.481 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.223 1.227 -8.188 1.00 0.00 C ATOM 0 H THR A 18 -2.606 -2.166 -7.997 1.00 0.00 H new ATOM 0 HA THR A 18 -4.109 -0.437 -6.149 1.00 0.00 H new ATOM 0 HB THR A 18 -5.764 -0.306 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.725 -0.188 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.684 1.769 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.515 1.688 -7.244 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.138 1.264 -8.290 1.00 0.00 H new ATOM 287 N THR A 19 -5.716 -2.411 -5.861 1.00 0.00 N ATOM 288 CA THR A 19 -6.526 -3.595 -5.592 1.00 0.00 C ATOM 289 C THR A 19 -7.892 -3.143 -5.066 1.00 0.00 C ATOM 290 O THR A 19 -8.011 -2.070 -4.471 1.00 0.00 O ATOM 291 CB THR A 19 -5.755 -4.563 -4.673 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.335 -5.848 -4.649 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.692 -4.059 -3.238 1.00 0.00 C ATOM 0 H THR A 19 -5.896 -1.637 -5.221 1.00 0.00 H new ATOM 0 HA THR A 19 -6.722 -4.169 -6.498 1.00 0.00 H new ATOM 0 HB THR A 19 -4.751 -4.618 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.815 -6.431 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.140 -4.772 -2.626 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.188 -3.093 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.703 -3.951 -2.846 1.00 0.00 H new ATOM 301 N GLU A 20 -8.941 -3.924 -5.292 1.00 0.00 N ATOM 302 CA GLU A 20 -10.291 -3.638 -4.841 1.00 0.00 C ATOM 303 C GLU A 20 -10.447 -4.352 -3.510 1.00 0.00 C ATOM 304 O GLU A 20 -10.415 -5.582 -3.483 1.00 0.00 O ATOM 305 CB GLU A 20 -11.337 -4.131 -5.852 1.00 0.00 C ATOM 306 CG GLU A 20 -11.104 -3.552 -7.253 1.00 0.00 C ATOM 307 CD GLU A 20 -9.939 -4.194 -8.027 1.00 0.00 C ATOM 308 OE1 GLU A 20 -9.513 -5.333 -7.711 1.00 0.00 O ATOM 309 OE2 GLU A 20 -9.412 -3.534 -8.951 1.00 0.00 O ATOM 0 H GLU A 20 -8.870 -4.800 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.450 -2.564 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.308 -5.220 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.333 -3.854 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.018 -3.668 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.917 -2.482 -7.163 1.00 0.00 H new ATOM 316 N ALA A 21 -10.565 -3.610 -2.409 1.00 0.00 N ATOM 317 CA ALA A 21 -10.715 -4.210 -1.084 1.00 0.00 C ATOM 318 C ALA A 21 -12.048 -3.819 -0.458 1.00 0.00 C ATOM 319 O ALA A 21 -12.515 -2.686 -0.582 1.00 0.00 O ATOM 320 CB ALA A 21 -9.537 -3.865 -0.182 1.00 0.00 C ATOM 0 H ALA A 21 -10.560 -2.590 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.716 -5.294 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.680 -4.326 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.615 -4.238 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.472 -2.783 -0.066 1.00 0.00 H new ATOM 326 N VAL A 22 -12.621 -4.747 0.298 1.00 0.00 N ATOM 327 CA VAL A 22 -13.907 -4.606 0.969 1.00 0.00 C ATOM 328 C VAL A 22 -13.889 -3.564 2.088 1.00 0.00 C ATOM 329 O VAL A 22 -14.907 -2.902 2.296 1.00 0.00 O ATOM 330 CB VAL A 22 -14.347 -5.976 1.521 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.601 -6.980 0.387 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.314 -6.571 2.491 1.00 0.00 C ATOM 0 H VAL A 22 -12.186 -5.654 0.467 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.623 -4.248 0.229 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.274 -5.798 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.910 -7.936 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.388 -6.601 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.686 -7.117 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.669 -7.536 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.364 -6.704 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.176 -5.895 3.335 1.00 0.00 H new ATOM 342 N ASP A 23 -12.759 -3.395 2.775 1.00 0.00 N ATOM 343 CA ASP A 23 -12.543 -2.467 3.878 1.00 0.00 C ATOM 344 C ASP A 23 -11.059 -2.108 3.914 1.00 0.00 C ATOM 345 O ASP A 23 -10.235 -2.740 3.240 1.00 0.00 O ATOM 346 CB ASP A 23 -13.032 -3.037 5.222 1.00 0.00 C ATOM 347 CG ASP A 23 -12.498 -4.423 5.586 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.268 -4.652 5.531 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.336 -5.306 5.880 1.00 0.00 O ATOM 0 H ASP A 23 -11.921 -3.936 2.561 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.134 -1.566 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.755 -2.341 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.121 -3.080 5.203 1.00 0.00 H new ATOM 354 N ALA A 24 -10.723 -1.077 4.694 1.00 0.00 N ATOM 355 CA ALA A 24 -9.363 -0.583 4.835 1.00 0.00 C ATOM 356 C ALA A 24 -8.429 -1.622 5.443 1.00 0.00 C ATOM 357 O ALA A 24 -7.242 -1.601 5.138 1.00 0.00 O ATOM 358 CB ALA A 24 -9.350 0.683 5.697 1.00 0.00 C ATOM 0 H ALA A 24 -11.403 -0.559 5.251 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.999 -0.357 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.327 1.045 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.962 1.451 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.752 0.455 6.684 1.00 0.00 H new ATOM 364 N ALA A 25 -8.918 -2.500 6.325 1.00 0.00 N ATOM 365 CA ALA A 25 -8.064 -3.515 6.930 1.00 0.00 C ATOM 366 C ALA A 25 -7.617 -4.502 5.864 1.00 0.00 C ATOM 367 O ALA A 25 -6.435 -4.811 5.766 1.00 0.00 O ATOM 368 CB ALA A 25 -8.796 -4.201 8.071 1.00 0.00 C ATOM 0 H ALA A 25 -9.891 -2.525 6.630 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.173 -3.049 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.149 -4.957 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.065 -3.463 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.700 -4.676 7.690 1.00 0.00 H new ATOM 374 N THR A 26 -8.550 -4.992 5.055 1.00 0.00 N ATOM 375 CA THR A 26 -8.251 -5.915 3.976 1.00 0.00 C ATOM 376 C THR A 26 -7.261 -5.228 3.036 1.00 0.00 C ATOM 377 O THR A 26 -6.261 -5.833 2.659 1.00 0.00 O ATOM 378 CB THR A 26 -9.548 -6.291 3.254 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.498 -6.784 4.187 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.315 -7.346 2.171 1.00 0.00 C ATOM 0 H THR A 26 -9.539 -4.756 5.133 1.00 0.00 H new ATOM 0 HA THR A 26 -7.806 -6.836 4.352 1.00 0.00 H new ATOM 0 HB THR A 26 -9.925 -5.388 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.995 -6.034 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.261 -7.583 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.614 -6.960 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.904 -8.248 2.624 1.00 0.00 H new ATOM 388 N ALA A 27 -7.505 -3.952 2.713 1.00 0.00 N ATOM 389 CA ALA A 27 -6.642 -3.201 1.826 1.00 0.00 C ATOM 390 C ALA A 27 -5.216 -3.138 2.369 1.00 0.00 C ATOM 391 O ALA A 27 -4.260 -3.482 1.669 1.00 0.00 O ATOM 392 CB ALA A 27 -7.194 -1.774 1.665 1.00 0.00 C ATOM 0 H ALA A 27 -8.304 -3.424 3.063 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.618 -3.705 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.546 -1.206 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.199 -1.818 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.229 -1.285 2.639 1.00 0.00 H new ATOM 398 N GLU A 28 -5.090 -2.738 3.630 1.00 0.00 N ATOM 399 CA GLU A 28 -3.830 -2.597 4.327 1.00 0.00 C ATOM 400 C GLU A 28 -3.099 -3.933 4.436 1.00 0.00 C ATOM 401 O GLU A 28 -1.882 -3.966 4.298 1.00 0.00 O ATOM 402 CB GLU A 28 -4.106 -1.958 5.690 1.00 0.00 C ATOM 403 CG GLU A 28 -2.845 -1.460 6.395 1.00 0.00 C ATOM 404 CD GLU A 28 -3.238 -0.896 7.756 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.342 -1.699 8.713 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.475 0.331 7.857 1.00 0.00 O ATOM 0 H GLU A 28 -5.894 -2.496 4.209 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.160 -1.947 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.793 -1.122 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.607 -2.685 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.132 -2.276 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.354 -0.693 5.795 1.00 0.00 H new ATOM 413 N LYS A 29 -3.810 -5.039 4.672 1.00 0.00 N ATOM 414 CA LYS A 29 -3.209 -6.367 4.775 1.00 0.00 C ATOM 415 C LYS A 29 -2.687 -6.792 3.404 1.00 0.00 C ATOM 416 O LYS A 29 -1.521 -7.185 3.314 1.00 0.00 O ATOM 417 CB LYS A 29 -4.231 -7.391 5.285 1.00 0.00 C ATOM 418 CG LYS A 29 -4.529 -7.292 6.786 1.00 0.00 C ATOM 419 CD LYS A 29 -5.531 -8.341 7.302 1.00 0.00 C ATOM 420 CE LYS A 29 -6.824 -8.469 6.480 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.697 -9.455 5.381 1.00 0.00 N ATOM 0 H LYS A 29 -4.822 -5.036 4.797 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.385 -6.326 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.162 -7.264 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.864 -8.394 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.595 -7.396 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.918 -6.297 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.036 -9.312 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.796 -8.093 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.642 -8.764 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.085 -7.496 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.117 -9.064 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.692 -9.663 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.194 -10.331 5.641 1.00 0.00 H new ATOM 435 N VAL A 30 -3.502 -6.684 2.344 1.00 0.00 N ATOM 436 CA VAL A 30 -3.085 -7.065 0.992 1.00 0.00 C ATOM 437 C VAL A 30 -1.829 -6.292 0.629 1.00 0.00 C ATOM 438 O VAL A 30 -0.829 -6.878 0.211 1.00 0.00 O ATOM 439 CB VAL A 30 -4.225 -6.827 -0.023 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.786 -6.908 -1.494 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.293 -7.895 0.186 1.00 0.00 C ATOM 0 H VAL A 30 -4.458 -6.334 2.401 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.859 -8.131 0.961 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.586 -5.815 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.645 -6.729 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.023 -6.154 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.378 -7.898 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.106 -7.741 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.857 -8.881 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.681 -7.827 1.202 1.00 0.00 H new ATOM 451 N PHE A 31 -1.870 -4.974 0.812 1.00 0.00 N ATOM 452 CA PHE A 31 -0.743 -4.124 0.511 1.00 0.00 C ATOM 453 C PHE A 31 0.451 -4.442 1.396 1.00 0.00 C ATOM 454 O PHE A 31 1.552 -4.480 0.857 1.00 0.00 O ATOM 455 CB PHE A 31 -1.173 -2.666 0.589 1.00 0.00 C ATOM 456 CG PHE A 31 -2.037 -2.160 -0.556 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.109 -2.817 -1.808 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.720 -0.944 -0.381 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.829 -2.250 -2.870 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.439 -0.379 -1.448 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.490 -1.027 -2.695 1.00 0.00 C ATOM 0 H PHE A 31 -2.685 -4.477 1.171 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.407 -4.317 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.718 -2.519 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.278 -2.047 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.606 -3.762 -1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.692 -0.443 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.874 -2.756 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.956 0.559 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.036 -0.584 -3.514 1.00 0.00 H new ATOM 471 N LYS A 32 0.285 -4.707 2.697 1.00 0.00 N ATOM 472 CA LYS A 32 1.413 -5.044 3.572 1.00 0.00 C ATOM 473 C LYS A 32 2.144 -6.242 3.009 1.00 0.00 C ATOM 474 O LYS A 32 3.362 -6.207 2.858 1.00 0.00 O ATOM 475 CB LYS A 32 0.972 -5.311 5.022 1.00 0.00 C ATOM 476 CG LYS A 32 1.196 -4.080 5.918 1.00 0.00 C ATOM 477 CD LYS A 32 1.982 -4.455 7.178 1.00 0.00 C ATOM 478 CE LYS A 32 2.488 -3.180 7.859 1.00 0.00 C ATOM 479 NZ LYS A 32 3.321 -3.466 9.040 1.00 0.00 N ATOM 0 H LYS A 32 -0.620 -4.694 3.167 1.00 0.00 H new ATOM 0 HA LYS A 32 2.082 -4.184 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.083 -5.586 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.528 -6.159 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.737 -3.314 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.235 -3.650 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.347 -5.019 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.822 -5.100 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.066 -2.594 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.636 -2.569 8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.639 -2.572 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.764 -4.002 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.149 -4.027 8.753 1.00 0.00 H new ATOM 493 N GLN A 33 1.391 -7.284 2.679 1.00 0.00 N ATOM 494 CA GLN A 33 1.913 -8.501 2.128 1.00 0.00 C ATOM 495 C GLN A 33 2.633 -8.188 0.823 1.00 0.00 C ATOM 496 O GLN A 33 3.736 -8.683 0.603 1.00 0.00 O ATOM 497 CB GLN A 33 0.733 -9.458 1.900 1.00 0.00 C ATOM 498 CG GLN A 33 1.188 -10.875 1.559 1.00 0.00 C ATOM 499 CD GLN A 33 1.592 -11.614 2.826 1.00 0.00 C ATOM 500 OE1 GLN A 33 2.852 -11.554 3.205 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 0.749 -12.190 3.511 1.00 0.00 N flip ATOM 0 H GLN A 33 0.378 -7.293 2.795 1.00 0.00 H new ATOM 0 HA GLN A 33 2.629 -8.969 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.112 -9.485 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.110 -9.075 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.384 -11.412 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.029 -10.838 0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.222 -12.226 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.021 -12.632 4.389 1.00 0.00 H new ATOM 510 N TYR A 34 2.024 -7.349 -0.018 1.00 0.00 N ATOM 511 CA TYR A 34 2.599 -7.004 -1.309 1.00 0.00 C ATOM 512 C TYR A 34 3.916 -6.247 -1.167 1.00 0.00 C ATOM 513 O TYR A 34 4.893 -6.527 -1.855 1.00 0.00 O ATOM 514 CB TYR A 34 1.581 -6.211 -2.137 1.00 0.00 C ATOM 515 CG TYR A 34 1.989 -6.066 -3.587 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.665 -7.080 -4.508 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.741 -4.953 -4.003 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.078 -6.978 -5.847 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.172 -4.855 -5.335 1.00 0.00 C ATOM 520 CZ TYR A 34 2.835 -5.862 -6.264 1.00 0.00 C ATOM 521 OH TYR A 34 3.249 -5.775 -7.557 1.00 0.00 O ATOM 0 H TYR A 34 1.130 -6.898 0.178 1.00 0.00 H new ATOM 0 HA TYR A 34 2.833 -7.930 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.612 -6.707 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.456 -5.221 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.097 -7.940 -4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.987 -4.173 -3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.817 -7.751 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.763 -4.007 -5.649 1.00 0.00 H new ATOM 0 HH TYR A 34 3.758 -4.947 -7.683 1.00 0.00 H new ATOM 531 N ALA A 35 3.969 -5.263 -0.280 1.00 0.00 N ATOM 532 CA ALA A 35 5.170 -4.465 -0.073 1.00 0.00 C ATOM 533 C ALA A 35 6.301 -5.334 0.455 1.00 0.00 C ATOM 534 O ALA A 35 7.392 -5.318 -0.110 1.00 0.00 O ATOM 535 CB ALA A 35 4.868 -3.329 0.878 1.00 0.00 C ATOM 0 H ALA A 35 3.184 -4.996 0.314 1.00 0.00 H new ATOM 0 HA ALA A 35 5.491 -4.045 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.768 -2.734 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.084 -2.700 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.534 -3.733 1.833 1.00 0.00 H new ATOM 541 N ASN A 36 6.020 -6.131 1.487 1.00 0.00 N ATOM 542 CA ASN A 36 6.997 -7.037 2.087 1.00 0.00 C ATOM 543 C ASN A 36 7.508 -8.018 1.029 1.00 0.00 C ATOM 544 O ASN A 36 8.670 -8.412 1.080 1.00 0.00 O ATOM 545 CB ASN A 36 6.409 -7.744 3.326 1.00 0.00 C ATOM 546 CG ASN A 36 6.391 -9.267 3.264 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.085 -9.946 4.008 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.518 -9.847 2.462 1.00 0.00 N ATOM 0 H ASN A 36 5.103 -6.165 1.932 1.00 0.00 H new ATOM 0 HA ASN A 36 7.853 -6.464 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.981 -7.440 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.388 -7.391 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.421 -10.862 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.940 -9.280 1.842 1.00 0.00 H new ATOM 555 N ASP A 37 6.672 -8.394 0.055 1.00 0.00 N ATOM 556 CA ASP A 37 7.061 -9.310 -1.016 1.00 0.00 C ATOM 557 C ASP A 37 8.104 -8.622 -1.894 1.00 0.00 C ATOM 558 O ASP A 37 9.067 -9.239 -2.344 1.00 0.00 O ATOM 559 CB ASP A 37 5.847 -9.724 -1.849 1.00 0.00 C ATOM 560 CG ASP A 37 6.184 -10.789 -2.895 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.207 -11.497 -2.751 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.408 -10.896 -3.876 1.00 0.00 O ATOM 0 H ASP A 37 5.707 -8.070 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 37 7.484 -10.216 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.070 -10.104 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.438 -8.846 -2.349 1.00 0.00 H new ATOM 567 N ASN A 38 7.934 -7.320 -2.136 1.00 0.00 N ATOM 568 CA ASN A 38 8.869 -6.511 -2.918 1.00 0.00 C ATOM 569 C ASN A 38 10.073 -6.132 -2.038 1.00 0.00 C ATOM 570 O ASN A 38 11.016 -5.522 -2.536 1.00 0.00 O ATOM 571 CB ASN A 38 8.207 -5.220 -3.435 1.00 0.00 C ATOM 572 CG ASN A 38 7.226 -5.441 -4.572 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.554 -5.278 -5.743 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.997 -5.788 -4.250 1.00 0.00 N ATOM 0 H ASN A 38 7.133 -6.792 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 38 9.188 -7.103 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.687 -4.735 -2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.985 -4.533 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.298 -5.926 -4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.744 -5.919 -3.271 1.00 0.00 H new ATOM 581 N GLY A 39 10.064 -6.473 -0.744 1.00 0.00 N ATOM 582 CA GLY A 39 11.113 -6.178 0.222 1.00 0.00 C ATOM 583 C GLY A 39 11.063 -4.730 0.682 1.00 0.00 C ATOM 584 O GLY A 39 12.114 -4.153 0.959 1.00 0.00 O ATOM 0 H GLY A 39 9.286 -6.986 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.010 -6.837 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.086 -6.385 -0.223 1.00 0.00 H new ATOM 588 N VAL A 40 9.874 -4.131 0.725 1.00 0.00 N ATOM 589 CA VAL A 40 9.649 -2.763 1.148 1.00 0.00 C ATOM 590 C VAL A 40 8.931 -2.817 2.479 1.00 0.00 C ATOM 591 O VAL A 40 7.859 -3.414 2.588 1.00 0.00 O ATOM 592 CB VAL A 40 8.751 -2.006 0.155 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.584 -0.540 0.586 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.266 -2.090 -1.287 1.00 0.00 C ATOM 0 H VAL A 40 9.014 -4.608 0.455 1.00 0.00 H new ATOM 0 HA VAL A 40 10.607 -2.246 1.209 1.00 0.00 H new ATOM 0 HB VAL A 40 7.777 -2.495 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.946 -0.021 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.127 -0.501 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.560 -0.057 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.595 -1.539 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.265 -1.657 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.305 -3.134 -1.599 1.00 0.00 H new ATOM 604 N ASP A 41 9.519 -2.176 3.477 1.00 0.00 N ATOM 605 CA ASP A 41 8.929 -2.099 4.794 1.00 0.00 C ATOM 606 C ASP A 41 9.434 -0.819 5.431 1.00 0.00 C ATOM 607 O ASP A 41 10.611 -0.715 5.779 1.00 0.00 O ATOM 608 CB ASP A 41 9.243 -3.322 5.640 1.00 0.00 C ATOM 609 CG ASP A 41 8.537 -3.192 6.988 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.366 -2.739 7.020 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.158 -3.569 8.004 1.00 0.00 O ATOM 0 H ASP A 41 10.416 -1.698 3.392 1.00 0.00 H new ATOM 0 HA ASP A 41 7.842 -2.083 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.914 -4.227 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.319 -3.412 5.786 1.00 0.00 H new ATOM 616 N GLY A 42 8.566 0.183 5.475 1.00 0.00 N ATOM 617 CA GLY A 42 8.829 1.490 6.029 1.00 0.00 C ATOM 618 C GLY A 42 7.612 2.036 6.751 1.00 0.00 C ATOM 619 O GLY A 42 6.756 1.289 7.210 1.00 0.00 O ATOM 0 H GLY A 42 7.619 0.095 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.670 1.432 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.119 2.174 5.231 1.00 0.00 H new ATOM 623 N GLU A 43 7.552 3.355 6.883 1.00 0.00 N ATOM 624 CA GLU A 43 6.456 4.042 7.545 1.00 0.00 C ATOM 625 C GLU A 43 5.236 4.024 6.631 1.00 0.00 C ATOM 626 O GLU A 43 5.248 4.648 5.565 1.00 0.00 O ATOM 627 CB GLU A 43 6.821 5.489 7.918 1.00 0.00 C ATOM 628 CG GLU A 43 5.654 6.110 8.713 1.00 0.00 C ATOM 629 CD GLU A 43 5.798 7.600 9.016 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.935 8.117 9.096 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.750 8.258 9.218 1.00 0.00 O ATOM 0 H GLU A 43 8.273 3.983 6.528 1.00 0.00 H new ATOM 0 HA GLU A 43 6.237 3.519 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.734 5.506 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.017 6.072 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.731 5.956 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.549 5.572 9.655 1.00 0.00 H new ATOM 638 N TRP A 44 4.195 3.309 7.051 1.00 0.00 N ATOM 639 CA TRP A 44 2.950 3.202 6.317 1.00 0.00 C ATOM 640 C TRP A 44 2.046 4.383 6.675 1.00 0.00 C ATOM 641 O TRP A 44 1.805 4.654 7.852 1.00 0.00 O ATOM 642 CB TRP A 44 2.243 1.892 6.660 1.00 0.00 C ATOM 643 CG TRP A 44 2.917 0.649 6.164 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.033 0.093 6.681 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.600 -0.154 4.990 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.444 -0.970 5.910 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.599 -1.162 4.846 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.597 -0.106 4.001 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.604 -2.065 3.782 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.597 -1.002 2.922 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.593 -1.977 2.811 1.00 0.00 C ATOM 0 H TRP A 44 4.199 2.782 7.924 1.00 0.00 H new ATOM 0 HA TRP A 44 3.166 3.215 5.249 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.145 1.824 7.744 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.233 1.926 6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.533 0.435 7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.268 -1.540 6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.814 0.634 4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.373 -2.819 3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.823 -0.938 2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.585 -2.664 1.977 1.00 0.00 H new ATOM 662 N THR A 45 1.478 5.019 5.661 1.00 0.00 N ATOM 663 CA THR A 45 0.583 6.167 5.723 1.00 0.00 C ATOM 664 C THR A 45 -0.704 5.852 4.946 1.00 0.00 C ATOM 665 O THR A 45 -0.761 4.829 4.254 1.00 0.00 O ATOM 666 CB THR A 45 1.307 7.375 5.106 1.00 0.00 C ATOM 667 OG1 THR A 45 1.544 7.095 3.747 1.00 0.00 O ATOM 668 CG2 THR A 45 2.680 7.649 5.719 1.00 0.00 C ATOM 0 H THR A 45 1.643 4.723 4.699 1.00 0.00 H new ATOM 0 HA THR A 45 0.314 6.392 6.755 1.00 0.00 H new ATOM 0 HB THR A 45 0.667 8.240 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.149 6.327 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.129 8.515 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.569 7.848 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.322 6.780 5.577 1.00 0.00 H new ATOM 676 N TYR A 46 -1.725 6.705 5.013 1.00 0.00 N ATOM 677 CA TYR A 46 -2.990 6.525 4.313 1.00 0.00 C ATOM 678 C TYR A 46 -3.536 7.898 3.922 1.00 0.00 C ATOM 679 O TYR A 46 -3.298 8.877 4.630 1.00 0.00 O ATOM 680 CB TYR A 46 -3.970 5.767 5.226 1.00 0.00 C ATOM 681 CG TYR A 46 -5.348 5.516 4.633 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.482 4.716 3.484 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.496 6.076 5.227 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.746 4.484 2.916 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.768 5.831 4.677 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.896 5.046 3.509 1.00 0.00 C ATOM 687 OH TYR A 46 -9.119 4.845 2.946 1.00 0.00 O ATOM 0 H TYR A 46 -1.692 7.559 5.569 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.850 5.938 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.526 4.807 5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.088 6.330 6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.605 4.276 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.400 6.695 6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.837 3.877 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.648 6.244 5.148 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.642 5.672 2.995 1.00 0.00 H new ATOM 697 N ASP A 47 -4.269 7.962 2.811 1.00 0.00 N ATOM 698 CA ASP A 47 -4.912 9.142 2.251 1.00 0.00 C ATOM 699 C ASP A 47 -6.306 8.687 1.843 1.00 0.00 C ATOM 700 O ASP A 47 -6.507 8.180 0.735 1.00 0.00 O ATOM 701 CB ASP A 47 -4.205 9.743 1.017 1.00 0.00 C ATOM 702 CG ASP A 47 -3.089 10.755 1.290 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.589 10.892 2.428 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.747 11.499 0.340 1.00 0.00 O ATOM 0 H ASP A 47 -4.439 7.132 2.243 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.894 9.933 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.786 8.924 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.958 10.226 0.395 1.00 0.00 H new ATOM 709 N ASP A 48 -7.272 8.819 2.748 1.00 0.00 N ATOM 710 CA ASP A 48 -8.665 8.441 2.511 1.00 0.00 C ATOM 711 C ASP A 48 -9.275 9.245 1.368 1.00 0.00 C ATOM 712 O ASP A 48 -10.125 8.749 0.626 1.00 0.00 O ATOM 713 CB ASP A 48 -9.489 8.711 3.762 1.00 0.00 C ATOM 714 CG ASP A 48 -10.823 7.966 3.699 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.841 6.715 3.585 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.872 8.642 3.739 1.00 0.00 O ATOM 0 H ASP A 48 -7.108 9.197 3.681 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.677 7.382 2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.933 8.397 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.668 9.781 3.862 1.00 0.00 H new ATOM 721 N ALA A 49 -8.759 10.462 1.194 1.00 0.00 N ATOM 722 CA ALA A 49 -9.145 11.438 0.182 1.00 0.00 C ATOM 723 C ALA A 49 -9.167 10.834 -1.221 1.00 0.00 C ATOM 724 O ALA A 49 -9.969 11.257 -2.054 1.00 0.00 O ATOM 725 CB ALA A 49 -8.147 12.597 0.211 1.00 0.00 C ATOM 0 H ALA A 49 -8.013 10.812 1.796 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.154 11.781 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.424 13.335 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.158 13.062 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.146 12.221 -0.001 1.00 0.00 H new ATOM 731 N THR A 50 -8.261 9.896 -1.505 1.00 0.00 N ATOM 732 CA THR A 50 -8.187 9.224 -2.797 1.00 0.00 C ATOM 733 C THR A 50 -7.976 7.705 -2.607 1.00 0.00 C ATOM 734 O THR A 50 -7.654 6.985 -3.553 1.00 0.00 O ATOM 735 CB THR A 50 -7.153 9.985 -3.647 1.00 0.00 C ATOM 736 OG1 THR A 50 -7.341 9.753 -5.029 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.723 9.668 -3.219 1.00 0.00 C ATOM 0 H THR A 50 -7.555 9.582 -0.839 1.00 0.00 H new ATOM 0 HA THR A 50 -9.120 9.258 -3.360 1.00 0.00 H new ATOM 0 HB THR A 50 -7.316 11.048 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.669 10.252 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.024 10.225 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.584 9.953 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.538 8.600 -3.331 1.00 0.00 H new ATOM 745 N LYS A 51 -8.181 7.207 -1.379 1.00 0.00 N ATOM 746 CA LYS A 51 -8.033 5.824 -0.926 1.00 0.00 C ATOM 747 C LYS A 51 -6.683 5.235 -1.340 1.00 0.00 C ATOM 748 O LYS A 51 -6.614 4.221 -2.043 1.00 0.00 O ATOM 749 CB LYS A 51 -9.245 4.966 -1.337 1.00 0.00 C ATOM 750 CG LYS A 51 -10.583 5.545 -0.849 1.00 0.00 C ATOM 751 CD LYS A 51 -11.732 4.577 -1.159 1.00 0.00 C ATOM 752 CE LYS A 51 -13.108 5.078 -0.725 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.598 6.173 -1.576 1.00 0.00 N ATOM 0 H LYS A 51 -8.479 7.815 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.026 5.819 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.268 4.877 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.123 3.959 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.536 5.731 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.768 6.505 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.750 4.384 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.533 3.625 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.819 4.252 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.058 5.419 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.534 6.479 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.935 6.973 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.672 5.842 -2.559 1.00 0.00 H new ATOM 767 N THR A 52 -5.600 5.828 -0.841 1.00 0.00 N ATOM 768 CA THR A 52 -4.243 5.401 -1.149 1.00 0.00 C ATOM 769 C THR A 52 -3.427 5.202 0.120 1.00 0.00 C ATOM 770 O THR A 52 -3.699 5.822 1.142 1.00 0.00 O ATOM 771 CB THR A 52 -3.632 6.454 -2.088 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.405 6.444 -3.262 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.178 6.213 -2.499 1.00 0.00 C ATOM 0 H THR A 52 -5.644 6.625 -0.206 1.00 0.00 H new ATOM 0 HA THR A 52 -4.245 4.431 -1.647 1.00 0.00 H new ATOM 0 HB THR A 52 -3.635 7.397 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.051 7.105 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.849 7.015 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.547 6.194 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.100 5.258 -3.020 1.00 0.00 H new ATOM 781 N PHE A 53 -2.409 4.351 0.045 1.00 0.00 N ATOM 782 CA PHE A 53 -1.478 4.016 1.109 1.00 0.00 C ATOM 783 C PHE A 53 -0.079 4.269 0.571 1.00 0.00 C ATOM 784 O PHE A 53 0.147 4.052 -0.620 1.00 0.00 O ATOM 785 CB PHE A 53 -1.618 2.532 1.450 1.00 0.00 C ATOM 786 CG PHE A 53 -2.849 2.178 2.248 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.812 2.186 3.655 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.009 1.766 1.575 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.927 1.742 4.388 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.120 1.311 2.307 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.077 1.293 3.714 1.00 0.00 C ATOM 0 H PHE A 53 -2.202 3.846 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.673 4.609 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.627 1.960 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.737 2.218 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.929 2.533 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.049 1.798 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.900 1.746 5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.007 0.975 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.927 0.934 4.276 1.00 0.00 H new ATOM 801 N THR A 54 0.852 4.745 1.399 1.00 0.00 N ATOM 802 CA THR A 54 2.219 4.989 0.960 1.00 0.00 C ATOM 803 C THR A 54 3.140 4.426 2.034 1.00 0.00 C ATOM 804 O THR A 54 2.918 4.711 3.213 1.00 0.00 O ATOM 805 CB THR A 54 2.454 6.479 0.673 1.00 0.00 C ATOM 806 OG1 THR A 54 1.394 7.003 -0.107 1.00 0.00 O ATOM 807 CG2 THR A 54 3.791 6.696 -0.025 1.00 0.00 C ATOM 0 H THR A 54 0.680 4.968 2.379 1.00 0.00 H new ATOM 0 HA THR A 54 2.428 4.489 0.014 1.00 0.00 H new ATOM 0 HB THR A 54 2.482 7.010 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.555 7.954 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.933 7.760 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.597 6.331 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.801 6.152 -0.970 1.00 0.00 H new ATOM 815 N VAL A 55 4.095 3.577 1.666 1.00 0.00 N ATOM 816 CA VAL A 55 5.045 2.979 2.597 1.00 0.00 C ATOM 817 C VAL A 55 6.392 3.608 2.278 1.00 0.00 C ATOM 818 O VAL A 55 6.926 3.403 1.187 1.00 0.00 O ATOM 819 CB VAL A 55 4.991 1.441 2.561 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.166 0.825 1.176 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.029 0.837 3.515 1.00 0.00 C ATOM 0 H VAL A 55 4.232 3.281 0.699 1.00 0.00 H new ATOM 0 HA VAL A 55 4.806 3.189 3.640 1.00 0.00 H new ATOM 0 HB VAL A 55 3.979 1.194 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.113 -0.261 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.375 1.182 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.135 1.114 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.972 -0.251 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.027 1.160 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.826 1.172 4.532 1.00 0.00 H new ATOM 831 N THR A 56 6.917 4.399 3.208 1.00 0.00 N ATOM 832 CA THR A 56 8.181 5.095 3.036 1.00 0.00 C ATOM 833 C THR A 56 9.302 4.359 3.779 1.00 0.00 C ATOM 834 O THR A 56 9.415 4.479 5.004 1.00 0.00 O ATOM 835 CB THR A 56 8.062 6.559 3.494 1.00 0.00 C ATOM 836 OG1 THR A 56 6.714 7.015 3.548 1.00 0.00 O ATOM 837 CG2 THR A 56 8.839 7.451 2.528 1.00 0.00 C ATOM 0 H THR A 56 6.471 4.574 4.108 1.00 0.00 H new ATOM 0 HA THR A 56 8.435 5.104 1.976 1.00 0.00 H new ATOM 0 HB THR A 56 8.470 6.612 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.696 7.948 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.758 8.490 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.888 7.154 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.426 7.347 1.525 1.00 0.00 H new ATOM 845 N GLU A 57 10.048 3.512 3.069 1.00 0.00 N ATOM 846 CA GLU A 57 11.180 2.742 3.587 1.00 0.00 C ATOM 847 C GLU A 57 12.203 3.756 4.084 1.00 0.00 C ATOM 848 O GLU A 57 12.822 3.513 5.137 1.00 0.00 O ATOM 849 CB GLU A 57 11.746 1.855 2.469 1.00 0.00 C ATOM 850 CG GLU A 57 12.544 0.611 2.858 1.00 0.00 C ATOM 851 CD GLU A 57 13.702 0.301 1.866 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.578 0.525 0.634 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.789 -0.118 2.328 1.00 0.00 O ATOM 0 H GLU A 57 9.874 3.337 2.079 1.00 0.00 H new ATOM 0 HA GLU A 57 10.892 2.079 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.911 1.532 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.386 2.478 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.956 0.747 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.872 -0.246 2.904 1.00 0.00 H new TER 860 GLU A 57