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 50 THR OG1 : rot -89:sc= 0.51 USER MOD Set 1.2: A 52 THR OG1 : rot -171:sc= -0.177 USER MOD Set 2.1: A 9 ASN : amide:sc= -0.117 K(o=-0.11,f=-2.2) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -171:sc= 0.00497 (180deg=0) USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.25) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.03 (180deg=1.87) USER MOD Single : A 3 THR OG1 : rot 35:sc= 0.961 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.14) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -50:sc= 0.721 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00918 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= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.52) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -131:sc= 1.28 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 36:sc= 0.0161 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.832 0.999 1.455 1.00 0.00 N ATOM 2 CA MET A 1 -15.471 0.117 0.342 1.00 0.00 C ATOM 3 C MET A 1 -15.045 -1.208 0.940 1.00 0.00 C ATOM 4 O MET A 1 -15.906 -2.071 1.132 1.00 0.00 O ATOM 5 CB MET A 1 -14.454 0.764 -0.611 1.00 0.00 C ATOM 6 CG MET A 1 -14.412 0.025 -1.952 1.00 0.00 C ATOM 7 SD MET A 1 -16.002 -0.103 -2.824 1.00 0.00 S ATOM 8 CE MET A 1 -16.346 1.629 -3.250 1.00 0.00 C ATOM 0 H1 MET A 1 -16.304 1.849 1.085 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.476 0.498 2.100 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.973 1.277 1.970 1.00 0.00 H new ATOM 0 HA MET A 1 -16.324 -0.065 -0.312 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.718 1.809 -0.775 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.464 0.753 -0.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.700 0.531 -2.604 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.029 -0.981 -1.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.170 1.672 -3.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.617 2.178 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.458 2.078 -3.695 1.00 0.00 H new ATOM 18 N GLY A 2 -13.761 -1.392 1.260 1.00 0.00 N ATOM 19 CA GLY A 2 -13.282 -2.612 1.859 1.00 0.00 C ATOM 20 C GLY A 2 -11.982 -2.291 2.567 1.00 0.00 C ATOM 21 O GLY A 2 -11.421 -1.200 2.401 1.00 0.00 O ATOM 0 H GLY A 2 -13.036 -0.692 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.015 -3.007 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.126 -3.377 1.099 1.00 0.00 H new ATOM 25 N THR A 3 -11.537 -3.194 3.427 1.00 0.00 N ATOM 26 CA THR A 3 -10.287 -3.004 4.129 1.00 0.00 C ATOM 27 C THR A 3 -9.191 -3.349 3.121 1.00 0.00 C ATOM 28 O THR A 3 -9.394 -4.226 2.292 1.00 0.00 O ATOM 29 CB THR A 3 -10.252 -3.835 5.422 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.061 -3.594 6.147 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.394 -5.348 5.221 1.00 0.00 C ATOM 0 H THR A 3 -12.024 -4.061 3.652 1.00 0.00 H new ATOM 0 HA THR A 3 -10.145 -1.980 4.476 1.00 0.00 H new ATOM 0 HB THR A 3 -11.129 -3.502 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.793 -2.658 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.358 -5.849 6.189 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.347 -5.563 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.579 -5.710 4.594 1.00 0.00 H new ATOM 39 N TYR A 4 -8.058 -2.657 3.124 1.00 0.00 N ATOM 40 CA TYR A 4 -6.975 -2.953 2.195 1.00 0.00 C ATOM 41 C TYR A 4 -5.702 -3.054 3.024 1.00 0.00 C ATOM 42 O TYR A 4 -5.504 -2.211 3.917 1.00 0.00 O ATOM 43 CB TYR A 4 -6.885 -1.886 1.080 1.00 0.00 C ATOM 44 CG TYR A 4 -8.113 -1.715 0.178 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.375 -2.606 -0.884 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.978 -0.616 0.353 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.491 -2.418 -1.727 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.083 -0.410 -0.482 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.349 -1.312 -1.527 1.00 0.00 C ATOM 50 OH TYR A 4 -11.418 -1.064 -2.329 1.00 0.00 O ATOM 0 H TYR A 4 -7.865 -1.885 3.762 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.147 -3.893 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.672 -0.925 1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.031 -2.129 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.713 -3.442 -1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.784 0.085 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.690 -3.119 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.730 0.440 -0.324 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.766 -1.910 -2.681 1.00 0.00 H new ATOM 60 N LYS A 5 -4.830 -4.031 2.736 1.00 0.00 N ATOM 61 CA LYS A 5 -3.580 -4.149 3.495 1.00 0.00 C ATOM 62 C LYS A 5 -2.487 -3.510 2.636 1.00 0.00 C ATOM 63 O LYS A 5 -2.523 -3.605 1.415 1.00 0.00 O ATOM 64 CB LYS A 5 -3.245 -5.626 3.773 1.00 0.00 C ATOM 65 CG LYS A 5 -3.462 -6.062 5.229 1.00 0.00 C ATOM 66 CD LYS A 5 -2.710 -7.369 5.551 1.00 0.00 C ATOM 67 CE LYS A 5 -1.728 -7.179 6.717 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.758 -8.288 6.829 1.00 0.00 N ATOM 0 H LYS A 5 -4.961 -4.731 2.006 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.666 -3.653 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.856 -6.253 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.204 -5.807 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.123 -5.272 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.527 -6.201 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.427 -8.151 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.167 -7.705 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.188 -6.241 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.288 -7.095 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.026 -8.002 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.230 -9.123 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.386 -8.520 5.886 1.00 0.00 H new ATOM 82 N LEU A 6 -1.577 -2.747 3.232 1.00 0.00 N ATOM 83 CA LEU A 6 -0.474 -2.085 2.533 1.00 0.00 C ATOM 84 C LEU A 6 0.873 -2.518 3.107 1.00 0.00 C ATOM 85 O LEU A 6 1.144 -2.199 4.252 1.00 0.00 O ATOM 86 CB LEU A 6 -0.695 -0.558 2.531 1.00 0.00 C ATOM 87 CG LEU A 6 -0.575 0.018 1.106 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.995 1.489 1.087 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.849 -0.103 0.551 1.00 0.00 C ATOM 0 H LEU A 6 -1.583 -2.566 4.236 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.456 -2.396 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.680 -0.329 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.037 -0.081 3.182 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.240 -0.569 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.904 1.880 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.030 1.576 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.351 2.060 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.884 0.316 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.538 0.442 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.138 -1.153 0.517 1.00 0.00 H new ATOM 101 N ILE A 7 1.699 -3.276 2.403 1.00 0.00 N ATOM 102 CA ILE A 7 3.031 -3.767 2.795 1.00 0.00 C ATOM 103 C ILE A 7 4.069 -3.306 1.770 1.00 0.00 C ATOM 104 O ILE A 7 3.911 -3.515 0.568 1.00 0.00 O ATOM 105 CB ILE A 7 3.018 -5.300 3.009 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.399 -5.800 3.477 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.587 -6.093 1.767 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.340 -7.161 4.172 1.00 0.00 C ATOM 0 H ILE A 7 1.445 -3.594 1.468 1.00 0.00 H new ATOM 0 HA ILE A 7 3.313 -3.338 3.757 1.00 0.00 H new ATOM 0 HB ILE A 7 2.270 -5.479 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.065 -5.866 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.832 -5.069 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.602 -7.159 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.578 -5.797 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.274 -5.886 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.343 -7.457 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.698 -7.093 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.936 -7.904 3.484 1.00 0.00 H new ATOM 120 N LEU A 8 5.123 -2.648 2.256 1.00 0.00 N ATOM 121 CA LEU A 8 6.205 -2.116 1.442 1.00 0.00 C ATOM 122 C LEU A 8 7.514 -2.780 1.831 1.00 0.00 C ATOM 123 O LEU A 8 7.786 -2.942 3.027 1.00 0.00 O ATOM 124 CB LEU A 8 6.343 -0.595 1.636 1.00 0.00 C ATOM 125 CG LEU A 8 5.122 0.308 1.359 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.515 0.038 -0.020 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.038 0.242 2.443 1.00 0.00 C ATOM 0 H LEU A 8 5.246 -2.468 3.253 1.00 0.00 H new ATOM 0 HA LEU A 8 5.974 -2.321 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.654 -0.421 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.157 -0.254 0.996 1.00 0.00 H new ATOM 0 HG LEU A 8 5.516 1.324 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.658 0.694 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.262 0.229 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.191 -1.001 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.215 0.904 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.669 -0.780 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.459 0.555 3.398 1.00 0.00 H new ATOM 139 N ASN A 9 8.343 -3.105 0.838 1.00 0.00 N ATOM 140 CA ASN A 9 9.646 -3.732 1.040 1.00 0.00 C ATOM 141 C ASN A 9 10.719 -2.879 0.387 1.00 0.00 C ATOM 142 O ASN A 9 11.309 -3.255 -0.630 1.00 0.00 O ATOM 143 CB ASN A 9 9.668 -5.205 0.607 1.00 0.00 C ATOM 144 CG ASN A 9 9.336 -6.073 1.804 1.00 0.00 C ATOM 145 OD1 ASN A 9 10.196 -6.341 2.637 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.091 -6.465 1.963 1.00 0.00 N ATOM 0 H ASN A 9 8.123 -2.937 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 9 9.861 -3.772 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.947 -5.374 -0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.649 -5.467 0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.827 -7.001 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.389 -6.233 1.260 1.00 0.00 H new ATOM 153 N GLY A 10 10.929 -1.691 0.958 1.00 0.00 N ATOM 154 CA GLY A 10 11.931 -0.756 0.484 1.00 0.00 C ATOM 155 C GLY A 10 13.306 -1.371 0.737 1.00 0.00 C ATOM 156 O GLY A 10 13.450 -2.328 1.515 1.00 0.00 O ATOM 0 H GLY A 10 10.403 -1.357 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.793 -0.555 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.838 0.198 1.003 1.00 0.00 H new ATOM 160 N LYS A 11 14.345 -0.845 0.099 1.00 0.00 N ATOM 161 CA LYS A 11 15.706 -1.356 0.248 1.00 0.00 C ATOM 162 C LYS A 11 16.153 -1.355 1.700 1.00 0.00 C ATOM 163 O LYS A 11 16.679 -2.370 2.149 1.00 0.00 O ATOM 164 CB LYS A 11 16.642 -0.535 -0.638 1.00 0.00 C ATOM 165 CG LYS A 11 18.146 -0.758 -0.416 1.00 0.00 C ATOM 166 CD LYS A 11 18.884 0.206 -1.345 1.00 0.00 C ATOM 167 CE LYS A 11 20.402 0.110 -1.221 1.00 0.00 C ATOM 168 NZ LYS A 11 21.064 1.183 -1.992 1.00 0.00 N ATOM 0 H LYS A 11 14.269 -0.051 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 11 15.735 -2.397 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.412 -0.757 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.424 0.522 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.414 -0.572 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.419 -1.790 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.596 0.001 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.571 1.226 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.690 0.180 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.739 -0.862 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.096 1.097 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.805 1.099 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.758 2.109 -1.631 1.00 0.00 H new ATOM 182 N THR A 12 15.986 -0.244 2.423 1.00 0.00 N ATOM 183 CA THR A 12 16.411 -0.170 3.819 1.00 0.00 C ATOM 184 C THR A 12 15.309 0.170 4.828 1.00 0.00 C ATOM 185 O THR A 12 15.569 0.108 6.029 1.00 0.00 O ATOM 186 CB THR A 12 17.704 0.655 3.884 1.00 0.00 C ATOM 187 OG1 THR A 12 18.648 0.127 4.807 1.00 0.00 O ATOM 188 CG2 THR A 12 17.490 2.144 4.133 1.00 0.00 C ATOM 0 H THR A 12 15.561 0.611 2.065 1.00 0.00 H new ATOM 0 HA THR A 12 16.648 -1.171 4.179 1.00 0.00 H new ATOM 0 HB THR A 12 18.119 0.567 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.452 0.687 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.455 2.650 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.886 2.564 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.976 2.284 5.084 1.00 0.00 H new ATOM 196 N LEU A 13 14.107 0.552 4.387 1.00 0.00 N ATOM 197 CA LEU A 13 12.982 0.869 5.263 1.00 0.00 C ATOM 198 C LEU A 13 11.822 0.026 4.759 1.00 0.00 C ATOM 199 O LEU A 13 11.641 -0.132 3.549 1.00 0.00 O ATOM 200 CB LEU A 13 12.643 2.365 5.283 1.00 0.00 C ATOM 201 CG LEU A 13 13.680 3.207 6.062 1.00 0.00 C ATOM 202 CD1 LEU A 13 14.351 4.262 5.176 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.027 3.913 7.253 1.00 0.00 C ATOM 0 H LEU A 13 13.888 0.650 3.396 1.00 0.00 H new ATOM 0 HA LEU A 13 13.224 0.639 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.581 2.732 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.659 2.503 5.732 1.00 0.00 H new ATOM 0 HG LEU A 13 14.440 2.509 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.071 4.828 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.866 3.770 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.594 4.939 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.777 4.499 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.237 4.574 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.601 3.170 7.928 1.00 0.00 H new ATOM 215 N LYS A 14 11.077 -0.574 5.681 1.00 0.00 N ATOM 216 CA LYS A 14 9.948 -1.443 5.374 1.00 0.00 C ATOM 217 C LYS A 14 8.832 -1.236 6.380 1.00 0.00 C ATOM 218 O LYS A 14 9.051 -0.646 7.442 1.00 0.00 O ATOM 219 CB LYS A 14 10.419 -2.902 5.463 1.00 0.00 C ATOM 220 CG LYS A 14 11.618 -3.244 4.572 1.00 0.00 C ATOM 221 CD LYS A 14 11.986 -4.714 4.746 1.00 0.00 C ATOM 222 CE LYS A 14 12.974 -5.084 3.643 1.00 0.00 C ATOM 223 NZ LYS A 14 13.221 -6.533 3.600 1.00 0.00 N ATOM 0 H LYS A 14 11.245 -0.468 6.681 1.00 0.00 H new ATOM 0 HA LYS A 14 9.578 -1.210 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.678 -3.123 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.588 -3.555 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.377 -3.041 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.468 -2.613 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.429 -4.883 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.096 -5.340 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.586 -4.752 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.915 -4.559 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.005 -6.732 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.468 -6.871 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.364 -7.022 3.271 1.00 0.00 H new ATOM 237 N GLY A 15 7.643 -1.739 6.075 1.00 0.00 N ATOM 238 CA GLY A 15 6.500 -1.634 6.960 1.00 0.00 C ATOM 239 C GLY A 15 5.296 -2.358 6.372 1.00 0.00 C ATOM 240 O GLY A 15 5.366 -2.850 5.239 1.00 0.00 O ATOM 0 H GLY A 15 7.448 -2.232 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.747 -2.059 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.255 -0.584 7.123 1.00 0.00 H new ATOM 244 N GLU A 16 4.233 -2.516 7.163 1.00 0.00 N ATOM 245 CA GLU A 16 2.994 -3.152 6.743 1.00 0.00 C ATOM 246 C GLU A 16 1.839 -2.575 7.558 1.00 0.00 C ATOM 247 O GLU A 16 1.967 -2.407 8.769 1.00 0.00 O ATOM 248 CB GLU A 16 3.036 -4.697 6.759 1.00 0.00 C ATOM 249 CG GLU A 16 2.882 -5.446 8.095 1.00 0.00 C ATOM 250 CD GLU A 16 2.274 -6.843 7.876 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.872 -7.695 7.187 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.157 -7.085 8.397 1.00 0.00 O ATOM 0 H GLU A 16 4.214 -2.197 8.132 1.00 0.00 H new ATOM 0 HA GLU A 16 2.839 -2.919 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.249 -5.052 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.986 -5.002 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.855 -5.540 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.247 -4.870 8.768 1.00 0.00 H new ATOM 259 N THR A 17 0.699 -2.314 6.917 1.00 0.00 N ATOM 260 CA THR A 17 -0.469 -1.753 7.604 1.00 0.00 C ATOM 261 C THR A 17 -1.761 -2.362 7.039 1.00 0.00 C ATOM 262 O THR A 17 -1.724 -3.144 6.082 1.00 0.00 O ATOM 263 CB THR A 17 -0.402 -0.204 7.527 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.393 0.401 8.331 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.548 0.327 6.097 1.00 0.00 C ATOM 0 H THR A 17 0.558 -2.482 5.921 1.00 0.00 H new ATOM 0 HA THR A 17 -0.467 -2.014 8.662 1.00 0.00 H new ATOM 0 HB THR A 17 0.589 0.059 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.321 1.376 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.493 1.416 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.255 -0.072 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.510 0.015 5.690 1.00 0.00 H new ATOM 273 N THR A 18 -2.890 -2.044 7.668 1.00 0.00 N ATOM 274 CA THR A 18 -4.253 -2.444 7.348 1.00 0.00 C ATOM 275 C THR A 18 -5.024 -1.128 7.405 1.00 0.00 C ATOM 276 O THR A 18 -4.730 -0.289 8.266 1.00 0.00 O ATOM 277 CB THR A 18 -4.740 -3.549 8.314 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.235 -4.652 7.587 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.834 -3.145 9.309 1.00 0.00 C ATOM 0 H THR A 18 -2.868 -1.443 8.492 1.00 0.00 H new ATOM 0 HA THR A 18 -4.381 -2.912 6.372 1.00 0.00 H new ATOM 0 HB THR A 18 -3.849 -3.782 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.538 -5.345 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.093 -4.001 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.471 -2.334 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.717 -2.813 8.764 1.00 0.00 H new ATOM 287 N THR A 19 -6.003 -0.928 6.521 1.00 0.00 N ATOM 288 CA THR A 19 -6.736 0.333 6.475 1.00 0.00 C ATOM 289 C THR A 19 -8.216 0.163 6.114 1.00 0.00 C ATOM 290 O THR A 19 -8.591 -0.874 5.559 1.00 0.00 O ATOM 291 CB THR A 19 -6.009 1.191 5.414 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.988 0.554 4.141 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.545 1.507 5.746 1.00 0.00 C ATOM 0 H THR A 19 -6.303 -1.619 5.833 1.00 0.00 H new ATOM 0 HA THR A 19 -6.744 0.798 7.461 1.00 0.00 H new ATOM 0 HB THR A 19 -6.588 2.115 5.404 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.665 -0.366 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.114 2.112 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.496 2.057 6.686 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.984 0.577 5.840 1.00 0.00 H new ATOM 301 N GLU A 20 -9.055 1.174 6.368 1.00 0.00 N ATOM 302 CA GLU A 20 -10.494 1.238 6.072 1.00 0.00 C ATOM 303 C GLU A 20 -10.768 2.545 5.308 1.00 0.00 C ATOM 304 O GLU A 20 -10.117 3.548 5.595 1.00 0.00 O ATOM 305 CB GLU A 20 -11.331 1.222 7.357 1.00 0.00 C ATOM 306 CG GLU A 20 -11.305 -0.120 8.095 1.00 0.00 C ATOM 307 CD GLU A 20 -12.379 -0.125 9.183 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.508 -0.602 8.912 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.127 0.400 10.290 1.00 0.00 O ATOM 0 H GLU A 20 -8.725 2.029 6.817 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.773 0.367 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.967 2.001 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.363 1.470 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.479 -0.936 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.323 -0.284 8.538 1.00 0.00 H new ATOM 316 N ALA A 21 -11.682 2.572 4.329 1.00 0.00 N ATOM 317 CA ALA A 21 -12.016 3.781 3.572 1.00 0.00 C ATOM 318 C ALA A 21 -13.407 3.653 2.963 1.00 0.00 C ATOM 319 O ALA A 21 -13.788 2.566 2.514 1.00 0.00 O ATOM 320 CB ALA A 21 -11.012 4.039 2.439 1.00 0.00 C ATOM 0 H ALA A 21 -12.212 1.750 4.040 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.981 4.616 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.295 4.944 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.014 4.163 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.014 3.193 1.751 1.00 0.00 H new ATOM 326 N VAL A 22 -14.127 4.775 2.893 1.00 0.00 N ATOM 327 CA VAL A 22 -15.471 4.854 2.330 1.00 0.00 C ATOM 328 C VAL A 22 -15.480 4.424 0.863 1.00 0.00 C ATOM 329 O VAL A 22 -16.306 3.599 0.469 1.00 0.00 O ATOM 330 CB VAL A 22 -16.079 6.263 2.504 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.380 6.562 3.973 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.204 7.409 1.967 1.00 0.00 C ATOM 0 H VAL A 22 -13.782 5.672 3.234 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.100 4.158 2.886 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.992 6.230 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.807 7.561 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.090 5.829 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.458 6.509 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.710 8.361 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.247 7.411 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.035 7.268 0.900 1.00 0.00 H new ATOM 342 N ASP A 23 -14.511 4.875 0.071 1.00 0.00 N ATOM 343 CA ASP A 23 -14.408 4.571 -1.348 1.00 0.00 C ATOM 344 C ASP A 23 -12.939 4.330 -1.680 1.00 0.00 C ATOM 345 O ASP A 23 -12.046 4.744 -0.933 1.00 0.00 O ATOM 346 CB ASP A 23 -14.955 5.787 -2.115 1.00 0.00 C ATOM 347 CG ASP A 23 -15.222 5.518 -3.598 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.285 5.160 -4.338 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.385 5.722 -4.016 1.00 0.00 O ATOM 0 H ASP A 23 -13.759 5.476 0.409 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.975 3.682 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.881 6.115 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.244 6.609 -2.027 1.00 0.00 H new ATOM 354 N ALA A 24 -12.684 3.622 -2.778 1.00 0.00 N ATOM 355 CA ALA A 24 -11.342 3.332 -3.241 1.00 0.00 C ATOM 356 C ALA A 24 -10.682 4.622 -3.736 1.00 0.00 C ATOM 357 O ALA A 24 -9.459 4.706 -3.714 1.00 0.00 O ATOM 358 CB ALA A 24 -11.391 2.285 -4.354 1.00 0.00 C ATOM 0 H ALA A 24 -13.415 3.232 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.750 2.930 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.379 2.072 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.845 1.370 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.984 2.666 -5.186 1.00 0.00 H new ATOM 364 N ALA A 25 -11.468 5.634 -4.127 1.00 0.00 N ATOM 365 CA ALA A 25 -10.986 6.921 -4.608 1.00 0.00 C ATOM 366 C ALA A 25 -10.040 7.559 -3.585 1.00 0.00 C ATOM 367 O ALA A 25 -8.913 7.925 -3.921 1.00 0.00 O ATOM 368 CB ALA A 25 -12.194 7.833 -4.867 1.00 0.00 C ATOM 0 H ALA A 25 -12.486 5.571 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.428 6.780 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.848 8.801 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.841 7.376 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.752 7.969 -3.941 1.00 0.00 H new ATOM 374 N THR A 26 -10.481 7.649 -2.329 1.00 0.00 N ATOM 375 CA THR A 26 -9.705 8.234 -1.245 1.00 0.00 C ATOM 376 C THR A 26 -8.486 7.354 -0.921 1.00 0.00 C ATOM 377 O THR A 26 -7.410 7.876 -0.611 1.00 0.00 O ATOM 378 CB THR A 26 -10.636 8.438 -0.028 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.923 8.879 -0.440 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.085 9.488 0.938 1.00 0.00 C ATOM 0 H THR A 26 -11.399 7.312 -2.037 1.00 0.00 H new ATOM 0 HA THR A 26 -9.309 9.207 -1.538 1.00 0.00 H new ATOM 0 HB THR A 26 -10.700 7.471 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.495 8.999 0.347 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.768 9.602 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.109 9.169 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.985 10.442 0.420 1.00 0.00 H new ATOM 388 N ALA A 27 -8.650 6.027 -0.997 1.00 0.00 N ATOM 389 CA ALA A 27 -7.588 5.073 -0.720 1.00 0.00 C ATOM 390 C ALA A 27 -6.470 5.173 -1.765 1.00 0.00 C ATOM 391 O ALA A 27 -5.300 5.158 -1.416 1.00 0.00 O ATOM 392 CB ALA A 27 -8.160 3.653 -0.663 1.00 0.00 C ATOM 0 H ALA A 27 -9.534 5.590 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.152 5.312 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.357 2.945 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.909 3.594 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.621 3.408 -1.620 1.00 0.00 H new ATOM 398 N GLU A 28 -6.806 5.322 -3.044 1.00 0.00 N ATOM 399 CA GLU A 28 -5.859 5.420 -4.150 1.00 0.00 C ATOM 400 C GLU A 28 -4.835 6.539 -3.901 1.00 0.00 C ATOM 401 O GLU A 28 -3.638 6.359 -4.147 1.00 0.00 O ATOM 402 CB GLU A 28 -6.686 5.634 -5.425 1.00 0.00 C ATOM 403 CG GLU A 28 -5.896 5.529 -6.729 1.00 0.00 C ATOM 404 CD GLU A 28 -6.813 5.808 -7.922 1.00 0.00 C ATOM 405 OE1 GLU A 28 -7.028 4.890 -8.748 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.287 6.963 -8.059 1.00 0.00 O ATOM 0 H GLU A 28 -7.778 5.380 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.266 4.511 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.492 4.900 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.152 6.618 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.070 6.240 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.460 4.534 -6.820 1.00 0.00 H new ATOM 413 N LYS A 29 -5.294 7.677 -3.373 1.00 0.00 N ATOM 414 CA LYS A 29 -4.438 8.823 -3.070 1.00 0.00 C ATOM 415 C LYS A 29 -3.615 8.585 -1.812 1.00 0.00 C ATOM 416 O LYS A 29 -2.430 8.941 -1.792 1.00 0.00 O ATOM 417 CB LYS A 29 -5.280 10.100 -2.954 1.00 0.00 C ATOM 418 CG LYS A 29 -5.842 10.461 -4.333 1.00 0.00 C ATOM 419 CD LYS A 29 -6.666 11.743 -4.322 1.00 0.00 C ATOM 420 CE LYS A 29 -7.173 11.935 -5.750 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.093 13.074 -5.883 1.00 0.00 N ATOM 0 H LYS A 29 -6.276 7.828 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.735 8.951 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.094 9.950 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.670 10.918 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.018 10.571 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.462 9.640 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.497 11.666 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.060 12.592 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.322 12.082 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.679 11.026 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.404 13.155 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.921 12.925 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.606 13.948 -5.600 1.00 0.00 H new ATOM 435 N VAL A 30 -4.218 8.014 -0.760 1.00 0.00 N ATOM 436 CA VAL A 30 -3.474 7.758 0.468 1.00 0.00 C ATOM 437 C VAL A 30 -2.404 6.704 0.208 1.00 0.00 C ATOM 438 O VAL A 30 -1.335 6.811 0.791 1.00 0.00 O ATOM 439 CB VAL A 30 -4.369 7.440 1.685 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.739 5.965 1.852 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.678 7.902 2.978 1.00 0.00 C ATOM 0 H VAL A 30 -5.197 7.728 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.976 8.684 0.756 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.297 7.979 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.368 5.845 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.281 5.624 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.831 5.373 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.315 7.674 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.726 7.383 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.502 8.977 2.933 1.00 0.00 H new ATOM 451 N PHE A 31 -2.628 5.728 -0.681 1.00 0.00 N ATOM 452 CA PHE A 31 -1.644 4.691 -0.953 1.00 0.00 C ATOM 453 C PHE A 31 -0.310 5.296 -1.382 1.00 0.00 C ATOM 454 O PHE A 31 0.729 4.873 -0.880 1.00 0.00 O ATOM 455 CB PHE A 31 -2.140 3.787 -2.096 1.00 0.00 C ATOM 456 CG PHE A 31 -3.236 2.765 -1.833 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.873 2.614 -0.582 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.596 1.915 -2.895 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.851 1.619 -0.405 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.568 0.922 -2.715 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.198 0.770 -1.469 1.00 0.00 C ATOM 0 H PHE A 31 -3.488 5.641 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.508 4.119 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.489 4.438 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.276 3.245 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.609 3.263 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.119 2.029 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.337 1.507 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.833 0.272 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.946 0.004 -1.329 1.00 0.00 H new ATOM 471 N LYS A 32 -0.326 6.292 -2.279 1.00 0.00 N ATOM 472 CA LYS A 32 0.907 6.924 -2.743 1.00 0.00 C ATOM 473 C LYS A 32 1.572 7.684 -1.598 1.00 0.00 C ATOM 474 O LYS A 32 2.755 7.484 -1.356 1.00 0.00 O ATOM 475 CB LYS A 32 0.622 7.819 -3.961 1.00 0.00 C ATOM 476 CG LYS A 32 1.908 8.446 -4.522 1.00 0.00 C ATOM 477 CD LYS A 32 1.687 8.972 -5.944 1.00 0.00 C ATOM 478 CE LYS A 32 2.969 9.614 -6.474 1.00 0.00 C ATOM 479 NZ LYS A 32 2.914 9.914 -7.920 1.00 0.00 N ATOM 0 H LYS A 32 -1.177 6.673 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 32 1.610 6.158 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.135 7.230 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.073 8.609 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.232 9.261 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.707 7.705 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.383 8.155 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.877 9.702 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.160 10.536 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.809 8.947 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.811 10.347 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.761 9.033 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.132 10.573 -8.108 1.00 0.00 H new ATOM 493 N GLN A 33 0.813 8.512 -0.882 1.00 0.00 N ATOM 494 CA GLN A 33 1.310 9.307 0.237 1.00 0.00 C ATOM 495 C GLN A 33 1.912 8.431 1.335 1.00 0.00 C ATOM 496 O GLN A 33 3.040 8.656 1.762 1.00 0.00 O ATOM 497 CB GLN A 33 0.116 10.116 0.776 1.00 0.00 C ATOM 498 CG GLN A 33 0.340 10.771 2.150 1.00 0.00 C ATOM 499 CD GLN A 33 -0.867 11.631 2.507 1.00 0.00 C ATOM 500 OE1 GLN A 33 -1.111 12.657 1.871 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.667 11.220 3.478 1.00 0.00 N ATOM 0 H GLN A 33 -0.180 8.651 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 33 2.112 9.965 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.130 10.895 0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.750 9.457 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.491 10.004 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.242 11.382 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.448 10.367 3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.503 11.756 3.711 1.00 0.00 H new ATOM 510 N TYR A 34 1.160 7.424 1.767 1.00 0.00 N ATOM 511 CA TYR A 34 1.533 6.501 2.815 1.00 0.00 C ATOM 512 C TYR A 34 2.825 5.777 2.485 1.00 0.00 C ATOM 513 O TYR A 34 3.770 5.787 3.274 1.00 0.00 O ATOM 514 CB TYR A 34 0.410 5.489 3.062 1.00 0.00 C ATOM 515 CG TYR A 34 0.772 4.539 4.185 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.309 3.267 3.912 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.711 5.009 5.505 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.810 2.477 4.960 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.223 4.232 6.558 1.00 0.00 C ATOM 520 CZ TYR A 34 1.781 2.963 6.289 1.00 0.00 C ATOM 521 OH TYR A 34 2.257 2.193 7.306 1.00 0.00 O ATOM 0 H TYR A 34 0.239 7.227 1.376 1.00 0.00 H new ATOM 0 HA TYR A 34 1.695 7.081 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.511 6.016 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.218 4.923 2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.336 2.898 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.269 5.972 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.217 1.499 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.190 4.605 7.571 1.00 0.00 H new ATOM 0 HH TYR A 34 2.164 2.676 8.153 1.00 0.00 H new ATOM 531 N ALA A 35 2.860 5.143 1.315 1.00 0.00 N ATOM 532 CA ALA A 35 4.027 4.404 0.893 1.00 0.00 C ATOM 533 C ALA A 35 5.225 5.332 0.688 1.00 0.00 C ATOM 534 O ALA A 35 6.326 4.975 1.095 1.00 0.00 O ATOM 535 CB ALA A 35 3.663 3.613 -0.352 1.00 0.00 C ATOM 0 H ALA A 35 2.088 5.132 0.648 1.00 0.00 H new ATOM 0 HA ALA A 35 4.337 3.703 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.531 3.046 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.848 2.927 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.349 4.298 -1.139 1.00 0.00 H new ATOM 541 N ASN A 36 5.037 6.521 0.105 1.00 0.00 N ATOM 542 CA ASN A 36 6.133 7.463 -0.123 1.00 0.00 C ATOM 543 C ASN A 36 6.816 7.860 1.182 1.00 0.00 C ATOM 544 O ASN A 36 8.027 8.050 1.182 1.00 0.00 O ATOM 545 CB ASN A 36 5.679 8.698 -0.901 1.00 0.00 C ATOM 546 CG ASN A 36 6.884 9.571 -1.222 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.053 10.650 -0.659 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.737 9.144 -2.138 1.00 0.00 N ATOM 0 H ASN A 36 4.129 6.853 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 36 6.867 6.943 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.180 8.397 -1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.954 9.263 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.547 9.712 -2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.585 8.246 -2.598 1.00 0.00 H new ATOM 555 N ASP A 37 6.080 7.940 2.294 1.00 0.00 N ATOM 556 CA ASP A 37 6.653 8.286 3.605 1.00 0.00 C ATOM 557 C ASP A 37 7.654 7.207 4.045 1.00 0.00 C ATOM 558 O ASP A 37 8.614 7.478 4.766 1.00 0.00 O ATOM 559 CB ASP A 37 5.532 8.433 4.638 1.00 0.00 C ATOM 560 CG ASP A 37 6.065 8.617 6.059 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.339 9.773 6.455 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.120 7.628 6.824 1.00 0.00 O ATOM 0 H ASP A 37 5.075 7.768 2.315 1.00 0.00 H new ATOM 0 HA ASP A 37 7.183 9.235 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.909 9.287 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.894 7.550 4.604 1.00 0.00 H new ATOM 567 N ASN A 38 7.471 5.974 3.561 1.00 0.00 N ATOM 568 CA ASN A 38 8.308 4.804 3.830 1.00 0.00 C ATOM 569 C ASN A 38 9.533 4.797 2.883 1.00 0.00 C ATOM 570 O ASN A 38 10.351 3.879 2.921 1.00 0.00 O ATOM 571 CB ASN A 38 7.435 3.541 3.685 1.00 0.00 C ATOM 572 CG ASN A 38 7.827 2.342 4.547 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.824 2.314 5.264 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.975 1.326 4.530 1.00 0.00 N ATOM 0 H ASN A 38 6.693 5.756 2.938 1.00 0.00 H new ATOM 0 HA ASN A 38 8.704 4.831 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.405 3.809 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.453 3.231 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.144 0.509 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.151 1.362 3.930 1.00 0.00 H new ATOM 581 N GLY A 39 9.694 5.834 2.047 1.00 0.00 N ATOM 582 CA GLY A 39 10.784 6.034 1.093 1.00 0.00 C ATOM 583 C GLY A 39 10.791 5.037 -0.062 1.00 0.00 C ATOM 584 O GLY A 39 11.854 4.618 -0.524 1.00 0.00 O ATOM 0 H GLY A 39 9.022 6.601 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.717 7.043 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.734 5.966 1.623 1.00 0.00 H new ATOM 588 N VAL A 40 9.616 4.650 -0.546 1.00 0.00 N ATOM 589 CA VAL A 40 9.491 3.687 -1.632 1.00 0.00 C ATOM 590 C VAL A 40 9.680 4.248 -3.038 1.00 0.00 C ATOM 591 O VAL A 40 9.302 5.381 -3.354 1.00 0.00 O ATOM 592 CB VAL A 40 8.105 3.033 -1.598 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.865 2.302 -0.279 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.005 4.075 -1.865 1.00 0.00 C ATOM 0 H VAL A 40 8.723 4.996 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 40 10.303 2.983 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 40 8.067 2.289 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.873 1.850 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.617 1.523 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.933 3.010 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.029 3.590 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.046 4.852 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.159 4.523 -2.847 1.00 0.00 H new ATOM 604 N ASP A 41 10.310 3.430 -3.862 1.00 0.00 N ATOM 605 CA ASP A 41 10.589 3.582 -5.275 1.00 0.00 C ATOM 606 C ASP A 41 10.334 2.161 -5.803 1.00 0.00 C ATOM 607 O ASP A 41 11.202 1.312 -5.600 1.00 0.00 O ATOM 608 CB ASP A 41 12.011 4.122 -5.483 1.00 0.00 C ATOM 609 CG ASP A 41 12.274 4.577 -6.914 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.455 4.821 -7.242 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.312 4.795 -7.683 1.00 0.00 O ATOM 0 H ASP A 41 10.679 2.544 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 41 9.979 4.310 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.178 4.959 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.730 3.347 -5.216 1.00 0.00 H new ATOM 616 N GLY A 42 9.151 1.810 -6.328 1.00 0.00 N ATOM 617 CA GLY A 42 8.916 0.444 -6.808 1.00 0.00 C ATOM 618 C GLY A 42 7.594 0.269 -7.557 1.00 0.00 C ATOM 619 O GLY A 42 6.869 1.238 -7.780 1.00 0.00 O ATOM 0 H GLY A 42 8.356 2.441 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.736 0.154 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.933 -0.237 -5.957 1.00 0.00 H new ATOM 623 N GLU A 43 7.289 -0.967 -7.956 1.00 0.00 N ATOM 624 CA GLU A 43 6.090 -1.363 -8.693 1.00 0.00 C ATOM 625 C GLU A 43 5.057 -1.967 -7.744 1.00 0.00 C ATOM 626 O GLU A 43 5.412 -2.579 -6.730 1.00 0.00 O ATOM 627 CB GLU A 43 6.402 -2.259 -9.897 1.00 0.00 C ATOM 628 CG GLU A 43 6.873 -3.683 -9.565 1.00 0.00 C ATOM 629 CD GLU A 43 7.099 -4.526 -10.827 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.303 -4.401 -11.787 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.042 -5.353 -10.812 1.00 0.00 O ATOM 0 H GLU A 43 7.903 -1.758 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 43 5.650 -0.464 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.508 -2.327 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.170 -1.773 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.799 -3.634 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.132 -4.171 -8.932 1.00 0.00 H new ATOM 638 N TRP A 44 3.775 -1.803 -8.079 1.00 0.00 N ATOM 639 CA TRP A 44 2.656 -2.260 -7.268 1.00 0.00 C ATOM 640 C TRP A 44 1.951 -3.500 -7.803 1.00 0.00 C ATOM 641 O TRP A 44 1.582 -3.557 -8.977 1.00 0.00 O ATOM 642 CB TRP A 44 1.667 -1.094 -7.130 1.00 0.00 C ATOM 643 CG TRP A 44 2.181 0.049 -6.303 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.324 0.738 -6.527 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.638 0.585 -5.059 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.561 1.601 -5.490 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.532 1.584 -4.572 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.492 0.311 -4.280 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.291 2.281 -3.382 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.239 1.003 -3.082 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.140 1.985 -2.633 1.00 0.00 C ATOM 0 H TRP A 44 3.485 -1.339 -8.940 1.00 0.00 H new ATOM 0 HA TRP A 44 3.056 -2.567 -6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.415 -0.725 -8.124 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.744 -1.465 -6.685 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.956 0.624 -7.395 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.394 2.183 -5.407 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.204 -0.445 -4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.983 3.038 -3.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.647 0.780 -2.507 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.947 2.513 -1.711 1.00 0.00 H new ATOM 662 N THR A 45 1.713 -4.444 -6.894 1.00 0.00 N ATOM 663 CA THR A 45 1.037 -5.722 -7.087 1.00 0.00 C ATOM 664 C THR A 45 -0.043 -5.805 -5.996 1.00 0.00 C ATOM 665 O THR A 45 0.087 -5.140 -4.960 1.00 0.00 O ATOM 666 CB THR A 45 2.065 -6.861 -6.972 1.00 0.00 C ATOM 667 OG1 THR A 45 3.197 -6.582 -7.764 1.00 0.00 O ATOM 668 CG2 THR A 45 1.515 -8.196 -7.475 1.00 0.00 C ATOM 0 H THR A 45 2.013 -4.323 -5.927 1.00 0.00 H new ATOM 0 HA THR A 45 0.576 -5.810 -8.071 1.00 0.00 H new ATOM 0 HB THR A 45 2.312 -6.932 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.843 -7.314 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.279 -8.966 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.639 -8.473 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.234 -8.102 -8.524 1.00 0.00 H new ATOM 676 N TYR A 46 -1.096 -6.603 -6.181 1.00 0.00 N ATOM 677 CA TYR A 46 -2.179 -6.728 -5.211 1.00 0.00 C ATOM 678 C TYR A 46 -2.639 -8.176 -5.070 1.00 0.00 C ATOM 679 O TYR A 46 -2.717 -8.905 -6.065 1.00 0.00 O ATOM 680 CB TYR A 46 -3.312 -5.814 -5.700 1.00 0.00 C ATOM 681 CG TYR A 46 -4.664 -5.921 -5.019 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.814 -5.520 -3.680 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.794 -6.323 -5.763 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.095 -5.472 -3.104 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.071 -6.318 -5.175 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.228 -5.876 -3.843 1.00 0.00 C ATOM 687 OH TYR A 46 -8.460 -5.837 -3.267 1.00 0.00 O ATOM 0 H TYR A 46 -1.220 -7.182 -7.012 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.847 -6.429 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.972 -4.783 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.459 -6.005 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.947 -5.250 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.677 -6.636 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.214 -5.124 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.929 -6.651 -5.740 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.916 -6.693 -3.411 1.00 0.00 H new ATOM 697 N ASP A 47 -2.960 -8.584 -3.844 1.00 0.00 N ATOM 698 CA ASP A 47 -3.454 -9.895 -3.447 1.00 0.00 C ATOM 699 C ASP A 47 -4.836 -9.583 -2.880 1.00 0.00 C ATOM 700 O ASP A 47 -4.978 -9.283 -1.691 1.00 0.00 O ATOM 701 CB ASP A 47 -2.554 -10.544 -2.371 1.00 0.00 C ATOM 702 CG ASP A 47 -1.368 -11.337 -2.917 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.601 -12.264 -3.728 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.218 -11.090 -2.474 1.00 0.00 O ATOM 0 H ASP A 47 -2.874 -7.957 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.471 -10.606 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.177 -9.761 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.165 -11.207 -1.759 1.00 0.00 H new ATOM 709 N ASP A 48 -5.873 -9.715 -3.708 1.00 0.00 N ATOM 710 CA ASP A 48 -7.266 -9.428 -3.349 1.00 0.00 C ATOM 711 C ASP A 48 -7.779 -10.259 -2.174 1.00 0.00 C ATOM 712 O ASP A 48 -8.577 -9.776 -1.371 1.00 0.00 O ATOM 713 CB ASP A 48 -8.173 -9.612 -4.570 1.00 0.00 C ATOM 714 CG ASP A 48 -9.591 -9.139 -4.255 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.490 -10.003 -4.094 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.785 -7.913 -4.121 1.00 0.00 O ATOM 0 H ASP A 48 -5.767 -10.032 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.292 -8.389 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.775 -9.050 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.190 -10.661 -4.864 1.00 0.00 H new ATOM 721 N ALA A 49 -7.249 -11.469 -2.008 1.00 0.00 N ATOM 722 CA ALA A 49 -7.628 -12.391 -0.948 1.00 0.00 C ATOM 723 C ALA A 49 -7.449 -11.806 0.456 1.00 0.00 C ATOM 724 O ALA A 49 -8.217 -12.143 1.360 1.00 0.00 O ATOM 725 CB ALA A 49 -6.786 -13.653 -1.097 1.00 0.00 C ATOM 0 H ALA A 49 -6.526 -11.841 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.692 -12.606 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.051 -14.362 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.974 -14.103 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.730 -13.398 -1.013 1.00 0.00 H new ATOM 731 N THR A 50 -6.467 -10.921 0.638 1.00 0.00 N ATOM 732 CA THR A 50 -6.120 -10.256 1.898 1.00 0.00 C ATOM 733 C THR A 50 -6.100 -8.721 1.734 1.00 0.00 C ATOM 734 O THR A 50 -5.940 -7.991 2.709 1.00 0.00 O ATOM 735 CB THR A 50 -4.809 -10.890 2.426 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.280 -10.216 3.555 1.00 0.00 O ATOM 737 CG2 THR A 50 -3.725 -11.021 1.341 1.00 0.00 C ATOM 0 H THR A 50 -5.860 -10.633 -0.129 1.00 0.00 H new ATOM 0 HA THR A 50 -6.881 -10.417 2.662 1.00 0.00 H new ATOM 0 HB THR A 50 -5.099 -11.893 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.681 -9.500 3.257 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.831 -11.472 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.095 -11.651 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.481 -10.033 0.950 1.00 0.00 H new ATOM 745 N LYS A 51 -6.357 -8.229 0.520 1.00 0.00 N ATOM 746 CA LYS A 51 -6.419 -6.892 0.002 1.00 0.00 C ATOM 747 C LYS A 51 -5.066 -6.211 0.148 1.00 0.00 C ATOM 748 O LYS A 51 -4.997 -4.989 0.160 1.00 0.00 O ATOM 749 CB LYS A 51 -7.681 -6.193 0.522 1.00 0.00 C ATOM 750 CG LYS A 51 -8.944 -6.944 0.054 1.00 0.00 C ATOM 751 CD LYS A 51 -10.234 -6.181 0.349 1.00 0.00 C ATOM 752 CE LYS A 51 -11.415 -6.862 -0.322 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.690 -6.181 -0.028 1.00 0.00 N ATOM 0 H LYS A 51 -6.557 -8.887 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.567 -6.854 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.658 -6.151 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.708 -5.164 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.874 -7.129 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.984 -7.917 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.397 -6.132 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.147 -5.155 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.256 -6.883 -1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.473 -7.898 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.468 -6.679 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.856 -6.183 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.646 -5.200 -0.369 1.00 0.00 H new ATOM 767 N THR A 52 -4.011 -7.016 0.261 1.00 0.00 N ATOM 768 CA THR A 52 -2.635 -6.632 0.432 1.00 0.00 C ATOM 769 C THR A 52 -2.035 -6.099 -0.860 1.00 0.00 C ATOM 770 O THR A 52 -2.051 -6.776 -1.884 1.00 0.00 O ATOM 771 CB THR A 52 -1.849 -7.835 0.977 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.496 -8.335 2.131 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.432 -7.472 1.403 1.00 0.00 C ATOM 0 H THR A 52 -4.118 -8.030 0.231 1.00 0.00 H new ATOM 0 HA THR A 52 -2.576 -5.814 1.150 1.00 0.00 H new ATOM 0 HB THR A 52 -1.807 -8.564 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.926 -9.007 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.074 -8.361 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.116 -7.078 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.470 -6.717 2.188 1.00 0.00 H new ATOM 781 N PHE A 53 -1.534 -4.873 -0.800 1.00 0.00 N ATOM 782 CA PHE A 53 -0.862 -4.156 -1.857 1.00 0.00 C ATOM 783 C PHE A 53 0.591 -4.351 -1.467 1.00 0.00 C ATOM 784 O PHE A 53 1.030 -3.815 -0.444 1.00 0.00 O ATOM 785 CB PHE A 53 -1.286 -2.687 -1.865 1.00 0.00 C ATOM 786 CG PHE A 53 -2.547 -2.485 -2.667 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.457 -2.398 -4.067 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.808 -2.480 -2.043 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.621 -2.303 -4.841 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.975 -2.379 -2.823 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.881 -2.297 -4.224 1.00 0.00 C ATOM 0 H PHE A 53 -1.595 -4.319 0.055 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.083 -4.500 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.445 -2.347 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.485 -2.077 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.489 -2.404 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.880 -2.554 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.548 -2.234 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.944 -2.364 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.777 -2.230 -4.823 1.00 0.00 H new ATOM 801 N THR A 54 1.309 -5.131 -2.265 1.00 0.00 N ATOM 802 CA THR A 54 2.700 -5.481 -2.053 1.00 0.00 C ATOM 803 C THR A 54 3.616 -4.728 -3.025 1.00 0.00 C ATOM 804 O THR A 54 3.314 -4.622 -4.220 1.00 0.00 O ATOM 805 CB THR A 54 2.782 -7.015 -2.206 1.00 0.00 C ATOM 806 OG1 THR A 54 1.837 -7.631 -1.347 1.00 0.00 O ATOM 807 CG2 THR A 54 4.156 -7.567 -1.858 1.00 0.00 C ATOM 0 H THR A 54 0.920 -5.551 -3.109 1.00 0.00 H new ATOM 0 HA THR A 54 3.048 -5.187 -1.063 1.00 0.00 H new ATOM 0 HB THR A 54 2.576 -7.235 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.890 -8.604 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.156 -8.650 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.903 -7.126 -2.518 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.395 -7.322 -0.823 1.00 0.00 H new ATOM 815 N VAL A 55 4.714 -4.167 -2.515 1.00 0.00 N ATOM 816 CA VAL A 55 5.732 -3.434 -3.265 1.00 0.00 C ATOM 817 C VAL A 55 7.089 -4.014 -2.881 1.00 0.00 C ATOM 818 O VAL A 55 7.344 -4.203 -1.690 1.00 0.00 O ATOM 819 CB VAL A 55 5.664 -1.927 -2.956 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.862 -1.168 -3.554 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.370 -1.311 -3.500 1.00 0.00 C ATOM 0 H VAL A 55 4.926 -4.215 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 55 5.566 -3.541 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 55 5.689 -1.831 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.778 -0.108 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.788 -1.562 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.870 -1.296 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.348 -0.246 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.328 -1.448 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.512 -1.801 -3.039 1.00 0.00 H new ATOM 831 N THR A 56 7.950 -4.275 -3.861 1.00 0.00 N ATOM 832 CA THR A 56 9.291 -4.807 -3.684 1.00 0.00 C ATOM 833 C THR A 56 10.253 -3.881 -4.436 1.00 0.00 C ATOM 834 O THR A 56 10.087 -3.704 -5.646 1.00 0.00 O ATOM 835 CB THR A 56 9.322 -6.272 -4.163 1.00 0.00 C ATOM 836 OG1 THR A 56 8.688 -6.441 -5.414 1.00 0.00 O ATOM 837 CG2 THR A 56 8.583 -7.182 -3.183 1.00 0.00 C ATOM 0 H THR A 56 7.719 -4.113 -4.841 1.00 0.00 H new ATOM 0 HA THR A 56 9.602 -4.830 -2.640 1.00 0.00 H new ATOM 0 HB THR A 56 10.378 -6.533 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.855 -5.654 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.619 -8.210 -3.543 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.058 -7.124 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.544 -6.862 -3.102 1.00 0.00 H new ATOM 845 N GLU A 57 11.198 -3.243 -3.740 1.00 0.00 N ATOM 846 CA GLU A 57 12.172 -2.352 -4.379 1.00 0.00 C ATOM 847 C GLU A 57 13.083 -3.142 -5.303 1.00 0.00 C ATOM 848 O GLU A 57 13.483 -2.632 -6.372 1.00 0.00 O ATOM 849 CB GLU A 57 13.011 -1.629 -3.319 1.00 0.00 C ATOM 850 CG GLU A 57 13.840 -0.509 -3.977 1.00 0.00 C ATOM 851 CD GLU A 57 14.379 0.528 -2.991 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.642 0.904 -2.049 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.552 0.944 -3.149 1.00 0.00 O ATOM 0 H GLU A 57 11.310 -3.327 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 57 11.627 -1.612 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.360 -1.208 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.673 -2.338 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.678 -0.957 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.223 -0.003 -4.719 1.00 0.00 H new