USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.69 (180deg=1.69) USER MOD Single : A 3 THR OG1 : rot 42:sc= 1.1 USER MOD Single : A 4 TYR OH : rot 110:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.599 K(o=0.6,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -25:sc= 0.631 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -30:sc= 0.798 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0.191) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0.533 (180deg=0.314) USER MOD Single : A 33 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.84) 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= -1.33 K(o=-1.3,f=0.34) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -167:sc= 1.23 USER MOD Single : A 50 THR OG1 : rot 150: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 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.389 1.348 2.468 1.00 0.00 N ATOM 2 CA MET A 1 -16.234 0.306 1.440 1.00 0.00 C ATOM 3 C MET A 1 -15.731 -0.978 2.077 1.00 0.00 C ATOM 4 O MET A 1 -16.520 -1.910 2.262 1.00 0.00 O ATOM 5 CB MET A 1 -15.359 0.783 0.269 1.00 0.00 C ATOM 6 CG MET A 1 -14.974 -0.315 -0.730 1.00 0.00 C ATOM 7 SD MET A 1 -16.365 -1.165 -1.520 1.00 0.00 S ATOM 8 CE MET A 1 -16.835 0.112 -2.725 1.00 0.00 C ATOM 0 H1 MET A 1 -16.750 2.219 2.028 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.060 1.023 3.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.467 1.540 2.910 1.00 0.00 H new ATOM 0 HA MET A 1 -17.210 0.094 1.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.889 1.572 -0.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.448 1.226 0.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.350 0.126 -1.507 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.363 -1.055 -0.213 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.686 -0.236 -3.311 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.107 1.027 -2.198 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.994 0.312 -3.389 1.00 0.00 H new ATOM 18 N GLY A 2 -14.439 -1.073 2.388 1.00 0.00 N ATOM 19 CA GLY A 2 -13.857 -2.253 2.990 1.00 0.00 C ATOM 20 C GLY A 2 -12.461 -1.924 3.493 1.00 0.00 C ATOM 21 O GLY A 2 -12.082 -0.748 3.557 1.00 0.00 O ATOM 0 H GLY A 2 -13.768 -0.322 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.480 -2.600 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.812 -3.062 2.261 1.00 0.00 H new ATOM 25 N THR A 3 -11.704 -2.959 3.842 1.00 0.00 N ATOM 26 CA THR A 3 -10.347 -2.831 4.332 1.00 0.00 C ATOM 27 C THR A 3 -9.368 -3.293 3.253 1.00 0.00 C ATOM 28 O THR A 3 -9.665 -4.216 2.494 1.00 0.00 O ATOM 29 CB THR A 3 -10.187 -3.514 5.702 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.868 -3.365 6.176 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.522 -5.007 5.697 1.00 0.00 C ATOM 0 H THR A 3 -12.027 -3.925 3.789 1.00 0.00 H new ATOM 0 HA THR A 3 -10.106 -1.786 4.525 1.00 0.00 H new ATOM 0 HB THR A 3 -10.904 -3.015 6.354 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.556 -2.454 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.384 -5.414 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.558 -5.146 5.388 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.863 -5.525 5.001 1.00 0.00 H new ATOM 39 N TYR A 4 -8.218 -2.620 3.170 1.00 0.00 N ATOM 40 CA TYR A 4 -7.148 -2.872 2.215 1.00 0.00 C ATOM 41 C TYR A 4 -5.833 -2.874 3.007 1.00 0.00 C ATOM 42 O TYR A 4 -5.642 -2.000 3.862 1.00 0.00 O ATOM 43 CB TYR A 4 -7.221 -1.823 1.083 1.00 0.00 C ATOM 44 CG TYR A 4 -8.555 -1.782 0.324 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.694 -2.384 -0.947 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.681 -1.157 0.903 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.945 -2.413 -1.599 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.938 -1.227 0.281 1.00 0.00 C ATOM 49 CZ TYR A 4 -11.084 -1.874 -0.961 1.00 0.00 C ATOM 50 OH TYR A 4 -12.321 -1.965 -1.523 1.00 0.00 O ATOM 0 H TYR A 4 -8.002 -1.848 3.800 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.233 -3.838 1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.031 -0.837 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.420 -2.022 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.833 -2.827 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.574 -0.620 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.031 -2.847 -2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.798 -0.782 0.758 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.871 -2.589 -1.005 1.00 0.00 H new ATOM 60 N LYS A 5 -4.913 -3.811 2.730 1.00 0.00 N ATOM 61 CA LYS A 5 -3.638 -3.921 3.453 1.00 0.00 C ATOM 62 C LYS A 5 -2.499 -3.308 2.626 1.00 0.00 C ATOM 63 O LYS A 5 -2.449 -3.470 1.410 1.00 0.00 O ATOM 64 CB LYS A 5 -3.468 -5.407 3.806 1.00 0.00 C ATOM 65 CG LYS A 5 -2.279 -5.771 4.707 1.00 0.00 C ATOM 66 CD LYS A 5 -2.325 -7.287 4.934 1.00 0.00 C ATOM 67 CE LYS A 5 -1.189 -7.825 5.803 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.152 -9.302 5.744 1.00 0.00 N ATOM 0 H LYS A 5 -5.032 -4.513 1.999 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.621 -3.350 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.381 -5.747 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.375 -5.969 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.339 -5.481 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.339 -5.238 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.277 -7.545 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.297 -7.789 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.237 -7.417 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.325 -7.499 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.375 -9.654 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.054 -9.686 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.000 -9.606 4.761 1.00 0.00 H new ATOM 82 N LEU A 6 -1.622 -2.523 3.253 1.00 0.00 N ATOM 83 CA LEU A 6 -0.486 -1.844 2.615 1.00 0.00 C ATOM 84 C LEU A 6 0.849 -2.250 3.236 1.00 0.00 C ATOM 85 O LEU A 6 1.141 -1.868 4.360 1.00 0.00 O ATOM 86 CB LEU A 6 -0.683 -0.320 2.712 1.00 0.00 C ATOM 87 CG LEU A 6 -1.802 0.206 1.798 1.00 0.00 C ATOM 88 CD1 LEU A 6 -2.345 1.544 2.312 1.00 0.00 C ATOM 89 CD2 LEU A 6 -1.277 0.362 0.369 1.00 0.00 C ATOM 0 H LEU A 6 -1.682 -2.334 4.253 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.455 -2.147 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.911 -0.055 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.252 0.178 2.454 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.619 -0.516 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.135 1.895 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.747 1.412 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.540 2.278 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.075 0.735 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.446 1.067 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.936 -0.605 -0.001 1.00 0.00 H new ATOM 101 N ILE A 7 1.669 -3.013 2.525 1.00 0.00 N ATOM 102 CA ILE A 7 2.997 -3.511 2.911 1.00 0.00 C ATOM 103 C ILE A 7 4.053 -3.078 1.878 1.00 0.00 C ATOM 104 O ILE A 7 3.805 -3.155 0.673 1.00 0.00 O ATOM 105 CB ILE A 7 2.905 -5.030 3.204 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.279 -5.627 3.561 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.229 -5.834 2.078 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.175 -6.917 4.384 1.00 0.00 C ATOM 0 H ILE A 7 1.409 -3.328 1.590 1.00 0.00 H new ATOM 0 HA ILE A 7 3.343 -3.061 3.842 1.00 0.00 H new ATOM 0 HB ILE A 7 2.256 -5.119 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.830 -5.831 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.855 -4.890 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.199 -6.889 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.213 -5.469 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.796 -5.714 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.175 -7.290 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.650 -6.712 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.625 -7.668 3.816 1.00 0.00 H new ATOM 120 N LEU A 8 5.183 -2.531 2.349 1.00 0.00 N ATOM 121 CA LEU A 8 6.315 -2.028 1.561 1.00 0.00 C ATOM 122 C LEU A 8 7.611 -2.784 1.878 1.00 0.00 C ATOM 123 O LEU A 8 7.831 -3.145 3.041 1.00 0.00 O ATOM 124 CB LEU A 8 6.517 -0.516 1.778 1.00 0.00 C ATOM 125 CG LEU A 8 5.361 0.446 1.421 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.743 0.182 0.039 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.248 0.490 2.469 1.00 0.00 C ATOM 0 H LEU A 8 5.339 -2.422 3.351 1.00 0.00 H new ATOM 0 HA LEU A 8 6.072 -2.201 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.762 -0.363 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.390 -0.213 1.200 1.00 0.00 H new ATOM 0 HG LEU A 8 5.848 1.421 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.939 0.895 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.508 0.295 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.343 -0.832 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.473 1.186 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.817 -0.505 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.659 0.819 3.423 1.00 0.00 H new ATOM 139 N ASN A 9 8.435 -3.066 0.860 1.00 0.00 N ATOM 140 CA ASN A 9 9.717 -3.767 0.969 1.00 0.00 C ATOM 141 C ASN A 9 10.824 -2.933 0.319 1.00 0.00 C ATOM 142 O ASN A 9 10.879 -2.844 -0.911 1.00 0.00 O ATOM 143 CB ASN A 9 9.666 -5.146 0.298 1.00 0.00 C ATOM 144 CG ASN A 9 8.547 -6.033 0.798 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.644 -6.658 1.853 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.460 -6.102 0.052 1.00 0.00 N ATOM 0 H ASN A 9 8.216 -2.800 -0.100 1.00 0.00 H new ATOM 0 HA ASN A 9 9.927 -3.908 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.556 -5.011 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.617 -5.653 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.675 -6.684 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.405 -5.574 -0.819 1.00 0.00 H new ATOM 153 N GLY A 10 11.706 -2.339 1.124 1.00 0.00 N ATOM 154 CA GLY A 10 12.824 -1.514 0.680 1.00 0.00 C ATOM 155 C GLY A 10 14.170 -2.186 0.954 1.00 0.00 C ATOM 156 O GLY A 10 14.239 -3.331 1.414 1.00 0.00 O ATOM 0 H GLY A 10 11.657 -2.424 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.728 -1.315 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.789 -0.550 1.188 1.00 0.00 H new ATOM 160 N LYS A 11 15.268 -1.474 0.675 1.00 0.00 N ATOM 161 CA LYS A 11 16.612 -2.019 0.890 1.00 0.00 C ATOM 162 C LYS A 11 16.916 -2.130 2.384 1.00 0.00 C ATOM 163 O LYS A 11 17.424 -3.152 2.844 1.00 0.00 O ATOM 164 CB LYS A 11 17.631 -1.121 0.159 1.00 0.00 C ATOM 165 CG LYS A 11 19.064 -1.672 0.226 1.00 0.00 C ATOM 166 CD LYS A 11 20.024 -0.878 -0.671 1.00 0.00 C ATOM 167 CE LYS A 11 21.435 -1.485 -0.695 1.00 0.00 C ATOM 168 NZ LYS A 11 22.165 -1.318 0.584 1.00 0.00 N ATOM 0 H LYS A 11 15.252 -0.525 0.302 1.00 0.00 H new ATOM 0 HA LYS A 11 16.677 -3.028 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.335 -1.018 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.609 -0.123 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.418 -1.639 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.065 -2.719 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.627 -0.846 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.080 0.152 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.362 -2.547 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.009 -1.021 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.109 -1.748 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.263 -0.305 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.636 -1.784 1.349 1.00 0.00 H new ATOM 182 N THR A 12 16.699 -1.059 3.144 1.00 0.00 N ATOM 183 CA THR A 12 16.912 -1.005 4.584 1.00 0.00 C ATOM 184 C THR A 12 15.656 -0.584 5.362 1.00 0.00 C ATOM 185 O THR A 12 15.747 -0.418 6.582 1.00 0.00 O ATOM 186 CB THR A 12 18.210 -0.235 4.879 1.00 0.00 C ATOM 187 OG1 THR A 12 18.516 -0.237 6.259 1.00 0.00 O ATOM 188 CG2 THR A 12 18.252 1.200 4.359 1.00 0.00 C ATOM 0 H THR A 12 16.359 -0.177 2.760 1.00 0.00 H new ATOM 0 HA THR A 12 17.075 -2.008 4.979 1.00 0.00 H new ATOM 0 HB THR A 12 18.966 -0.786 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.693 -0.360 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.208 1.653 4.619 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.134 1.198 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.443 1.775 4.811 1.00 0.00 H new ATOM 196 N LEU A 13 14.510 -0.378 4.702 1.00 0.00 N ATOM 197 CA LEU A 13 13.260 0.042 5.334 1.00 0.00 C ATOM 198 C LEU A 13 12.118 -0.878 4.938 1.00 0.00 C ATOM 199 O LEU A 13 12.066 -1.358 3.805 1.00 0.00 O ATOM 200 CB LEU A 13 12.902 1.474 4.895 1.00 0.00 C ATOM 201 CG LEU A 13 13.826 2.572 5.445 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.464 3.909 4.797 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.704 2.711 6.964 1.00 0.00 C ATOM 0 H LEU A 13 14.427 -0.502 3.693 1.00 0.00 H new ATOM 0 HA LEU A 13 13.403 0.001 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.918 1.519 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.880 1.689 5.208 1.00 0.00 H new ATOM 0 HG LEU A 13 14.853 2.292 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.118 4.690 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.588 3.835 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.428 4.156 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.373 3.498 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.677 2.967 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.975 1.768 7.439 1.00 0.00 H new ATOM 215 N LYS A 14 11.198 -1.110 5.871 1.00 0.00 N ATOM 216 CA LYS A 14 10.006 -1.937 5.710 1.00 0.00 C ATOM 217 C LYS A 14 8.849 -1.295 6.465 1.00 0.00 C ATOM 218 O LYS A 14 9.046 -0.399 7.288 1.00 0.00 O ATOM 219 CB LYS A 14 10.264 -3.365 6.226 1.00 0.00 C ATOM 220 CG LYS A 14 10.875 -4.271 5.148 1.00 0.00 C ATOM 221 CD LYS A 14 10.817 -5.739 5.587 1.00 0.00 C ATOM 222 CE LYS A 14 11.059 -6.665 4.390 1.00 0.00 C ATOM 223 NZ LYS A 14 10.684 -8.062 4.686 1.00 0.00 N ATOM 0 H LYS A 14 11.267 -0.706 6.805 1.00 0.00 H new ATOM 0 HA LYS A 14 9.753 -2.005 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.934 -3.323 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.326 -3.799 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.336 -4.144 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.909 -3.981 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.567 -5.925 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.845 -5.954 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.485 -6.309 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.111 -6.624 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.864 -8.654 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.250 -8.411 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.674 -8.106 4.931 1.00 0.00 H new ATOM 237 N GLY A 15 7.632 -1.744 6.195 1.00 0.00 N ATOM 238 CA GLY A 15 6.421 -1.273 6.842 1.00 0.00 C ATOM 239 C GLY A 15 5.269 -2.143 6.381 1.00 0.00 C ATOM 240 O GLY A 15 5.368 -2.793 5.334 1.00 0.00 O ATOM 0 H GLY A 15 7.457 -2.468 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.525 -1.323 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.235 -0.230 6.587 1.00 0.00 H new ATOM 244 N GLU A 16 4.205 -2.199 7.172 1.00 0.00 N ATOM 245 CA GLU A 16 3.011 -2.971 6.882 1.00 0.00 C ATOM 246 C GLU A 16 1.864 -2.411 7.710 1.00 0.00 C ATOM 247 O GLU A 16 1.984 -2.260 8.927 1.00 0.00 O ATOM 248 CB GLU A 16 3.224 -4.476 7.119 1.00 0.00 C ATOM 249 CG GLU A 16 3.633 -4.896 8.537 1.00 0.00 C ATOM 250 CD GLU A 16 3.776 -6.411 8.611 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.894 -6.932 8.408 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.748 -7.097 8.845 1.00 0.00 O ATOM 0 H GLU A 16 4.151 -1.694 8.056 1.00 0.00 H new ATOM 0 HA GLU A 16 2.767 -2.879 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.301 -4.995 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.989 -4.825 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.575 -4.420 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.886 -4.557 9.255 1.00 0.00 H new ATOM 259 N THR A 17 0.749 -2.091 7.066 1.00 0.00 N ATOM 260 CA THR A 17 -0.413 -1.553 7.755 1.00 0.00 C ATOM 261 C THR A 17 -1.671 -2.021 7.034 1.00 0.00 C ATOM 262 O THR A 17 -1.623 -2.797 6.074 1.00 0.00 O ATOM 263 CB THR A 17 -0.302 -0.011 7.857 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.198 0.502 8.826 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.602 0.686 6.527 1.00 0.00 C ATOM 0 H THR A 17 0.626 -2.197 6.059 1.00 0.00 H new ATOM 0 HA THR A 17 -0.465 -1.923 8.779 1.00 0.00 H new ATOM 0 HB THR A 17 0.730 0.193 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.107 1.477 8.872 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.511 1.765 6.653 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.106 0.347 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.616 0.443 6.209 1.00 0.00 H new ATOM 273 N THR A 18 -2.808 -1.575 7.540 1.00 0.00 N ATOM 274 CA THR A 18 -4.121 -1.847 7.012 1.00 0.00 C ATOM 275 C THR A 18 -4.842 -0.499 6.994 1.00 0.00 C ATOM 276 O THR A 18 -4.412 0.466 7.645 1.00 0.00 O ATOM 277 CB THR A 18 -4.768 -3.003 7.801 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.417 -3.888 6.917 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.739 -2.569 8.900 1.00 0.00 C ATOM 0 H THR A 18 -2.835 -0.985 8.371 1.00 0.00 H new ATOM 0 HA THR A 18 -4.144 -2.225 5.990 1.00 0.00 H new ATOM 0 HB THR A 18 -3.943 -3.498 8.314 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.823 -4.620 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.142 -3.451 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.213 -1.950 9.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.555 -1.996 8.459 1.00 0.00 H new ATOM 287 N THR A 19 -5.915 -0.414 6.223 1.00 0.00 N ATOM 288 CA THR A 19 -6.714 0.786 6.072 1.00 0.00 C ATOM 289 C THR A 19 -8.171 0.390 5.914 1.00 0.00 C ATOM 290 O THR A 19 -8.459 -0.717 5.457 1.00 0.00 O ATOM 291 CB THR A 19 -6.273 1.540 4.798 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.233 0.696 3.655 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.907 2.203 4.888 1.00 0.00 C ATOM 0 H THR A 19 -6.261 -1.200 5.672 1.00 0.00 H new ATOM 0 HA THR A 19 -6.583 1.423 6.947 1.00 0.00 H new ATOM 0 HB THR A 19 -7.038 2.311 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.022 -0.220 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.684 2.707 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.909 2.932 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.147 1.446 5.083 1.00 0.00 H new ATOM 301 N GLU A 20 -9.076 1.276 6.302 1.00 0.00 N ATOM 302 CA GLU A 20 -10.520 1.174 6.197 1.00 0.00 C ATOM 303 C GLU A 20 -10.878 2.504 5.535 1.00 0.00 C ATOM 304 O GLU A 20 -10.532 3.550 6.099 1.00 0.00 O ATOM 305 CB GLU A 20 -11.170 0.974 7.573 1.00 0.00 C ATOM 306 CG GLU A 20 -12.702 1.043 7.471 1.00 0.00 C ATOM 307 CD GLU A 20 -13.396 0.805 8.812 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.961 1.368 9.839 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.406 0.065 8.835 1.00 0.00 O ATOM 0 H GLU A 20 -8.794 2.156 6.733 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.877 0.315 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.872 0.009 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.813 1.738 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.992 2.020 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.048 0.301 6.751 1.00 0.00 H new ATOM 316 N ALA A 21 -11.506 2.494 4.357 1.00 0.00 N ATOM 317 CA ALA A 21 -11.866 3.721 3.653 1.00 0.00 C ATOM 318 C ALA A 21 -13.313 3.681 3.164 1.00 0.00 C ATOM 319 O ALA A 21 -13.883 2.609 2.936 1.00 0.00 O ATOM 320 CB ALA A 21 -10.885 3.950 2.497 1.00 0.00 C ATOM 0 H ALA A 21 -11.777 1.640 3.869 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.795 4.560 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.152 4.866 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.873 4.040 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.932 3.107 1.807 1.00 0.00 H new ATOM 326 N VAL A 22 -13.886 4.871 2.971 1.00 0.00 N ATOM 327 CA VAL A 22 -15.254 5.063 2.503 1.00 0.00 C ATOM 328 C VAL A 22 -15.444 4.428 1.126 1.00 0.00 C ATOM 329 O VAL A 22 -16.404 3.687 0.918 1.00 0.00 O ATOM 330 CB VAL A 22 -15.629 6.566 2.491 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.753 7.101 3.921 1.00 0.00 C ATOM 332 CG2 VAL A 22 -14.644 7.480 1.734 1.00 0.00 C ATOM 0 H VAL A 22 -13.395 5.749 3.141 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.929 4.563 3.198 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.578 6.600 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.017 8.158 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.529 6.548 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.802 6.978 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.994 8.511 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.657 7.409 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.584 7.166 0.692 1.00 0.00 H new ATOM 342 N ASP A 23 -14.507 4.651 0.208 1.00 0.00 N ATOM 343 CA ASP A 23 -14.529 4.148 -1.157 1.00 0.00 C ATOM 344 C ASP A 23 -13.096 3.929 -1.639 1.00 0.00 C ATOM 345 O ASP A 23 -12.145 4.463 -1.055 1.00 0.00 O ATOM 346 CB ASP A 23 -15.276 5.160 -2.026 1.00 0.00 C ATOM 347 CG ASP A 23 -15.122 4.834 -3.504 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.517 5.671 -4.208 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.499 3.708 -3.894 1.00 0.00 O ATOM 0 H ASP A 23 -13.678 5.211 0.406 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.044 3.189 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.333 5.162 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.896 6.163 -1.830 1.00 0.00 H new ATOM 354 N ALA A 24 -12.920 3.108 -2.675 1.00 0.00 N ATOM 355 CA ALA A 24 -11.616 2.797 -3.231 1.00 0.00 C ATOM 356 C ALA A 24 -10.948 4.014 -3.880 1.00 0.00 C ATOM 357 O ALA A 24 -9.720 4.062 -3.921 1.00 0.00 O ATOM 358 CB ALA A 24 -11.727 1.607 -4.178 1.00 0.00 C ATOM 0 H ALA A 24 -13.690 2.639 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.954 2.515 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.745 1.379 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.101 0.741 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.415 1.850 -4.988 1.00 0.00 H new ATOM 364 N ALA A 25 -11.689 5.038 -4.330 1.00 0.00 N ATOM 365 CA ALA A 25 -11.059 6.215 -4.929 1.00 0.00 C ATOM 366 C ALA A 25 -10.173 6.922 -3.894 1.00 0.00 C ATOM 367 O ALA A 25 -9.163 7.525 -4.254 1.00 0.00 O ATOM 368 CB ALA A 25 -12.112 7.191 -5.458 1.00 0.00 C ATOM 0 H ALA A 25 -12.708 5.072 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.445 5.882 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.617 8.057 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.719 6.696 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.751 7.517 -4.637 1.00 0.00 H new ATOM 374 N THR A 26 -10.561 6.884 -2.616 1.00 0.00 N ATOM 375 CA THR A 26 -9.823 7.492 -1.513 1.00 0.00 C ATOM 376 C THR A 26 -8.569 6.661 -1.215 1.00 0.00 C ATOM 377 O THR A 26 -7.509 7.215 -0.905 1.00 0.00 O ATOM 378 CB THR A 26 -10.771 7.551 -0.304 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.934 8.270 -0.671 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.170 8.217 0.934 1.00 0.00 C ATOM 0 H THR A 26 -11.417 6.418 -2.316 1.00 0.00 H new ATOM 0 HA THR A 26 -9.489 8.500 -1.760 1.00 0.00 H new ATOM 0 HB THR A 26 -10.986 6.517 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.547 8.312 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.904 8.217 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.284 7.666 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.892 9.244 0.696 1.00 0.00 H new ATOM 388 N ALA A 27 -8.698 5.336 -1.307 1.00 0.00 N ATOM 389 CA ALA A 27 -7.625 4.392 -1.067 1.00 0.00 C ATOM 390 C ALA A 27 -6.546 4.536 -2.145 1.00 0.00 C ATOM 391 O ALA A 27 -5.368 4.684 -1.831 1.00 0.00 O ATOM 392 CB ALA A 27 -8.220 2.986 -1.044 1.00 0.00 C ATOM 0 H ALA A 27 -9.579 4.886 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.147 4.589 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.428 2.259 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.962 2.918 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.695 2.776 -2.002 1.00 0.00 H new ATOM 398 N GLU A 28 -6.951 4.627 -3.414 1.00 0.00 N ATOM 399 CA GLU A 28 -6.057 4.757 -4.564 1.00 0.00 C ATOM 400 C GLU A 28 -5.091 5.942 -4.385 1.00 0.00 C ATOM 401 O GLU A 28 -3.946 5.902 -4.850 1.00 0.00 O ATOM 402 CB GLU A 28 -6.931 4.865 -5.825 1.00 0.00 C ATOM 403 CG GLU A 28 -6.173 4.518 -7.109 1.00 0.00 C ATOM 404 CD GLU A 28 -7.106 4.495 -8.326 1.00 0.00 C ATOM 405 OE1 GLU A 28 -8.110 3.741 -8.339 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.821 5.227 -9.304 1.00 0.00 O ATOM 0 H GLU A 28 -7.937 4.612 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.414 3.882 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.788 4.199 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.322 5.879 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.379 5.247 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.694 3.545 -6.998 1.00 0.00 H new ATOM 413 N LYS A 29 -5.575 7.013 -3.746 1.00 0.00 N ATOM 414 CA LYS A 29 -4.815 8.216 -3.435 1.00 0.00 C ATOM 415 C LYS A 29 -3.894 7.955 -2.236 1.00 0.00 C ATOM 416 O LYS A 29 -2.688 8.179 -2.343 1.00 0.00 O ATOM 417 CB LYS A 29 -5.765 9.399 -3.176 1.00 0.00 C ATOM 418 CG LYS A 29 -6.603 9.755 -4.418 1.00 0.00 C ATOM 419 CD LYS A 29 -7.654 10.822 -4.084 1.00 0.00 C ATOM 420 CE LYS A 29 -8.596 11.103 -5.257 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.600 10.034 -5.422 1.00 0.00 N ATOM 0 H LYS A 29 -6.541 7.062 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.190 8.480 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.431 9.154 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.184 10.269 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.949 10.119 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.096 8.860 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.238 10.496 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.151 11.745 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.102 12.055 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.015 11.201 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.702 9.806 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.292 9.186 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.515 10.356 -5.046 1.00 0.00 H new ATOM 435 N VAL A 30 -4.431 7.452 -1.109 1.00 0.00 N ATOM 436 CA VAL A 30 -3.634 7.190 0.096 1.00 0.00 C ATOM 437 C VAL A 30 -2.446 6.281 -0.175 1.00 0.00 C ATOM 438 O VAL A 30 -1.401 6.507 0.420 1.00 0.00 O ATOM 439 CB VAL A 30 -4.454 6.737 1.332 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.719 5.230 1.455 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.735 7.146 2.629 1.00 0.00 C ATOM 0 H VAL A 30 -5.419 7.219 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.236 8.166 0.373 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.414 7.231 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.300 5.035 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.276 4.886 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.770 4.697 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.322 6.822 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.752 6.677 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.621 8.230 2.656 1.00 0.00 H new ATOM 451 N PHE A 31 -2.531 5.321 -1.101 1.00 0.00 N ATOM 452 CA PHE A 31 -1.419 4.411 -1.373 1.00 0.00 C ATOM 453 C PHE A 31 -0.139 5.175 -1.725 1.00 0.00 C ATOM 454 O PHE A 31 0.944 4.821 -1.257 1.00 0.00 O ATOM 455 CB PHE A 31 -1.791 3.500 -2.556 1.00 0.00 C ATOM 456 CG PHE A 31 -3.050 2.660 -2.435 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.607 2.329 -1.183 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.677 2.209 -3.610 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.787 1.572 -1.107 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.866 1.464 -3.534 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.427 1.156 -2.286 1.00 0.00 C ATOM 0 H PHE A 31 -3.359 5.156 -1.674 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.235 3.825 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.890 4.126 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.954 2.825 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.123 2.660 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.244 2.436 -4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.201 1.310 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.349 1.128 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.351 0.599 -2.232 1.00 0.00 H new ATOM 471 N LYS A 32 -0.269 6.238 -2.520 1.00 0.00 N ATOM 472 CA LYS A 32 0.844 7.065 -2.963 1.00 0.00 C ATOM 473 C LYS A 32 1.415 7.912 -1.830 1.00 0.00 C ATOM 474 O LYS A 32 2.618 8.156 -1.819 1.00 0.00 O ATOM 475 CB LYS A 32 0.383 7.955 -4.126 1.00 0.00 C ATOM 476 CG LYS A 32 -0.206 7.134 -5.281 1.00 0.00 C ATOM 477 CD LYS A 32 -0.642 8.036 -6.434 1.00 0.00 C ATOM 478 CE LYS A 32 -1.236 7.199 -7.566 1.00 0.00 C ATOM 479 NZ LYS A 32 -2.598 6.712 -7.262 1.00 0.00 N ATOM 0 H LYS A 32 -1.171 6.551 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 32 1.646 6.407 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.364 8.663 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.227 8.540 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.535 6.418 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.060 6.558 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.378 8.758 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.212 8.605 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.263 7.796 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.585 6.347 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.758 5.805 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.698 6.580 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.297 7.408 -7.591 1.00 0.00 H new ATOM 493 N GLN A 33 0.581 8.385 -0.902 1.00 0.00 N ATOM 494 CA GLN A 33 1.036 9.198 0.222 1.00 0.00 C ATOM 495 C GLN A 33 1.657 8.306 1.295 1.00 0.00 C ATOM 496 O GLN A 33 2.794 8.527 1.708 1.00 0.00 O ATOM 497 CB GLN A 33 -0.173 9.964 0.801 1.00 0.00 C ATOM 498 CG GLN A 33 0.105 10.703 2.131 1.00 0.00 C ATOM 499 CD GLN A 33 -0.217 9.850 3.365 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.658 9.312 4.035 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.490 9.648 3.661 1.00 0.00 N ATOM 0 H GLN A 33 -0.425 8.215 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 33 1.792 9.907 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.513 10.690 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.991 9.260 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.153 11.000 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.487 11.618 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.220 10.094 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.742 9.046 4.445 1.00 0.00 H new ATOM 510 N TYR A 34 0.923 7.266 1.684 1.00 0.00 N ATOM 511 CA TYR A 34 1.282 6.316 2.711 1.00 0.00 C ATOM 512 C TYR A 34 2.639 5.675 2.482 1.00 0.00 C ATOM 513 O TYR A 34 3.510 5.743 3.351 1.00 0.00 O ATOM 514 CB TYR A 34 0.191 5.235 2.802 1.00 0.00 C ATOM 515 CG TYR A 34 0.603 4.136 3.749 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.012 2.884 3.259 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.747 4.449 5.108 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.634 1.972 4.127 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.427 3.566 5.966 1.00 0.00 C ATOM 520 CZ TYR A 34 1.902 2.333 5.463 1.00 0.00 C ATOM 521 OH TYR A 34 2.586 1.467 6.255 1.00 0.00 O ATOM 0 H TYR A 34 0.016 7.061 1.264 1.00 0.00 H new ATOM 0 HA TYR A 34 1.357 6.863 3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.743 5.682 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.003 4.817 1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.849 2.625 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.335 5.369 5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.908 0.990 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.585 3.828 7.002 1.00 0.00 H new ATOM 0 HH TYR A 34 2.694 1.856 7.148 1.00 0.00 H new ATOM 531 N ALA A 35 2.822 5.071 1.309 1.00 0.00 N ATOM 532 CA ALA A 35 4.064 4.398 0.991 1.00 0.00 C ATOM 533 C ALA A 35 5.227 5.365 0.827 1.00 0.00 C ATOM 534 O ALA A 35 6.343 5.025 1.197 1.00 0.00 O ATOM 535 CB ALA A 35 3.858 3.585 -0.272 1.00 0.00 C ATOM 0 H ALA A 35 2.122 5.038 0.568 1.00 0.00 H new ATOM 0 HA ALA A 35 4.329 3.747 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.784 3.070 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.068 2.852 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.574 4.248 -1.089 1.00 0.00 H new ATOM 541 N ASN A 36 4.981 6.566 0.300 1.00 0.00 N ATOM 542 CA ASN A 36 6.030 7.561 0.107 1.00 0.00 C ATOM 543 C ASN A 36 6.735 7.896 1.427 1.00 0.00 C ATOM 544 O ASN A 36 7.929 8.171 1.416 1.00 0.00 O ATOM 545 CB ASN A 36 5.442 8.798 -0.574 1.00 0.00 C ATOM 546 CG ASN A 36 6.353 10.003 -0.440 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.041 10.922 0.319 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.445 10.039 -1.174 1.00 0.00 N ATOM 0 H ASN A 36 4.056 6.872 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 36 6.799 7.149 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.273 8.586 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.471 9.027 -0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.066 10.847 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.671 9.259 -1.791 1.00 0.00 H new ATOM 555 N ASP A 37 6.038 7.825 2.568 1.00 0.00 N ATOM 556 CA ASP A 37 6.645 8.107 3.877 1.00 0.00 C ATOM 557 C ASP A 37 7.708 7.060 4.229 1.00 0.00 C ATOM 558 O ASP A 37 8.617 7.316 5.011 1.00 0.00 O ATOM 559 CB ASP A 37 5.573 8.081 4.965 1.00 0.00 C ATOM 560 CG ASP A 37 6.106 8.638 6.282 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.131 9.883 6.415 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.402 7.864 7.219 1.00 0.00 O ATOM 0 H ASP A 37 5.050 7.574 2.612 1.00 0.00 H new ATOM 0 HA ASP A 37 7.110 9.091 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.711 8.665 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.227 7.058 5.114 1.00 0.00 H new ATOM 567 N ASN A 38 7.559 5.861 3.662 1.00 0.00 N ATOM 568 CA ASN A 38 8.434 4.705 3.815 1.00 0.00 C ATOM 569 C ASN A 38 9.610 4.803 2.818 1.00 0.00 C ATOM 570 O ASN A 38 10.450 3.904 2.754 1.00 0.00 O ATOM 571 CB ASN A 38 7.583 3.435 3.613 1.00 0.00 C ATOM 572 CG ASN A 38 8.025 2.203 4.394 1.00 0.00 C ATOM 573 OD1 ASN A 38 9.198 1.860 4.511 1.00 0.00 O ATOM 574 ND2 ASN A 38 7.072 1.470 4.944 1.00 0.00 N ATOM 0 H ASN A 38 6.772 5.663 3.044 1.00 0.00 H new ATOM 0 HA ASN A 38 8.876 4.668 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.553 3.664 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.583 3.187 2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.313 0.625 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.096 1.750 4.850 1.00 0.00 H new ATOM 581 N GLY A 39 9.665 5.871 2.005 1.00 0.00 N ATOM 582 CA GLY A 39 10.703 6.143 1.020 1.00 0.00 C ATOM 583 C GLY A 39 10.708 5.146 -0.130 1.00 0.00 C ATOM 584 O GLY A 39 11.782 4.687 -0.523 1.00 0.00 O ATOM 0 H GLY A 39 8.949 6.597 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.564 7.148 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.676 6.127 1.512 1.00 0.00 H new ATOM 588 N VAL A 40 9.543 4.735 -0.633 1.00 0.00 N ATOM 589 CA VAL A 40 9.478 3.765 -1.724 1.00 0.00 C ATOM 590 C VAL A 40 9.597 4.384 -3.106 1.00 0.00 C ATOM 591 O VAL A 40 9.149 5.513 -3.332 1.00 0.00 O ATOM 592 CB VAL A 40 8.169 2.961 -1.669 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.003 2.314 -0.298 1.00 0.00 C ATOM 594 CG2 VAL A 40 6.911 3.775 -2.010 1.00 0.00 C ATOM 0 H VAL A 40 8.634 5.059 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 40 10.341 3.116 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 40 8.261 2.201 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.072 1.748 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.841 1.643 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.977 3.088 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.033 3.132 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.808 4.599 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.998 4.173 -3.021 1.00 0.00 H new ATOM 604 N ASP A 41 10.303 3.703 -4.000 1.00 0.00 N ATOM 605 CA ASP A 41 10.456 4.087 -5.390 1.00 0.00 C ATOM 606 C ASP A 41 10.369 2.803 -6.213 1.00 0.00 C ATOM 607 O ASP A 41 11.359 2.384 -6.812 1.00 0.00 O ATOM 608 CB ASP A 41 11.697 4.939 -5.648 1.00 0.00 C ATOM 609 CG ASP A 41 11.469 5.645 -6.976 1.00 0.00 C ATOM 610 OD1 ASP A 41 12.094 5.271 -7.989 1.00 0.00 O ATOM 611 OD2 ASP A 41 10.606 6.556 -7.016 1.00 0.00 O ATOM 0 H ASP A 41 10.798 2.843 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 41 9.656 4.760 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.845 5.661 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.592 4.318 -5.687 1.00 0.00 H new ATOM 616 N GLY A 42 9.204 2.150 -6.219 1.00 0.00 N ATOM 617 CA GLY A 42 9.013 0.890 -6.932 1.00 0.00 C ATOM 618 C GLY A 42 7.626 0.690 -7.533 1.00 0.00 C ATOM 619 O GLY A 42 6.791 1.598 -7.555 1.00 0.00 O ATOM 0 H GLY A 42 8.371 2.480 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.751 0.828 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.217 0.068 -6.246 1.00 0.00 H new ATOM 623 N GLU A 43 7.445 -0.509 -8.069 1.00 0.00 N ATOM 624 CA GLU A 43 6.289 -1.076 -8.750 1.00 0.00 C ATOM 625 C GLU A 43 5.282 -1.644 -7.754 1.00 0.00 C ATOM 626 O GLU A 43 5.651 -2.025 -6.643 1.00 0.00 O ATOM 627 CB GLU A 43 6.747 -2.179 -9.721 1.00 0.00 C ATOM 628 CG GLU A 43 7.713 -3.196 -9.086 1.00 0.00 C ATOM 629 CD GLU A 43 7.722 -4.545 -9.802 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.645 -5.175 -9.924 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.814 -5.082 -10.081 1.00 0.00 O ATOM 0 H GLU A 43 8.201 -1.193 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 43 5.797 -0.279 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.871 -2.708 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.233 -1.717 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.721 -2.782 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.437 -3.348 -8.043 1.00 0.00 H new ATOM 638 N TRP A 44 4.000 -1.594 -8.124 1.00 0.00 N ATOM 639 CA TRP A 44 2.889 -2.078 -7.318 1.00 0.00 C ATOM 640 C TRP A 44 2.167 -3.284 -7.904 1.00 0.00 C ATOM 641 O TRP A 44 1.912 -3.338 -9.111 1.00 0.00 O ATOM 642 CB TRP A 44 1.879 -0.941 -7.139 1.00 0.00 C ATOM 643 CG TRP A 44 2.358 0.176 -6.276 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.420 0.968 -6.533 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.877 0.566 -4.959 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.677 1.763 -5.444 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.736 1.582 -4.453 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.820 0.137 -4.133 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.552 2.146 -3.185 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.634 0.685 -2.852 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.496 1.689 -2.378 1.00 0.00 C ATOM 0 H TRP A 44 3.704 -1.204 -9.019 1.00 0.00 H new ATOM 0 HA TRP A 44 3.316 -2.405 -6.370 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.622 -0.542 -8.120 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.963 -1.348 -6.711 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.982 0.975 -7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.465 2.407 -5.376 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.142 -0.625 -4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.214 2.923 -2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.175 0.333 -2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.347 2.109 -1.394 1.00 0.00 H new ATOM 662 N THR A 45 1.692 -4.156 -7.023 1.00 0.00 N ATOM 663 CA THR A 45 0.912 -5.347 -7.330 1.00 0.00 C ATOM 664 C THR A 45 -0.145 -5.462 -6.230 1.00 0.00 C ATOM 665 O THR A 45 0.060 -4.952 -5.120 1.00 0.00 O ATOM 666 CB THR A 45 1.785 -6.603 -7.485 1.00 0.00 C ATOM 667 OG1 THR A 45 2.944 -6.562 -6.675 1.00 0.00 O ATOM 668 CG2 THR A 45 2.227 -6.758 -8.939 1.00 0.00 C ATOM 0 H THR A 45 1.850 -4.044 -6.021 1.00 0.00 H new ATOM 0 HA THR A 45 0.428 -5.260 -8.303 1.00 0.00 H new ATOM 0 HB THR A 45 1.172 -7.447 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.465 -7.382 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.845 -7.650 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.349 -6.851 -9.578 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.803 -5.883 -9.239 1.00 0.00 H new ATOM 676 N TYR A 46 -1.273 -6.115 -6.523 1.00 0.00 N ATOM 677 CA TYR A 46 -2.374 -6.277 -5.583 1.00 0.00 C ATOM 678 C TYR A 46 -2.917 -7.697 -5.596 1.00 0.00 C ATOM 679 O TYR A 46 -3.092 -8.289 -6.663 1.00 0.00 O ATOM 680 CB TYR A 46 -3.488 -5.293 -5.949 1.00 0.00 C ATOM 681 CG TYR A 46 -4.794 -5.521 -5.212 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.921 -5.093 -3.882 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.875 -6.166 -5.848 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.146 -5.232 -3.218 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.101 -6.328 -5.177 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.242 -5.835 -3.864 1.00 0.00 C ATOM 687 OH TYR A 46 -8.452 -5.803 -3.247 1.00 0.00 O ATOM 0 H TYR A 46 -1.444 -6.549 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.004 -6.074 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.142 -4.280 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.674 -5.357 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.075 -4.657 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.761 -6.538 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.251 -4.875 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.927 -6.826 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.064 -6.424 -3.694 1.00 0.00 H new ATOM 697 N ASP A 47 -3.188 -8.214 -4.398 1.00 0.00 N ATOM 698 CA ASP A 47 -3.731 -9.535 -4.141 1.00 0.00 C ATOM 699 C ASP A 47 -4.958 -9.366 -3.235 1.00 0.00 C ATOM 700 O ASP A 47 -4.865 -9.015 -2.050 1.00 0.00 O ATOM 701 CB ASP A 47 -2.645 -10.457 -3.589 1.00 0.00 C ATOM 702 CG ASP A 47 -3.188 -11.867 -3.426 1.00 0.00 C ATOM 703 OD1 ASP A 47 -4.009 -12.086 -2.514 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.752 -12.781 -4.162 1.00 0.00 O ATOM 0 H ASP A 47 -3.024 -7.689 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.067 -10.026 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.788 -10.465 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.293 -10.082 -2.628 1.00 0.00 H new ATOM 709 N ASP A 48 -6.132 -9.585 -3.824 1.00 0.00 N ATOM 710 CA ASP A 48 -7.455 -9.464 -3.213 1.00 0.00 C ATOM 711 C ASP A 48 -7.735 -10.398 -2.027 1.00 0.00 C ATOM 712 O ASP A 48 -8.708 -10.161 -1.309 1.00 0.00 O ATOM 713 CB ASP A 48 -8.524 -9.639 -4.304 1.00 0.00 C ATOM 714 CG ASP A 48 -9.874 -9.040 -3.905 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.915 -9.734 -3.987 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.932 -7.832 -3.598 1.00 0.00 O ATOM 0 H ASP A 48 -6.189 -9.870 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.489 -8.467 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.179 -9.168 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.650 -10.700 -4.517 1.00 0.00 H new ATOM 721 N ALA A 49 -6.886 -11.402 -1.745 1.00 0.00 N ATOM 722 CA ALA A 49 -7.117 -12.336 -0.637 1.00 0.00 C ATOM 723 C ALA A 49 -7.254 -11.615 0.703 1.00 0.00 C ATOM 724 O ALA A 49 -8.051 -12.030 1.546 1.00 0.00 O ATOM 725 CB ALA A 49 -6.000 -13.376 -0.547 1.00 0.00 C ATOM 0 H ALA A 49 -6.032 -11.585 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.059 -12.841 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.200 -14.053 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.956 -13.944 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.047 -12.873 -0.384 1.00 0.00 H new ATOM 731 N THR A 50 -6.470 -10.559 0.907 1.00 0.00 N ATOM 732 CA THR A 50 -6.461 -9.702 2.097 1.00 0.00 C ATOM 733 C THR A 50 -6.605 -8.224 1.672 1.00 0.00 C ATOM 734 O THR A 50 -6.841 -7.356 2.512 1.00 0.00 O ATOM 735 CB THR A 50 -5.262 -10.037 3.031 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.770 -8.919 3.737 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.047 -10.658 2.332 1.00 0.00 C ATOM 0 H THR A 50 -5.787 -10.260 0.212 1.00 0.00 H new ATOM 0 HA THR A 50 -7.328 -9.905 2.726 1.00 0.00 H new ATOM 0 HB THR A 50 -5.711 -10.767 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.400 -9.211 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.266 -10.855 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.340 -11.593 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.670 -9.968 1.577 1.00 0.00 H new ATOM 745 N LYS A 51 -6.579 -7.939 0.361 1.00 0.00 N ATOM 746 CA LYS A 51 -6.665 -6.668 -0.309 1.00 0.00 C ATOM 747 C LYS A 51 -5.324 -5.993 -0.069 1.00 0.00 C ATOM 748 O LYS A 51 -5.261 -4.804 0.205 1.00 0.00 O ATOM 749 CB LYS A 51 -7.952 -5.903 0.056 1.00 0.00 C ATOM 750 CG LYS A 51 -9.210 -6.734 -0.248 1.00 0.00 C ATOM 751 CD LYS A 51 -10.454 -5.860 -0.445 1.00 0.00 C ATOM 752 CE LYS A 51 -11.609 -6.754 -0.894 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.847 -5.998 -1.177 1.00 0.00 N ATOM 0 H LYS A 51 -6.486 -8.694 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.799 -6.740 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.934 -5.643 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.990 -4.967 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.041 -7.329 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.386 -7.433 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.709 -5.350 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.261 -5.088 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.311 -7.301 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.811 -7.494 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.595 -6.656 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.151 -5.496 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.667 -5.309 -1.935 1.00 0.00 H new ATOM 767 N THR A 52 -4.254 -6.794 -0.114 1.00 0.00 N ATOM 768 CA THR A 52 -2.894 -6.383 0.126 1.00 0.00 C ATOM 769 C THR A 52 -2.209 -5.878 -1.135 1.00 0.00 C ATOM 770 O THR A 52 -2.209 -6.533 -2.181 1.00 0.00 O ATOM 771 CB THR A 52 -2.142 -7.530 0.837 1.00 0.00 C ATOM 772 OG1 THR A 52 -0.957 -7.115 1.494 1.00 0.00 O ATOM 773 CG2 THR A 52 -1.787 -8.710 -0.064 1.00 0.00 C ATOM 0 H THR A 52 -4.331 -7.788 -0.329 1.00 0.00 H new ATOM 0 HA THR A 52 -2.886 -5.519 0.791 1.00 0.00 H new ATOM 0 HB THR A 52 -2.874 -7.860 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.533 -7.887 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.262 -9.467 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.699 -9.139 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.146 -8.368 -0.876 1.00 0.00 H new ATOM 781 N PHE A 53 -1.620 -4.699 -1.017 1.00 0.00 N ATOM 782 CA PHE A 53 -0.851 -4.031 -2.044 1.00 0.00 C ATOM 783 C PHE A 53 0.585 -4.247 -1.585 1.00 0.00 C ATOM 784 O PHE A 53 0.866 -4.104 -0.388 1.00 0.00 O ATOM 785 CB PHE A 53 -1.203 -2.550 -2.107 1.00 0.00 C ATOM 786 CG PHE A 53 -2.567 -2.278 -2.699 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.716 -2.169 -4.094 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.693 -2.174 -1.862 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.988 -1.944 -4.649 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.961 -1.951 -2.423 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.109 -1.827 -3.814 1.00 0.00 C ATOM 0 H PHE A 53 -1.671 -4.157 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.038 -4.412 -3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.163 -2.132 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.449 -2.031 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.854 -2.258 -4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.583 -2.265 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.102 -1.861 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.827 -1.874 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.084 -1.642 -4.240 1.00 0.00 H new ATOM 801 N THR A 54 1.479 -4.599 -2.505 1.00 0.00 N ATOM 802 CA THR A 54 2.872 -4.858 -2.165 1.00 0.00 C ATOM 803 C THR A 54 3.806 -4.175 -3.160 1.00 0.00 C ATOM 804 O THR A 54 3.507 -4.141 -4.355 1.00 0.00 O ATOM 805 CB THR A 54 3.091 -6.381 -2.087 1.00 0.00 C ATOM 806 OG1 THR A 54 2.010 -7.003 -1.397 1.00 0.00 O ATOM 807 CG2 THR A 54 4.401 -6.705 -1.370 1.00 0.00 C ATOM 0 H THR A 54 1.261 -4.711 -3.495 1.00 0.00 H new ATOM 0 HA THR A 54 3.108 -4.433 -1.189 1.00 0.00 H new ATOM 0 HB THR A 54 3.140 -6.765 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.161 -7.970 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.534 -7.786 -1.327 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.233 -6.258 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.371 -6.302 -0.358 1.00 0.00 H new ATOM 815 N VAL A 55 4.929 -3.649 -2.663 1.00 0.00 N ATOM 816 CA VAL A 55 5.970 -2.967 -3.422 1.00 0.00 C ATOM 817 C VAL A 55 7.284 -3.635 -3.056 1.00 0.00 C ATOM 818 O VAL A 55 7.508 -3.922 -1.874 1.00 0.00 O ATOM 819 CB VAL A 55 6.010 -1.473 -3.061 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.230 -0.730 -3.626 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.764 -0.756 -3.573 1.00 0.00 C ATOM 0 H VAL A 55 5.144 -3.692 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 55 5.780 -3.036 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 55 6.066 -1.452 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.187 0.318 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.143 -1.181 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.227 -0.799 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.816 0.299 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.708 -0.853 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.877 -1.202 -3.123 1.00 0.00 H new ATOM 831 N THR A 56 8.120 -3.894 -4.056 1.00 0.00 N ATOM 832 CA THR A 56 9.419 -4.513 -3.902 1.00 0.00 C ATOM 833 C THR A 56 10.458 -3.640 -4.611 1.00 0.00 C ATOM 834 O THR A 56 10.463 -3.597 -5.840 1.00 0.00 O ATOM 835 CB THR A 56 9.350 -5.965 -4.411 1.00 0.00 C ATOM 836 OG1 THR A 56 8.187 -6.612 -3.909 1.00 0.00 O ATOM 837 CG2 THR A 56 10.575 -6.763 -3.957 1.00 0.00 C ATOM 0 H THR A 56 7.899 -3.669 -5.026 1.00 0.00 H new ATOM 0 HA THR A 56 9.725 -4.577 -2.858 1.00 0.00 H new ATOM 0 HB THR A 56 9.320 -5.928 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.156 -7.533 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.502 -7.785 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.479 -6.297 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.618 -6.776 -2.868 1.00 0.00 H new ATOM 845 N GLU A 57 11.278 -2.890 -3.868 1.00 0.00 N ATOM 846 CA GLU A 57 12.325 -2.046 -4.448 1.00 0.00 C ATOM 847 C GLU A 57 13.430 -2.944 -4.984 1.00 0.00 C ATOM 848 O GLU A 57 13.777 -2.839 -6.178 1.00 0.00 O ATOM 849 CB GLU A 57 12.893 -1.069 -3.404 1.00 0.00 C ATOM 850 CG GLU A 57 13.606 0.111 -4.089 1.00 0.00 C ATOM 851 CD GLU A 57 14.148 1.149 -3.096 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.422 1.580 -2.164 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.320 1.570 -3.209 1.00 0.00 O ATOM 0 H GLU A 57 11.234 -2.852 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 57 11.899 -1.451 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.087 -0.695 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.592 -1.593 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.430 -0.271 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.911 0.600 -4.772 1.00 0.00 H new TER 860 GLU A 57