USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 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 -34:sc= 0.188 USER MOD Set 1.2: A 52 THR OG1 : rot 54:sc= 0.979 USER MOD Set 2.1: A 33 GLN : amide:sc= -1.68! K(o=-2.3!,f=0.81) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.63! K(o=-2.3!,f=0.52) USER MOD Single : A 1 MET CE :methyl -156:sc= 0 (180deg=-0.0847) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.136 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -70:sc= 0.627 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.202) USER MOD Single : A 9 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.4!) 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 120:sc=-0.00382 USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.0426 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -130:sc= 0.142 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.14 K(o=1.1,f=-0.062) USER MOD Single : A 45 THR OG1 : rot -61:sc= 0.366 USER MOD Single : A 46 TYR OH : rot -166:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -0.41 (180deg=-1.56!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.947 -0.085 0.529 1.00 0.00 N ATOM 2 CA MET A 1 -15.243 -0.860 -0.521 1.00 0.00 C ATOM 3 C MET A 1 -14.805 0.072 -1.659 1.00 0.00 C ATOM 4 O MET A 1 -15.169 1.248 -1.677 1.00 0.00 O ATOM 5 CB MET A 1 -16.144 -2.026 -0.995 1.00 0.00 C ATOM 6 CG MET A 1 -15.530 -2.993 -2.018 1.00 0.00 C ATOM 7 SD MET A 1 -16.162 -4.690 -1.943 1.00 0.00 S ATOM 8 CE MET A 1 -14.698 -5.561 -2.566 1.00 0.00 C ATOM 0 H1 MET A 1 -15.427 -0.165 1.426 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.999 0.915 0.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.909 -0.461 0.651 1.00 0.00 H new ATOM 0 HA MET A 1 -14.332 -1.305 -0.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.446 -2.601 -0.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.051 -1.603 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.707 -2.599 -3.019 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.450 -3.017 -1.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.998 -6.518 -2.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.215 -4.957 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.000 -5.731 -1.746 1.00 0.00 H new ATOM 18 N GLY A 2 -14.110 -0.456 -2.668 1.00 0.00 N ATOM 19 CA GLY A 2 -13.609 0.220 -3.846 1.00 0.00 C ATOM 20 C GLY A 2 -12.157 -0.129 -4.133 1.00 0.00 C ATOM 21 O GLY A 2 -11.531 -0.932 -3.432 1.00 0.00 O ATOM 0 H GLY A 2 -13.869 -1.447 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.223 -0.049 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.703 1.298 -3.712 1.00 0.00 H new ATOM 25 N THR A 3 -11.643 0.425 -5.228 1.00 0.00 N ATOM 26 CA THR A 3 -10.281 0.210 -5.672 1.00 0.00 C ATOM 27 C THR A 3 -9.355 1.096 -4.842 1.00 0.00 C ATOM 28 O THR A 3 -9.414 2.323 -4.900 1.00 0.00 O ATOM 29 CB THR A 3 -10.146 0.510 -7.171 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.261 0.040 -7.921 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.863 -0.091 -7.749 1.00 0.00 C ATOM 0 H THR A 3 -12.176 1.045 -5.838 1.00 0.00 H new ATOM 0 HA THR A 3 -10.003 -0.834 -5.529 1.00 0.00 H new ATOM 0 HB THR A 3 -10.107 1.596 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.248 -0.940 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.800 0.141 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.000 0.330 -7.234 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.875 -1.172 -7.613 1.00 0.00 H new ATOM 39 N TYR A 4 -8.519 0.466 -4.039 1.00 0.00 N ATOM 40 CA TYR A 4 -7.541 1.097 -3.176 1.00 0.00 C ATOM 41 C TYR A 4 -6.236 1.173 -3.971 1.00 0.00 C ATOM 42 O TYR A 4 -6.054 0.430 -4.944 1.00 0.00 O ATOM 43 CB TYR A 4 -7.374 0.237 -1.919 1.00 0.00 C ATOM 44 CG TYR A 4 -8.405 0.476 -0.841 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.155 1.455 0.137 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.584 -0.290 -0.787 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.053 1.637 1.199 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.501 -0.095 0.256 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.222 0.855 1.264 1.00 0.00 C ATOM 50 OH TYR A 4 -11.106 1.062 2.267 1.00 0.00 O ATOM 0 H TYR A 4 -8.504 -0.551 -3.968 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.844 2.097 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.409 -0.813 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.384 0.419 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.269 2.069 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.783 -1.029 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.849 2.373 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.416 -0.668 0.289 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.860 0.444 2.171 1.00 0.00 H new ATOM 60 N LYS A 5 -5.291 2.012 -3.541 1.00 0.00 N ATOM 61 CA LYS A 5 -4.006 2.205 -4.209 1.00 0.00 C ATOM 62 C LYS A 5 -2.856 2.181 -3.211 1.00 0.00 C ATOM 63 O LYS A 5 -3.023 2.597 -2.069 1.00 0.00 O ATOM 64 CB LYS A 5 -4.064 3.541 -4.958 1.00 0.00 C ATOM 65 CG LYS A 5 -2.940 3.725 -5.983 1.00 0.00 C ATOM 66 CD LYS A 5 -2.639 5.208 -6.215 1.00 0.00 C ATOM 67 CE LYS A 5 -1.888 5.433 -7.527 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.776 4.480 -7.727 1.00 0.00 N ATOM 0 H LYS A 5 -5.401 2.585 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.824 1.391 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.024 3.620 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.020 4.355 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.040 3.219 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.224 3.257 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.572 5.771 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.046 5.593 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.587 5.347 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.495 6.450 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.126 4.851 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.262 4.353 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.156 3.564 -8.041 1.00 0.00 H new ATOM 82 N LEU A 6 -1.699 1.678 -3.621 1.00 0.00 N ATOM 83 CA LEU A 6 -0.487 1.593 -2.816 1.00 0.00 C ATOM 84 C LEU A 6 0.646 2.267 -3.571 1.00 0.00 C ATOM 85 O LEU A 6 0.731 2.152 -4.798 1.00 0.00 O ATOM 86 CB LEU A 6 -0.138 0.129 -2.540 1.00 0.00 C ATOM 87 CG LEU A 6 1.197 -0.121 -1.803 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.171 0.485 -0.393 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.469 -1.630 -1.751 1.00 0.00 C ATOM 0 H LEU A 6 -1.574 1.303 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.643 2.093 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.943 -0.311 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.110 -0.403 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 6 2.004 0.369 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.123 0.294 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.007 1.560 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.365 0.031 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.410 -1.812 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.658 -2.128 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.532 -2.024 -2.766 1.00 0.00 H new ATOM 101 N ILE A 7 1.512 2.931 -2.813 1.00 0.00 N ATOM 102 CA ILE A 7 2.690 3.644 -3.265 1.00 0.00 C ATOM 103 C ILE A 7 3.866 3.124 -2.440 1.00 0.00 C ATOM 104 O ILE A 7 3.929 3.315 -1.225 1.00 0.00 O ATOM 105 CB ILE A 7 2.482 5.175 -3.172 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.222 5.614 -3.954 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.742 5.910 -3.667 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.981 7.126 -3.970 1.00 0.00 C ATOM 0 H ILE A 7 1.397 2.986 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 7 2.895 3.463 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 7 2.320 5.443 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.306 5.261 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.351 5.124 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.586 6.987 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.595 5.626 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.938 5.638 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.078 7.344 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.862 7.486 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.832 7.625 -4.434 1.00 0.00 H new ATOM 120 N LEU A 8 4.751 2.368 -3.084 1.00 0.00 N ATOM 121 CA LEU A 8 5.942 1.800 -2.491 1.00 0.00 C ATOM 122 C LEU A 8 7.042 2.831 -2.694 1.00 0.00 C ATOM 123 O LEU A 8 7.538 3.014 -3.806 1.00 0.00 O ATOM 124 CB LEU A 8 6.322 0.484 -3.178 1.00 0.00 C ATOM 125 CG LEU A 8 5.292 -0.633 -3.067 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.814 -1.872 -3.803 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.986 -1.040 -1.634 1.00 0.00 C ATOM 0 H LEU A 8 4.648 2.130 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 8 5.785 1.575 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.503 0.684 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.262 0.131 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 8 4.372 -0.246 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.081 -2.676 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.979 -1.629 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.753 -2.194 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.245 -1.839 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.899 -1.391 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.595 -0.182 -1.088 1.00 0.00 H new ATOM 139 N ASN A 9 7.390 3.519 -1.619 1.00 0.00 N ATOM 140 CA ASN A 9 8.417 4.552 -1.590 1.00 0.00 C ATOM 141 C ASN A 9 9.629 4.002 -0.853 1.00 0.00 C ATOM 142 O ASN A 9 9.910 4.403 0.278 1.00 0.00 O ATOM 143 CB ASN A 9 7.894 5.826 -0.897 1.00 0.00 C ATOM 144 CG ASN A 9 7.107 6.760 -1.792 1.00 0.00 C ATOM 145 OD1 ASN A 9 6.988 6.562 -2.998 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.561 7.806 -1.202 1.00 0.00 N ATOM 0 H ASN A 9 6.951 3.370 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 9 8.693 4.824 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.263 5.533 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.742 6.371 -0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.022 8.477 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.677 7.944 -0.198 1.00 0.00 H new ATOM 153 N GLY A 10 10.394 3.116 -1.489 1.00 0.00 N ATOM 154 CA GLY A 10 11.576 2.547 -0.869 1.00 0.00 C ATOM 155 C GLY A 10 12.882 3.225 -1.255 1.00 0.00 C ATOM 156 O GLY A 10 13.056 3.788 -2.339 1.00 0.00 O ATOM 0 H GLY A 10 10.211 2.780 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.462 2.597 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.637 1.492 -1.135 1.00 0.00 H new ATOM 160 N LYS A 11 13.829 3.145 -0.327 1.00 0.00 N ATOM 161 CA LYS A 11 15.186 3.680 -0.430 1.00 0.00 C ATOM 162 C LYS A 11 16.041 2.803 -1.332 1.00 0.00 C ATOM 163 O LYS A 11 17.137 3.215 -1.716 1.00 0.00 O ATOM 164 CB LYS A 11 15.809 3.731 0.969 1.00 0.00 C ATOM 165 CG LYS A 11 15.152 4.852 1.777 1.00 0.00 C ATOM 166 CD LYS A 11 15.321 4.678 3.281 1.00 0.00 C ATOM 167 CE LYS A 11 16.753 4.644 3.795 1.00 0.00 C ATOM 168 NZ LYS A 11 16.754 4.578 5.272 1.00 0.00 N ATOM 0 H LYS A 11 13.664 2.681 0.566 1.00 0.00 H new ATOM 0 HA LYS A 11 15.141 4.681 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.673 2.775 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.883 3.902 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.581 5.808 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.089 4.890 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.796 5.492 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.828 3.752 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.276 3.781 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.290 5.532 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.735 4.555 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.271 5.414 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.258 3.718 5.581 1.00 0.00 H new ATOM 182 N THR A 12 15.543 1.634 -1.717 1.00 0.00 N ATOM 183 CA THR A 12 16.231 0.681 -2.571 1.00 0.00 C ATOM 184 C THR A 12 15.464 0.513 -3.890 1.00 0.00 C ATOM 185 O THR A 12 16.069 0.562 -4.968 1.00 0.00 O ATOM 186 CB THR A 12 16.429 -0.637 -1.797 1.00 0.00 C ATOM 187 OG1 THR A 12 15.185 -1.230 -1.496 1.00 0.00 O ATOM 188 CG2 THR A 12 17.173 -0.466 -0.467 1.00 0.00 C ATOM 0 H THR A 12 14.617 1.315 -1.432 1.00 0.00 H new ATOM 0 HA THR A 12 17.223 1.043 -2.842 1.00 0.00 H new ATOM 0 HB THR A 12 17.029 -1.262 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.331 -2.066 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.275 -1.436 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.162 -0.049 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.612 0.208 0.180 1.00 0.00 H new ATOM 196 N LEU A 13 14.146 0.284 -3.813 1.00 0.00 N ATOM 197 CA LEU A 13 13.247 0.094 -4.953 1.00 0.00 C ATOM 198 C LEU A 13 11.966 0.879 -4.709 1.00 0.00 C ATOM 199 O LEU A 13 11.711 1.227 -3.561 1.00 0.00 O ATOM 200 CB LEU A 13 12.959 -1.416 -5.103 1.00 0.00 C ATOM 201 CG LEU A 13 11.969 -1.792 -6.226 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.495 -1.331 -7.583 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.717 -3.300 -6.249 1.00 0.00 C ATOM 0 H LEU A 13 13.660 0.224 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 13 13.701 0.458 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.902 -1.932 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.568 -1.790 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 13 11.025 -1.286 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.783 -1.605 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.624 -0.249 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.454 -1.809 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.016 -3.540 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.657 -3.823 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.297 -3.613 -5.293 1.00 0.00 H new ATOM 215 N LYS A 14 11.193 1.210 -5.746 1.00 0.00 N ATOM 216 CA LYS A 14 9.906 1.903 -5.664 1.00 0.00 C ATOM 217 C LYS A 14 8.960 1.233 -6.663 1.00 0.00 C ATOM 218 O LYS A 14 9.416 0.622 -7.637 1.00 0.00 O ATOM 219 CB LYS A 14 9.977 3.420 -5.924 1.00 0.00 C ATOM 220 CG LYS A 14 10.705 4.218 -4.831 1.00 0.00 C ATOM 221 CD LYS A 14 11.947 4.971 -5.304 1.00 0.00 C ATOM 222 CE LYS A 14 13.016 4.051 -5.895 1.00 0.00 C ATOM 223 NZ LYS A 14 14.121 4.845 -6.460 1.00 0.00 N ATOM 0 H LYS A 14 11.459 0.993 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 14 9.547 1.817 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.479 3.590 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.963 3.807 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.007 4.934 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.995 3.534 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.655 5.707 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.373 5.521 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.397 3.383 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.577 3.424 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.839 4.207 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.755 5.465 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.550 5.425 -5.711 1.00 0.00 H new ATOM 237 N GLY A 15 7.656 1.367 -6.445 1.00 0.00 N ATOM 238 CA GLY A 15 6.613 0.805 -7.295 1.00 0.00 C ATOM 239 C GLY A 15 5.227 1.264 -6.843 1.00 0.00 C ATOM 240 O GLY A 15 5.099 1.980 -5.848 1.00 0.00 O ATOM 0 H GLY A 15 7.285 1.885 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.780 1.107 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.665 -0.283 -7.269 1.00 0.00 H new ATOM 244 N GLU A 16 4.179 0.873 -7.566 1.00 0.00 N ATOM 245 CA GLU A 16 2.797 1.222 -7.257 1.00 0.00 C ATOM 246 C GLU A 16 1.864 0.104 -7.726 1.00 0.00 C ATOM 247 O GLU A 16 2.157 -0.589 -8.701 1.00 0.00 O ATOM 248 CB GLU A 16 2.403 2.526 -7.974 1.00 0.00 C ATOM 249 CG GLU A 16 2.884 3.799 -7.273 1.00 0.00 C ATOM 250 CD GLU A 16 2.334 5.091 -7.875 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.586 5.049 -8.877 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.516 6.156 -7.246 1.00 0.00 O ATOM 0 H GLU A 16 4.271 0.293 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 16 2.707 1.357 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.808 2.507 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.317 2.563 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.600 3.751 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.973 3.830 -7.307 1.00 0.00 H new ATOM 259 N THR A 17 0.708 -0.043 -7.080 1.00 0.00 N ATOM 260 CA THR A 17 -0.300 -1.044 -7.408 1.00 0.00 C ATOM 261 C THR A 17 -1.667 -0.580 -6.894 1.00 0.00 C ATOM 262 O THR A 17 -1.779 0.408 -6.157 1.00 0.00 O ATOM 263 CB THR A 17 0.125 -2.405 -6.806 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.744 -3.458 -7.164 1.00 0.00 O ATOM 265 CG2 THR A 17 0.140 -2.424 -5.274 1.00 0.00 C ATOM 0 H THR A 17 0.442 0.548 -6.293 1.00 0.00 H new ATOM 0 HA THR A 17 -0.384 -1.169 -8.488 1.00 0.00 H new ATOM 0 HB THR A 17 1.127 -2.543 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.429 -4.293 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.447 -3.410 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.842 -1.675 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.858 -2.201 -4.898 1.00 0.00 H new ATOM 273 N THR A 18 -2.711 -1.310 -7.272 1.00 0.00 N ATOM 274 CA THR A 18 -4.093 -1.104 -6.893 1.00 0.00 C ATOM 275 C THR A 18 -4.708 -2.471 -6.580 1.00 0.00 C ATOM 276 O THR A 18 -4.284 -3.482 -7.143 1.00 0.00 O ATOM 277 CB THR A 18 -4.863 -0.371 -8.010 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.630 -0.876 -9.319 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.499 1.107 -8.028 1.00 0.00 C ATOM 0 H THR A 18 -2.600 -2.112 -7.892 1.00 0.00 H new ATOM 0 HA THR A 18 -4.154 -0.470 -6.008 1.00 0.00 H new ATOM 0 HB THR A 18 -5.913 -0.535 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.154 -0.360 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.052 1.608 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.755 1.556 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.429 1.216 -8.206 1.00 0.00 H new ATOM 287 N THR A 19 -5.635 -2.531 -5.626 1.00 0.00 N ATOM 288 CA THR A 19 -6.334 -3.750 -5.242 1.00 0.00 C ATOM 289 C THR A 19 -7.749 -3.344 -4.853 1.00 0.00 C ATOM 290 O THR A 19 -7.968 -2.215 -4.414 1.00 0.00 O ATOM 291 CB THR A 19 -5.591 -4.517 -4.127 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.973 -5.882 -4.150 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.842 -3.971 -2.714 1.00 0.00 C ATOM 0 H THR A 19 -5.925 -1.714 -5.088 1.00 0.00 H new ATOM 0 HA THR A 19 -6.371 -4.455 -6.072 1.00 0.00 H new ATOM 0 HB THR A 19 -4.529 -4.389 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.183 -6.440 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.284 -4.565 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.514 -2.933 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.906 -4.027 -2.486 1.00 0.00 H new ATOM 301 N GLU A 20 -8.719 -4.233 -5.014 1.00 0.00 N ATOM 302 CA GLU A 20 -10.095 -3.946 -4.645 1.00 0.00 C ATOM 303 C GLU A 20 -10.272 -4.616 -3.295 1.00 0.00 C ATOM 304 O GLU A 20 -10.048 -5.823 -3.177 1.00 0.00 O ATOM 305 CB GLU A 20 -11.051 -4.416 -5.745 1.00 0.00 C ATOM 306 CG GLU A 20 -10.702 -3.621 -7.010 1.00 0.00 C ATOM 307 CD GLU A 20 -11.745 -3.672 -8.110 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.014 -4.763 -8.673 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.154 -2.576 -8.552 1.00 0.00 O ATOM 0 H GLU A 20 -8.575 -5.166 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.326 -2.885 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.942 -5.486 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.088 -4.244 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.540 -2.579 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.759 -3.996 -7.407 1.00 0.00 H new ATOM 316 N ALA A 21 -10.586 -3.840 -2.259 1.00 0.00 N ATOM 317 CA ALA A 21 -10.765 -4.353 -0.911 1.00 0.00 C ATOM 318 C ALA A 21 -12.092 -3.879 -0.341 1.00 0.00 C ATOM 319 O ALA A 21 -12.526 -2.750 -0.579 1.00 0.00 O ATOM 320 CB ALA A 21 -9.593 -3.917 -0.042 1.00 0.00 C ATOM 0 H ALA A 21 -10.723 -2.832 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.788 -5.443 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.727 -4.302 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.665 -4.309 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.547 -2.828 -0.013 1.00 0.00 H new ATOM 326 N VAL A 22 -12.701 -4.761 0.445 1.00 0.00 N ATOM 327 CA VAL A 22 -13.984 -4.536 1.083 1.00 0.00 C ATOM 328 C VAL A 22 -13.912 -3.460 2.148 1.00 0.00 C ATOM 329 O VAL A 22 -14.821 -2.634 2.226 1.00 0.00 O ATOM 330 CB VAL A 22 -14.524 -5.864 1.650 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.679 -6.475 2.777 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.963 -5.707 2.148 1.00 0.00 C ATOM 0 H VAL A 22 -12.301 -5.675 0.659 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.680 -4.169 0.329 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.476 -6.554 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.137 -7.406 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.673 -6.677 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.626 -5.776 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.318 -6.659 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.995 -4.954 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.602 -5.396 1.322 1.00 0.00 H new ATOM 342 N ASP A 23 -12.848 -3.460 2.947 1.00 0.00 N ATOM 343 CA ASP A 23 -12.640 -2.531 4.039 1.00 0.00 C ATOM 344 C ASP A 23 -11.180 -2.131 4.051 1.00 0.00 C ATOM 345 O ASP A 23 -10.319 -2.814 3.481 1.00 0.00 O ATOM 346 CB ASP A 23 -13.013 -3.188 5.384 1.00 0.00 C ATOM 347 CG ASP A 23 -14.518 -3.347 5.602 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.279 -2.393 5.312 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.948 -4.431 6.061 1.00 0.00 O ATOM 0 H ASP A 23 -12.086 -4.131 2.844 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.272 -1.654 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.542 -4.170 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.600 -2.590 6.196 1.00 0.00 H new ATOM 354 N ALA A 24 -10.910 -1.037 4.758 1.00 0.00 N ATOM 355 CA ALA A 24 -9.583 -0.475 4.925 1.00 0.00 C ATOM 356 C ALA A 24 -8.624 -1.521 5.492 1.00 0.00 C ATOM 357 O ALA A 24 -7.460 -1.591 5.100 1.00 0.00 O ATOM 358 CB ALA A 24 -9.706 0.698 5.903 1.00 0.00 C ATOM 0 H ALA A 24 -11.633 -0.505 5.243 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.188 -0.146 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.725 1.149 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.388 1.443 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.092 0.338 6.857 1.00 0.00 H new ATOM 364 N ALA A 25 -9.124 -2.363 6.402 1.00 0.00 N ATOM 365 CA ALA A 25 -8.322 -3.394 7.026 1.00 0.00 C ATOM 366 C ALA A 25 -7.771 -4.377 6.002 1.00 0.00 C ATOM 367 O ALA A 25 -6.574 -4.663 6.008 1.00 0.00 O ATOM 368 CB ALA A 25 -9.129 -4.115 8.094 1.00 0.00 C ATOM 0 H ALA A 25 -10.093 -2.341 6.719 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.467 -2.912 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.514 -4.888 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.446 -3.401 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.007 -4.574 7.639 1.00 0.00 H new ATOM 374 N THR A 26 -8.644 -4.888 5.139 1.00 0.00 N ATOM 375 CA THR A 26 -8.338 -5.830 4.078 1.00 0.00 C ATOM 376 C THR A 26 -7.289 -5.219 3.148 1.00 0.00 C ATOM 377 O THR A 26 -6.284 -5.856 2.840 1.00 0.00 O ATOM 378 CB THR A 26 -9.646 -6.084 3.320 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.720 -6.296 4.216 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.596 -7.219 2.303 1.00 0.00 C ATOM 0 H THR A 26 -9.633 -4.641 5.166 1.00 0.00 H new ATOM 0 HA THR A 26 -7.938 -6.764 4.471 1.00 0.00 H new ATOM 0 HB THR A 26 -9.805 -5.173 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.203 -7.110 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.569 -7.319 1.821 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.839 -7.000 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.345 -8.151 2.810 1.00 0.00 H new ATOM 388 N ALA A 27 -7.515 -3.972 2.724 1.00 0.00 N ATOM 389 CA ALA A 27 -6.624 -3.254 1.829 1.00 0.00 C ATOM 390 C ALA A 27 -5.223 -3.166 2.419 1.00 0.00 C ATOM 391 O ALA A 27 -4.246 -3.487 1.745 1.00 0.00 O ATOM 392 CB ALA A 27 -7.182 -1.844 1.584 1.00 0.00 C ATOM 0 H ALA A 27 -8.335 -3.432 3.001 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.561 -3.793 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.517 -1.301 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.172 -1.918 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.254 -1.311 2.532 1.00 0.00 H new ATOM 398 N GLU A 28 -5.134 -2.777 3.690 1.00 0.00 N ATOM 399 CA GLU A 28 -3.874 -2.621 4.389 1.00 0.00 C ATOM 400 C GLU A 28 -3.105 -3.940 4.465 1.00 0.00 C ATOM 401 O GLU A 28 -1.887 -3.928 4.345 1.00 0.00 O ATOM 402 CB GLU A 28 -4.169 -2.004 5.759 1.00 0.00 C ATOM 403 CG GLU A 28 -2.935 -1.472 6.503 1.00 0.00 C ATOM 404 CD GLU A 28 -3.316 -0.818 7.841 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.456 -0.319 8.000 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.485 -0.846 8.784 1.00 0.00 O ATOM 0 H GLU A 28 -5.949 -2.560 4.264 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.212 -1.949 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.878 -1.187 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.657 -2.753 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.238 -2.290 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.418 -0.745 5.877 1.00 0.00 H new ATOM 413 N LYS A 29 -3.787 -5.079 4.647 1.00 0.00 N ATOM 414 CA LYS A 29 -3.132 -6.389 4.715 1.00 0.00 C ATOM 415 C LYS A 29 -2.614 -6.790 3.348 1.00 0.00 C ATOM 416 O LYS A 29 -1.439 -7.139 3.225 1.00 0.00 O ATOM 417 CB LYS A 29 -4.146 -7.467 5.109 1.00 0.00 C ATOM 418 CG LYS A 29 -4.615 -7.338 6.549 1.00 0.00 C ATOM 419 CD LYS A 29 -5.858 -8.201 6.747 1.00 0.00 C ATOM 420 CE LYS A 29 -6.463 -7.874 8.101 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.650 -8.399 9.227 1.00 0.00 N ATOM 0 H LYS A 29 -4.801 -5.117 4.750 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.324 -6.310 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.008 -7.408 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.698 -8.450 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.826 -7.653 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.839 -6.297 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.581 -8.011 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.597 -9.258 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.561 -6.793 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.468 -8.292 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.104 -8.150 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.577 -9.434 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.698 -7.982 9.192 1.00 0.00 H new ATOM 435 N VAL A 30 -3.478 -6.712 2.334 1.00 0.00 N ATOM 436 CA VAL A 30 -3.111 -7.080 0.971 1.00 0.00 C ATOM 437 C VAL A 30 -1.897 -6.271 0.544 1.00 0.00 C ATOM 438 O VAL A 30 -0.928 -6.831 0.027 1.00 0.00 O ATOM 439 CB VAL A 30 -4.325 -6.910 0.043 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.981 -6.962 -1.451 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.296 -8.052 0.341 1.00 0.00 C ATOM 0 H VAL A 30 -4.442 -6.395 2.436 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.826 -8.131 0.912 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.744 -5.923 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.890 -6.834 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.279 -6.163 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.529 -7.925 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.172 -7.962 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.804 -9.006 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.606 -8.003 1.385 1.00 0.00 H new ATOM 451 N PHE A 31 -1.925 -4.963 0.787 1.00 0.00 N ATOM 452 CA PHE A 31 -0.825 -4.096 0.439 1.00 0.00 C ATOM 453 C PHE A 31 0.394 -4.395 1.294 1.00 0.00 C ATOM 454 O PHE A 31 1.482 -4.426 0.729 1.00 0.00 O ATOM 455 CB PHE A 31 -1.278 -2.647 0.518 1.00 0.00 C ATOM 456 CG PHE A 31 -2.202 -2.189 -0.600 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.207 -2.789 -1.883 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.996 -1.053 -0.375 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.972 -2.242 -2.924 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.751 -0.501 -1.421 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.738 -1.091 -2.696 1.00 0.00 C ATOM 0 H PHE A 31 -2.711 -4.485 1.229 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.516 -4.283 -0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.785 -2.494 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.395 -2.008 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.617 -3.676 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.026 -0.603 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.971 -2.707 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.346 0.383 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.317 -0.658 -3.499 1.00 0.00 H new ATOM 471 N LYS A 32 0.261 -4.664 2.599 1.00 0.00 N ATOM 472 CA LYS A 32 1.410 -4.995 3.444 1.00 0.00 C ATOM 473 C LYS A 32 2.136 -6.186 2.853 1.00 0.00 C ATOM 474 O LYS A 32 3.347 -6.144 2.674 1.00 0.00 O ATOM 475 CB LYS A 32 0.991 -5.271 4.900 1.00 0.00 C ATOM 476 CG LYS A 32 1.386 -4.109 5.832 1.00 0.00 C ATOM 477 CD LYS A 32 2.388 -4.595 6.886 1.00 0.00 C ATOM 478 CE LYS A 32 3.234 -3.475 7.515 1.00 0.00 C ATOM 479 NZ LYS A 32 2.474 -2.549 8.378 1.00 0.00 N ATOM 0 H LYS A 32 -0.633 -4.658 3.091 1.00 0.00 H new ATOM 0 HA LYS A 32 2.081 -4.136 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.087 -5.425 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.460 -6.192 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.824 -3.298 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.499 -3.707 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.844 -5.112 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.055 -5.325 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.034 -3.926 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.708 -2.903 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.683 -1.568 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.456 -2.729 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.747 -2.696 9.371 1.00 0.00 H new ATOM 493 N GLN A 33 1.394 -7.230 2.507 1.00 0.00 N ATOM 494 CA GLN A 33 1.952 -8.425 1.926 1.00 0.00 C ATOM 495 C GLN A 33 2.618 -8.065 0.600 1.00 0.00 C ATOM 496 O GLN A 33 3.715 -8.546 0.334 1.00 0.00 O ATOM 497 CB GLN A 33 0.829 -9.451 1.722 1.00 0.00 C ATOM 498 CG GLN A 33 1.358 -10.838 1.336 1.00 0.00 C ATOM 499 CD GLN A 33 1.722 -11.643 2.577 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.873 -12.344 3.127 1.00 0.00 O ATOM 501 NE2 GLN A 33 2.931 -11.510 3.092 1.00 0.00 N ATOM 0 H GLN A 33 0.382 -7.263 2.626 1.00 0.00 H new ATOM 0 HA GLN A 33 2.703 -8.861 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.245 -9.532 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.154 -9.095 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.603 -11.372 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.234 -10.733 0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.623 -10.925 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.172 -11.992 3.958 1.00 0.00 H new ATOM 510 N TYR A 34 1.978 -7.215 -0.211 1.00 0.00 N ATOM 511 CA TYR A 34 2.528 -6.828 -1.511 1.00 0.00 C ATOM 512 C TYR A 34 3.869 -6.125 -1.323 1.00 0.00 C ATOM 513 O TYR A 34 4.847 -6.428 -1.994 1.00 0.00 O ATOM 514 CB TYR A 34 1.545 -5.935 -2.287 1.00 0.00 C ATOM 515 CG TYR A 34 1.765 -5.892 -3.793 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.658 -4.971 -4.383 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.043 -6.778 -4.614 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.803 -4.921 -5.786 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.172 -6.722 -6.011 1.00 0.00 C ATOM 520 CZ TYR A 34 2.035 -5.780 -6.607 1.00 0.00 C ATOM 521 OH TYR A 34 2.132 -5.745 -7.961 1.00 0.00 O ATOM 0 H TYR A 34 1.081 -6.784 0.011 1.00 0.00 H new ATOM 0 HA TYR A 34 2.686 -7.731 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.531 -6.283 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.614 -4.920 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.232 -4.303 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.384 -7.507 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.500 -4.227 -6.233 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.608 -7.403 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 34 1.527 -6.411 -8.350 1.00 0.00 H new ATOM 531 N ALA A 35 3.939 -5.169 -0.405 1.00 0.00 N ATOM 532 CA ALA A 35 5.163 -4.422 -0.149 1.00 0.00 C ATOM 533 C ALA A 35 6.261 -5.340 0.364 1.00 0.00 C ATOM 534 O ALA A 35 7.379 -5.283 -0.141 1.00 0.00 O ATOM 535 CB ALA A 35 4.884 -3.328 0.852 1.00 0.00 C ATOM 0 H ALA A 35 3.152 -4.891 0.181 1.00 0.00 H new ATOM 0 HA ALA A 35 5.506 -3.978 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.800 -2.769 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.124 -2.655 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.526 -3.769 1.782 1.00 0.00 H new ATOM 541 N ASN A 36 5.939 -6.202 1.329 1.00 0.00 N ATOM 542 CA ASN A 36 6.887 -7.157 1.890 1.00 0.00 C ATOM 543 C ASN A 36 7.403 -8.067 0.769 1.00 0.00 C ATOM 544 O ASN A 36 8.571 -8.445 0.783 1.00 0.00 O ATOM 545 CB ASN A 36 6.260 -7.920 3.078 1.00 0.00 C ATOM 546 CG ASN A 36 6.238 -9.438 2.952 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.882 -10.136 3.723 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.436 -9.988 2.058 1.00 0.00 N ATOM 0 H ASN A 36 5.008 -6.255 1.743 1.00 0.00 H new ATOM 0 HA ASN A 36 7.751 -6.638 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.807 -7.657 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.236 -7.570 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.350 -11.003 2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.903 -9.398 1.419 1.00 0.00 H new ATOM 555 N ASP A 37 6.571 -8.379 -0.232 1.00 0.00 N ATOM 556 CA ASP A 37 6.954 -9.225 -1.367 1.00 0.00 C ATOM 557 C ASP A 37 7.991 -8.488 -2.227 1.00 0.00 C ATOM 558 O ASP A 37 8.836 -9.107 -2.863 1.00 0.00 O ATOM 559 CB ASP A 37 5.716 -9.620 -2.179 1.00 0.00 C ATOM 560 CG ASP A 37 5.955 -10.733 -3.199 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.060 -11.308 -3.287 1.00 0.00 O ATOM 562 OD2 ASP A 37 4.986 -11.040 -3.934 1.00 0.00 O ATOM 0 H ASP A 37 5.607 -8.049 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 37 7.408 -10.146 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.932 -9.937 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.344 -8.739 -2.702 1.00 0.00 H new ATOM 567 N ASN A 38 7.955 -7.151 -2.237 1.00 0.00 N ATOM 568 CA ASN A 38 8.903 -6.299 -2.963 1.00 0.00 C ATOM 569 C ASN A 38 10.077 -5.944 -2.034 1.00 0.00 C ATOM 570 O ASN A 38 11.002 -5.251 -2.459 1.00 0.00 O ATOM 571 CB ASN A 38 8.245 -4.989 -3.435 1.00 0.00 C ATOM 572 CG ASN A 38 7.281 -5.183 -4.583 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.608 -4.935 -5.741 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.067 -5.578 -4.275 1.00 0.00 N ATOM 0 H ASN A 38 7.249 -6.619 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 38 9.246 -6.852 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.715 -4.535 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.023 -4.288 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.365 -5.687 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.826 -5.776 -3.304 1.00 0.00 H new ATOM 581 N GLY A 39 10.053 -6.384 -0.770 1.00 0.00 N ATOM 582 CA GLY A 39 11.077 -6.119 0.228 1.00 0.00 C ATOM 583 C GLY A 39 11.063 -4.666 0.657 1.00 0.00 C ATOM 584 O GLY A 39 12.127 -4.084 0.857 1.00 0.00 O ATOM 0 H GLY A 39 9.289 -6.955 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.916 -6.758 1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.057 -6.372 -0.177 1.00 0.00 H new ATOM 588 N VAL A 40 9.876 -4.083 0.785 1.00 0.00 N ATOM 589 CA VAL A 40 9.664 -2.709 1.187 1.00 0.00 C ATOM 590 C VAL A 40 8.960 -2.743 2.525 1.00 0.00 C ATOM 591 O VAL A 40 7.888 -3.340 2.660 1.00 0.00 O ATOM 592 CB VAL A 40 8.773 -1.977 0.174 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.638 -0.486 0.529 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.283 -2.112 -1.258 1.00 0.00 C ATOM 0 H VAL A 40 9.004 -4.580 0.603 1.00 0.00 H new ATOM 0 HA VAL A 40 10.618 -2.184 1.243 1.00 0.00 H new ATOM 0 HB VAL A 40 7.795 -2.455 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.001 0.007 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.193 -0.387 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.624 -0.020 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.616 -1.576 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.286 -1.691 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.311 -3.165 -1.536 1.00 0.00 H new ATOM 604 N ASP A 41 9.562 -2.111 3.520 1.00 0.00 N ATOM 605 CA ASP A 41 8.953 -2.059 4.828 1.00 0.00 C ATOM 606 C ASP A 41 9.418 -0.797 5.525 1.00 0.00 C ATOM 607 O ASP A 41 10.566 -0.691 5.954 1.00 0.00 O ATOM 608 CB ASP A 41 9.270 -3.313 5.628 1.00 0.00 C ATOM 609 CG ASP A 41 8.402 -3.341 6.883 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.200 -2.999 6.762 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.896 -3.741 7.958 1.00 0.00 O ATOM 0 H ASP A 41 10.460 -1.634 3.444 1.00 0.00 H new ATOM 0 HA ASP A 41 7.867 -2.027 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.085 -4.201 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.325 -3.328 5.901 1.00 0.00 H new ATOM 616 N GLY A 42 8.541 0.196 5.554 1.00 0.00 N ATOM 617 CA GLY A 42 8.786 1.482 6.163 1.00 0.00 C ATOM 618 C GLY A 42 7.549 1.997 6.873 1.00 0.00 C ATOM 619 O GLY A 42 6.712 1.227 7.334 1.00 0.00 O ATOM 0 H GLY A 42 7.612 0.120 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.609 1.400 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.094 2.196 5.399 1.00 0.00 H new ATOM 623 N GLU A 43 7.458 3.315 6.994 1.00 0.00 N ATOM 624 CA GLU A 43 6.345 3.979 7.640 1.00 0.00 C ATOM 625 C GLU A 43 5.137 3.978 6.711 1.00 0.00 C ATOM 626 O GLU A 43 5.156 4.640 5.667 1.00 0.00 O ATOM 627 CB GLU A 43 6.725 5.408 8.050 1.00 0.00 C ATOM 628 CG GLU A 43 5.534 6.101 8.741 1.00 0.00 C ATOM 629 CD GLU A 43 5.878 7.423 9.431 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.076 7.760 9.569 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.942 8.106 9.904 1.00 0.00 O ATOM 0 H GLU A 43 8.167 3.957 6.640 1.00 0.00 H new ATOM 0 HA GLU A 43 6.087 3.435 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.582 5.385 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.026 5.978 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.757 6.285 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.113 5.419 9.480 1.00 0.00 H new ATOM 638 N TRP A 44 4.106 3.221 7.088 1.00 0.00 N ATOM 639 CA TRP A 44 2.869 3.135 6.341 1.00 0.00 C ATOM 640 C TRP A 44 1.987 4.325 6.720 1.00 0.00 C ATOM 641 O TRP A 44 1.773 4.591 7.905 1.00 0.00 O ATOM 642 CB TRP A 44 2.151 1.820 6.645 1.00 0.00 C ATOM 643 CG TRP A 44 2.858 0.616 6.116 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.981 0.063 6.628 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.549 -0.148 4.919 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.425 -0.944 5.800 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.573 -1.119 4.734 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.528 -0.094 3.948 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.583 -1.979 3.635 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.525 -0.959 2.844 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.550 -1.896 2.686 1.00 0.00 C ATOM 0 H TRP A 44 4.115 2.647 7.931 1.00 0.00 H new ATOM 0 HA TRP A 44 3.082 3.160 5.272 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.037 1.719 7.724 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.148 1.857 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.458 0.366 7.548 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.273 -1.488 5.956 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.732 0.628 4.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.377 -2.701 3.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.730 -0.901 2.115 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.548 -2.558 1.833 1.00 0.00 H new ATOM 662 N THR A 45 1.443 4.990 5.709 1.00 0.00 N ATOM 663 CA THR A 45 0.573 6.155 5.767 1.00 0.00 C ATOM 664 C THR A 45 -0.694 5.873 4.946 1.00 0.00 C ATOM 665 O THR A 45 -0.722 4.896 4.190 1.00 0.00 O ATOM 666 CB THR A 45 1.341 7.358 5.197 1.00 0.00 C ATOM 667 OG1 THR A 45 1.624 7.132 3.836 1.00 0.00 O ATOM 668 CG2 THR A 45 2.701 7.575 5.852 1.00 0.00 C ATOM 0 H THR A 45 1.615 4.702 4.746 1.00 0.00 H new ATOM 0 HA THR A 45 0.277 6.374 6.793 1.00 0.00 H new ATOM 0 HB THR A 45 0.701 8.222 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.178 6.329 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.188 8.440 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.567 7.749 6.920 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.322 6.691 5.704 1.00 0.00 H new ATOM 676 N TYR A 46 -1.724 6.713 5.035 1.00 0.00 N ATOM 677 CA TYR A 46 -2.972 6.563 4.301 1.00 0.00 C ATOM 678 C TYR A 46 -3.485 7.944 3.904 1.00 0.00 C ATOM 679 O TYR A 46 -3.365 8.899 4.673 1.00 0.00 O ATOM 680 CB TYR A 46 -3.983 5.814 5.177 1.00 0.00 C ATOM 681 CG TYR A 46 -5.380 5.693 4.593 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.597 4.950 3.417 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.467 6.312 5.235 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.885 4.853 2.863 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.766 6.168 4.723 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.979 5.454 3.524 1.00 0.00 C ATOM 687 OH TYR A 46 -9.236 5.308 3.024 1.00 0.00 O ATOM 0 H TYR A 46 -1.710 7.537 5.636 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.818 5.983 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.600 4.812 5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.052 6.321 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.768 4.451 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.302 6.900 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.038 4.321 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.604 6.604 5.247 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.836 5.952 3.455 1.00 0.00 H new ATOM 697 N ASP A 47 -4.097 8.045 2.731 1.00 0.00 N ATOM 698 CA ASP A 47 -4.666 9.239 2.132 1.00 0.00 C ATOM 699 C ASP A 47 -6.095 8.862 1.763 1.00 0.00 C ATOM 700 O ASP A 47 -6.369 8.417 0.644 1.00 0.00 O ATOM 701 CB ASP A 47 -3.909 9.670 0.864 1.00 0.00 C ATOM 702 CG ASP A 47 -2.564 10.353 1.074 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.613 9.726 1.590 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.402 11.482 0.559 1.00 0.00 O ATOM 0 H ASP A 47 -4.216 7.230 2.130 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.609 10.077 2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.750 8.787 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.550 10.346 0.297 1.00 0.00 H new ATOM 709 N ASP A 48 -7.022 9.022 2.707 1.00 0.00 N ATOM 710 CA ASP A 48 -8.445 8.706 2.549 1.00 0.00 C ATOM 711 C ASP A 48 -9.077 9.385 1.345 1.00 0.00 C ATOM 712 O ASP A 48 -9.914 8.813 0.645 1.00 0.00 O ATOM 713 CB ASP A 48 -9.200 9.152 3.799 1.00 0.00 C ATOM 714 CG ASP A 48 -10.612 8.581 3.801 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.764 7.348 3.980 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.581 9.355 3.625 1.00 0.00 O ATOM 0 H ASP A 48 -6.798 9.387 3.633 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.513 7.629 2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.667 8.822 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.241 10.241 3.837 1.00 0.00 H new ATOM 721 N ALA A 49 -8.598 10.594 1.083 1.00 0.00 N ATOM 722 CA ALA A 49 -8.994 11.484 0.004 1.00 0.00 C ATOM 723 C ALA A 49 -8.882 10.864 -1.393 1.00 0.00 C ATOM 724 O ALA A 49 -9.491 11.342 -2.351 1.00 0.00 O ATOM 725 CB ALA A 49 -8.033 12.659 0.066 1.00 0.00 C ATOM 0 H ALA A 49 -7.868 11.007 1.664 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.043 11.745 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.277 13.370 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.120 13.149 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.012 12.302 -0.070 1.00 0.00 H new ATOM 731 N THR A 50 -8.001 9.881 -1.538 1.00 0.00 N ATOM 732 CA THR A 50 -7.725 9.145 -2.761 1.00 0.00 C ATOM 733 C THR A 50 -7.618 7.643 -2.419 1.00 0.00 C ATOM 734 O THR A 50 -7.119 6.862 -3.230 1.00 0.00 O ATOM 735 CB THR A 50 -6.494 9.813 -3.431 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.101 9.234 -4.658 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.279 9.894 -2.500 1.00 0.00 C ATOM 0 H THR A 50 -7.428 9.559 -0.758 1.00 0.00 H new ATOM 0 HA THR A 50 -8.519 9.188 -3.506 1.00 0.00 H new ATOM 0 HB THR A 50 -6.850 10.820 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.269 8.269 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.450 10.370 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.535 10.480 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.986 8.889 -2.196 1.00 0.00 H new ATOM 745 N LYS A 51 -8.076 7.217 -1.222 1.00 0.00 N ATOM 746 CA LYS A 51 -8.033 5.847 -0.683 1.00 0.00 C ATOM 747 C LYS A 51 -6.723 5.159 -1.098 1.00 0.00 C ATOM 748 O LYS A 51 -6.706 4.064 -1.667 1.00 0.00 O ATOM 749 CB LYS A 51 -9.336 5.068 -0.967 1.00 0.00 C ATOM 750 CG LYS A 51 -9.815 5.195 -2.418 1.00 0.00 C ATOM 751 CD LYS A 51 -10.855 4.142 -2.825 1.00 0.00 C ATOM 752 CE LYS A 51 -12.216 4.369 -2.158 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.289 3.595 -2.805 1.00 0.00 N ATOM 0 H LYS A 51 -8.513 7.865 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.006 5.876 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.179 4.015 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.119 5.429 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.241 6.188 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.954 5.117 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.978 4.158 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.486 3.151 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.154 4.091 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.464 5.430 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.123 4.202 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.960 3.252 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.543 2.784 -2.205 1.00 0.00 H new ATOM 767 N THR A 52 -5.611 5.852 -0.849 1.00 0.00 N ATOM 768 CA THR A 52 -4.266 5.407 -1.180 1.00 0.00 C ATOM 769 C THR A 52 -3.450 5.220 0.095 1.00 0.00 C ATOM 770 O THR A 52 -3.745 5.837 1.111 1.00 0.00 O ATOM 771 CB THR A 52 -3.632 6.451 -2.118 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.397 6.599 -3.298 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.217 6.104 -2.580 1.00 0.00 C ATOM 0 H THR A 52 -5.627 6.766 -0.397 1.00 0.00 H new ATOM 0 HA THR A 52 -4.291 4.443 -1.689 1.00 0.00 H new ATOM 0 HB THR A 52 -3.601 7.361 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.326 6.803 -3.062 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.845 6.891 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.563 6.016 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.233 5.158 -3.121 1.00 0.00 H new ATOM 781 N PHE A 53 -2.403 4.405 0.036 1.00 0.00 N ATOM 782 CA PHE A 53 -1.475 4.094 1.109 1.00 0.00 C ATOM 783 C PHE A 53 -0.058 4.329 0.595 1.00 0.00 C ATOM 784 O PHE A 53 0.194 4.134 -0.597 1.00 0.00 O ATOM 785 CB PHE A 53 -1.625 2.615 1.472 1.00 0.00 C ATOM 786 CG PHE A 53 -2.865 2.252 2.255 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.843 2.243 3.663 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.001 1.800 1.566 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.942 1.736 4.379 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.097 1.288 2.284 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.060 1.240 3.688 1.00 0.00 C ATOM 0 H PHE A 53 -2.167 3.911 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.675 4.716 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.616 2.032 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.752 2.312 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.983 2.625 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.034 1.845 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.927 1.728 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.968 0.931 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.891 0.822 4.236 1.00 0.00 H new ATOM 801 N THR A 54 0.877 4.768 1.440 1.00 0.00 N ATOM 802 CA THR A 54 2.257 4.975 1.023 1.00 0.00 C ATOM 803 C THR A 54 3.162 4.395 2.094 1.00 0.00 C ATOM 804 O THR A 54 2.950 4.694 3.271 1.00 0.00 O ATOM 805 CB THR A 54 2.558 6.451 0.747 1.00 0.00 C ATOM 806 OG1 THR A 54 1.558 7.017 -0.079 1.00 0.00 O ATOM 807 CG2 THR A 54 3.928 6.650 0.102 1.00 0.00 C ATOM 0 H THR A 54 0.698 4.987 2.420 1.00 0.00 H new ATOM 0 HA THR A 54 2.437 4.463 0.078 1.00 0.00 H new ATOM 0 HB THR A 54 2.565 6.958 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.765 7.961 -0.244 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.096 7.712 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.702 6.265 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.965 6.114 -0.847 1.00 0.00 H new ATOM 815 N VAL A 55 4.109 3.540 1.721 1.00 0.00 N ATOM 816 CA VAL A 55 5.056 2.935 2.647 1.00 0.00 C ATOM 817 C VAL A 55 6.401 3.573 2.331 1.00 0.00 C ATOM 818 O VAL A 55 6.965 3.340 1.260 1.00 0.00 O ATOM 819 CB VAL A 55 5.020 1.398 2.593 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.196 0.793 1.199 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.080 0.823 3.542 1.00 0.00 C ATOM 0 H VAL A 55 4.241 3.245 0.754 1.00 0.00 H new ATOM 0 HA VAL A 55 4.807 3.130 3.690 1.00 0.00 H new ATOM 0 HB VAL A 55 4.014 1.120 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.156 -0.294 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.398 1.146 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.160 1.096 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.052 -0.266 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.067 1.172 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.875 1.154 4.560 1.00 0.00 H new ATOM 831 N THR A 56 6.883 4.408 3.244 1.00 0.00 N ATOM 832 CA THR A 56 8.141 5.111 3.087 1.00 0.00 C ATOM 833 C THR A 56 9.253 4.389 3.846 1.00 0.00 C ATOM 834 O THR A 56 9.334 4.462 5.077 1.00 0.00 O ATOM 835 CB THR A 56 8.012 6.573 3.529 1.00 0.00 C ATOM 836 OG1 THR A 56 6.688 7.069 3.350 1.00 0.00 O ATOM 837 CG2 THR A 56 9.014 7.422 2.747 1.00 0.00 C ATOM 0 H THR A 56 6.404 4.615 4.120 1.00 0.00 H new ATOM 0 HA THR A 56 8.406 5.115 2.030 1.00 0.00 H new ATOM 0 HB THR A 56 8.230 6.631 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.646 8.003 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.928 8.464 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.025 7.067 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.805 7.342 1.680 1.00 0.00 H new ATOM 845 N GLU A 57 10.027 3.585 3.123 1.00 0.00 N ATOM 846 CA GLU A 57 11.161 2.842 3.656 1.00 0.00 C ATOM 847 C GLU A 57 12.156 3.885 4.152 1.00 0.00 C ATOM 848 O GLU A 57 12.302 4.931 3.487 1.00 0.00 O ATOM 849 CB GLU A 57 11.788 1.958 2.566 1.00 0.00 C ATOM 850 CG GLU A 57 12.520 0.733 3.099 1.00 0.00 C ATOM 851 CD GLU A 57 13.666 0.316 2.158 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.583 0.569 0.933 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.681 -0.241 2.644 1.00 0.00 O ATOM 0 H GLU A 57 9.878 3.429 2.126 1.00 0.00 H new ATOM 0 HA GLU A 57 10.857 2.175 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.003 1.630 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.486 2.559 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.920 0.947 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.818 -0.094 3.210 1.00 0.00 H new TER 860 GLU A 57