USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 474 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 THR N :NH3+ 154:sc= 0.21 (180deg=-0.179) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0151) USER MOD Single : A 8 ASN : amide:sc= -3.41! C(o=-3.4!,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 130:sc= -0.644 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.091) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00634) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -0.64 (180deg=-1.23) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 0.00551 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 73:sc= 0.214 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 18.834 8.664 18.905 1.00 0.00 N ATOM 2 CA THR A 1 18.049 7.416 18.700 1.00 0.00 C ATOM 3 C THR A 1 17.327 7.431 17.360 1.00 0.00 C ATOM 4 O THR A 1 16.252 6.857 17.220 1.00 0.00 O ATOM 5 CB THR A 1 17.047 7.283 19.847 1.00 0.00 C ATOM 6 OG1 THR A 1 17.594 7.755 21.059 1.00 0.00 O ATOM 7 CG2 THR A 1 16.588 5.861 20.076 1.00 0.00 C ATOM 0 H1 THR A 1 18.943 8.842 19.924 1.00 0.00 H new ATOM 0 H2 THR A 1 19.772 8.559 18.469 1.00 0.00 H new ATOM 0 H3 THR A 1 18.335 9.464 18.466 1.00 0.00 H new ATOM 0 HA THR A 1 18.725 6.561 18.691 1.00 0.00 H new ATOM 0 HB THR A 1 16.190 7.885 19.545 1.00 0.00 H new ATOM 0 HG1 THR A 1 16.932 7.660 21.775 1.00 0.00 H new ATOM 0 HG21 THR A 1 15.879 5.836 20.903 1.00 0.00 H new ATOM 0 HG22 THR A 1 16.106 5.484 19.174 1.00 0.00 H new ATOM 0 HG23 THR A 1 17.448 5.235 20.317 1.00 0.00 H new ATOM 17 N THR A 2 17.931 8.096 16.375 1.00 0.00 N ATOM 18 CA THR A 2 17.361 8.198 15.036 1.00 0.00 C ATOM 19 C THR A 2 15.856 8.479 15.088 1.00 0.00 C ATOM 20 O THR A 2 15.047 7.559 15.161 1.00 0.00 O ATOM 21 CB THR A 2 17.625 6.916 14.239 1.00 0.00 C ATOM 22 OG1 THR A 2 16.888 6.916 13.027 1.00 0.00 O ATOM 23 CG2 THR A 2 17.265 5.649 14.987 1.00 0.00 C ATOM 0 H THR A 2 18.824 8.576 16.484 1.00 0.00 H new ATOM 0 HA THR A 2 17.847 9.036 14.536 1.00 0.00 H new ATOM 0 HB THR A 2 18.699 6.916 14.055 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.072 6.090 12.532 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.479 4.783 14.360 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.852 5.588 15.903 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.204 5.663 15.237 1.00 0.00 H new ATOM 31 N TYR A 3 15.499 9.759 15.057 1.00 0.00 N ATOM 32 CA TYR A 3 14.095 10.162 15.099 1.00 0.00 C ATOM 33 C TYR A 3 13.389 9.814 13.799 1.00 0.00 C ATOM 34 O TYR A 3 14.027 9.556 12.776 1.00 0.00 O ATOM 35 CB TYR A 3 13.990 11.667 15.373 1.00 0.00 C ATOM 36 CG TYR A 3 13.651 12.000 16.808 1.00 0.00 C ATOM 37 CD1 TYR A 3 14.517 11.666 17.845 1.00 0.00 C ATOM 38 CD2 TYR A 3 12.462 12.653 17.125 1.00 0.00 C ATOM 39 CE1 TYR A 3 14.204 11.967 19.153 1.00 0.00 C ATOM 40 CE2 TYR A 3 12.156 12.962 18.440 1.00 0.00 C ATOM 41 CZ TYR A 3 13.030 12.616 19.450 1.00 0.00 C ATOM 42 OH TYR A 3 12.720 12.920 20.755 1.00 0.00 O ATOM 0 H TYR A 3 16.160 10.534 15.003 1.00 0.00 H new ATOM 0 HA TYR A 3 13.606 9.617 15.906 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.936 12.142 15.113 1.00 0.00 H new ATOM 0 HB3 TYR A 3 13.229 12.094 14.720 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.447 11.164 17.622 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.772 12.921 16.338 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.883 11.692 19.946 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.234 13.473 18.675 1.00 0.00 H new ATOM 0 HH TYR A 3 11.855 13.379 20.787 1.00 0.00 H new ATOM 52 N LYS A 4 12.060 9.807 13.837 1.00 0.00 N ATOM 53 CA LYS A 4 11.257 9.490 12.658 1.00 0.00 C ATOM 54 C LYS A 4 10.480 10.710 12.184 1.00 0.00 C ATOM 55 O LYS A 4 10.721 11.827 12.643 1.00 0.00 O ATOM 56 CB LYS A 4 10.303 8.336 12.963 1.00 0.00 C ATOM 57 CG LYS A 4 9.221 8.689 13.972 1.00 0.00 C ATOM 58 CD LYS A 4 7.833 8.312 13.462 1.00 0.00 C ATOM 59 CE LYS A 4 6.986 7.704 14.567 1.00 0.00 C ATOM 60 NZ LYS A 4 7.416 6.317 14.900 1.00 0.00 N ATOM 0 H LYS A 4 11.514 10.018 14.673 1.00 0.00 H new ATOM 0 HA LYS A 4 11.931 9.187 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.831 8.011 12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.878 7.491 13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.417 8.173 14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.254 9.758 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.336 9.197 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.926 7.603 12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.051 8.328 15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.940 7.696 14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.715 5.878 15.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.493 5.758 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.341 6.345 15.375 1.00 0.00 H new ATOM 74 N LEU A 5 9.554 10.493 11.258 1.00 0.00 N ATOM 75 CA LEU A 5 8.758 11.581 10.721 1.00 0.00 C ATOM 76 C LEU A 5 7.648 11.053 9.815 1.00 0.00 C ATOM 77 O LEU A 5 7.917 10.436 8.784 1.00 0.00 O ATOM 78 CB LEU A 5 9.660 12.544 9.948 1.00 0.00 C ATOM 79 CG LEU A 5 9.431 14.027 10.242 1.00 0.00 C ATOM 80 CD1 LEU A 5 9.945 14.378 11.629 1.00 0.00 C ATOM 81 CD2 LEU A 5 10.109 14.889 9.187 1.00 0.00 C ATOM 0 H LEU A 5 9.339 9.576 10.867 1.00 0.00 H new ATOM 0 HA LEU A 5 8.290 12.111 11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.699 12.302 10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.515 12.375 8.881 1.00 0.00 H new ATOM 0 HG LEU A 5 8.360 14.225 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.775 15.437 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.417 13.783 12.374 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.013 14.166 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.936 15.942 9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.181 14.689 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.697 14.655 8.206 1.00 0.00 H new ATOM 93 N ILE A 6 6.407 11.301 10.211 1.00 0.00 N ATOM 94 CA ILE A 6 5.258 10.853 9.436 1.00 0.00 C ATOM 95 C ILE A 6 4.825 11.917 8.434 1.00 0.00 C ATOM 96 O ILE A 6 4.446 13.025 8.814 1.00 0.00 O ATOM 97 CB ILE A 6 4.064 10.505 10.348 1.00 0.00 C ATOM 98 CG1 ILE A 6 4.506 9.562 11.469 1.00 0.00 C ATOM 99 CG2 ILE A 6 2.939 9.881 9.535 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.940 9.926 12.823 1.00 0.00 C ATOM 0 H ILE A 6 6.170 11.809 11.063 1.00 0.00 H new ATOM 0 HA ILE A 6 5.568 9.956 8.900 1.00 0.00 H new ATOM 0 HB ILE A 6 3.692 11.425 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.202 8.546 11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.594 9.564 11.527 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.104 9.641 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.608 10.585 8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.298 8.969 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.295 9.215 13.569 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.265 10.930 13.095 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.851 9.896 12.782 1.00 0.00 H new ATOM 112 N LEU A 7 4.886 11.576 7.151 1.00 0.00 N ATOM 113 CA LEU A 7 4.502 12.506 6.094 1.00 0.00 C ATOM 114 C LEU A 7 3.188 12.085 5.445 1.00 0.00 C ATOM 115 O LEU A 7 2.221 12.845 5.430 1.00 0.00 O ATOM 116 CB LEU A 7 5.604 12.588 5.035 1.00 0.00 C ATOM 117 CG LEU A 7 6.803 13.458 5.416 1.00 0.00 C ATOM 118 CD1 LEU A 7 7.872 12.624 6.105 1.00 0.00 C ATOM 119 CD2 LEU A 7 7.374 14.148 4.185 1.00 0.00 C ATOM 0 H LEU A 7 5.197 10.664 6.818 1.00 0.00 H new ATOM 0 HA LEU A 7 4.363 13.489 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.959 11.579 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.172 12.975 4.112 1.00 0.00 H new ATOM 0 HG LEU A 7 6.464 14.224 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.717 13.261 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.458 12.178 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.208 11.835 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.226 14.763 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.697 13.397 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.608 14.779 3.734 1.00 0.00 H new ATOM 131 N ASN A 8 3.160 10.868 4.907 1.00 0.00 N ATOM 132 CA ASN A 8 1.960 10.351 4.254 1.00 0.00 C ATOM 133 C ASN A 8 2.189 8.937 3.724 1.00 0.00 C ATOM 134 O ASN A 8 1.285 8.102 3.746 1.00 0.00 O ATOM 135 CB ASN A 8 1.536 11.274 3.110 1.00 0.00 C ATOM 136 CG ASN A 8 0.043 11.540 3.107 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.731 10.812 3.728 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.370 12.588 2.404 1.00 0.00 N ATOM 0 H ASN A 8 3.951 10.224 4.910 1.00 0.00 H new ATOM 0 HA ASN A 8 1.163 10.315 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.071 12.220 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.825 10.826 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.363 12.816 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.306 13.165 1.904 1.00 0.00 H new ATOM 145 N LEU A 9 3.407 8.670 3.260 1.00 0.00 N ATOM 146 CA LEU A 9 3.754 7.353 2.742 1.00 0.00 C ATOM 147 C LEU A 9 4.229 6.473 3.881 1.00 0.00 C ATOM 148 O LEU A 9 3.849 5.309 3.993 1.00 0.00 O ATOM 149 CB LEU A 9 4.844 7.458 1.675 1.00 0.00 C ATOM 150 CG LEU A 9 4.355 7.895 0.293 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.321 6.917 -0.242 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.780 9.302 0.353 1.00 0.00 C ATOM 0 H LEU A 9 4.168 9.348 3.233 1.00 0.00 H new ATOM 0 HA LEU A 9 2.869 6.913 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.599 8.165 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.334 6.489 1.581 1.00 0.00 H new ATOM 0 HG LEU A 9 5.206 7.900 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.985 7.245 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.766 5.925 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.470 6.879 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.437 9.597 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.941 9.323 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.550 9.995 0.692 1.00 0.00 H new ATOM 164 N LYS A 10 5.058 7.063 4.732 1.00 0.00 N ATOM 165 CA LYS A 10 5.600 6.381 5.895 1.00 0.00 C ATOM 166 C LYS A 10 4.502 5.619 6.626 1.00 0.00 C ATOM 167 O LYS A 10 4.717 4.522 7.140 1.00 0.00 O ATOM 168 CB LYS A 10 6.239 7.414 6.821 1.00 0.00 C ATOM 169 CG LYS A 10 7.697 7.128 7.143 1.00 0.00 C ATOM 170 CD LYS A 10 8.573 7.242 5.905 1.00 0.00 C ATOM 171 CE LYS A 10 8.878 8.693 5.571 1.00 0.00 C ATOM 172 NZ LYS A 10 10.226 8.853 4.962 1.00 0.00 N ATOM 0 H LYS A 10 5.372 8.028 4.634 1.00 0.00 H new ATOM 0 HA LYS A 10 6.354 5.661 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.165 8.398 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.672 7.455 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.047 7.826 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.788 6.127 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.505 6.701 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.073 6.770 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.122 9.073 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.816 9.295 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.394 9.857 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.950 8.514 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.278 8.300 4.083 1.00 0.00 H new ATOM 186 N GLN A 11 3.317 6.219 6.654 1.00 0.00 N ATOM 187 CA GLN A 11 2.162 5.620 7.304 1.00 0.00 C ATOM 188 C GLN A 11 1.659 4.428 6.497 1.00 0.00 C ATOM 189 O GLN A 11 1.262 3.406 7.056 1.00 0.00 O ATOM 190 CB GLN A 11 1.055 6.666 7.454 1.00 0.00 C ATOM 191 CG GLN A 11 -0.250 6.114 8.011 1.00 0.00 C ATOM 192 CD GLN A 11 -0.319 6.201 9.523 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.150 7.167 10.124 1.00 0.00 O ATOM 194 NE2 GLN A 11 -0.908 5.187 10.148 1.00 0.00 N ATOM 0 H GLN A 11 3.133 7.128 6.229 1.00 0.00 H new ATOM 0 HA GLN A 11 2.454 5.267 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.409 7.463 8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.861 7.116 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.087 6.664 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.361 5.074 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.283 4.406 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.985 5.190 11.165 1.00 0.00 H new ATOM 203 N ALA A 12 1.687 4.566 5.175 1.00 0.00 N ATOM 204 CA ALA A 12 1.241 3.504 4.283 1.00 0.00 C ATOM 205 C ALA A 12 2.265 2.376 4.227 1.00 0.00 C ATOM 206 O ALA A 12 1.909 1.199 4.283 1.00 0.00 O ATOM 207 CB ALA A 12 0.985 4.058 2.889 1.00 0.00 C ATOM 0 H ALA A 12 2.015 5.406 4.698 1.00 0.00 H new ATOM 0 HA ALA A 12 0.309 3.097 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.652 3.253 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.214 4.827 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.905 4.491 2.495 1.00 0.00 H new ATOM 213 N LYS A 13 3.539 2.745 4.118 1.00 0.00 N ATOM 214 CA LYS A 13 4.615 1.760 4.055 1.00 0.00 C ATOM 215 C LYS A 13 4.585 0.845 5.276 1.00 0.00 C ATOM 216 O LYS A 13 4.590 -0.381 5.147 1.00 0.00 O ATOM 217 CB LYS A 13 5.972 2.460 3.965 1.00 0.00 C ATOM 218 CG LYS A 13 6.062 3.463 2.825 1.00 0.00 C ATOM 219 CD LYS A 13 7.388 3.351 2.086 1.00 0.00 C ATOM 220 CE LYS A 13 7.791 4.675 1.458 1.00 0.00 C ATOM 221 NZ LYS A 13 8.849 5.366 2.247 1.00 0.00 N ATOM 0 H LYS A 13 3.850 3.715 4.072 1.00 0.00 H new ATOM 0 HA LYS A 13 4.466 1.153 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.171 2.973 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.752 1.709 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.241 3.297 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.948 4.473 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.164 3.024 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.310 2.589 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.150 4.501 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.916 5.321 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.095 6.265 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.498 5.555 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.693 4.761 2.300 1.00 0.00 H new ATOM 235 N GLU A 14 4.543 1.447 6.460 1.00 0.00 N ATOM 236 CA GLU A 14 4.505 0.684 7.704 1.00 0.00 C ATOM 237 C GLU A 14 3.213 -0.120 7.802 1.00 0.00 C ATOM 238 O GLU A 14 3.196 -1.228 8.334 1.00 0.00 O ATOM 239 CB GLU A 14 4.635 1.610 8.917 1.00 0.00 C ATOM 240 CG GLU A 14 5.964 2.346 8.984 1.00 0.00 C ATOM 241 CD GLU A 14 6.608 2.264 10.356 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.137 2.964 11.275 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.581 1.497 10.509 1.00 0.00 O ATOM 0 H GLU A 14 4.534 2.459 6.585 1.00 0.00 H new ATOM 0 HA GLU A 14 5.350 -0.005 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.826 2.340 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.509 1.023 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.644 1.928 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.809 3.392 8.721 1.00 0.00 H new ATOM 250 N GLU A 15 2.131 0.450 7.281 1.00 0.00 N ATOM 251 CA GLU A 15 0.832 -0.211 7.305 1.00 0.00 C ATOM 252 C GLU A 15 0.842 -1.452 6.419 1.00 0.00 C ATOM 253 O GLU A 15 0.334 -2.506 6.802 1.00 0.00 O ATOM 254 CB GLU A 15 -0.264 0.754 6.845 1.00 0.00 C ATOM 255 CG GLU A 15 -1.061 1.357 7.989 1.00 0.00 C ATOM 256 CD GLU A 15 -2.428 0.719 8.148 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.498 -0.528 8.200 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.427 1.463 8.220 1.00 0.00 O ATOM 0 H GLU A 15 2.129 1.368 6.837 1.00 0.00 H new ATOM 0 HA GLU A 15 0.624 -0.519 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.191 1.558 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.945 0.226 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.501 1.243 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.181 2.427 7.819 1.00 0.00 H new ATOM 265 N ALA A 16 1.424 -1.320 5.231 1.00 0.00 N ATOM 266 CA ALA A 16 1.503 -2.430 4.291 1.00 0.00 C ATOM 267 C ALA A 16 2.253 -3.610 4.902 1.00 0.00 C ATOM 268 O ALA A 16 1.861 -4.764 4.729 1.00 0.00 O ATOM 269 CB ALA A 16 2.177 -1.983 3.002 1.00 0.00 C ATOM 0 H ALA A 16 1.848 -0.454 4.897 1.00 0.00 H new ATOM 0 HA ALA A 16 0.488 -2.756 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.229 -2.822 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.600 -1.175 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.185 -1.631 3.222 1.00 0.00 H new ATOM 275 N ILE A 17 3.330 -3.310 5.621 1.00 0.00 N ATOM 276 CA ILE A 17 4.132 -4.347 6.265 1.00 0.00 C ATOM 277 C ILE A 17 3.448 -4.841 7.537 1.00 0.00 C ATOM 278 O ILE A 17 3.402 -6.040 7.802 1.00 0.00 O ATOM 279 CB ILE A 17 5.560 -3.836 6.588 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.389 -4.922 7.322 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.492 -2.558 7.415 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.207 -4.917 8.825 1.00 0.00 C ATOM 0 H ILE A 17 3.668 -2.360 5.773 1.00 0.00 H new ATOM 0 HA ILE A 17 4.221 -5.179 5.567 1.00 0.00 H new ATOM 0 HB ILE A 17 6.062 -3.613 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.110 -5.902 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.445 -4.777 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.502 -2.212 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.959 -1.790 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.966 -2.757 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.818 -5.704 9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.513 -3.951 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.158 -5.093 9.065 1.00 0.00 H new ATOM 294 N LYS A 18 2.908 -3.903 8.306 1.00 0.00 N ATOM 295 CA LYS A 18 2.213 -4.215 9.549 1.00 0.00 C ATOM 296 C LYS A 18 1.001 -5.090 9.273 1.00 0.00 C ATOM 297 O LYS A 18 0.810 -6.122 9.916 1.00 0.00 O ATOM 298 CB LYS A 18 1.779 -2.929 10.253 1.00 0.00 C ATOM 299 CG LYS A 18 1.076 -3.168 11.580 1.00 0.00 C ATOM 300 CD LYS A 18 0.558 -1.870 12.176 1.00 0.00 C ATOM 301 CE LYS A 18 -0.801 -1.496 11.605 1.00 0.00 C ATOM 302 NZ LYS A 18 -1.917 -2.061 12.413 1.00 0.00 N ATOM 0 H LYS A 18 2.939 -2.907 8.086 1.00 0.00 H new ATOM 0 HA LYS A 18 2.898 -4.759 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.656 -2.304 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.113 -2.371 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.246 -3.860 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.766 -3.641 12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.483 -1.970 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.270 -1.068 11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.893 -0.411 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.876 -1.858 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.826 -1.784 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.844 -3.098 12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.861 -1.696 13.385 1.00 0.00 H new ATOM 316 N GLU A 19 0.190 -4.688 8.299 1.00 0.00 N ATOM 317 CA GLU A 19 -0.986 -5.465 7.939 1.00 0.00 C ATOM 318 C GLU A 19 -0.551 -6.857 7.527 1.00 0.00 C ATOM 319 O GLU A 19 -1.116 -7.856 7.974 1.00 0.00 O ATOM 320 CB GLU A 19 -1.764 -4.788 6.808 1.00 0.00 C ATOM 321 CG GLU A 19 -2.274 -3.401 7.165 1.00 0.00 C ATOM 322 CD GLU A 19 -3.787 -3.312 7.144 1.00 0.00 C ATOM 323 OE1 GLU A 19 -4.398 -3.798 6.169 1.00 0.00 O ATOM 324 OE2 GLU A 19 -4.362 -2.759 8.105 1.00 0.00 O ATOM 0 H GLU A 19 0.325 -3.838 7.752 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.649 -5.530 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.122 -4.715 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.610 -5.417 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.912 -3.129 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.861 -2.675 6.464 1.00 0.00 H new ATOM 331 N LEU A 20 0.492 -6.919 6.705 1.00 0.00 N ATOM 332 CA LEU A 20 1.029 -8.192 6.283 1.00 0.00 C ATOM 333 C LEU A 20 1.498 -8.958 7.511 1.00 0.00 C ATOM 334 O LEU A 20 1.371 -10.181 7.584 1.00 0.00 O ATOM 335 CB LEU A 20 2.184 -7.981 5.315 1.00 0.00 C ATOM 336 CG LEU A 20 2.117 -8.851 4.066 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.258 -8.172 3.013 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.513 -9.139 3.538 1.00 0.00 C ATOM 0 H LEU A 20 0.974 -6.105 6.324 1.00 0.00 H new ATOM 0 HA LEU A 20 0.257 -8.765 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.205 -6.934 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.121 -8.182 5.835 1.00 0.00 H new ATOM 0 HG LEU A 20 1.659 -9.807 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.213 -8.798 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.251 -8.025 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.693 -7.206 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.443 -9.762 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.008 -8.201 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.090 -9.662 4.301 1.00 0.00 H new ATOM 350 N VAL A 21 2.023 -8.215 8.486 1.00 0.00 N ATOM 351 CA VAL A 21 2.488 -8.821 9.727 1.00 0.00 C ATOM 352 C VAL A 21 1.319 -9.467 10.457 1.00 0.00 C ATOM 353 O VAL A 21 1.468 -10.511 11.093 1.00 0.00 O ATOM 354 CB VAL A 21 3.187 -7.818 10.677 1.00 0.00 C ATOM 355 CG1 VAL A 21 3.641 -8.521 11.949 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.369 -7.158 9.984 1.00 0.00 C ATOM 0 H VAL A 21 2.135 -7.202 8.439 1.00 0.00 H new ATOM 0 HA VAL A 21 3.230 -9.568 9.445 1.00 0.00 H new ATOM 0 HB VAL A 21 2.470 -7.042 10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.131 -7.803 12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.776 -8.948 12.457 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.342 -9.316 11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.847 -6.457 10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.088 -7.921 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.020 -6.623 9.101 1.00 0.00 H new ATOM 366 N ASP A 22 0.146 -8.838 10.357 1.00 0.00 N ATOM 367 CA ASP A 22 -1.053 -9.355 11.006 1.00 0.00 C ATOM 368 C ASP A 22 -1.509 -10.659 10.355 1.00 0.00 C ATOM 369 O ASP A 22 -2.214 -11.455 10.971 1.00 0.00 O ATOM 370 CB ASP A 22 -2.177 -8.320 10.945 1.00 0.00 C ATOM 371 CG ASP A 22 -3.001 -8.285 12.218 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.498 -7.765 13.236 1.00 0.00 O ATOM 373 OD2 ASP A 22 -4.148 -8.778 12.195 1.00 0.00 O ATOM 0 H ASP A 22 0.004 -7.974 9.834 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.811 -9.558 12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.749 -7.334 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.828 -8.544 10.100 1.00 0.00 H new ATOM 378 N ALA A 23 -1.105 -10.869 9.103 1.00 0.00 N ATOM 379 CA ALA A 23 -1.481 -12.077 8.376 1.00 0.00 C ATOM 380 C ALA A 23 -0.275 -12.718 7.691 1.00 0.00 C ATOM 381 O ALA A 23 0.327 -13.652 8.223 1.00 0.00 O ATOM 382 CB ALA A 23 -2.566 -11.758 7.358 1.00 0.00 C ATOM 0 H ALA A 23 -0.521 -10.221 8.575 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.870 -12.796 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.839 -12.666 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.442 -11.363 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.195 -11.016 6.651 1.00 0.00 H new ATOM 388 N GLY A 24 0.067 -12.218 6.508 1.00 0.00 N ATOM 389 CA GLY A 24 1.193 -12.757 5.766 1.00 0.00 C ATOM 390 C GLY A 24 1.024 -12.582 4.270 1.00 0.00 C ATOM 391 O GLY A 24 1.612 -11.680 3.676 1.00 0.00 O ATOM 0 H GLY A 24 -0.417 -11.447 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.109 -12.262 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.305 -13.816 5.997 1.00 0.00 H new ATOM 395 N THR A 25 0.209 -13.442 3.664 1.00 0.00 N ATOM 396 CA THR A 25 -0.062 -13.384 2.225 1.00 0.00 C ATOM 397 C THR A 25 1.206 -13.128 1.407 1.00 0.00 C ATOM 398 O THR A 25 2.315 -13.101 1.939 1.00 0.00 O ATOM 399 CB THR A 25 -1.118 -12.304 1.942 1.00 0.00 C ATOM 400 OG1 THR A 25 -1.887 -12.640 0.797 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.543 -10.913 1.732 1.00 0.00 C ATOM 0 H THR A 25 -0.280 -14.194 4.150 1.00 0.00 H new ATOM 0 HA THR A 25 -0.444 -14.357 1.916 1.00 0.00 H new ATOM 0 HB THR A 25 -1.736 -12.275 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.841 -12.563 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.353 -10.210 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.001 -10.605 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.138 -10.926 0.881 1.00 0.00 H new ATOM 409 N ALA A 26 1.026 -12.946 0.103 1.00 0.00 N ATOM 410 CA ALA A 26 2.139 -12.690 -0.797 1.00 0.00 C ATOM 411 C ALA A 26 2.769 -11.333 -0.519 1.00 0.00 C ATOM 412 O ALA A 26 2.282 -10.304 -0.989 1.00 0.00 O ATOM 413 CB ALA A 26 1.667 -12.767 -2.240 1.00 0.00 C ATOM 0 H ALA A 26 0.114 -12.972 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 26 2.899 -13.453 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.506 -12.574 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.266 -13.761 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.890 -12.021 -2.409 1.00 0.00 H new ATOM 419 N GLU A 27 3.856 -11.335 0.244 1.00 0.00 N ATOM 420 CA GLU A 27 4.552 -10.089 0.582 1.00 0.00 C ATOM 421 C GLU A 27 4.966 -9.344 -0.682 1.00 0.00 C ATOM 422 O GLU A 27 5.060 -8.117 -0.684 1.00 0.00 O ATOM 423 CB GLU A 27 5.787 -10.351 1.458 1.00 0.00 C ATOM 424 CG GLU A 27 6.523 -9.083 1.858 1.00 0.00 C ATOM 425 CD GLU A 27 7.249 -9.222 3.180 1.00 0.00 C ATOM 426 OE1 GLU A 27 8.023 -10.191 3.335 1.00 0.00 O ATOM 427 OE2 GLU A 27 7.046 -8.362 4.063 1.00 0.00 O ATOM 0 H GLU A 27 4.276 -12.176 0.640 1.00 0.00 H new ATOM 0 HA GLU A 27 3.855 -9.473 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.479 -10.883 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.473 -11.006 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.240 -8.823 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.811 -8.260 1.923 1.00 0.00 H new ATOM 434 N LYS A 28 5.216 -10.091 -1.757 1.00 0.00 N ATOM 435 CA LYS A 28 5.617 -9.495 -3.028 1.00 0.00 C ATOM 436 C LYS A 28 4.734 -8.305 -3.379 1.00 0.00 C ATOM 437 O LYS A 28 5.210 -7.291 -3.895 1.00 0.00 O ATOM 438 CB LYS A 28 5.545 -10.535 -4.143 1.00 0.00 C ATOM 439 CG LYS A 28 6.831 -11.345 -4.308 1.00 0.00 C ATOM 440 CD LYS A 28 6.684 -12.746 -3.742 1.00 0.00 C ATOM 441 CE LYS A 28 7.938 -13.182 -2.997 1.00 0.00 C ATOM 442 NZ LYS A 28 7.615 -13.979 -1.783 1.00 0.00 N ATOM 0 H LYS A 28 5.148 -11.109 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 28 6.644 -9.144 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.719 -11.217 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.319 -10.032 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.092 -11.404 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.652 -10.833 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.829 -12.779 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.478 -13.447 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.568 -13.773 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.514 -12.302 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.496 -14.256 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.035 -13.407 -1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.087 -14.832 -2.058 1.00 0.00 H new ATOM 456 N TYR A 29 3.444 -8.421 -3.081 1.00 0.00 N ATOM 457 CA TYR A 29 2.507 -7.342 -3.352 1.00 0.00 C ATOM 458 C TYR A 29 2.958 -6.072 -2.637 1.00 0.00 C ATOM 459 O TYR A 29 2.836 -4.965 -3.165 1.00 0.00 O ATOM 460 CB TYR A 29 1.097 -7.739 -2.912 1.00 0.00 C ATOM 461 CG TYR A 29 0.134 -7.912 -4.050 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.160 -6.870 -4.917 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.483 -9.132 -4.254 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.047 -7.046 -5.958 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.366 -9.317 -5.286 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.649 -8.274 -6.141 1.00 0.00 C ATOM 467 OH TYR A 29 -2.536 -8.456 -7.178 1.00 0.00 O ATOM 0 H TYR A 29 3.027 -9.248 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 29 2.487 -7.150 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.151 -8.671 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.710 -6.979 -2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.312 -5.909 -4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.265 -9.954 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.269 -6.227 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.839 -10.278 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.869 -9.378 -7.166 1.00 0.00 H new ATOM 477 N ILE A 30 3.508 -6.248 -1.437 1.00 0.00 N ATOM 478 CA ILE A 30 4.006 -5.126 -0.658 1.00 0.00 C ATOM 479 C ILE A 30 5.187 -4.498 -1.371 1.00 0.00 C ATOM 480 O ILE A 30 5.314 -3.278 -1.437 1.00 0.00 O ATOM 481 CB ILE A 30 4.420 -5.554 0.763 1.00 0.00 C ATOM 482 CG1 ILE A 30 3.268 -6.299 1.445 1.00 0.00 C ATOM 483 CG2 ILE A 30 4.836 -4.345 1.585 1.00 0.00 C ATOM 484 CD1 ILE A 30 1.899 -5.899 0.932 1.00 0.00 C ATOM 0 H ILE A 30 3.618 -7.157 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 30 3.199 -4.399 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 30 5.275 -6.226 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.403 -7.371 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.313 -6.115 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.125 -4.667 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.681 -3.852 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.001 -3.648 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.133 -6.467 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.744 -4.834 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.835 -6.109 -0.136 1.00 0.00 H new ATOM 496 N LYS A 31 6.032 -5.343 -1.944 1.00 0.00 N ATOM 497 CA LYS A 31 7.177 -4.861 -2.698 1.00 0.00 C ATOM 498 C LYS A 31 6.700 -3.838 -3.722 1.00 0.00 C ATOM 499 O LYS A 31 7.412 -2.895 -4.065 1.00 0.00 O ATOM 500 CB LYS A 31 7.897 -6.019 -3.391 1.00 0.00 C ATOM 501 CG LYS A 31 9.101 -5.583 -4.209 1.00 0.00 C ATOM 502 CD LYS A 31 10.399 -5.787 -3.442 1.00 0.00 C ATOM 503 CE LYS A 31 11.603 -5.386 -4.273 1.00 0.00 C ATOM 504 NZ LYS A 31 11.999 -6.460 -5.223 1.00 0.00 N ATOM 0 H LYS A 31 5.946 -6.359 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 31 7.886 -4.391 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.221 -6.738 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.193 -6.536 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.134 -6.149 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.998 -4.532 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.377 -5.200 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.490 -6.833 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.375 -4.476 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.440 -5.157 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.825 -6.149 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.240 -7.321 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.209 -6.661 -5.869 1.00 0.00 H new ATOM 518 N LEU A 32 5.467 -4.036 -4.190 1.00 0.00 N ATOM 519 CA LEU A 32 4.851 -3.138 -5.158 1.00 0.00 C ATOM 520 C LEU A 32 4.406 -1.839 -4.487 1.00 0.00 C ATOM 521 O LEU A 32 4.415 -0.777 -5.109 1.00 0.00 O ATOM 522 CB LEU A 32 3.647 -3.818 -5.821 1.00 0.00 C ATOM 523 CG LEU A 32 3.544 -3.620 -7.334 1.00 0.00 C ATOM 524 CD1 LEU A 32 3.440 -2.141 -7.672 1.00 0.00 C ATOM 525 CD2 LEU A 32 4.740 -4.249 -8.036 1.00 0.00 C ATOM 0 H LEU A 32 4.874 -4.817 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 32 5.593 -2.900 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.692 -4.887 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.735 -3.441 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 32 2.640 -4.116 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.368 -2.019 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.552 -1.721 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.326 -1.621 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.651 -4.099 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.658 -3.782 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.768 -5.317 -7.820 1.00 0.00 H new ATOM 537 N ILE A 33 4.015 -1.927 -3.214 1.00 0.00 N ATOM 538 CA ILE A 33 3.568 -0.743 -2.480 1.00 0.00 C ATOM 539 C ILE A 33 4.698 0.273 -2.339 1.00 0.00 C ATOM 540 O ILE A 33 4.455 1.479 -2.277 1.00 0.00 O ATOM 541 CB ILE A 33 2.994 -1.089 -1.079 1.00 0.00 C ATOM 542 CG1 ILE A 33 4.109 -1.361 -0.059 1.00 0.00 C ATOM 543 CG2 ILE A 33 2.046 -2.276 -1.162 1.00 0.00 C ATOM 544 CD1 ILE A 33 4.142 -0.360 1.076 1.00 0.00 C ATOM 0 H ILE A 33 3.999 -2.794 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 33 2.761 -0.306 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 33 2.435 -0.220 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.979 -2.362 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.071 -1.350 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.656 -2.500 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.219 -2.035 -1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.582 -3.144 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.953 -0.611 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.303 0.640 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.194 -0.387 1.613 1.00 0.00 H new ATOM 556 N ALA A 34 5.933 -0.218 -2.293 1.00 0.00 N ATOM 557 CA ALA A 34 7.096 0.655 -2.165 1.00 0.00 C ATOM 558 C ALA A 34 7.140 1.669 -3.306 1.00 0.00 C ATOM 559 O ALA A 34 7.539 2.818 -3.115 1.00 0.00 O ATOM 560 CB ALA A 34 8.375 -0.169 -2.138 1.00 0.00 C ATOM 0 H ALA A 34 6.154 -1.213 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 34 7.012 1.202 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.234 0.495 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.349 -0.853 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.459 -0.740 -3.063 1.00 0.00 H new ATOM 566 N ASN A 35 6.722 1.231 -4.488 1.00 0.00 N ATOM 567 CA ASN A 35 6.702 2.095 -5.665 1.00 0.00 C ATOM 568 C ASN A 35 5.358 2.811 -5.800 1.00 0.00 C ATOM 569 O ASN A 35 5.166 3.618 -6.708 1.00 0.00 O ATOM 570 CB ASN A 35 6.986 1.271 -6.922 1.00 0.00 C ATOM 571 CG ASN A 35 8.128 1.850 -7.743 1.00 0.00 C ATOM 572 OD1 ASN A 35 8.021 1.993 -8.956 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.223 2.178 -7.068 1.00 0.00 N ATOM 0 H ASN A 35 6.392 0.281 -4.658 1.00 0.00 H new ATOM 0 HA ASN A 35 7.478 2.851 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.229 0.248 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.086 1.226 -7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.027 2.569 -7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.261 2.039 -6.058 1.00 0.00 H new ATOM 580 N ALA A 36 4.429 2.502 -4.893 1.00 0.00 N ATOM 581 CA ALA A 36 3.097 3.105 -4.901 1.00 0.00 C ATOM 582 C ALA A 36 3.142 4.594 -5.241 1.00 0.00 C ATOM 583 O ALA A 36 2.212 5.130 -5.844 1.00 0.00 O ATOM 584 CB ALA A 36 2.421 2.894 -3.556 1.00 0.00 C ATOM 0 H ALA A 36 4.578 1.832 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 36 2.518 2.611 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.430 3.347 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.329 1.826 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.019 3.358 -2.772 1.00 0.00 H new ATOM 590 N LYS A 37 4.227 5.256 -4.849 1.00 0.00 N ATOM 591 CA LYS A 37 4.389 6.681 -5.107 1.00 0.00 C ATOM 592 C LYS A 37 3.398 7.500 -4.284 1.00 0.00 C ATOM 593 O LYS A 37 3.780 8.186 -3.336 1.00 0.00 O ATOM 594 CB LYS A 37 4.205 6.979 -6.596 1.00 0.00 C ATOM 595 CG LYS A 37 5.179 8.020 -7.133 1.00 0.00 C ATOM 596 CD LYS A 37 4.464 9.297 -7.545 1.00 0.00 C ATOM 597 CE LYS A 37 5.257 10.531 -7.149 1.00 0.00 C ATOM 598 NZ LYS A 37 6.553 10.615 -7.880 1.00 0.00 N ATOM 0 H LYS A 37 5.007 4.827 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 37 5.399 6.964 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.326 6.055 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.186 7.325 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.924 8.249 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.715 7.610 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.306 9.295 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.479 9.331 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.666 11.424 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.446 10.513 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.042 11.496 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.148 9.801 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.375 10.607 -8.905 1.00 0.00 H new ATOM 612 N THR A 38 2.123 7.413 -4.646 1.00 0.00 N ATOM 613 CA THR A 38 1.078 8.139 -3.933 1.00 0.00 C ATOM 614 C THR A 38 0.704 7.406 -2.650 1.00 0.00 C ATOM 615 O THR A 38 1.272 6.362 -2.336 1.00 0.00 O ATOM 616 CB THR A 38 -0.156 8.305 -4.820 1.00 0.00 C ATOM 617 OG1 THR A 38 -0.649 7.044 -5.235 1.00 0.00 O ATOM 618 CG2 THR A 38 0.104 9.124 -6.057 1.00 0.00 C ATOM 0 H THR A 38 1.788 6.849 -5.427 1.00 0.00 H new ATOM 0 HA THR A 38 1.460 9.127 -3.675 1.00 0.00 H new ATOM 0 HB THR A 38 -0.885 8.831 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.439 7.172 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.813 9.202 -6.641 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.437 10.121 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.876 8.642 -6.657 1.00 0.00 H new ATOM 626 N VAL A 39 -0.250 7.959 -1.908 1.00 0.00 N ATOM 627 CA VAL A 39 -0.690 7.351 -0.657 1.00 0.00 C ATOM 628 C VAL A 39 -1.821 6.351 -0.891 1.00 0.00 C ATOM 629 O VAL A 39 -1.800 5.240 -0.361 1.00 0.00 O ATOM 630 CB VAL A 39 -1.158 8.416 0.356 1.00 0.00 C ATOM 631 CG1 VAL A 39 -0.015 9.357 0.708 1.00 0.00 C ATOM 632 CG2 VAL A 39 -2.350 9.193 -0.186 1.00 0.00 C ATOM 0 H VAL A 39 -0.732 8.825 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 39 0.172 6.825 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.474 7.906 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.364 10.101 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.803 8.787 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.335 9.858 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.662 9.938 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.068 9.691 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.174 8.507 -0.379 1.00 0.00 H new ATOM 642 N GLU A 40 -2.808 6.752 -1.686 1.00 0.00 N ATOM 643 CA GLU A 40 -3.950 5.893 -1.985 1.00 0.00 C ATOM 644 C GLU A 40 -3.504 4.582 -2.627 1.00 0.00 C ATOM 645 O GLU A 40 -3.970 3.506 -2.248 1.00 0.00 O ATOM 646 CB GLU A 40 -4.930 6.619 -2.909 1.00 0.00 C ATOM 647 CG GLU A 40 -6.202 7.071 -2.210 1.00 0.00 C ATOM 648 CD GLU A 40 -6.932 8.158 -2.975 1.00 0.00 C ATOM 649 OE1 GLU A 40 -6.431 9.301 -3.006 1.00 0.00 O ATOM 650 OE2 GLU A 40 -8.006 7.865 -3.543 1.00 0.00 O ATOM 0 H GLU A 40 -2.841 7.667 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.448 5.659 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.434 7.488 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.194 5.959 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.865 6.215 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.954 7.437 -1.213 1.00 0.00 H new ATOM 657 N GLY A 41 -2.607 4.677 -3.601 1.00 0.00 N ATOM 658 CA GLY A 41 -2.123 3.491 -4.284 1.00 0.00 C ATOM 659 C GLY A 41 -1.512 2.472 -3.340 1.00 0.00 C ATOM 660 O GLY A 41 -1.523 1.272 -3.620 1.00 0.00 O ATOM 0 H GLY A 41 -2.205 5.555 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.948 3.028 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.379 3.783 -5.025 1.00 0.00 H new ATOM 664 N VAL A 42 -0.974 2.947 -2.221 1.00 0.00 N ATOM 665 CA VAL A 42 -0.355 2.059 -1.241 1.00 0.00 C ATOM 666 C VAL A 42 -1.416 1.334 -0.420 1.00 0.00 C ATOM 667 O VAL A 42 -1.405 0.106 -0.319 1.00 0.00 O ATOM 668 CB VAL A 42 0.597 2.814 -0.276 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.805 1.959 0.079 1.00 0.00 C ATOM 670 CG2 VAL A 42 1.050 4.142 -0.865 1.00 0.00 C ATOM 0 H VAL A 42 -0.954 3.936 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 42 0.233 1.339 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 42 0.036 3.020 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.456 2.512 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.472 1.042 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.354 1.710 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.715 4.644 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.579 3.963 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.181 4.772 -1.054 1.00 0.00 H new ATOM 680 N TRP A 43 -2.335 2.098 0.164 1.00 0.00 N ATOM 681 CA TRP A 43 -3.406 1.522 0.971 1.00 0.00 C ATOM 682 C TRP A 43 -4.207 0.507 0.161 1.00 0.00 C ATOM 683 O TRP A 43 -4.764 -0.442 0.712 1.00 0.00 O ATOM 684 CB TRP A 43 -4.336 2.620 1.493 1.00 0.00 C ATOM 685 CG TRP A 43 -4.084 2.988 2.928 1.00 0.00 C ATOM 686 CD1 TRP A 43 -4.722 2.473 4.021 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.139 3.947 3.432 1.00 0.00 C ATOM 688 NE1 TRP A 43 -4.238 3.048 5.168 1.00 0.00 N ATOM 689 CE2 TRP A 43 -3.267 3.956 4.836 1.00 0.00 C ATOM 690 CE3 TRP A 43 -2.198 4.801 2.841 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -2.494 4.778 5.652 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -1.433 5.615 3.655 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.584 5.599 5.045 1.00 0.00 C ATOM 0 H TRP A 43 -2.360 3.115 0.094 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.950 1.012 1.820 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.220 3.509 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.370 2.290 1.387 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.496 1.721 3.987 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.550 2.834 6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.073 4.823 1.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.609 4.768 6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.705 6.276 3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.970 6.248 5.651 1.00 0.00 H new ATOM 704 N THR A 44 -4.265 0.719 -1.150 1.00 0.00 N ATOM 705 CA THR A 44 -5.001 -0.172 -2.039 1.00 0.00 C ATOM 706 C THR A 44 -4.262 -1.493 -2.234 1.00 0.00 C ATOM 707 O THR A 44 -4.851 -2.565 -2.114 1.00 0.00 O ATOM 708 CB THR A 44 -5.231 0.501 -3.392 1.00 0.00 C ATOM 709 OG1 THR A 44 -5.781 1.796 -3.222 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.161 -0.277 -4.299 1.00 0.00 C ATOM 0 H THR A 44 -3.810 1.501 -1.620 1.00 0.00 H new ATOM 0 HA THR A 44 -5.964 -0.385 -1.576 1.00 0.00 H new ATOM 0 HB THR A 44 -4.248 0.548 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.068 2.426 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.280 0.257 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.740 -1.264 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.133 -0.385 -3.817 1.00 0.00 H new ATOM 718 N LEU A 45 -2.972 -1.406 -2.543 1.00 0.00 N ATOM 719 CA LEU A 45 -2.156 -2.605 -2.761 1.00 0.00 C ATOM 720 C LEU A 45 -2.244 -3.567 -1.573 1.00 0.00 C ATOM 721 O LEU A 45 -2.532 -4.752 -1.747 1.00 0.00 O ATOM 722 CB LEU A 45 -0.697 -2.223 -3.035 1.00 0.00 C ATOM 723 CG LEU A 45 -0.443 -1.580 -4.401 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.018 -1.186 -4.547 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.870 -2.512 -5.525 1.00 0.00 C ATOM 0 H LEU A 45 -2.468 -0.526 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.553 -3.120 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.365 -1.534 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.081 -3.118 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.046 -0.674 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.176 -0.731 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.282 -0.471 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.645 -2.073 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.680 -2.034 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.302 -3.441 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.934 -2.730 -5.432 1.00 0.00 H new ATOM 736 N LYS A 46 -1.997 -3.056 -0.366 1.00 0.00 N ATOM 737 CA LYS A 46 -2.053 -3.882 0.840 1.00 0.00 C ATOM 738 C LYS A 46 -3.453 -4.461 1.047 1.00 0.00 C ATOM 739 O LYS A 46 -3.620 -5.672 1.205 1.00 0.00 O ATOM 740 CB LYS A 46 -1.636 -3.062 2.067 1.00 0.00 C ATOM 741 CG LYS A 46 -2.453 -1.797 2.268 1.00 0.00 C ATOM 742 CD LYS A 46 -1.803 -0.871 3.285 1.00 0.00 C ATOM 743 CE LYS A 46 -2.846 -0.103 4.082 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.320 -0.873 5.264 1.00 0.00 N ATOM 0 H LYS A 46 -1.757 -2.079 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.357 -4.711 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.725 -3.686 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.584 -2.792 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.560 -1.276 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.457 -2.060 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.180 -1.454 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.145 -0.169 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.424 0.846 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.694 0.132 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.252 -0.518 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.396 -1.880 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.644 -0.760 6.046 1.00 0.00 H new ATOM 758 N ASP A 47 -4.457 -3.587 1.047 1.00 0.00 N ATOM 759 CA ASP A 47 -5.839 -4.011 1.238 1.00 0.00 C ATOM 760 C ASP A 47 -6.292 -4.917 0.098 1.00 0.00 C ATOM 761 O ASP A 47 -7.133 -5.796 0.287 1.00 0.00 O ATOM 762 CB ASP A 47 -6.760 -2.793 1.334 1.00 0.00 C ATOM 763 CG ASP A 47 -6.872 -2.266 2.751 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.266 -3.043 3.646 1.00 0.00 O ATOM 765 OD2 ASP A 47 -6.566 -1.074 2.967 1.00 0.00 O ATOM 0 H ASP A 47 -4.338 -2.582 0.917 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.895 -4.574 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.383 -2.003 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.752 -3.060 0.969 1.00 0.00 H new ATOM 770 N GLU A 48 -5.728 -4.697 -1.084 1.00 0.00 N ATOM 771 CA GLU A 48 -6.071 -5.493 -2.255 1.00 0.00 C ATOM 772 C GLU A 48 -5.722 -6.957 -2.024 1.00 0.00 C ATOM 773 O GLU A 48 -6.419 -7.855 -2.496 1.00 0.00 O ATOM 774 CB GLU A 48 -5.337 -4.967 -3.491 1.00 0.00 C ATOM 775 CG GLU A 48 -6.149 -3.968 -4.298 1.00 0.00 C ATOM 776 CD GLU A 48 -6.799 -4.595 -5.517 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.164 -5.467 -6.146 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.944 -4.215 -5.840 1.00 0.00 O ATOM 0 H GLU A 48 -5.030 -3.973 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.145 -5.412 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.405 -4.497 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.070 -5.808 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.921 -3.534 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.501 -3.151 -4.616 1.00 0.00 H new ATOM 785 N ILE A 49 -4.639 -7.192 -1.290 1.00 0.00 N ATOM 786 CA ILE A 49 -4.205 -8.550 -0.994 1.00 0.00 C ATOM 787 C ILE A 49 -5.079 -9.171 0.088 1.00 0.00 C ATOM 788 O ILE A 49 -5.332 -10.376 0.079 1.00 0.00 O ATOM 789 CB ILE A 49 -2.734 -8.605 -0.532 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.865 -7.638 -1.339 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.202 -10.024 -0.658 1.00 0.00 C ATOM 792 CD1 ILE A 49 -0.943 -6.806 -0.476 1.00 0.00 C ATOM 0 H ILE A 49 -4.049 -6.462 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.299 -9.113 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.693 -8.300 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.269 -8.205 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.510 -6.975 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.163 -10.054 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.798 -10.693 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.263 -10.344 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.354 -6.141 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.534 -6.213 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.275 -7.463 0.081 1.00 0.00 H new ATOM 804 N LYS A 50 -5.537 -8.341 1.023 1.00 0.00 N ATOM 805 CA LYS A 50 -6.384 -8.818 2.110 1.00 0.00 C ATOM 806 C LYS A 50 -7.736 -9.289 1.584 1.00 0.00 C ATOM 807 O LYS A 50 -8.267 -10.306 2.028 1.00 0.00 O ATOM 808 CB LYS A 50 -6.588 -7.719 3.154 1.00 0.00 C ATOM 809 CG LYS A 50 -5.293 -7.083 3.636 1.00 0.00 C ATOM 810 CD LYS A 50 -4.312 -8.128 4.144 1.00 0.00 C ATOM 811 CE LYS A 50 -3.616 -7.671 5.417 1.00 0.00 C ATOM 812 NZ LYS A 50 -4.041 -8.470 6.600 1.00 0.00 N ATOM 0 H LYS A 50 -5.337 -7.341 1.049 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.880 -9.664 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.228 -6.944 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.117 -8.138 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.837 -6.521 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.511 -6.370 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.840 -9.062 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.567 -8.333 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.537 -7.755 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.835 -6.618 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.323 -8.391 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.951 -8.111 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.146 -9.468 6.326 1.00 0.00 H new ATOM 826 N THR A 51 -8.288 -8.541 0.633 1.00 0.00 N ATOM 827 CA THR A 51 -9.581 -8.882 0.047 1.00 0.00 C ATOM 828 C THR A 51 -9.472 -10.125 -0.831 1.00 0.00 C ATOM 829 O THR A 51 -10.373 -10.964 -0.849 1.00 0.00 O ATOM 830 CB THR A 51 -10.116 -7.709 -0.775 1.00 0.00 C ATOM 831 OG1 THR A 51 -10.153 -6.526 0.004 1.00 0.00 O ATOM 832 CG2 THR A 51 -11.510 -7.946 -1.315 1.00 0.00 C ATOM 0 H THR A 51 -7.861 -7.696 0.252 1.00 0.00 H new ATOM 0 HA THR A 51 -10.275 -9.095 0.860 1.00 0.00 H new ATOM 0 HB THR A 51 -9.429 -7.607 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.240 -6.197 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.831 -7.076 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.506 -8.825 -1.960 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.199 -8.108 -0.486 1.00 0.00 H new ATOM 840 N PHE A 52 -8.364 -10.238 -1.557 1.00 0.00 N ATOM 841 CA PHE A 52 -8.133 -11.367 -2.430 1.00 0.00 C ATOM 842 C PHE A 52 -6.707 -11.303 -2.976 1.00 0.00 C ATOM 843 O PHE A 52 -5.965 -10.370 -2.674 1.00 0.00 O ATOM 844 CB PHE A 52 -9.151 -11.363 -3.578 1.00 0.00 C ATOM 845 CG PHE A 52 -9.413 -12.718 -4.179 1.00 0.00 C ATOM 846 CD1 PHE A 52 -9.999 -13.727 -3.430 1.00 0.00 C ATOM 847 CD2 PHE A 52 -9.077 -12.977 -5.499 1.00 0.00 C ATOM 848 CE1 PHE A 52 -10.242 -14.969 -3.986 1.00 0.00 C ATOM 849 CE2 PHE A 52 -9.317 -14.219 -6.059 1.00 0.00 C ATOM 850 CZ PHE A 52 -9.900 -15.216 -5.301 1.00 0.00 C ATOM 0 H PHE A 52 -7.610 -9.551 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.256 -12.293 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.092 -10.953 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.795 -10.694 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.269 -13.541 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.623 -12.200 -6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.699 -15.746 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.049 -14.409 -7.088 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.088 -16.187 -5.736 1.00 0.00 H new ATOM 860 N THR A 53 -6.329 -12.287 -3.776 1.00 0.00 N ATOM 861 CA THR A 53 -4.991 -12.329 -4.355 1.00 0.00 C ATOM 862 C THR A 53 -5.023 -12.920 -5.763 1.00 0.00 C ATOM 863 O THR A 53 -5.050 -12.187 -6.751 1.00 0.00 O ATOM 864 CB THR A 53 -4.051 -13.139 -3.461 1.00 0.00 C ATOM 865 OG1 THR A 53 -4.596 -14.418 -3.190 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.765 -12.473 -2.133 1.00 0.00 C ATOM 0 H THR A 53 -6.928 -13.069 -4.041 1.00 0.00 H new ATOM 0 HA THR A 53 -4.618 -11.307 -4.424 1.00 0.00 H new ATOM 0 HB THR A 53 -3.118 -13.216 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.980 -14.922 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.092 -13.101 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.298 -11.503 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.698 -12.335 -1.587 1.00 0.00 H new ATOM 874 N VAL A 54 -5.020 -14.249 -5.849 1.00 0.00 N ATOM 875 CA VAL A 54 -5.050 -14.928 -7.133 1.00 0.00 C ATOM 876 C VAL A 54 -5.418 -16.397 -6.964 1.00 0.00 C ATOM 877 O VAL A 54 -5.101 -17.017 -5.947 1.00 0.00 O ATOM 878 CB VAL A 54 -3.692 -14.831 -7.855 1.00 0.00 C ATOM 879 CG1 VAL A 54 -3.559 -13.504 -8.582 1.00 0.00 C ATOM 880 CG2 VAL A 54 -2.546 -15.024 -6.872 1.00 0.00 C ATOM 0 H VAL A 54 -4.997 -14.873 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.808 -14.430 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.644 -15.629 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.592 -13.459 -9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.356 -13.412 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.633 -12.687 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.596 -14.952 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.592 -14.253 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.628 -16.006 -6.406 1.00 0.00 H new ATOM 890 N THR A 55 -6.081 -16.962 -7.973 1.00 0.00 N ATOM 891 CA THR A 55 -6.489 -18.360 -7.933 1.00 0.00 C ATOM 892 C THR A 55 -6.025 -19.099 -9.187 1.00 0.00 C ATOM 893 O THR A 55 -6.054 -18.546 -10.287 1.00 0.00 O ATOM 894 CB THR A 55 -8.008 -18.468 -7.796 1.00 0.00 C ATOM 895 OG1 THR A 55 -8.658 -17.712 -8.804 1.00 0.00 O ATOM 896 CG2 THR A 55 -8.523 -17.983 -6.458 1.00 0.00 C ATOM 0 H THR A 55 -6.345 -16.470 -8.827 1.00 0.00 H new ATOM 0 HA THR A 55 -6.020 -18.824 -7.065 1.00 0.00 H new ATOM 0 HB THR A 55 -8.232 -19.530 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.629 -17.795 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.608 -18.087 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.078 -18.577 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.255 -16.935 -6.323 1.00 0.00 H new ATOM 904 N GLU A 56 -5.603 -20.343 -9.010 1.00 0.00 N ATOM 905 CA GLU A 56 -5.131 -21.161 -10.128 1.00 0.00 C ATOM 906 C GLU A 56 -5.856 -22.500 -10.165 1.00 0.00 C ATOM 907 O GLU A 56 -6.879 -22.641 -9.463 1.00 0.00 O ATOM 908 CB GLU A 56 -3.625 -21.379 -10.020 1.00 0.00 C ATOM 909 CG GLU A 56 -3.187 -21.979 -8.693 1.00 0.00 C ATOM 910 CD GLU A 56 -1.690 -21.890 -8.476 1.00 0.00 C ATOM 911 OE1 GLU A 56 -1.093 -20.868 -8.876 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.117 -22.834 -7.904 1.00 0.00 O ATOM 913 OXT GLU A 56 -5.397 -23.397 -10.896 1.00 0.00 O ATOM 0 H GLU A 56 -5.576 -20.812 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.347 -20.631 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.303 -22.035 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.118 -20.425 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.699 -21.464 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.494 -23.024 -8.653 1.00 0.00 H new TER 920 GLU A 56