USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 366 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -1.57 (180deg=-1.72!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -6.62! C(o=-6.6!,f=-6.3!) USER MOD Single : A 26 SER OG : rot 56:sc= 1.19 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.052 X(o=0.052,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.0237 (180deg=-0.358) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -30.634 2.585 -0.857 1.00 0.00 N ATOM 2 CA ALA A 1 -31.899 2.172 -0.194 1.00 0.00 C ATOM 3 C ALA A 1 -32.256 0.731 -0.543 1.00 0.00 C ATOM 4 O ALA A 1 -32.781 0.455 -1.621 1.00 0.00 O ATOM 5 CB ALA A 1 -33.033 3.106 -0.592 1.00 0.00 C ATOM 0 H1 ALA A 1 -30.414 3.569 -0.603 1.00 0.00 H new ATOM 0 H2 ALA A 1 -29.860 1.965 -0.544 1.00 0.00 H new ATOM 0 H3 ALA A 1 -30.742 2.510 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.751 2.234 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -33.953 2.792 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -32.789 4.124 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -33.170 3.072 -1.673 1.00 0.00 H new ATOM 13 N LYS A 2 -31.970 -0.185 0.377 1.00 0.00 N ATOM 14 CA LYS A 2 -32.264 -1.597 0.164 1.00 0.00 C ATOM 15 C LYS A 2 -31.185 -2.257 -0.686 1.00 0.00 C ATOM 16 O LYS A 2 -31.413 -3.302 -1.296 1.00 0.00 O ATOM 17 CB LYS A 2 -33.627 -1.760 -0.510 1.00 0.00 C ATOM 18 CG LYS A 2 -34.671 -0.769 -0.020 1.00 0.00 C ATOM 19 CD LYS A 2 -34.477 -0.438 1.449 1.00 0.00 C ATOM 20 CE LYS A 2 -35.787 -0.039 2.107 1.00 0.00 C ATOM 21 NZ LYS A 2 -35.566 0.724 3.366 1.00 0.00 N ATOM 0 H LYS A 2 -31.536 0.025 1.276 1.00 0.00 H new ATOM 0 HA LYS A 2 -32.285 -2.087 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -33.506 -1.645 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -33.990 -2.773 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -34.612 0.145 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -35.668 -1.184 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -34.057 -1.301 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -33.757 0.374 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -36.372 0.566 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -36.372 -0.933 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -36.484 0.977 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -35.030 0.138 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -35.030 1.590 3.157 1.00 0.00 H new ATOM 35 N ILE A 3 -30.008 -1.642 -0.724 1.00 0.00 N ATOM 36 CA ILE A 3 -28.897 -2.174 -1.502 1.00 0.00 C ATOM 37 C ILE A 3 -27.557 -1.739 -0.922 1.00 0.00 C ATOM 38 O ILE A 3 -26.815 -0.982 -1.547 1.00 0.00 O ATOM 39 CB ILE A 3 -28.970 -1.730 -2.975 1.00 0.00 C ATOM 40 CG1 ILE A 3 -30.397 -1.315 -3.339 1.00 0.00 C ATOM 41 CG2 ILE A 3 -28.486 -2.849 -3.885 1.00 0.00 C ATOM 42 CD1 ILE A 3 -30.551 -0.883 -4.780 1.00 0.00 C ATOM 0 H ILE A 3 -29.800 -0.777 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 3 -28.977 -3.260 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 3 -28.319 -0.867 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -31.070 -2.150 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -30.706 -0.497 -2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -28.542 -2.523 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -27.454 -3.098 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -29.115 -3.729 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -31.588 -0.603 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -29.903 -0.028 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -30.273 -1.706 -5.438 1.00 0.00 H new ATOM 54 N PRO A 4 -27.228 -2.222 0.283 1.00 0.00 N ATOM 55 CA PRO A 4 -25.967 -1.890 0.951 1.00 0.00 C ATOM 56 C PRO A 4 -24.759 -2.383 0.162 1.00 0.00 C ATOM 57 O PRO A 4 -23.651 -1.870 0.314 1.00 0.00 O ATOM 58 CB PRO A 4 -26.060 -2.619 2.297 1.00 0.00 C ATOM 59 CG PRO A 4 -27.504 -2.953 2.469 1.00 0.00 C ATOM 60 CD PRO A 4 -28.056 -3.132 1.085 1.00 0.00 C ATOM 0 HA PRO A 4 -25.831 -0.813 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -25.446 -3.519 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -25.703 -1.988 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -27.627 -3.862 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -28.028 -2.157 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -27.968 -4.164 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -29.112 -2.868 1.034 1.00 0.00 H new ATOM 68 N ILE A 5 -24.986 -3.381 -0.685 1.00 0.00 N ATOM 69 CA ILE A 5 -23.923 -3.949 -1.505 1.00 0.00 C ATOM 70 C ILE A 5 -23.044 -2.857 -2.101 1.00 0.00 C ATOM 71 O ILE A 5 -21.908 -2.654 -1.672 1.00 0.00 O ATOM 72 CB ILE A 5 -24.496 -4.808 -2.649 1.00 0.00 C ATOM 73 CG1 ILE A 5 -25.514 -5.809 -2.103 1.00 0.00 C ATOM 74 CG2 ILE A 5 -23.376 -5.528 -3.386 1.00 0.00 C ATOM 75 CD1 ILE A 5 -26.898 -5.642 -2.692 1.00 0.00 C ATOM 0 H ILE A 5 -25.899 -3.814 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 5 -23.322 -4.579 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 5 -25.004 -4.152 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -25.161 -6.821 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.573 -5.702 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -23.798 -6.130 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -22.686 -4.795 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -22.840 -6.175 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -27.569 -6.384 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -27.270 -4.642 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -26.853 -5.779 -3.772 1.00 0.00 H new ATOM 87 N LYS A 6 -23.577 -2.158 -3.094 1.00 0.00 N ATOM 88 CA LYS A 6 -22.843 -1.087 -3.755 1.00 0.00 C ATOM 89 C LYS A 6 -22.105 -0.225 -2.737 1.00 0.00 C ATOM 90 O LYS A 6 -21.079 0.378 -3.050 1.00 0.00 O ATOM 91 CB LYS A 6 -23.797 -0.223 -4.582 1.00 0.00 C ATOM 92 CG LYS A 6 -24.199 -0.862 -5.901 1.00 0.00 C ATOM 93 CD LYS A 6 -25.653 -1.304 -5.887 1.00 0.00 C ATOM 94 CE LYS A 6 -25.949 -2.276 -7.017 1.00 0.00 C ATOM 95 NZ LYS A 6 -27.100 -3.166 -6.697 1.00 0.00 N ATOM 0 H LYS A 6 -24.516 -2.314 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.107 -1.539 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.694 -0.022 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.324 0.739 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -24.041 -0.152 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.559 -1.721 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -25.882 -1.775 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -26.301 -0.432 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.164 -1.718 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -25.065 -2.882 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -27.124 -3.958 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -26.995 -3.536 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -27.986 -2.626 -6.766 1.00 0.00 H new ATOM 109 N ALA A 7 -22.631 -0.174 -1.519 1.00 0.00 N ATOM 110 CA ALA A 7 -22.016 0.613 -0.459 1.00 0.00 C ATOM 111 C ALA A 7 -20.807 -0.107 0.122 1.00 0.00 C ATOM 112 O ALA A 7 -19.761 0.500 0.354 1.00 0.00 O ATOM 113 CB ALA A 7 -23.029 0.918 0.633 1.00 0.00 C ATOM 0 H ALA A 7 -23.480 -0.667 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 7 -21.675 1.554 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -22.553 1.507 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -23.861 1.482 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.401 -0.016 1.055 1.00 0.00 H new ATOM 119 N ILE A 8 -20.955 -1.406 0.349 1.00 0.00 N ATOM 120 CA ILE A 8 -19.872 -2.210 0.896 1.00 0.00 C ATOM 121 C ILE A 8 -18.802 -2.461 -0.161 1.00 0.00 C ATOM 122 O ILE A 8 -17.624 -2.621 0.159 1.00 0.00 O ATOM 123 CB ILE A 8 -20.386 -3.559 1.435 1.00 0.00 C ATOM 124 CG1 ILE A 8 -19.321 -4.223 2.307 1.00 0.00 C ATOM 125 CG2 ILE A 8 -20.787 -4.478 0.291 1.00 0.00 C ATOM 126 CD1 ILE A 8 -19.850 -5.373 3.137 1.00 0.00 C ATOM 0 H ILE A 8 -21.814 -1.924 0.163 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.439 -1.649 1.724 1.00 0.00 H new ATOM 0 HB ILE A 8 -21.269 -3.371 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -18.515 -4.586 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.889 -3.475 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -21.147 -5.425 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -21.578 -4.008 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -19.924 -4.661 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -19.040 -5.796 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.635 -5.012 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -20.256 -6.140 2.478 1.00 0.00 H new ATOM 138 N LYS A 9 -19.221 -2.487 -1.422 1.00 0.00 N ATOM 139 CA LYS A 9 -18.300 -2.709 -2.529 1.00 0.00 C ATOM 140 C LYS A 9 -17.505 -1.442 -2.834 1.00 0.00 C ATOM 141 O LYS A 9 -16.331 -1.508 -3.201 1.00 0.00 O ATOM 142 CB LYS A 9 -19.066 -3.166 -3.773 1.00 0.00 C ATOM 143 CG LYS A 9 -20.205 -4.123 -3.463 1.00 0.00 C ATOM 144 CD LYS A 9 -20.256 -5.274 -4.456 1.00 0.00 C ATOM 145 CE LYS A 9 -19.025 -6.160 -4.349 1.00 0.00 C ATOM 146 NZ LYS A 9 -19.177 -7.416 -5.133 1.00 0.00 N ATOM 0 H LYS A 9 -20.193 -2.357 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.599 -3.492 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -19.466 -2.291 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.372 -3.649 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.085 -4.517 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -21.151 -3.582 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.151 -5.870 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.334 -4.879 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.152 -5.613 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.843 -6.405 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.317 -7.993 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.995 -7.950 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.325 -7.184 -6.136 1.00 0.00 H new ATOM 160 N THR A 10 -18.147 -0.288 -2.671 1.00 0.00 N ATOM 161 CA THR A 10 -17.489 0.990 -2.923 1.00 0.00 C ATOM 162 C THR A 10 -16.462 1.285 -1.838 1.00 0.00 C ATOM 163 O THR A 10 -15.447 1.935 -2.087 1.00 0.00 O ATOM 164 CB THR A 10 -18.516 2.121 -2.987 1.00 0.00 C ATOM 165 OG1 THR A 10 -17.953 3.277 -3.582 1.00 0.00 O ATOM 166 CG2 THR A 10 -19.052 2.517 -1.628 1.00 0.00 C ATOM 0 H THR A 10 -19.118 -0.212 -2.367 1.00 0.00 H new ATOM 0 HA THR A 10 -16.978 0.924 -3.884 1.00 0.00 H new ATOM 0 HB THR A 10 -19.340 1.732 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.626 3.989 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 10 -19.776 3.324 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 10 -19.537 1.658 -1.164 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.230 2.855 -0.997 1.00 0.00 H new ATOM 174 N VAL A 11 -16.730 0.796 -0.633 1.00 0.00 N ATOM 175 CA VAL A 11 -15.823 0.998 0.486 1.00 0.00 C ATOM 176 C VAL A 11 -14.650 0.034 0.388 1.00 0.00 C ATOM 177 O VAL A 11 -13.531 0.356 0.787 1.00 0.00 O ATOM 178 CB VAL A 11 -16.538 0.805 1.838 1.00 0.00 C ATOM 179 CG1 VAL A 11 -15.531 0.624 2.964 1.00 0.00 C ATOM 180 CG2 VAL A 11 -17.456 1.983 2.123 1.00 0.00 C ATOM 0 H VAL A 11 -17.567 0.258 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.461 2.025 0.436 1.00 0.00 H new ATOM 0 HB VAL A 11 -17.143 -0.100 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.060 0.490 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.916 -0.254 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.894 1.506 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.954 1.833 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.869 2.901 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.204 2.061 1.334 1.00 0.00 H new ATOM 190 N GLY A 12 -14.915 -1.148 -0.158 1.00 0.00 N ATOM 191 CA GLY A 12 -13.870 -2.136 -0.314 1.00 0.00 C ATOM 192 C GLY A 12 -12.832 -1.699 -1.324 1.00 0.00 C ATOM 193 O GLY A 12 -11.654 -2.036 -1.200 1.00 0.00 O ATOM 0 H GLY A 12 -15.834 -1.437 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.390 -2.312 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.309 -3.083 -0.629 1.00 0.00 H new ATOM 197 N LYS A 13 -13.266 -0.932 -2.321 1.00 0.00 N ATOM 198 CA LYS A 13 -12.351 -0.440 -3.347 1.00 0.00 C ATOM 199 C LYS A 13 -11.680 0.847 -2.886 1.00 0.00 C ATOM 200 O LYS A 13 -10.588 1.189 -3.339 1.00 0.00 O ATOM 201 CB LYS A 13 -13.083 -0.209 -4.673 1.00 0.00 C ATOM 202 CG LYS A 13 -14.309 0.681 -4.555 1.00 0.00 C ATOM 203 CD LYS A 13 -13.999 2.114 -4.957 1.00 0.00 C ATOM 204 CE LYS A 13 -13.747 2.231 -6.451 1.00 0.00 C ATOM 205 NZ LYS A 13 -14.014 3.608 -6.953 1.00 0.00 N ATOM 0 H LYS A 13 -14.236 -0.640 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.586 -1.199 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.390 0.237 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.385 -1.173 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.106 0.289 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.677 0.661 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.831 2.760 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.124 2.465 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.714 1.960 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.381 1.521 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.830 3.646 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.007 3.858 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.391 4.283 -6.464 1.00 0.00 H new ATOM 219 N ALA A 14 -12.338 1.552 -1.970 1.00 0.00 N ATOM 220 CA ALA A 14 -11.801 2.795 -1.435 1.00 0.00 C ATOM 221 C ALA A 14 -10.618 2.510 -0.525 1.00 0.00 C ATOM 222 O ALA A 14 -9.563 3.133 -0.642 1.00 0.00 O ATOM 223 CB ALA A 14 -12.879 3.564 -0.687 1.00 0.00 C ATOM 0 H ALA A 14 -13.243 1.282 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.457 3.411 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.459 4.490 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.698 3.797 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.253 2.957 0.137 1.00 0.00 H new ATOM 229 N VAL A 15 -10.795 1.548 0.370 1.00 0.00 N ATOM 230 CA VAL A 15 -9.734 1.162 1.285 1.00 0.00 C ATOM 231 C VAL A 15 -8.582 0.543 0.509 1.00 0.00 C ATOM 232 O VAL A 15 -7.414 0.839 0.763 1.00 0.00 O ATOM 233 CB VAL A 15 -10.224 0.155 2.339 1.00 0.00 C ATOM 234 CG1 VAL A 15 -9.050 -0.403 3.127 1.00 0.00 C ATOM 235 CG2 VAL A 15 -11.243 0.800 3.265 1.00 0.00 C ATOM 0 H VAL A 15 -11.662 1.022 0.481 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.404 2.064 1.800 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.713 -0.673 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.415 -1.114 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.363 -0.907 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.530 0.412 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.577 0.071 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.786 1.649 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.098 1.144 2.682 1.00 0.00 H new ATOM 245 N GLY A 16 -8.927 -0.310 -0.450 1.00 0.00 N ATOM 246 CA GLY A 16 -7.919 -0.955 -1.267 1.00 0.00 C ATOM 247 C GLY A 16 -7.073 0.052 -2.017 1.00 0.00 C ATOM 248 O GLY A 16 -5.908 -0.204 -2.318 1.00 0.00 O ATOM 0 H GLY A 16 -9.888 -0.566 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.278 -1.569 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.402 -1.625 -1.978 1.00 0.00 H new ATOM 252 N LYS A 17 -7.664 1.207 -2.315 1.00 0.00 N ATOM 253 CA LYS A 17 -6.961 2.266 -3.028 1.00 0.00 C ATOM 254 C LYS A 17 -6.005 2.995 -2.092 1.00 0.00 C ATOM 255 O LYS A 17 -4.805 3.078 -2.354 1.00 0.00 O ATOM 256 CB LYS A 17 -7.968 3.248 -3.638 1.00 0.00 C ATOM 257 CG LYS A 17 -7.422 4.654 -3.832 1.00 0.00 C ATOM 258 CD LYS A 17 -7.727 5.535 -2.632 1.00 0.00 C ATOM 259 CE LYS A 17 -8.345 6.859 -3.053 1.00 0.00 C ATOM 260 NZ LYS A 17 -7.413 7.999 -2.838 1.00 0.00 N ATOM 0 H LYS A 17 -8.629 1.432 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.377 1.819 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.298 2.861 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.847 3.296 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.344 4.610 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.857 5.095 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.408 5.012 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.809 5.722 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.624 6.811 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.262 7.028 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.871 8.883 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.167 8.061 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.549 7.851 -3.397 1.00 0.00 H new ATOM 274 N GLY A 18 -6.545 3.511 -0.997 1.00 0.00 N ATOM 275 CA GLY A 18 -5.726 4.217 -0.030 1.00 0.00 C ATOM 276 C GLY A 18 -4.654 3.326 0.562 1.00 0.00 C ATOM 277 O GLY A 18 -3.579 3.795 0.935 1.00 0.00 O ATOM 0 H GLY A 18 -7.535 3.454 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.259 5.077 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.359 4.603 0.769 1.00 0.00 H new ATOM 281 N LEU A 19 -4.950 2.032 0.643 1.00 0.00 N ATOM 282 CA LEU A 19 -4.006 1.065 1.187 1.00 0.00 C ATOM 283 C LEU A 19 -2.895 0.775 0.186 1.00 0.00 C ATOM 284 O LEU A 19 -1.717 0.731 0.542 1.00 0.00 O ATOM 285 CB LEU A 19 -4.727 -0.235 1.556 1.00 0.00 C ATOM 286 CG LEU A 19 -3.854 -1.493 1.529 1.00 0.00 C ATOM 287 CD1 LEU A 19 -2.843 -1.467 2.665 1.00 0.00 C ATOM 288 CD2 LEU A 19 -4.719 -2.742 1.612 1.00 0.00 C ATOM 0 H LEU A 19 -5.837 1.630 0.338 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.563 1.492 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.150 -0.127 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.562 -0.376 0.870 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.308 -1.513 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.232 -2.369 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.203 -0.591 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.369 -1.423 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.083 -3.627 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.291 -2.727 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.404 -2.768 0.764 1.00 0.00 H new ATOM 300 N ARG A 20 -3.276 0.577 -1.071 1.00 0.00 N ATOM 301 CA ARG A 20 -2.304 0.289 -2.115 1.00 0.00 C ATOM 302 C ARG A 20 -1.372 1.472 -2.320 1.00 0.00 C ATOM 303 O ARG A 20 -0.175 1.297 -2.551 1.00 0.00 O ATOM 304 CB ARG A 20 -3.007 -0.079 -3.426 1.00 0.00 C ATOM 305 CG ARG A 20 -2.270 -1.131 -4.246 1.00 0.00 C ATOM 306 CD ARG A 20 -1.622 -2.186 -3.361 1.00 0.00 C ATOM 307 NE ARG A 20 -1.675 -3.516 -3.959 1.00 0.00 N ATOM 308 CZ ARG A 20 -1.023 -3.852 -5.067 1.00 0.00 C ATOM 309 NH1 ARG A 20 -0.289 -2.952 -5.706 1.00 0.00 N ATOM 310 NH2 ARG A 20 -1.109 -5.088 -5.538 1.00 0.00 N ATOM 0 H ARG A 20 -4.245 0.611 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.707 -0.566 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.009 -0.444 -3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.125 0.821 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.967 -1.611 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.506 -0.648 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.583 -1.914 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.124 -2.204 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.244 -4.228 -3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.224 -1.999 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.211 -3.212 -6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.676 -5.781 -5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.608 -5.346 -6.389 1.00 0.00 H new ATOM 324 N ALA A 21 -1.913 2.678 -2.211 1.00 0.00 N ATOM 325 CA ALA A 21 -1.101 3.873 -2.359 1.00 0.00 C ATOM 326 C ALA A 21 -0.081 3.926 -1.237 1.00 0.00 C ATOM 327 O ALA A 21 1.072 4.306 -1.442 1.00 0.00 O ATOM 328 CB ALA A 21 -1.970 5.123 -2.366 1.00 0.00 C ATOM 0 H ALA A 21 -2.900 2.852 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.578 3.835 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.339 6.004 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.673 5.073 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.521 5.188 -1.428 1.00 0.00 H new ATOM 334 N ILE A 22 -0.511 3.501 -0.056 1.00 0.00 N ATOM 335 CA ILE A 22 0.366 3.456 1.098 1.00 0.00 C ATOM 336 C ILE A 22 1.423 2.381 0.886 1.00 0.00 C ATOM 337 O ILE A 22 2.450 2.361 1.559 1.00 0.00 O ATOM 338 CB ILE A 22 -0.413 3.146 2.390 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.316 4.322 2.767 1.00 0.00 C ATOM 340 CG2 ILE A 22 0.550 2.824 3.520 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.582 5.446 3.464 1.00 0.00 C ATOM 0 H ILE A 22 -1.463 3.183 0.124 1.00 0.00 H new ATOM 0 HA ILE A 22 0.831 4.436 1.206 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.044 2.275 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.788 4.711 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.115 3.963 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.013 2.607 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.151 1.956 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.204 3.678 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.283 6.246 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.133 5.072 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.199 5.831 2.809 1.00 0.00 H new ATOM 353 N ASN A 23 1.148 1.483 -0.061 1.00 0.00 N ATOM 354 CA ASN A 23 2.059 0.395 -0.381 1.00 0.00 C ATOM 355 C ASN A 23 3.303 0.913 -1.084 1.00 0.00 C ATOM 356 O ASN A 23 4.407 0.840 -0.545 1.00 0.00 O ATOM 357 CB ASN A 23 1.330 -0.645 -1.237 1.00 0.00 C ATOM 358 CG ASN A 23 1.910 -0.846 -2.629 1.00 0.00 C ATOM 359 OD1 ASN A 23 3.062 -1.253 -2.781 1.00 0.00 O ATOM 360 ND2 ASN A 23 1.111 -0.562 -3.650 1.00 0.00 N ATOM 0 H ASN A 23 0.295 1.493 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 23 2.387 -0.078 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.343 -1.600 -0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.286 -0.348 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.445 -0.679 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.163 -0.227 -3.478 1.00 0.00 H new ATOM 367 N ILE A 24 3.118 1.451 -2.282 1.00 0.00 N ATOM 368 CA ILE A 24 4.236 1.989 -3.027 1.00 0.00 C ATOM 369 C ILE A 24 4.863 3.107 -2.223 1.00 0.00 C ATOM 370 O ILE A 24 6.018 3.477 -2.433 1.00 0.00 O ATOM 371 CB ILE A 24 3.826 2.507 -4.417 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.801 3.638 -4.297 1.00 0.00 C ATOM 373 CG2 ILE A 24 3.294 1.365 -5.269 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.362 3.183 -4.403 1.00 0.00 C ATOM 0 H ILE A 24 2.214 1.524 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 24 4.951 1.183 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 24 4.708 2.916 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.942 4.141 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.996 4.375 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.008 1.745 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.068 0.607 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.424 0.923 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.700 4.044 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.201 2.707 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.146 2.470 -3.607 1.00 0.00 H new ATOM 386 N ALA A 25 4.092 3.616 -1.266 1.00 0.00 N ATOM 387 CA ALA A 25 4.566 4.661 -0.390 1.00 0.00 C ATOM 388 C ALA A 25 5.324 4.037 0.770 1.00 0.00 C ATOM 389 O ALA A 25 6.186 4.670 1.380 1.00 0.00 O ATOM 390 CB ALA A 25 3.408 5.510 0.114 1.00 0.00 C ATOM 0 H ALA A 25 3.135 3.315 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 25 5.237 5.317 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.789 6.291 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.896 5.967 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.708 4.881 0.664 1.00 0.00 H new ATOM 396 N SER A 26 5.002 2.775 1.059 1.00 0.00 N ATOM 397 CA SER A 26 5.665 2.052 2.136 1.00 0.00 C ATOM 398 C SER A 26 7.014 1.535 1.658 1.00 0.00 C ATOM 399 O SER A 26 8.006 1.591 2.384 1.00 0.00 O ATOM 400 CB SER A 26 4.793 0.892 2.622 1.00 0.00 C ATOM 401 OG SER A 26 3.808 1.342 3.535 1.00 0.00 O ATOM 0 H SER A 26 4.290 2.238 0.563 1.00 0.00 H new ATOM 0 HA SER A 26 5.822 2.735 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.311 0.413 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.419 0.138 3.100 1.00 0.00 H new ATOM 0 HG SER A 26 3.273 2.049 3.117 1.00 0.00 H new ATOM 407 N THR A 27 7.045 1.050 0.421 1.00 0.00 N ATOM 408 CA THR A 27 8.278 0.547 -0.165 1.00 0.00 C ATOM 409 C THR A 27 9.282 1.683 -0.304 1.00 0.00 C ATOM 410 O THR A 27 10.465 1.527 -0.002 1.00 0.00 O ATOM 411 CB THR A 27 8.000 -0.084 -1.533 1.00 0.00 C ATOM 412 OG1 THR A 27 8.933 -1.114 -1.810 1.00 0.00 O ATOM 413 CG2 THR A 27 8.055 0.903 -2.680 1.00 0.00 C ATOM 0 H THR A 27 6.232 0.995 -0.192 1.00 0.00 H new ATOM 0 HA THR A 27 8.694 -0.219 0.490 1.00 0.00 H new ATOM 0 HB THR A 27 6.985 -0.474 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.737 -1.505 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.848 0.385 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.310 1.683 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.047 1.353 -2.726 1.00 0.00 H new ATOM 421 N ALA A 28 8.790 2.830 -0.758 1.00 0.00 N ATOM 422 CA ALA A 28 9.631 4.006 -0.936 1.00 0.00 C ATOM 423 C ALA A 28 10.442 4.292 0.321 1.00 0.00 C ATOM 424 O ALA A 28 11.619 4.642 0.247 1.00 0.00 O ATOM 425 CB ALA A 28 8.781 5.213 -1.303 1.00 0.00 C ATOM 0 H ALA A 28 7.811 2.970 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 28 10.327 3.805 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.423 6.084 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.248 5.013 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.062 5.407 -0.507 1.00 0.00 H new ATOM 431 N ASN A 29 9.805 4.136 1.477 1.00 0.00 N ATOM 432 CA ASN A 29 10.474 4.374 2.749 1.00 0.00 C ATOM 433 C ASN A 29 11.531 3.309 3.004 1.00 0.00 C ATOM 434 O ASN A 29 12.725 3.606 3.073 1.00 0.00 O ATOM 435 CB ASN A 29 9.458 4.391 3.892 1.00 0.00 C ATOM 436 CG ASN A 29 8.893 5.776 4.141 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.142 6.382 5.183 1.00 0.00 O ATOM 438 ND2 ASN A 29 8.128 6.284 3.182 1.00 0.00 N ATOM 0 H ASN A 29 8.830 3.847 1.558 1.00 0.00 H new ATOM 0 HA ASN A 29 10.964 5.347 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.643 3.705 3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.933 4.026 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.720 7.212 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.948 5.746 2.334 1.00 0.00 H new ATOM 445 N ASP A 30 11.087 2.067 3.131 1.00 0.00 N ATOM 446 CA ASP A 30 11.999 0.956 3.364 1.00 0.00 C ATOM 447 C ASP A 30 13.122 0.977 2.337 1.00 0.00 C ATOM 448 O ASP A 30 14.272 0.672 2.649 1.00 0.00 O ATOM 449 CB ASP A 30 11.250 -0.376 3.295 1.00 0.00 C ATOM 450 CG ASP A 30 11.237 -1.101 4.626 1.00 0.00 C ATOM 451 OD1 ASP A 30 12.271 -1.072 5.327 1.00 0.00 O ATOM 452 OD2 ASP A 30 10.194 -1.697 4.968 1.00 0.00 O ATOM 0 H ASP A 30 10.103 1.803 3.077 1.00 0.00 H new ATOM 0 HA ASP A 30 12.427 1.062 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.225 -0.197 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.715 -1.013 2.542 1.00 0.00 H new ATOM 457 N VAL A 31 12.777 1.353 1.111 1.00 0.00 N ATOM 458 CA VAL A 31 13.752 1.430 0.033 1.00 0.00 C ATOM 459 C VAL A 31 14.853 2.420 0.380 1.00 0.00 C ATOM 460 O VAL A 31 16.038 2.095 0.325 1.00 0.00 O ATOM 461 CB VAL A 31 13.092 1.858 -1.291 1.00 0.00 C ATOM 462 CG1 VAL A 31 14.148 2.180 -2.336 1.00 0.00 C ATOM 463 CG2 VAL A 31 12.149 0.777 -1.792 1.00 0.00 C ATOM 0 H VAL A 31 11.828 1.609 0.840 1.00 0.00 H new ATOM 0 HA VAL A 31 14.178 0.434 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 31 12.509 2.760 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.662 2.480 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.779 2.993 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.762 1.298 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.692 1.098 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.707 -0.145 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.370 0.601 -1.050 1.00 0.00 H new ATOM 473 N PHE A 32 14.447 3.629 0.742 1.00 0.00 N ATOM 474 CA PHE A 32 15.391 4.679 1.105 1.00 0.00 C ATOM 475 C PHE A 32 16.337 4.208 2.204 1.00 0.00 C ATOM 476 O PHE A 32 17.444 4.726 2.348 1.00 0.00 O ATOM 477 CB PHE A 32 14.643 5.930 1.566 1.00 0.00 C ATOM 478 CG PHE A 32 15.538 7.117 1.768 1.00 0.00 C ATOM 479 CD1 PHE A 32 16.322 7.591 0.729 1.00 0.00 C ATOM 480 CD2 PHE A 32 15.597 7.758 2.995 1.00 0.00 C ATOM 481 CE1 PHE A 32 17.150 8.682 0.910 1.00 0.00 C ATOM 482 CE2 PHE A 32 16.424 8.850 3.182 1.00 0.00 C ATOM 483 CZ PHE A 32 17.201 9.313 2.138 1.00 0.00 C ATOM 0 H PHE A 32 13.467 3.908 0.792 1.00 0.00 H new ATOM 0 HA PHE A 32 15.981 4.920 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.880 6.181 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.125 5.711 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.286 7.102 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.990 7.401 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.757 9.041 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.462 9.341 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.847 10.167 2.281 1.00 0.00 H new ATOM 493 N ASN A 33 15.894 3.226 2.980 1.00 0.00 N ATOM 494 CA ASN A 33 16.703 2.691 4.067 1.00 0.00 C ATOM 495 C ASN A 33 17.183 1.277 3.752 1.00 0.00 C ATOM 496 O ASN A 33 17.765 0.606 4.603 1.00 0.00 O ATOM 497 CB ASN A 33 15.901 2.691 5.368 1.00 0.00 C ATOM 498 CG ASN A 33 15.930 4.036 6.066 1.00 0.00 C ATOM 499 OD1 ASN A 33 16.644 4.223 7.052 1.00 0.00 O ATOM 500 ND2 ASN A 33 15.151 4.984 5.557 1.00 0.00 N ATOM 0 H ASN A 33 14.980 2.785 2.877 1.00 0.00 H new ATOM 0 HA ASN A 33 17.578 3.330 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 33 14.868 2.418 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.300 1.929 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.129 5.910 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.575 4.786 4.739 1.00 0.00 H new ATOM 507 N PHE A 34 16.930 0.828 2.527 1.00 0.00 N ATOM 508 CA PHE A 34 17.334 -0.509 2.106 1.00 0.00 C ATOM 509 C PHE A 34 18.592 -0.462 1.245 1.00 0.00 C ATOM 510 O PHE A 34 19.332 -1.441 1.159 1.00 0.00 O ATOM 511 CB PHE A 34 16.201 -1.186 1.333 1.00 0.00 C ATOM 512 CG PHE A 34 15.338 -2.072 2.186 1.00 0.00 C ATOM 513 CD1 PHE A 34 15.143 -1.786 3.528 1.00 0.00 C ATOM 514 CD2 PHE A 34 14.724 -3.191 1.647 1.00 0.00 C ATOM 515 CE1 PHE A 34 14.351 -2.599 4.316 1.00 0.00 C ATOM 516 CE2 PHE A 34 13.930 -4.008 2.430 1.00 0.00 C ATOM 517 CZ PHE A 34 13.744 -3.712 3.767 1.00 0.00 C ATOM 0 H PHE A 34 16.448 1.369 1.809 1.00 0.00 H new ATOM 0 HA PHE A 34 17.555 -1.088 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 34 15.578 -0.420 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 34 16.628 -1.778 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.616 -0.918 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 34 14.867 -3.428 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.207 -2.365 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.456 -4.876 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.125 -4.349 4.381 1.00 0.00 H new ATOM 527 N LEU A 35 18.828 0.680 0.607 1.00 0.00 N ATOM 528 CA LEU A 35 19.997 0.847 -0.249 1.00 0.00 C ATOM 529 C LEU A 35 21.122 1.561 0.493 1.00 0.00 C ATOM 530 O LEU A 35 21.706 2.517 -0.017 1.00 0.00 O ATOM 531 CB LEU A 35 19.627 1.630 -1.511 1.00 0.00 C ATOM 532 CG LEU A 35 18.133 1.893 -1.696 1.00 0.00 C ATOM 533 CD1 LEU A 35 17.894 2.790 -2.900 1.00 0.00 C ATOM 534 CD2 LEU A 35 17.376 0.582 -1.846 1.00 0.00 C ATOM 0 H LEU A 35 18.227 1.502 0.666 1.00 0.00 H new ATOM 0 HA LEU A 35 20.347 -0.145 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 35 20.149 2.587 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.994 1.083 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 35 17.761 2.405 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.825 2.966 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.405 3.742 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.281 2.306 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.314 0.788 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.751 0.043 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.520 -0.026 -0.953 1.00 0.00 H new ATOM 546 N LYS A 36 21.423 1.091 1.699 1.00 0.00 N ATOM 547 CA LYS A 36 22.478 1.686 2.506 1.00 0.00 C ATOM 548 C LYS A 36 23.345 0.611 3.156 1.00 0.00 C ATOM 549 O LYS A 36 23.684 0.703 4.336 1.00 0.00 O ATOM 550 CB LYS A 36 21.874 2.592 3.579 1.00 0.00 C ATOM 551 CG LYS A 36 21.938 4.069 3.229 1.00 0.00 C ATOM 552 CD LYS A 36 20.605 4.576 2.704 1.00 0.00 C ATOM 553 CE LYS A 36 20.783 5.408 1.444 1.00 0.00 C ATOM 554 NZ LYS A 36 21.766 6.510 1.638 1.00 0.00 N ATOM 0 H LYS A 36 20.951 0.300 2.137 1.00 0.00 H new ATOM 0 HA LYS A 36 23.111 2.283 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.834 2.309 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 36 22.398 2.426 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.224 4.641 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 22.712 4.233 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.950 3.730 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.115 5.176 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.115 4.765 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.822 5.828 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.565 7.277 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.693 6.874 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.728 6.150 1.475 1.00 0.00 H new ATOM 568 N PRO A 37 23.720 -0.424 2.387 1.00 0.00 N ATOM 569 CA PRO A 37 24.554 -1.519 2.885 1.00 0.00 C ATOM 570 C PRO A 37 26.023 -1.120 2.993 1.00 0.00 C ATOM 571 O PRO A 37 26.659 -0.784 1.994 1.00 0.00 O ATOM 572 CB PRO A 37 24.368 -2.603 1.826 1.00 0.00 C ATOM 573 CG PRO A 37 24.096 -1.854 0.567 1.00 0.00 C ATOM 574 CD PRO A 37 23.359 -0.603 0.969 1.00 0.00 C ATOM 0 HA PRO A 37 24.271 -1.832 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 37 25.259 -3.224 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 37 23.541 -3.267 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 25.025 -1.609 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.499 -2.453 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 37 23.665 0.253 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 37 22.282 -0.714 0.841 1.00 0.00 H new ATOM 582 N LYS A 38 26.554 -1.155 4.210 1.00 0.00 N ATOM 583 CA LYS A 38 27.947 -0.792 4.446 1.00 0.00 C ATOM 584 C LYS A 38 28.886 -1.915 4.022 1.00 0.00 C ATOM 585 O LYS A 38 29.895 -1.676 3.358 1.00 0.00 O ATOM 586 CB LYS A 38 28.166 -0.457 5.922 1.00 0.00 C ATOM 587 CG LYS A 38 27.302 0.690 6.421 1.00 0.00 C ATOM 588 CD LYS A 38 27.013 0.562 7.908 1.00 0.00 C ATOM 589 CE LYS A 38 26.598 1.895 8.511 1.00 0.00 C ATOM 590 NZ LYS A 38 27.557 2.358 9.552 1.00 0.00 N ATOM 0 H LYS A 38 26.042 -1.431 5.048 1.00 0.00 H new ATOM 0 HA LYS A 38 28.172 0.088 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.960 -1.344 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 38 29.215 -0.205 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 27.805 1.637 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.364 0.708 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.222 -0.171 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 38 27.899 0.189 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 26.529 2.644 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.604 1.801 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.238 3.270 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.604 1.656 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.500 2.473 9.129 1.00 0.00 H new ATOM 604 N LYS A 39 28.551 -3.138 4.413 1.00 0.00 N ATOM 605 CA LYS A 39 29.368 -4.299 4.077 1.00 0.00 C ATOM 606 C LYS A 39 28.578 -5.302 3.243 1.00 0.00 C ATOM 607 O LYS A 39 28.859 -6.501 3.267 1.00 0.00 O ATOM 608 CB LYS A 39 29.880 -4.971 5.351 1.00 0.00 C ATOM 609 CG LYS A 39 28.825 -5.094 6.437 1.00 0.00 C ATOM 610 CD LYS A 39 29.400 -5.696 7.708 1.00 0.00 C ATOM 611 CE LYS A 39 28.833 -5.025 8.949 1.00 0.00 C ATOM 612 NZ LYS A 39 28.563 -6.004 10.037 1.00 0.00 N ATOM 0 H LYS A 39 27.719 -3.353 4.963 1.00 0.00 H new ATOM 0 HA LYS A 39 30.217 -3.955 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 39 30.253 -5.965 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 39 30.724 -4.401 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 39 28.410 -4.110 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 39 28.004 -5.715 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 39 29.181 -6.763 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 39 30.485 -5.594 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 39 29.534 -4.271 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 39 27.910 -4.506 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 28.178 -5.506 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 27.874 -6.710 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 29.448 -6.482 10.302 1.00 0.00 H new ATOM 626 N ARG A 40 27.589 -4.808 2.506 1.00 0.00 N ATOM 627 CA ARG A 40 26.764 -5.667 1.666 1.00 0.00 C ATOM 628 C ARG A 40 26.268 -4.914 0.435 1.00 0.00 C ATOM 629 O ARG A 40 25.096 -5.008 0.069 1.00 0.00 O ATOM 630 CB ARG A 40 25.574 -6.206 2.461 1.00 0.00 C ATOM 631 CG ARG A 40 25.092 -7.566 1.981 1.00 0.00 C ATOM 632 CD ARG A 40 24.408 -8.340 3.096 1.00 0.00 C ATOM 633 NE ARG A 40 22.961 -8.399 2.912 1.00 0.00 N ATOM 634 CZ ARG A 40 22.133 -7.429 3.284 1.00 0.00 C ATOM 635 NH1 ARG A 40 22.609 -6.330 3.854 1.00 0.00 N ATOM 636 NH2 ARG A 40 20.828 -7.557 3.084 1.00 0.00 N ATOM 0 H ARG A 40 27.340 -3.819 2.473 1.00 0.00 H new ATOM 0 HA ARG A 40 27.379 -6.504 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.852 -6.278 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 40 24.751 -5.494 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 40 24.399 -7.435 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 25.938 -8.141 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 40 24.810 -9.352 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 40 24.633 -7.871 4.054 1.00 0.00 H new ATOM 0 HE ARG A 40 22.564 -9.230 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 40 23.612 -6.229 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.972 -5.586 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.460 -8.401 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.193 -6.812 3.370 1.00 0.00 H new ATOM 650 N LYS A 41 27.167 -4.169 -0.200 1.00 0.00 N ATOM 651 CA LYS A 41 26.819 -3.403 -1.391 1.00 0.00 C ATOM 652 C LYS A 41 26.095 -4.280 -2.407 1.00 0.00 C ATOM 653 O LYS A 41 26.326 -5.487 -2.475 1.00 0.00 O ATOM 654 CB LYS A 41 28.076 -2.801 -2.021 1.00 0.00 C ATOM 655 CG LYS A 41 28.913 -3.811 -2.791 1.00 0.00 C ATOM 656 CD LYS A 41 30.384 -3.711 -2.422 1.00 0.00 C ATOM 657 CE LYS A 41 30.977 -5.077 -2.117 1.00 0.00 C ATOM 658 NZ LYS A 41 32.390 -4.979 -1.656 1.00 0.00 N ATOM 0 H LYS A 41 28.141 -4.080 0.090 1.00 0.00 H new ATOM 0 HA LYS A 41 26.150 -2.596 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 41 27.785 -1.994 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 41 28.688 -2.356 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 41 28.552 -4.818 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 28.793 -3.644 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 41 30.935 -3.249 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 30.499 -3.061 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 41 30.379 -5.570 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 41 30.929 -5.701 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 32.758 -5.932 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 32.967 -4.532 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 32.434 -4.405 -0.790 1.00 0.00 H new ATOM 672 N ALA A 42 25.216 -3.667 -3.193 1.00 0.00 N ATOM 673 CA ALA A 42 24.459 -4.394 -4.204 1.00 0.00 C ATOM 674 C ALA A 42 24.282 -3.557 -5.465 1.00 0.00 C ATOM 675 O ALA A 42 23.125 -3.380 -5.900 1.00 0.00 O ATOM 676 CB ALA A 42 23.104 -4.811 -3.651 1.00 0.00 C ATOM 677 OXT ALA A 42 25.303 -3.085 -6.009 1.00 0.00 O ATOM 0 H ALA A 42 25.011 -2.669 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 42 25.022 -5.289 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.550 -5.353 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 42 23.248 -5.455 -2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.543 -3.924 -3.356 1.00 0.00 H new TER 683 ALA A 42