USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0965 (180deg=-0.517) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.447 (180deg=-0.468) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.073 (180deg=-0.462) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.15 (180deg=-0.628) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.107 F(o=-1.8!,f=-0.11) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0179 (180deg=-0.233) USER MOD Single : A 23 THR OG1 : rot 59:sc= 0.242 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0249 F(o=-1.4!,f=-0.025) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.407 7.060 2.691 1.00 0.00 N ATOM 2 CA MET A 1 -13.222 8.292 2.865 1.00 0.00 C ATOM 3 C MET A 1 -14.542 8.183 2.105 1.00 0.00 C ATOM 4 O MET A 1 -15.232 9.182 1.896 1.00 0.00 O ATOM 5 CB MET A 1 -12.441 9.513 2.376 1.00 0.00 C ATOM 6 CG MET A 1 -11.136 9.739 3.120 1.00 0.00 C ATOM 7 SD MET A 1 -11.382 10.048 4.881 1.00 0.00 S ATOM 8 CE MET A 1 -12.286 11.593 4.833 1.00 0.00 C ATOM 0 H1 MET A 1 -11.530 7.143 3.244 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.948 6.236 3.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.172 6.938 1.685 1.00 0.00 H new ATOM 0 HA MET A 1 -13.442 8.407 3.926 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.228 9.396 1.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.067 10.399 2.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.495 8.866 2.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.612 10.586 2.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.236 12.074 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.846 12.249 4.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.328 11.397 4.578 1.00 0.00 H new ATOM 20 N ALA A 2 -14.884 6.966 1.697 1.00 0.00 N ATOM 21 CA ALA A 2 -16.120 6.724 0.963 1.00 0.00 C ATOM 22 C ALA A 2 -16.773 5.421 1.410 1.00 0.00 C ATOM 23 O ALA A 2 -16.087 4.447 1.721 1.00 0.00 O ATOM 24 CB ALA A 2 -15.846 6.691 -0.534 1.00 0.00 C ATOM 0 H ALA A 2 -14.322 6.131 1.862 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.809 7.541 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.777 6.509 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.427 7.647 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.138 5.893 -0.757 1.00 0.00 H new ATOM 30 N GLU A 3 -18.101 5.408 1.442 1.00 0.00 N ATOM 31 CA GLU A 3 -18.845 4.223 1.853 1.00 0.00 C ATOM 32 C GLU A 3 -19.274 3.397 0.644 1.00 0.00 C ATOM 33 O GLU A 3 -20.132 2.520 0.755 1.00 0.00 O ATOM 34 CB GLU A 3 -20.071 4.624 2.675 1.00 0.00 C ATOM 35 CG GLU A 3 -19.729 5.385 3.945 1.00 0.00 C ATOM 36 CD GLU A 3 -18.862 4.580 4.893 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.424 3.850 5.738 1.00 0.00 O ATOM 38 OE2 GLU A 3 -17.621 4.678 4.791 1.00 0.00 O ATOM 0 H GLU A 3 -18.685 6.205 1.188 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.187 3.610 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.726 5.239 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.631 3.727 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.213 6.309 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.651 5.668 4.454 1.00 0.00 H new ATOM 45 N MET A 4 -18.675 3.683 -0.507 1.00 0.00 N ATOM 46 CA MET A 4 -18.995 2.963 -1.736 1.00 0.00 C ATOM 47 C MET A 4 -18.445 1.541 -1.689 1.00 0.00 C ATOM 48 O MET A 4 -18.887 0.667 -2.436 1.00 0.00 O ATOM 49 CB MET A 4 -18.424 3.702 -2.949 1.00 0.00 C ATOM 50 CG MET A 4 -16.907 3.799 -2.943 1.00 0.00 C ATOM 51 SD MET A 4 -16.262 4.697 -4.367 1.00 0.00 S ATOM 52 CE MET A 4 -14.499 4.493 -4.125 1.00 0.00 C ATOM 0 H MET A 4 -17.966 4.408 -0.615 1.00 0.00 H new ATOM 0 HA MET A 4 -20.080 2.913 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 4 -18.744 3.193 -3.858 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.844 4.707 -2.982 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.582 4.295 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.483 2.795 -2.929 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.961 4.995 -4.929 1.00 0.00 H new ATOM 0 HE2 MET A 4 -14.210 4.928 -3.168 1.00 0.00 H new ATOM 0 HE3 MET A 4 -14.251 3.432 -4.130 1.00 0.00 H new ATOM 62 N GLY A 5 -17.479 1.319 -0.804 1.00 0.00 N ATOM 63 CA GLY A 5 -16.874 0.006 -0.672 1.00 0.00 C ATOM 64 C GLY A 5 -15.425 0.087 -0.236 1.00 0.00 C ATOM 65 O GLY A 5 -15.073 -0.359 0.857 1.00 0.00 O ATOM 0 H GLY A 5 -17.103 2.027 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.438 -0.581 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.936 -0.519 -1.625 1.00 0.00 H new ATOM 69 N SER A 6 -14.586 0.661 -1.095 1.00 0.00 N ATOM 70 CA SER A 6 -13.163 0.809 -0.803 1.00 0.00 C ATOM 71 C SER A 6 -12.534 -0.531 -0.434 1.00 0.00 C ATOM 72 O SER A 6 -12.457 -0.888 0.742 1.00 0.00 O ATOM 73 CB SER A 6 -12.956 1.813 0.331 1.00 0.00 C ATOM 74 OG SER A 6 -13.458 3.091 -0.020 1.00 0.00 O ATOM 0 H SER A 6 -14.869 1.032 -2.002 1.00 0.00 H new ATOM 0 HA SER A 6 -12.673 1.180 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.457 1.457 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.894 1.888 0.565 1.00 0.00 H new ATOM 0 HG SER A 6 -13.315 3.714 0.723 1.00 0.00 H new ATOM 80 N LYS A 7 -12.081 -1.266 -1.444 1.00 0.00 N ATOM 81 CA LYS A 7 -11.457 -2.565 -1.220 1.00 0.00 C ATOM 82 C LYS A 7 -9.962 -2.408 -0.968 1.00 0.00 C ATOM 83 O LYS A 7 -9.195 -3.364 -1.093 1.00 0.00 O ATOM 84 CB LYS A 7 -11.695 -3.486 -2.418 1.00 0.00 C ATOM 85 CG LYS A 7 -11.024 -3.014 -3.699 1.00 0.00 C ATOM 86 CD LYS A 7 -11.337 -3.937 -4.862 1.00 0.00 C ATOM 87 CE LYS A 7 -10.491 -3.606 -6.081 1.00 0.00 C ATOM 88 NZ LYS A 7 -9.038 -3.788 -5.815 1.00 0.00 N ATOM 0 H LYS A 7 -12.134 -0.985 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.912 -3.013 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.331 -4.484 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.768 -3.571 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.358 -2.003 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.945 -2.967 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.160 -4.971 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.393 -3.855 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.790 -4.242 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.678 -2.576 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.530 -3.888 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.673 -2.961 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.895 -4.643 -5.240 1.00 0.00 H new ATOM 102 N GLY A 8 -9.556 -1.194 -0.611 1.00 0.00 N ATOM 103 CA GLY A 8 -8.155 -0.925 -0.344 1.00 0.00 C ATOM 104 C GLY A 8 -7.503 -0.112 -1.440 1.00 0.00 C ATOM 105 O GLY A 8 -6.482 0.539 -1.218 1.00 0.00 O ATOM 0 H GLY A 8 -10.174 -0.390 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.065 -0.392 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.622 -1.869 -0.230 1.00 0.00 H new ATOM 109 N VAL A 9 -8.093 -0.155 -2.627 1.00 0.00 N ATOM 110 CA VAL A 9 -7.573 0.583 -3.771 1.00 0.00 C ATOM 111 C VAL A 9 -7.513 2.072 -3.472 1.00 0.00 C ATOM 112 O VAL A 9 -6.566 2.762 -3.848 1.00 0.00 O ATOM 113 CB VAL A 9 -8.433 0.339 -5.027 1.00 0.00 C ATOM 114 CG1 VAL A 9 -9.643 1.258 -5.062 1.00 0.00 C ATOM 115 CG2 VAL A 9 -7.598 0.493 -6.287 1.00 0.00 C ATOM 0 H VAL A 9 -8.935 -0.695 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.564 0.220 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.802 -0.686 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.226 1.058 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.261 1.080 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.311 2.296 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.224 0.317 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.189 1.502 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.782 -0.229 -6.273 1.00 0.00 H new ATOM 125 N THR A 10 -8.540 2.546 -2.793 1.00 0.00 N ATOM 126 CA THR A 10 -8.645 3.953 -2.423 1.00 0.00 C ATOM 127 C THR A 10 -8.299 4.169 -0.954 1.00 0.00 C ATOM 128 O THR A 10 -7.605 5.123 -0.603 1.00 0.00 O ATOM 129 CB THR A 10 -10.060 4.497 -2.686 1.00 0.00 C ATOM 130 OG1 THR A 10 -10.459 4.204 -4.030 1.00 0.00 O ATOM 131 CG2 THR A 10 -10.115 6.001 -2.454 1.00 0.00 C ATOM 0 H THR A 10 -9.324 1.973 -2.481 1.00 0.00 H new ATOM 0 HA THR A 10 -7.930 4.493 -3.044 1.00 0.00 H new ATOM 0 HB THR A 10 -10.744 4.011 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.361 4.553 -4.187 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.125 6.362 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.842 6.220 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.417 6.499 -3.128 1.00 0.00 H new ATOM 139 N ALA A 11 -8.791 3.275 -0.102 1.00 0.00 N ATOM 140 CA ALA A 11 -8.548 3.365 1.332 1.00 0.00 C ATOM 141 C ALA A 11 -7.064 3.258 1.634 1.00 0.00 C ATOM 142 O ALA A 11 -6.595 3.729 2.669 1.00 0.00 O ATOM 143 CB ALA A 11 -9.319 2.282 2.069 1.00 0.00 C ATOM 0 H ALA A 11 -9.362 2.478 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.898 4.338 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.127 2.363 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.386 2.403 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.998 1.302 1.716 1.00 0.00 H new ATOM 149 N GLY A 12 -6.333 2.627 0.727 1.00 0.00 N ATOM 150 CA GLY A 12 -4.905 2.487 0.905 1.00 0.00 C ATOM 151 C GLY A 12 -4.145 3.396 -0.028 1.00 0.00 C ATOM 152 O GLY A 12 -2.939 3.584 0.123 1.00 0.00 O ATOM 0 H GLY A 12 -6.704 2.211 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.641 2.718 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.614 1.452 0.725 1.00 0.00 H new ATOM 156 N LYS A 13 -4.857 3.955 -1.001 1.00 0.00 N ATOM 157 CA LYS A 13 -4.262 4.869 -1.950 1.00 0.00 C ATOM 158 C LYS A 13 -3.629 6.016 -1.187 1.00 0.00 C ATOM 159 O LYS A 13 -2.534 6.480 -1.510 1.00 0.00 O ATOM 160 CB LYS A 13 -5.330 5.396 -2.910 1.00 0.00 C ATOM 161 CG LYS A 13 -4.836 5.578 -4.333 1.00 0.00 C ATOM 162 CD LYS A 13 -3.503 6.305 -4.364 1.00 0.00 C ATOM 163 CE LYS A 13 -3.152 6.777 -5.765 1.00 0.00 C ATOM 164 NZ LYS A 13 -4.162 7.730 -6.300 1.00 0.00 N ATOM 0 H LYS A 13 -5.852 3.785 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.501 4.353 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.174 4.707 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.700 6.352 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.733 4.604 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.573 6.140 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.540 7.161 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.719 5.643 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.173 7.256 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.077 5.916 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.743 8.279 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.985 7.201 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.465 8.376 -5.543 1.00 0.00 H new ATOM 178 N ILE A 14 -4.343 6.461 -0.163 1.00 0.00 N ATOM 179 CA ILE A 14 -3.882 7.530 0.697 1.00 0.00 C ATOM 180 C ILE A 14 -2.561 7.151 1.345 1.00 0.00 C ATOM 181 O ILE A 14 -1.667 7.982 1.498 1.00 0.00 O ATOM 182 CB ILE A 14 -4.904 7.806 1.803 1.00 0.00 C ATOM 183 CG1 ILE A 14 -5.442 6.478 2.347 1.00 0.00 C ATOM 184 CG2 ILE A 14 -6.035 8.680 1.281 1.00 0.00 C ATOM 185 CD1 ILE A 14 -6.192 6.610 3.652 1.00 0.00 C ATOM 0 H ILE A 14 -5.258 6.088 0.091 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.753 8.422 0.084 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.416 8.346 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.103 6.033 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.609 5.789 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.751 8.865 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.629 9.629 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.536 8.173 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.541 5.628 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.530 7.025 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.047 7.272 3.515 1.00 0.00 H new ATOM 197 N ALA A 15 -2.449 5.883 1.726 1.00 0.00 N ATOM 198 CA ALA A 15 -1.238 5.384 2.364 1.00 0.00 C ATOM 199 C ALA A 15 -0.094 5.323 1.366 1.00 0.00 C ATOM 200 O ALA A 15 1.035 5.695 1.680 1.00 0.00 O ATOM 201 CB ALA A 15 -1.482 4.020 2.985 1.00 0.00 C ATOM 0 H ALA A 15 -3.181 5.184 1.604 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.961 6.075 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.565 3.665 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.269 4.097 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.787 3.317 2.210 1.00 0.00 H new ATOM 207 N SER A 16 -0.388 4.839 0.167 1.00 0.00 N ATOM 208 CA SER A 16 0.616 4.758 -0.880 1.00 0.00 C ATOM 209 C SER A 16 1.101 6.159 -1.224 1.00 0.00 C ATOM 210 O SER A 16 2.194 6.342 -1.758 1.00 0.00 O ATOM 211 CB SER A 16 0.039 4.079 -2.125 1.00 0.00 C ATOM 212 OG SER A 16 1.004 4.007 -3.161 1.00 0.00 O ATOM 0 H SER A 16 -1.311 4.498 -0.102 1.00 0.00 H new ATOM 0 HA SER A 16 1.455 4.161 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.301 3.075 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.833 4.633 -2.474 1.00 0.00 H new ATOM 0 HG SER A 16 0.611 3.568 -3.944 1.00 0.00 H new ATOM 218 N ASN A 17 0.264 7.145 -0.907 1.00 0.00 N ATOM 219 CA ASN A 17 0.590 8.542 -1.164 1.00 0.00 C ATOM 220 C ASN A 17 1.626 9.037 -0.162 1.00 0.00 C ATOM 221 O ASN A 17 2.581 9.720 -0.528 1.00 0.00 O ATOM 222 CB ASN A 17 -0.672 9.406 -1.092 1.00 0.00 C ATOM 223 CG ASN A 17 -0.398 10.861 -1.424 1.00 0.00 C ATOM 224 OD1 ASN A 17 -0.101 11.665 -0.540 1.00 0.00 O ATOM 225 ND2 ASN A 17 -0.501 11.205 -2.702 1.00 0.00 N ATOM 0 H ASN A 17 -0.646 6.999 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 17 1.009 8.621 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.418 9.013 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.098 9.339 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.331 12.170 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.750 10.504 -3.400 1.00 0.00 H new ATOM 232 N VAL A 18 1.427 8.689 1.108 1.00 0.00 N ATOM 233 CA VAL A 18 2.349 9.092 2.162 1.00 0.00 C ATOM 234 C VAL A 18 3.617 8.246 2.126 1.00 0.00 C ATOM 235 O VAL A 18 4.692 8.704 2.515 1.00 0.00 O ATOM 236 CB VAL A 18 1.701 8.987 3.564 1.00 0.00 C ATOM 237 CG1 VAL A 18 0.285 9.543 3.544 1.00 0.00 C ATOM 238 CG2 VAL A 18 1.699 7.550 4.067 1.00 0.00 C ATOM 0 H VAL A 18 0.637 8.130 1.429 1.00 0.00 H new ATOM 0 HA VAL A 18 2.604 10.136 1.978 1.00 0.00 H new ATOM 0 HB VAL A 18 2.301 9.583 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.153 9.460 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.310 10.591 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.318 8.977 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.237 7.511 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.134 6.924 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.724 7.186 4.131 1.00 0.00 H new ATOM 248 N GLN A 19 3.483 7.009 1.654 1.00 0.00 N ATOM 249 CA GLN A 19 4.615 6.097 1.579 1.00 0.00 C ATOM 250 C GLN A 19 5.594 6.535 0.498 1.00 0.00 C ATOM 251 O GLN A 19 6.802 6.335 0.623 1.00 0.00 O ATOM 252 CB GLN A 19 4.136 4.674 1.301 1.00 0.00 C ATOM 253 CG GLN A 19 5.168 3.619 1.639 1.00 0.00 C ATOM 254 CD GLN A 19 4.905 2.293 0.949 1.00 0.00 C ATOM 255 OE1 GLN A 19 4.319 2.347 -0.243 1.00 0.00 O flip ATOM 256 NE2 GLN A 19 5.228 1.231 1.481 1.00 0.00 N flip ATOM 0 H GLN A 19 2.602 6.618 1.319 1.00 0.00 H new ATOM 0 HA GLN A 19 5.128 6.117 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.230 4.484 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.869 4.587 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.156 3.981 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.183 3.465 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.676 1.235 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.048 0.347 1.005 1.00 0.00 H new ATOM 265 N LYS A 20 5.062 7.127 -0.565 1.00 0.00 N ATOM 266 CA LYS A 20 5.888 7.601 -1.668 1.00 0.00 C ATOM 267 C LYS A 20 6.892 8.634 -1.167 1.00 0.00 C ATOM 268 O LYS A 20 8.022 8.707 -1.650 1.00 0.00 O ATOM 269 CB LYS A 20 5.006 8.200 -2.768 1.00 0.00 C ATOM 270 CG LYS A 20 4.762 9.692 -2.613 1.00 0.00 C ATOM 271 CD LYS A 20 3.546 10.151 -3.406 1.00 0.00 C ATOM 272 CE LYS A 20 3.781 10.046 -4.905 1.00 0.00 C ATOM 273 NZ LYS A 20 2.622 10.559 -5.685 1.00 0.00 N ATOM 0 H LYS A 20 4.062 7.290 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 20 6.438 6.757 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.473 8.016 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.046 7.683 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.619 9.929 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.642 10.241 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.682 9.547 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.310 11.183 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.676 10.608 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.966 9.005 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.821 10.470 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.773 10.007 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.461 11.559 -5.450 1.00 0.00 H new ATOM 287 N LYS A 21 6.463 9.431 -0.191 1.00 0.00 N ATOM 288 CA LYS A 21 7.316 10.455 0.393 1.00 0.00 C ATOM 289 C LYS A 21 8.411 9.814 1.235 1.00 0.00 C ATOM 290 O LYS A 21 9.454 10.418 1.484 1.00 0.00 O ATOM 291 CB LYS A 21 6.480 11.412 1.245 1.00 0.00 C ATOM 292 CG LYS A 21 5.938 12.604 0.471 1.00 0.00 C ATOM 293 CD LYS A 21 5.217 13.583 1.384 1.00 0.00 C ATOM 294 CE LYS A 21 3.878 13.033 1.852 1.00 0.00 C ATOM 295 NZ LYS A 21 2.902 12.917 0.733 1.00 0.00 N ATOM 0 H LYS A 21 5.527 9.384 0.211 1.00 0.00 H new ATOM 0 HA LYS A 21 7.785 11.022 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.645 10.862 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.089 11.774 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.758 13.114 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.254 12.256 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.843 13.803 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.060 14.524 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.027 12.054 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.469 13.684 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.943 12.804 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.941 13.776 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.140 12.090 0.149 1.00 0.00 H new ATOM 309 N LEU A 22 8.161 8.583 1.670 1.00 0.00 N ATOM 310 CA LEU A 22 9.120 7.842 2.475 1.00 0.00 C ATOM 311 C LEU A 22 10.090 7.081 1.586 1.00 0.00 C ATOM 312 O LEU A 22 11.207 6.768 1.991 1.00 0.00 O ATOM 313 CB LEU A 22 8.390 6.875 3.403 1.00 0.00 C ATOM 314 CG LEU A 22 7.772 7.517 4.643 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.040 6.473 5.469 1.00 0.00 C ATOM 316 CD2 LEU A 22 8.847 8.201 5.473 1.00 0.00 C ATOM 0 H LEU A 22 7.297 8.077 1.476 1.00 0.00 H new ATOM 0 HA LEU A 22 9.687 8.552 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.602 6.377 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.090 6.102 3.722 1.00 0.00 H new ATOM 0 HG LEU A 22 7.051 8.270 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.605 6.945 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.248 6.024 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.741 5.699 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.393 8.655 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.589 7.466 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.331 8.974 4.876 1.00 0.00 H new ATOM 328 N THR A 23 9.643 6.784 0.375 1.00 0.00 N ATOM 329 CA THR A 23 10.459 6.066 -0.596 1.00 0.00 C ATOM 330 C THR A 23 11.702 6.868 -0.961 1.00 0.00 C ATOM 331 O THR A 23 12.808 6.332 -0.994 1.00 0.00 O ATOM 332 CB THR A 23 9.664 5.778 -1.880 1.00 0.00 C ATOM 333 OG1 THR A 23 8.436 5.111 -1.558 1.00 0.00 O ATOM 334 CG2 THR A 23 10.474 4.922 -2.841 1.00 0.00 C ATOM 0 H THR A 23 8.712 7.031 0.038 1.00 0.00 H new ATOM 0 HA THR A 23 10.755 5.124 -0.133 1.00 0.00 H new ATOM 0 HB THR A 23 9.445 6.730 -2.364 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.908 5.672 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.889 4.733 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.392 5.445 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.722 3.974 -2.363 1.00 0.00 H new ATOM 342 N ARG A 24 11.506 8.155 -1.243 1.00 0.00 N ATOM 343 CA ARG A 24 12.611 9.036 -1.605 1.00 0.00 C ATOM 344 C ARG A 24 13.703 8.970 -0.552 1.00 0.00 C ATOM 345 O ARG A 24 14.894 8.956 -0.868 1.00 0.00 O ATOM 346 CB ARG A 24 12.118 10.477 -1.757 1.00 0.00 C ATOM 347 CG ARG A 24 10.953 10.629 -2.722 1.00 0.00 C ATOM 348 CD ARG A 24 11.365 10.327 -4.155 1.00 0.00 C ATOM 349 NE ARG A 24 10.265 10.536 -5.095 1.00 0.00 N ATOM 350 CZ ARG A 24 10.416 10.548 -6.416 1.00 0.00 C ATOM 351 NH1 ARG A 24 11.614 10.360 -6.953 1.00 0.00 N ATOM 352 NH2 ARG A 24 9.366 10.748 -7.202 1.00 0.00 N ATOM 0 H ARG A 24 10.593 8.609 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 24 13.019 8.703 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.819 10.854 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.945 11.100 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.146 9.958 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.561 11.644 -2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.205 10.963 -4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.710 9.295 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 24 9.329 10.681 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.424 10.205 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.726 10.370 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.443 10.893 -6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.482 10.757 -8.215 1.00 0.00 H new ATOM 366 N ALA A 25 13.282 8.932 0.702 1.00 0.00 N ATOM 367 CA ALA A 25 14.207 8.850 1.823 1.00 0.00 C ATOM 368 C ALA A 25 14.739 7.431 1.955 1.00 0.00 C ATOM 369 O ALA A 25 15.888 7.211 2.338 1.00 0.00 O ATOM 370 CB ALA A 25 13.525 9.287 3.110 1.00 0.00 C ATOM 0 H ALA A 25 12.298 8.957 0.971 1.00 0.00 H new ATOM 0 HA ALA A 25 15.045 9.522 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.231 9.219 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.183 10.317 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.671 8.639 3.308 1.00 0.00 H new ATOM 376 N GLN A 26 13.878 6.473 1.633 1.00 0.00 N ATOM 377 CA GLN A 26 14.217 5.062 1.707 1.00 0.00 C ATOM 378 C GLN A 26 15.346 4.718 0.740 1.00 0.00 C ATOM 379 O GLN A 26 16.134 3.807 0.991 1.00 0.00 O ATOM 380 CB GLN A 26 12.980 4.219 1.386 1.00 0.00 C ATOM 381 CG GLN A 26 12.985 2.857 2.053 1.00 0.00 C ATOM 382 CD GLN A 26 11.686 2.099 1.848 1.00 0.00 C ATOM 383 OE1 GLN A 26 10.584 2.831 1.723 1.00 0.00 O flip ATOM 384 NE2 GLN A 26 11.674 0.870 1.804 1.00 0.00 N flip ATOM 0 H GLN A 26 12.926 6.655 1.314 1.00 0.00 H new ATOM 0 HA GLN A 26 14.558 4.841 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.089 4.764 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.911 4.086 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.812 2.267 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.164 2.981 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.544 0.348 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.794 0.373 1.667 1.00 0.00 H new ATOM 393 N GLU A 27 15.416 5.449 -0.368 1.00 0.00 N ATOM 394 CA GLU A 27 16.446 5.215 -1.372 1.00 0.00 C ATOM 395 C GLU A 27 17.796 5.747 -0.907 1.00 0.00 C ATOM 396 O GLU A 27 18.839 5.158 -1.190 1.00 0.00 O ATOM 397 CB GLU A 27 16.053 5.874 -2.695 1.00 0.00 C ATOM 398 CG GLU A 27 15.922 4.893 -3.848 1.00 0.00 C ATOM 399 CD GLU A 27 15.584 5.575 -5.158 1.00 0.00 C ATOM 400 OE1 GLU A 27 16.521 5.979 -5.877 1.00 0.00 O ATOM 401 OE2 GLU A 27 14.380 5.706 -5.467 1.00 0.00 O ATOM 0 H GLU A 27 14.772 6.207 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 27 16.535 4.139 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.105 6.396 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.799 6.626 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.856 4.343 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.148 4.163 -3.613 1.00 0.00 H new ATOM 408 N LYS A 28 17.764 6.862 -0.190 1.00 0.00 N ATOM 409 CA LYS A 28 18.970 7.490 0.317 1.00 0.00 C ATOM 410 C LYS A 28 19.773 6.542 1.203 1.00 0.00 C ATOM 411 O LYS A 28 20.986 6.404 1.044 1.00 0.00 O ATOM 412 CB LYS A 28 18.589 8.739 1.103 1.00 0.00 C ATOM 413 CG LYS A 28 18.150 9.907 0.230 1.00 0.00 C ATOM 414 CD LYS A 28 19.271 10.389 -0.680 1.00 0.00 C ATOM 415 CE LYS A 28 20.412 11.008 0.111 1.00 0.00 C ATOM 416 NZ LYS A 28 21.519 11.464 -0.774 1.00 0.00 N ATOM 0 H LYS A 28 16.904 7.353 0.054 1.00 0.00 H new ATOM 0 HA LYS A 28 19.600 7.756 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.782 8.490 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.441 9.050 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.295 9.606 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.818 10.729 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.648 9.552 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.878 11.122 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.037 11.853 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.795 10.280 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.277 11.880 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.895 10.653 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.160 12.178 -1.439 1.00 0.00 H new ATOM 430 N VAL A 29 19.089 5.890 2.138 1.00 0.00 N ATOM 431 CA VAL A 29 19.736 4.970 3.061 1.00 0.00 C ATOM 432 C VAL A 29 20.211 3.694 2.368 1.00 0.00 C ATOM 433 O VAL A 29 21.323 3.226 2.610 1.00 0.00 O ATOM 434 CB VAL A 29 18.790 4.598 4.218 1.00 0.00 C ATOM 435 CG1 VAL A 29 18.449 5.831 5.039 1.00 0.00 C ATOM 436 CG2 VAL A 29 17.524 3.932 3.699 1.00 0.00 C ATOM 0 H VAL A 29 18.083 5.984 2.275 1.00 0.00 H new ATOM 0 HA VAL A 29 20.610 5.489 3.454 1.00 0.00 H new ATOM 0 HB VAL A 29 19.304 3.883 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.780 5.552 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 29 19.363 6.258 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.959 6.568 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.875 3.680 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.002 4.615 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.787 3.023 3.158 1.00 0.00 H new ATOM 446 N LEU A 30 19.364 3.138 1.512 1.00 0.00 N ATOM 447 CA LEU A 30 19.688 1.909 0.788 1.00 0.00 C ATOM 448 C LEU A 30 20.981 2.039 -0.017 1.00 0.00 C ATOM 449 O LEU A 30 21.670 1.047 -0.257 1.00 0.00 O ATOM 450 CB LEU A 30 18.535 1.532 -0.143 1.00 0.00 C ATOM 451 CG LEU A 30 17.595 0.441 0.381 1.00 0.00 C ATOM 452 CD1 LEU A 30 18.311 -0.900 0.434 1.00 0.00 C ATOM 453 CD2 LEU A 30 17.053 0.811 1.756 1.00 0.00 C ATOM 0 H LEU A 30 18.442 3.519 1.299 1.00 0.00 H new ATOM 0 HA LEU A 30 19.838 1.124 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.947 2.427 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.952 1.202 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 30 16.754 0.356 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.628 -1.663 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.647 -1.173 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.172 -0.827 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 16.388 0.023 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.882 0.927 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.501 1.749 1.689 1.00 0.00 H new ATOM 465 N GLN A 31 21.308 3.258 -0.432 1.00 0.00 N ATOM 466 CA GLN A 31 22.511 3.499 -1.224 1.00 0.00 C ATOM 467 C GLN A 31 23.759 3.626 -0.356 1.00 0.00 C ATOM 468 O GLN A 31 24.872 3.384 -0.822 1.00 0.00 O ATOM 469 CB GLN A 31 22.334 4.760 -2.066 1.00 0.00 C ATOM 470 CG GLN A 31 21.186 4.670 -3.057 1.00 0.00 C ATOM 471 CD GLN A 31 21.534 3.845 -4.282 1.00 0.00 C ATOM 472 OE1 GLN A 31 22.694 3.776 -4.689 1.00 0.00 O ATOM 473 NE2 GLN A 31 20.527 3.220 -4.881 1.00 0.00 N ATOM 0 H GLN A 31 20.758 4.094 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 31 22.652 2.635 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 31 22.166 5.609 -1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.258 4.957 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 31 20.319 4.232 -2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 31 20.901 5.675 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 31 19.581 3.305 -4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 31 20.700 2.655 -5.713 1.00 0.00 H new ATOM 482 N LYS A 32 23.573 4.002 0.899 1.00 0.00 N ATOM 483 CA LYS A 32 24.696 4.174 1.816 1.00 0.00 C ATOM 484 C LYS A 32 24.824 3.007 2.793 1.00 0.00 C ATOM 485 O LYS A 32 25.840 2.872 3.478 1.00 0.00 O ATOM 486 CB LYS A 32 24.551 5.491 2.582 1.00 0.00 C ATOM 487 CG LYS A 32 23.212 5.656 3.291 1.00 0.00 C ATOM 488 CD LYS A 32 23.199 4.981 4.657 1.00 0.00 C ATOM 489 CE LYS A 32 24.173 5.643 5.621 1.00 0.00 C ATOM 490 NZ LYS A 32 24.131 5.016 6.971 1.00 0.00 N ATOM 0 H LYS A 32 22.659 4.194 1.308 1.00 0.00 H new ATOM 0 HA LYS A 32 25.607 4.199 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.351 5.560 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 32 24.686 6.320 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 32 22.994 6.717 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.420 5.235 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.192 5.020 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 32 23.457 3.928 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 32 25.184 5.574 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.936 6.703 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.809 5.495 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.173 5.104 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.382 4.010 6.894 1.00 0.00 H new ATOM 504 N LEU A 33 23.797 2.167 2.858 1.00 0.00 N ATOM 505 CA LEU A 33 23.807 1.021 3.758 1.00 0.00 C ATOM 506 C LEU A 33 24.394 -0.205 3.069 1.00 0.00 C ATOM 507 O LEU A 33 25.060 -1.027 3.698 1.00 0.00 O ATOM 508 CB LEU A 33 22.387 0.717 4.243 1.00 0.00 C ATOM 509 CG LEU A 33 22.245 0.482 5.749 1.00 0.00 C ATOM 510 CD1 LEU A 33 23.148 -0.653 6.200 1.00 0.00 C ATOM 511 CD2 LEU A 33 22.560 1.756 6.519 1.00 0.00 C ATOM 0 H LEU A 33 22.949 2.258 2.299 1.00 0.00 H new ATOM 0 HA LEU A 33 24.433 1.268 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 21.739 1.546 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 22.023 -0.167 3.718 1.00 0.00 H new ATOM 0 HG LEU A 33 21.213 0.201 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 33 23.033 -0.805 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 22.875 -1.567 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 33 24.185 -0.403 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 33 22.454 1.571 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 33 23.582 2.068 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.870 2.544 6.217 1.00 0.00 H new ATOM 523 N TYR A 34 24.140 -0.321 1.770 1.00 0.00 N ATOM 524 CA TYR A 34 24.637 -1.446 0.989 1.00 0.00 C ATOM 525 C TYR A 34 25.666 -0.983 -0.040 1.00 0.00 C ATOM 526 O TYR A 34 25.256 -0.610 -1.159 1.00 0.00 O ATOM 527 CB TYR A 34 23.477 -2.153 0.289 1.00 0.00 C ATOM 528 CG TYR A 34 22.475 -2.762 1.245 1.00 0.00 C ATOM 529 CD1 TYR A 34 21.456 -1.993 1.795 1.00 0.00 C ATOM 530 CD2 TYR A 34 22.549 -4.104 1.598 1.00 0.00 C ATOM 531 CE1 TYR A 34 20.540 -2.545 2.670 1.00 0.00 C ATOM 532 CE2 TYR A 34 21.636 -4.662 2.473 1.00 0.00 C ATOM 533 CZ TYR A 34 20.634 -3.879 3.006 1.00 0.00 C ATOM 534 OH TYR A 34 19.723 -4.430 3.877 1.00 0.00 O ATOM 535 OXT TYR A 34 26.872 -0.999 0.283 1.00 0.00 O ATOM 0 H TYR A 34 23.591 0.353 1.235 1.00 0.00 H new ATOM 0 HA TYR A 34 25.124 -2.145 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 34 22.964 -1.440 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 34 23.875 -2.937 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 34 21.379 -0.948 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 34 23.332 -4.721 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.754 -1.934 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 34 21.707 -5.707 2.738 1.00 0.00 H new ATOM 0 HH TYR A 34 19.928 -5.379 4.008 1.00 0.00 H new TER 545 TYR A 34