USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 GLY N :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -77:sc= 0.141 USER MOD Single : A 9 SER OG : rot -30:sc= 1.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.74) USER MOD Single : A 18 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00691 X(o=-0.0069,f=-0.045) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.026 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.694 K(o=0.69,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.562 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.788 10.355 -2.039 1.00 0.00 N ATOM 2 CA GLY A 1 -3.835 8.919 -2.388 1.00 0.00 C ATOM 3 C GLY A 1 -2.770 8.568 -3.412 1.00 0.00 C ATOM 4 O GLY A 1 -2.021 9.432 -3.873 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.526 10.566 -1.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.856 10.585 -1.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.949 10.925 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.691 8.319 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.820 8.670 -2.784 1.00 0.00 H new ATOM 10 N ILE A 2 -2.658 7.288 -3.765 1.00 0.00 N ATOM 11 CA ILE A 2 -1.503 6.772 -4.528 1.00 0.00 C ATOM 12 C ILE A 2 -1.526 7.100 -6.019 1.00 0.00 C ATOM 13 O ILE A 2 -0.456 7.172 -6.607 1.00 0.00 O ATOM 14 CB ILE A 2 -1.264 5.269 -4.272 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.463 4.376 -4.656 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.866 5.096 -2.798 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.142 2.880 -4.614 1.00 0.00 C ATOM 0 H ILE A 2 -3.354 6.578 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.646 7.319 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.459 4.930 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.292 4.582 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.798 4.641 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.691 4.040 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.044 5.661 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.669 5.464 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.028 2.310 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.334 2.662 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.836 2.602 -3.606 1.00 0.00 H new ATOM 29 N VAL A 3 -2.685 7.368 -6.621 1.00 0.00 N ATOM 30 CA VAL A 3 -2.774 7.721 -8.057 1.00 0.00 C ATOM 31 C VAL A 3 -1.958 8.980 -8.381 1.00 0.00 C ATOM 32 O VAL A 3 -1.294 9.026 -9.418 1.00 0.00 O ATOM 33 CB VAL A 3 -4.238 7.893 -8.518 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.390 8.482 -9.933 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.960 6.537 -8.514 1.00 0.00 C ATOM 0 H VAL A 3 -3.585 7.350 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.345 6.886 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.674 8.596 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.448 8.570 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.926 9.468 -9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.903 7.826 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.991 6.673 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.451 5.852 -9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.951 6.123 -7.506 1.00 0.00 H new ATOM 45 N GLU A 4 -1.952 9.966 -7.479 1.00 0.00 N ATOM 46 CA GLU A 4 -1.031 11.099 -7.557 1.00 0.00 C ATOM 47 C GLU A 4 0.358 10.700 -7.039 1.00 0.00 C ATOM 48 O GLU A 4 1.329 10.815 -7.787 1.00 0.00 O ATOM 49 CB GLU A 4 -1.582 12.308 -6.786 1.00 0.00 C ATOM 50 CG GLU A 4 -2.837 12.913 -7.432 1.00 0.00 C ATOM 51 CD GLU A 4 -2.571 13.489 -8.833 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.929 14.562 -8.936 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.020 12.885 -9.836 1.00 0.00 O ATOM 0 H GLU A 4 -2.583 10.000 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.933 11.389 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.816 12.005 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.809 13.074 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.609 12.147 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.226 13.702 -6.788 1.00 0.00 H new ATOM 60 N GLN A 5 0.468 10.209 -5.794 1.00 0.00 N ATOM 61 CA GLN A 5 1.761 10.068 -5.109 1.00 0.00 C ATOM 62 C GLN A 5 2.741 9.115 -5.818 1.00 0.00 C ATOM 63 O GLN A 5 3.926 9.439 -5.915 1.00 0.00 O ATOM 64 CB GLN A 5 1.511 9.628 -3.655 1.00 0.00 C ATOM 65 CG GLN A 5 2.787 9.675 -2.795 1.00 0.00 C ATOM 66 CD GLN A 5 2.505 9.293 -1.342 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.367 10.133 -0.461 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.383 8.019 -1.023 1.00 0.00 N ATOM 0 H GLN A 5 -0.330 9.901 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 5 2.250 11.042 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.753 10.272 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.111 8.614 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.532 8.997 -3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.213 10.677 -2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.494 7.301 -1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.178 7.752 -0.060 1.00 0.00 H new ATOM 77 N CYS A 6 2.277 7.973 -6.345 1.00 0.00 N ATOM 78 CA CYS A 6 3.129 7.053 -7.112 1.00 0.00 C ATOM 79 C CYS A 6 3.547 7.625 -8.469 1.00 0.00 C ATOM 80 O CYS A 6 4.533 7.178 -9.056 1.00 0.00 O ATOM 81 CB CYS A 6 2.392 5.730 -7.343 1.00 0.00 C ATOM 82 SG CYS A 6 2.367 4.564 -5.958 1.00 0.00 S ATOM 0 H CYS A 6 1.310 7.663 -6.253 1.00 0.00 H new ATOM 0 HA CYS A 6 4.032 6.897 -6.521 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.361 5.957 -7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.846 5.232 -8.200 1.00 0.00 H new ATOM 87 N CYS A 7 2.805 8.598 -8.999 1.00 0.00 N ATOM 88 CA CYS A 7 3.104 9.227 -10.286 1.00 0.00 C ATOM 89 C CYS A 7 4.063 10.419 -10.125 1.00 0.00 C ATOM 90 O CYS A 7 5.021 10.535 -10.896 1.00 0.00 O ATOM 91 CB CYS A 7 1.778 9.598 -10.960 1.00 0.00 C ATOM 92 SG CYS A 7 1.925 10.017 -12.719 1.00 0.00 S ATOM 0 H CYS A 7 1.973 8.975 -8.544 1.00 0.00 H new ATOM 0 HA CYS A 7 3.634 8.529 -10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.084 8.764 -10.854 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.340 10.445 -10.432 1.00 0.00 H new ATOM 97 N THR A 8 3.868 11.251 -9.092 1.00 0.00 N ATOM 98 CA THR A 8 4.695 12.437 -8.784 1.00 0.00 C ATOM 99 C THR A 8 5.978 12.119 -8.018 1.00 0.00 C ATOM 100 O THR A 8 6.905 12.927 -8.037 1.00 0.00 O ATOM 101 CB THR A 8 3.887 13.487 -8.008 1.00 0.00 C ATOM 102 OG1 THR A 8 3.423 12.937 -6.794 1.00 0.00 O ATOM 103 CG2 THR A 8 2.686 13.996 -8.807 1.00 0.00 C ATOM 0 H THR A 8 3.108 11.117 -8.425 1.00 0.00 H new ATOM 0 HA THR A 8 4.994 12.834 -9.754 1.00 0.00 H new ATOM 0 HB THR A 8 4.554 14.328 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.653 12.357 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.145 14.737 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.033 14.453 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.023 13.162 -9.039 1.00 0.00 H new ATOM 111 N SER A 9 6.078 10.952 -7.386 1.00 0.00 N ATOM 112 CA SER A 9 7.241 10.517 -6.605 1.00 0.00 C ATOM 113 C SER A 9 7.433 8.988 -6.662 1.00 0.00 C ATOM 114 O SER A 9 6.592 8.254 -7.188 1.00 0.00 O ATOM 115 CB SER A 9 7.099 11.016 -5.151 1.00 0.00 C ATOM 116 OG SER A 9 6.082 10.344 -4.415 1.00 0.00 O ATOM 0 H SER A 9 5.330 10.259 -7.402 1.00 0.00 H new ATOM 0 HA SER A 9 8.137 10.955 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.052 10.889 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.883 12.084 -5.162 1.00 0.00 H new ATOM 0 HG SER A 9 5.367 10.065 -5.025 1.00 0.00 H new ATOM 122 N ILE A 10 8.546 8.488 -6.119 1.00 0.00 N ATOM 123 CA ILE A 10 8.803 7.043 -5.999 1.00 0.00 C ATOM 124 C ILE A 10 7.930 6.451 -4.883 1.00 0.00 C ATOM 125 O ILE A 10 7.961 6.930 -3.745 1.00 0.00 O ATOM 126 CB ILE A 10 10.310 6.760 -5.775 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.119 7.175 -7.027 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.556 5.276 -5.443 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.633 6.954 -6.925 1.00 0.00 C ATOM 0 H ILE A 10 9.297 9.070 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 10 8.531 6.554 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 10 10.645 7.352 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.743 6.618 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.934 8.230 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.622 5.109 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.015 5.012 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.205 4.656 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.111 7.275 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.030 7.534 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.836 5.896 -6.760 1.00 0.00 H new ATOM 141 N CYS A 11 7.209 5.370 -5.190 1.00 0.00 N ATOM 142 CA CYS A 11 6.490 4.538 -4.219 1.00 0.00 C ATOM 143 C CYS A 11 6.928 3.069 -4.295 1.00 0.00 C ATOM 144 O CYS A 11 7.504 2.619 -5.287 1.00 0.00 O ATOM 145 CB CYS A 11 4.975 4.699 -4.413 1.00 0.00 C ATOM 146 SG CYS A 11 4.296 3.920 -5.897 1.00 0.00 S ATOM 0 H CYS A 11 7.106 5.039 -6.149 1.00 0.00 H new ATOM 0 HA CYS A 11 6.743 4.880 -3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.468 4.285 -3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.741 5.763 -4.442 1.00 0.00 H new ATOM 151 N SER A 12 6.676 2.316 -3.230 1.00 0.00 N ATOM 152 CA SER A 12 7.175 0.941 -3.048 1.00 0.00 C ATOM 153 C SER A 12 6.040 -0.084 -3.171 1.00 0.00 C ATOM 154 O SER A 12 4.892 0.216 -2.837 1.00 0.00 O ATOM 155 CB SER A 12 7.837 0.816 -1.665 1.00 0.00 C ATOM 156 OG SER A 12 8.830 1.818 -1.476 1.00 0.00 O ATOM 0 H SER A 12 6.108 2.643 -2.448 1.00 0.00 H new ATOM 0 HA SER A 12 7.905 0.734 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.078 0.901 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.289 -0.171 -1.563 1.00 0.00 H new ATOM 0 HG SER A 12 9.233 1.716 -0.589 1.00 0.00 H new ATOM 162 N LEU A 13 6.339 -1.330 -3.566 1.00 0.00 N ATOM 163 CA LEU A 13 5.324 -2.386 -3.708 1.00 0.00 C ATOM 164 C LEU A 13 4.607 -2.689 -2.384 1.00 0.00 C ATOM 165 O LEU A 13 3.412 -2.974 -2.360 1.00 0.00 O ATOM 166 CB LEU A 13 5.982 -3.658 -4.269 1.00 0.00 C ATOM 167 CG LEU A 13 6.675 -3.516 -5.645 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.063 -4.912 -6.156 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.836 -2.788 -6.710 1.00 0.00 C ATOM 0 H LEU A 13 7.285 -1.634 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 13 4.564 -2.028 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.720 -4.009 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.219 -4.433 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 13 7.553 -2.891 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.552 -4.821 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.745 -5.382 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.167 -5.524 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.399 -2.734 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.908 -3.334 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.606 -1.780 -6.366 1.00 0.00 H new ATOM 181 N TYR A 14 5.308 -2.528 -1.263 1.00 0.00 N ATOM 182 CA TYR A 14 4.730 -2.603 0.080 1.00 0.00 C ATOM 183 C TYR A 14 3.701 -1.494 0.386 1.00 0.00 C ATOM 184 O TYR A 14 2.798 -1.688 1.203 1.00 0.00 O ATOM 185 CB TYR A 14 5.878 -2.563 1.094 1.00 0.00 C ATOM 186 CG TYR A 14 6.734 -3.814 1.085 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.302 -4.963 1.778 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.940 -3.850 0.357 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.070 -6.143 1.749 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.710 -5.029 0.317 1.00 0.00 C ATOM 191 CZ TYR A 14 8.279 -6.180 1.019 1.00 0.00 C ATOM 192 OH TYR A 14 9.017 -7.324 0.982 1.00 0.00 O ATOM 0 H TYR A 14 6.310 -2.339 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 14 4.170 -3.536 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.508 -1.699 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.466 -2.421 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.377 -4.938 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.275 -2.970 -0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.735 -7.019 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.629 -5.055 -0.249 1.00 0.00 H new ATOM 0 HH TYR A 14 9.818 -7.179 0.436 1.00 0.00 H new ATOM 202 N GLN A 15 3.806 -0.344 -0.284 1.00 0.00 N ATOM 203 CA GLN A 15 2.855 0.769 -0.189 1.00 0.00 C ATOM 204 C GLN A 15 1.712 0.616 -1.201 1.00 0.00 C ATOM 205 O GLN A 15 0.612 1.085 -0.927 1.00 0.00 O ATOM 206 CB GLN A 15 3.577 2.117 -0.375 1.00 0.00 C ATOM 207 CG GLN A 15 4.651 2.411 0.693 1.00 0.00 C ATOM 208 CD GLN A 15 4.113 2.550 2.126 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.918 2.646 2.388 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.981 2.560 3.117 1.00 0.00 N ATOM 0 H GLN A 15 4.576 -0.155 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 15 2.416 0.749 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.045 2.133 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.838 2.918 -0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.391 1.611 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.169 3.331 0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.979 2.481 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.655 2.646 4.080 1.00 0.00 H new ATOM 219 N LEU A 16 1.916 -0.085 -2.325 1.00 0.00 N ATOM 220 CA LEU A 16 0.816 -0.588 -3.159 1.00 0.00 C ATOM 221 C LEU A 16 -0.046 -1.590 -2.371 1.00 0.00 C ATOM 222 O LEU A 16 -1.268 -1.451 -2.321 1.00 0.00 O ATOM 223 CB LEU A 16 1.380 -1.227 -4.446 1.00 0.00 C ATOM 224 CG LEU A 16 1.642 -0.238 -5.593 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.834 0.693 -5.359 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.894 -1.035 -6.879 1.00 0.00 C ATOM 0 H LEU A 16 2.843 -0.318 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 16 0.176 0.247 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.313 -1.737 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.682 -1.988 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 16 0.758 0.396 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.950 1.358 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.662 1.285 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.740 0.100 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.082 -0.346 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.760 -1.682 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.019 -1.644 -7.107 1.00 0.00 H new ATOM 238 N GLU A 17 0.594 -2.569 -1.723 1.00 0.00 N ATOM 239 CA GLU A 17 -0.064 -3.613 -0.925 1.00 0.00 C ATOM 240 C GLU A 17 -0.900 -3.054 0.247 1.00 0.00 C ATOM 241 O GLU A 17 -1.902 -3.660 0.627 1.00 0.00 O ATOM 242 CB GLU A 17 1.016 -4.584 -0.417 1.00 0.00 C ATOM 243 CG GLU A 17 0.438 -5.866 0.196 1.00 0.00 C ATOM 244 CD GLU A 17 1.555 -6.822 0.641 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.093 -6.650 1.759 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.894 -7.760 -0.117 1.00 0.00 O ATOM 0 H GLU A 17 1.610 -2.661 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.778 -4.131 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.674 -4.850 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.629 -4.077 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.189 -5.613 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.202 -6.364 -0.532 1.00 0.00 H new ATOM 253 N ASN A 18 -0.535 -1.888 0.794 1.00 0.00 N ATOM 254 CA ASN A 18 -1.241 -1.229 1.902 1.00 0.00 C ATOM 255 C ASN A 18 -2.749 -1.005 1.639 1.00 0.00 C ATOM 256 O ASN A 18 -3.554 -1.016 2.575 1.00 0.00 O ATOM 257 CB ASN A 18 -0.532 0.106 2.181 1.00 0.00 C ATOM 258 CG ASN A 18 -1.177 0.890 3.318 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.036 0.553 4.487 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.908 1.949 3.010 1.00 0.00 N ATOM 0 H ASN A 18 0.278 -1.364 0.472 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.202 -1.889 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.513 -0.087 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.541 0.713 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.358 2.490 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.021 2.224 2.034 1.00 0.00 H new ATOM 267 N TYR A 19 -3.138 -0.803 0.375 1.00 0.00 N ATOM 268 CA TYR A 19 -4.517 -0.531 -0.048 1.00 0.00 C ATOM 269 C TYR A 19 -5.285 -1.785 -0.518 1.00 0.00 C ATOM 270 O TYR A 19 -6.455 -1.691 -0.901 1.00 0.00 O ATOM 271 CB TYR A 19 -4.461 0.554 -1.134 1.00 0.00 C ATOM 272 CG TYR A 19 -3.898 1.867 -0.619 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.732 2.790 0.039 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.520 2.125 -0.728 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.190 3.974 0.585 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.967 3.295 -0.174 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.804 4.229 0.474 1.00 0.00 C ATOM 278 OH TYR A 19 -2.286 5.371 1.006 1.00 0.00 O ATOM 0 H TYR A 19 -2.482 -0.825 -0.406 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.087 -0.184 0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.849 0.201 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.464 0.722 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.790 2.592 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.881 1.421 -1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.833 4.683 1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.905 3.478 -0.245 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.319 5.397 0.847 1.00 0.00 H new ATOM 288 N CYS A 20 -4.651 -2.960 -0.489 1.00 0.00 N ATOM 289 CA CYS A 20 -5.276 -4.254 -0.802 1.00 0.00 C ATOM 290 C CYS A 20 -5.970 -4.914 0.406 1.00 0.00 C ATOM 291 O CYS A 20 -5.718 -4.555 1.561 1.00 0.00 O ATOM 292 CB CYS A 20 -4.224 -5.175 -1.428 1.00 0.00 C ATOM 293 SG CYS A 20 -3.612 -4.568 -3.017 1.00 0.00 S ATOM 0 H CYS A 20 -3.665 -3.043 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.079 -4.072 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.386 -5.282 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.653 -6.168 -1.565 1.00 0.00 H new ATOM 298 N ASN A 21 -6.856 -5.878 0.122 1.00 0.00 N ATOM 299 CA ASN A 21 -7.655 -6.637 1.095 1.00 0.00 C ATOM 300 C ASN A 21 -6.852 -7.784 1.745 1.00 0.00 C ATOM 301 O ASN A 21 -6.757 -8.872 1.135 1.00 0.00 O ATOM 302 CB ASN A 21 -8.944 -7.109 0.375 1.00 0.00 C ATOM 303 CG ASN A 21 -9.902 -7.903 1.258 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.974 -7.447 1.629 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.546 -9.115 1.611 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.358 -7.605 2.879 1.00 0.00 O ATOM 0 H ASN A 21 -7.045 -6.164 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.932 -6.003 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.468 -6.237 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.664 -7.723 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.164 -9.678 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.651 -9.494 1.301 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.757 -6.212 -3.020 1.00 0.00 N ATOM 315 CA PHE B 1 13.013 -4.942 -2.811 1.00 0.00 C ATOM 316 C PHE B 1 12.860 -4.178 -4.137 1.00 0.00 C ATOM 317 O PHE B 1 13.770 -4.213 -4.964 1.00 0.00 O ATOM 318 CB PHE B 1 13.702 -4.069 -1.743 1.00 0.00 C ATOM 319 CG PHE B 1 12.999 -2.752 -1.463 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.886 -2.708 -0.601 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.455 -1.564 -2.069 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.236 -1.486 -0.346 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.801 -0.345 -1.818 1.00 0.00 C ATOM 324 CZ PHE B 1 11.691 -0.305 -0.957 1.00 0.00 C ATOM 0 H1 PHE B 1 14.349 -6.408 -2.188 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.082 -6.991 -3.156 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.361 -6.126 -3.862 1.00 0.00 H new ATOM 0 HA PHE B 1 12.016 -5.187 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.769 -4.636 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.723 -3.861 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.530 -3.615 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE B 1 14.310 -1.590 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.386 -1.456 0.320 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.152 0.562 -2.288 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.189 0.632 -0.765 1.00 0.00 H new ATOM 336 N VAL B 2 11.728 -3.493 -4.356 1.00 0.00 N ATOM 337 CA VAL B 2 11.412 -2.718 -5.576 1.00 0.00 C ATOM 338 C VAL B 2 10.608 -1.469 -5.194 1.00 0.00 C ATOM 339 O VAL B 2 9.663 -1.540 -4.407 1.00 0.00 O ATOM 340 CB VAL B 2 10.610 -3.565 -6.602 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.142 -2.746 -7.818 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.404 -4.777 -7.121 1.00 0.00 C ATOM 0 H VAL B 2 10.977 -3.459 -3.667 1.00 0.00 H new ATOM 0 HA VAL B 2 12.352 -2.428 -6.046 1.00 0.00 H new ATOM 0 HB VAL B 2 9.740 -3.911 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.587 -3.391 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.498 -1.933 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.009 -2.333 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.795 -5.332 -7.834 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.314 -4.433 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.666 -5.426 -6.285 1.00 0.00 H new ATOM 352 N ASN B 3 10.964 -0.340 -5.805 1.00 0.00 N ATOM 353 CA ASN B 3 10.242 0.932 -5.742 1.00 0.00 C ATOM 354 C ASN B 3 10.405 1.735 -7.049 1.00 0.00 C ATOM 355 O ASN B 3 11.444 1.661 -7.713 1.00 0.00 O ATOM 356 CB ASN B 3 10.628 1.715 -4.475 1.00 0.00 C ATOM 357 CG ASN B 3 12.076 2.196 -4.372 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.964 1.833 -5.132 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.356 3.037 -3.393 1.00 0.00 N ATOM 0 H ASN B 3 11.802 -0.284 -6.384 1.00 0.00 H new ATOM 0 HA ASN B 3 9.174 0.730 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.976 2.585 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.417 1.086 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.309 3.381 -3.273 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.620 3.343 -2.757 1.00 0.00 H new ATOM 366 N GLN B 4 9.352 2.434 -7.477 1.00 0.00 N ATOM 367 CA GLN B 4 9.198 2.952 -8.842 1.00 0.00 C ATOM 368 C GLN B 4 8.318 4.218 -8.882 1.00 0.00 C ATOM 369 O GLN B 4 7.564 4.490 -7.950 1.00 0.00 O ATOM 370 CB GLN B 4 8.544 1.868 -9.733 1.00 0.00 C ATOM 371 CG GLN B 4 9.314 0.538 -9.846 1.00 0.00 C ATOM 372 CD GLN B 4 8.659 -0.407 -10.855 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.890 -1.295 -10.508 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.912 -0.247 -12.138 1.00 0.00 N ATOM 0 H GLN B 4 8.563 2.662 -6.872 1.00 0.00 H new ATOM 0 HA GLN B 4 10.191 3.212 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.548 1.657 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.415 2.277 -10.735 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.343 0.737 -10.147 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.355 0.056 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.550 0.488 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.470 -0.858 -12.825 1.00 0.00 H new ATOM 383 N HIS B 5 8.351 4.957 -9.997 1.00 0.00 N ATOM 384 CA HIS B 5 7.221 5.804 -10.408 1.00 0.00 C ATOM 385 C HIS B 5 6.211 4.938 -11.194 1.00 0.00 C ATOM 386 O HIS B 5 6.602 4.169 -12.080 1.00 0.00 O ATOM 387 CB HIS B 5 7.690 6.976 -11.292 1.00 0.00 C ATOM 388 CG HIS B 5 8.274 8.155 -10.555 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.678 9.385 -10.396 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.534 8.250 -10.028 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.559 10.197 -9.793 1.00 0.00 C ATOM 392 NE2 HIS B 5 9.713 9.551 -9.539 1.00 0.00 N ATOM 0 H HIS B 5 9.148 4.987 -10.633 1.00 0.00 H new ATOM 0 HA HIS B 5 6.755 6.222 -9.515 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.436 6.603 -11.993 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.843 7.323 -11.883 1.00 0.00 H new ATOM 0 HD1 HIS B 5 6.733 9.635 -10.686 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.266 7.457 -9.995 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.368 11.231 -9.544 1.00 0.00 H new ATOM 400 N LEU B 6 4.919 5.086 -10.895 1.00 0.00 N ATOM 401 CA LEU B 6 3.802 4.337 -11.478 1.00 0.00 C ATOM 402 C LEU B 6 2.578 5.256 -11.600 1.00 0.00 C ATOM 403 O LEU B 6 2.135 5.843 -10.616 1.00 0.00 O ATOM 404 CB LEU B 6 3.484 3.130 -10.568 1.00 0.00 C ATOM 405 CG LEU B 6 4.519 1.989 -10.564 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.171 1.008 -9.437 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.560 1.242 -11.906 1.00 0.00 C ATOM 0 H LEU B 6 4.606 5.767 -10.203 1.00 0.00 H new ATOM 0 HA LEU B 6 4.066 3.977 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.370 3.492 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.521 2.718 -10.870 1.00 0.00 H new ATOM 0 HG LEU B 6 5.505 2.424 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.897 0.195 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.194 1.530 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.174 0.601 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.304 0.446 -11.857 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.580 0.811 -12.113 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.825 1.938 -12.702 1.00 0.00 H new ATOM 419 N CYS B 7 2.018 5.371 -12.805 1.00 0.00 N ATOM 420 CA CYS B 7 0.870 6.229 -13.124 1.00 0.00 C ATOM 421 C CYS B 7 -0.255 5.405 -13.763 1.00 0.00 C ATOM 422 O CYS B 7 0.001 4.556 -14.622 1.00 0.00 O ATOM 423 CB CYS B 7 1.309 7.328 -14.103 1.00 0.00 C ATOM 424 SG CYS B 7 2.721 8.354 -13.599 1.00 0.00 S ATOM 0 H CYS B 7 2.361 4.853 -13.614 1.00 0.00 H new ATOM 0 HA CYS B 7 0.501 6.677 -12.201 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.553 6.857 -15.055 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.458 7.985 -14.281 1.00 0.00 H new ATOM 429 N GLY B 8 -1.500 5.672 -13.360 1.00 0.00 N ATOM 430 CA GLY B 8 -2.726 5.195 -14.024 1.00 0.00 C ATOM 431 C GLY B 8 -2.745 3.688 -14.284 1.00 0.00 C ATOM 432 O GLY B 8 -2.700 2.885 -13.352 1.00 0.00 O ATOM 0 H GLY B 8 -1.694 6.243 -12.538 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.586 5.458 -13.409 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.841 5.719 -14.973 1.00 0.00 H new ATOM 436 N SER B 9 -2.795 3.298 -15.555 1.00 0.00 N ATOM 437 CA SER B 9 -2.861 1.896 -15.994 1.00 0.00 C ATOM 438 C SER B 9 -1.653 1.068 -15.526 1.00 0.00 C ATOM 439 O SER B 9 -1.798 -0.107 -15.196 1.00 0.00 O ATOM 440 CB SER B 9 -2.950 1.840 -17.528 1.00 0.00 C ATOM 441 OG SER B 9 -4.032 2.630 -18.012 1.00 0.00 O ATOM 0 H SER B 9 -2.791 3.960 -16.331 1.00 0.00 H new ATOM 0 HA SER B 9 -3.751 1.460 -15.539 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.015 2.195 -17.962 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.079 0.807 -17.850 1.00 0.00 H new ATOM 0 HG SER B 9 -4.064 2.577 -18.990 1.00 0.00 H new ATOM 447 N HIS B 10 -0.467 1.676 -15.423 1.00 0.00 N ATOM 448 CA HIS B 10 0.735 1.009 -14.916 1.00 0.00 C ATOM 449 C HIS B 10 0.643 0.761 -13.400 1.00 0.00 C ATOM 450 O HIS B 10 1.021 -0.309 -12.926 1.00 0.00 O ATOM 451 CB HIS B 10 1.962 1.864 -15.264 1.00 0.00 C ATOM 452 CG HIS B 10 2.143 2.094 -16.743 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.653 1.194 -17.655 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.822 3.233 -17.433 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.635 1.776 -18.866 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.133 3.024 -18.786 1.00 0.00 N ATOM 0 H HIS B 10 -0.314 2.648 -15.690 1.00 0.00 H new ATOM 0 HA HIS B 10 0.828 0.032 -15.390 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.875 2.828 -14.764 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.855 1.379 -14.869 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.403 4.134 -17.010 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.976 1.308 -19.778 1.00 0.00 H new ATOM 0 HE2 HIS B 10 2.005 3.684 -19.553 1.00 0.00 H new ATOM 464 N LEU B 11 0.080 1.714 -12.640 1.00 0.00 N ATOM 465 CA LEU B 11 -0.207 1.546 -11.211 1.00 0.00 C ATOM 466 C LEU B 11 -1.296 0.488 -10.983 1.00 0.00 C ATOM 467 O LEU B 11 -1.135 -0.365 -10.116 1.00 0.00 O ATOM 468 CB LEU B 11 -0.572 2.917 -10.610 1.00 0.00 C ATOM 469 CG LEU B 11 -0.847 2.898 -9.093 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.367 2.434 -8.274 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.264 4.299 -8.639 1.00 0.00 C ATOM 0 H LEU B 11 -0.190 2.628 -13.005 1.00 0.00 H new ATOM 0 HA LEU B 11 0.679 1.174 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.241 3.615 -10.810 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.455 3.300 -11.122 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.647 2.179 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.115 2.441 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.644 1.424 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.205 3.108 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.460 4.291 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.463 5.005 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.167 4.600 -9.170 1.00 0.00 H new ATOM 483 N VAL B 12 -2.363 0.499 -11.787 1.00 0.00 N ATOM 484 CA VAL B 12 -3.434 -0.518 -11.753 1.00 0.00 C ATOM 485 C VAL B 12 -2.891 -1.927 -12.055 1.00 0.00 C ATOM 486 O VAL B 12 -3.237 -2.881 -11.357 1.00 0.00 O ATOM 487 CB VAL B 12 -4.588 -0.134 -12.713 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.589 -1.280 -12.969 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.367 1.073 -12.154 1.00 0.00 C ATOM 0 H VAL B 12 -2.515 1.221 -12.491 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.836 -0.544 -10.740 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.112 0.108 -13.663 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.368 -0.937 -13.650 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.066 -2.127 -13.413 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.041 -1.586 -12.025 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.175 1.333 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.784 0.817 -11.180 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.693 1.923 -12.048 1.00 0.00 H new ATOM 499 N GLU B 13 -2.015 -2.058 -13.055 1.00 0.00 N ATOM 500 CA GLU B 13 -1.345 -3.320 -13.392 1.00 0.00 C ATOM 501 C GLU B 13 -0.426 -3.790 -12.252 1.00 0.00 C ATOM 502 O GLU B 13 -0.469 -4.957 -11.859 1.00 0.00 O ATOM 503 CB GLU B 13 -0.555 -3.148 -14.697 1.00 0.00 C ATOM 504 CG GLU B 13 0.031 -4.468 -15.209 1.00 0.00 C ATOM 505 CD GLU B 13 0.657 -4.295 -16.604 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.815 -3.823 -16.698 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.003 -4.635 -17.614 1.00 0.00 O ATOM 0 H GLU B 13 -1.747 -1.283 -13.661 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.103 -4.090 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.208 -2.725 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.253 -2.434 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.786 -4.829 -14.511 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.752 -5.225 -15.250 1.00 0.00 H new ATOM 514 N ALA B 14 0.374 -2.883 -11.682 1.00 0.00 N ATOM 515 CA ALA B 14 1.251 -3.190 -10.553 1.00 0.00 C ATOM 516 C ALA B 14 0.459 -3.648 -9.314 1.00 0.00 C ATOM 517 O ALA B 14 0.797 -4.677 -8.732 1.00 0.00 O ATOM 518 CB ALA B 14 2.123 -1.965 -10.268 1.00 0.00 C ATOM 0 H ALA B 14 0.430 -1.913 -11.993 1.00 0.00 H new ATOM 0 HA ALA B 14 1.894 -4.032 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.784 -2.177 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.720 -1.730 -11.149 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.487 -1.114 -10.024 1.00 0.00 H new ATOM 524 N LEU B 15 -0.623 -2.952 -8.944 1.00 0.00 N ATOM 525 CA LEU B 15 -1.514 -3.339 -7.841 1.00 0.00 C ATOM 526 C LEU B 15 -2.077 -4.752 -8.044 1.00 0.00 C ATOM 527 O LEU B 15 -1.969 -5.596 -7.154 1.00 0.00 O ATOM 528 CB LEU B 15 -2.654 -2.305 -7.734 1.00 0.00 C ATOM 529 CG LEU B 15 -2.242 -0.982 -7.059 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.251 0.124 -7.399 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.190 -1.141 -5.531 1.00 0.00 C ATOM 0 H LEU B 15 -0.909 -2.091 -9.409 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.944 -3.354 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.029 -2.089 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.478 -2.745 -7.173 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.253 -0.714 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.949 1.053 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.281 0.269 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.240 -0.164 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.897 -0.195 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.173 -1.432 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.463 -1.910 -5.270 1.00 0.00 H new ATOM 543 N TYR B 16 -2.595 -5.045 -9.239 1.00 0.00 N ATOM 544 CA TYR B 16 -3.068 -6.380 -9.617 1.00 0.00 C ATOM 545 C TYR B 16 -1.986 -7.467 -9.475 1.00 0.00 C ATOM 546 O TYR B 16 -2.271 -8.556 -8.973 1.00 0.00 O ATOM 547 CB TYR B 16 -3.623 -6.312 -11.049 1.00 0.00 C ATOM 548 CG TYR B 16 -3.948 -7.664 -11.657 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.048 -8.409 -11.185 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.129 -8.194 -12.675 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.335 -9.675 -11.736 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.408 -9.459 -13.227 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.515 -10.204 -12.756 1.00 0.00 C ATOM 554 OH TYR B 16 -4.795 -11.430 -13.284 1.00 0.00 O ATOM 0 H TYR B 16 -2.699 -4.353 -9.981 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.857 -6.676 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.525 -5.701 -11.048 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.896 -5.806 -11.684 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.672 -8.009 -10.400 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.283 -7.627 -13.033 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.183 -10.240 -11.377 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.779 -9.860 -14.008 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.136 -11.647 -13.976 1.00 0.00 H new ATOM 564 N LEU B 17 -0.739 -7.172 -9.865 1.00 0.00 N ATOM 565 CA LEU B 17 0.385 -8.117 -9.796 1.00 0.00 C ATOM 566 C LEU B 17 0.967 -8.271 -8.384 1.00 0.00 C ATOM 567 O LEU B 17 1.353 -9.378 -8.006 1.00 0.00 O ATOM 568 CB LEU B 17 1.469 -7.692 -10.808 1.00 0.00 C ATOM 569 CG LEU B 17 1.074 -7.878 -12.290 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.149 -7.241 -13.180 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.904 -9.358 -12.674 1.00 0.00 C ATOM 0 H LEU B 17 -0.479 -6.261 -10.242 1.00 0.00 H new ATOM 0 HA LEU B 17 0.002 -9.104 -10.058 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.713 -6.643 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.375 -8.266 -10.612 1.00 0.00 H new ATOM 0 HG LEU B 17 0.110 -7.392 -12.438 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.877 -7.369 -14.228 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.227 -6.178 -12.952 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.109 -7.723 -12.993 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.626 -9.432 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.843 -9.887 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.122 -9.806 -12.060 1.00 0.00 H new ATOM 583 N VAL B 18 0.994 -7.199 -7.592 1.00 0.00 N ATOM 584 CA VAL B 18 1.441 -7.206 -6.186 1.00 0.00 C ATOM 585 C VAL B 18 0.468 -8.012 -5.320 1.00 0.00 C ATOM 586 O VAL B 18 0.905 -8.817 -4.495 1.00 0.00 O ATOM 587 CB VAL B 18 1.586 -5.768 -5.631 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.732 -5.687 -4.098 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.830 -5.093 -6.229 1.00 0.00 C ATOM 0 H VAL B 18 0.700 -6.276 -7.912 1.00 0.00 H new ATOM 0 HA VAL B 18 2.422 -7.679 -6.152 1.00 0.00 H new ATOM 0 HB VAL B 18 0.659 -5.268 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.828 -4.644 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.852 -6.122 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.620 -6.238 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.922 -4.082 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.718 -5.668 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.734 -5.049 -7.314 1.00 0.00 H new ATOM 599 N CYS B 19 -0.843 -7.805 -5.502 1.00 0.00 N ATOM 600 CA CYS B 19 -1.868 -8.363 -4.606 1.00 0.00 C ATOM 601 C CYS B 19 -2.463 -9.694 -5.102 1.00 0.00 C ATOM 602 O CYS B 19 -2.873 -10.515 -4.279 1.00 0.00 O ATOM 603 CB CYS B 19 -2.913 -7.272 -4.323 1.00 0.00 C ATOM 604 SG CYS B 19 -2.126 -5.857 -3.490 1.00 0.00 S ATOM 0 H CYS B 19 -1.223 -7.250 -6.269 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.401 -8.647 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.372 -6.946 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.711 -7.674 -3.699 1.00 0.00 H new ATOM 609 N GLY B 20 -2.449 -9.956 -6.416 1.00 0.00 N ATOM 610 CA GLY B 20 -2.755 -11.269 -7.004 1.00 0.00 C ATOM 611 C GLY B 20 -4.193 -11.718 -6.732 1.00 0.00 C ATOM 612 O GLY B 20 -5.137 -11.156 -7.288 1.00 0.00 O ATOM 0 H GLY B 20 -2.220 -9.248 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.589 -11.228 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.065 -12.012 -6.603 1.00 0.00 H new ATOM 616 N GLU B 21 -4.348 -12.733 -5.876 1.00 0.00 N ATOM 617 CA GLU B 21 -5.649 -13.246 -5.422 1.00 0.00 C ATOM 618 C GLU B 21 -6.391 -12.261 -4.492 1.00 0.00 C ATOM 619 O GLU B 21 -7.622 -12.300 -4.417 1.00 0.00 O ATOM 620 CB GLU B 21 -5.458 -14.587 -4.695 1.00 0.00 C ATOM 621 CG GLU B 21 -4.890 -15.715 -5.574 1.00 0.00 C ATOM 622 CD GLU B 21 -5.847 -16.110 -6.711 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.887 -16.757 -6.438 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.557 -15.792 -7.889 1.00 0.00 O ATOM 0 H GLU B 21 -3.557 -13.233 -5.470 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.263 -13.379 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.791 -14.434 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.419 -14.907 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.938 -15.397 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.687 -16.588 -4.954 1.00 0.00 H new ATOM 631 N ARG B 22 -5.667 -11.368 -3.799 1.00 0.00 N ATOM 632 CA ARG B 22 -6.247 -10.282 -3.002 1.00 0.00 C ATOM 633 C ARG B 22 -6.711 -9.136 -3.908 1.00 0.00 C ATOM 634 O ARG B 22 -6.030 -8.767 -4.869 1.00 0.00 O ATOM 635 CB ARG B 22 -5.238 -9.751 -1.966 1.00 0.00 C ATOM 636 CG ARG B 22 -4.852 -10.802 -0.917 1.00 0.00 C ATOM 637 CD ARG B 22 -3.861 -10.195 0.085 1.00 0.00 C ATOM 638 NE ARG B 22 -3.493 -11.162 1.133 1.00 0.00 N ATOM 639 CZ ARG B 22 -4.167 -11.421 2.250 1.00 0.00 C ATOM 640 NH1 ARG B 22 -5.298 -10.814 2.550 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.699 -12.311 3.100 1.00 0.00 N ATOM 0 H ARG B 22 -4.647 -11.383 -3.778 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.108 -10.687 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.339 -9.412 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.664 -8.882 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.742 -11.153 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.406 -11.669 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.964 -9.868 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.302 -9.310 0.544 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.631 -11.688 0.987 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -5.687 -10.117 1.915 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.784 -11.041 3.417 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.825 -12.797 2.900 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.211 -12.515 3.959 1.00 0.00 H new ATOM 655 N GLY B 23 -7.854 -8.540 -3.559 1.00 0.00 N ATOM 656 CA GLY B 23 -8.420 -7.362 -4.229 1.00 0.00 C ATOM 657 C GLY B 23 -7.649 -6.093 -3.880 1.00 0.00 C ATOM 658 O GLY B 23 -7.058 -6.005 -2.801 1.00 0.00 O ATOM 0 H GLY B 23 -8.428 -8.870 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.403 -7.513 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.464 -7.245 -3.940 1.00 0.00 H new ATOM 662 N PHE B 24 -7.661 -5.114 -4.786 1.00 0.00 N ATOM 663 CA PHE B 24 -6.881 -3.874 -4.692 1.00 0.00 C ATOM 664 C PHE B 24 -7.733 -2.623 -4.948 1.00 0.00 C ATOM 665 O PHE B 24 -8.842 -2.708 -5.485 1.00 0.00 O ATOM 666 CB PHE B 24 -5.701 -3.956 -5.678 1.00 0.00 C ATOM 667 CG PHE B 24 -6.074 -3.916 -7.150 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.168 -2.680 -7.822 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.318 -5.113 -7.850 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.498 -2.645 -9.188 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.659 -5.074 -9.215 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.741 -3.840 -9.886 1.00 0.00 C ATOM 0 H PHE B 24 -8.230 -5.161 -5.631 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.507 -3.777 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.020 -3.131 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.153 -4.878 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.986 -1.760 -7.287 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.243 -6.062 -7.339 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.565 -1.698 -9.702 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.858 -5.992 -9.748 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.990 -3.811 -10.936 1.00 0.00 H new ATOM 682 N PHE B 25 -7.183 -1.452 -4.606 1.00 0.00 N ATOM 683 CA PHE B 25 -7.746 -0.146 -4.952 1.00 0.00 C ATOM 684 C PHE B 25 -6.653 0.925 -5.074 1.00 0.00 C ATOM 685 O PHE B 25 -5.689 0.962 -4.307 1.00 0.00 O ATOM 686 CB PHE B 25 -8.817 0.271 -3.930 1.00 0.00 C ATOM 687 CG PHE B 25 -9.510 1.578 -4.275 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.244 1.691 -5.474 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.398 2.696 -3.421 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.847 2.912 -5.825 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.015 3.915 -3.769 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.731 4.026 -4.972 1.00 0.00 C ATOM 0 H PHE B 25 -6.317 -1.387 -4.071 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.222 -0.237 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.565 -0.519 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.354 0.363 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.343 0.836 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.839 2.618 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.399 2.995 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.937 4.766 -3.108 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.192 4.965 -5.242 1.00 0.00 H new ATOM 702 N TYR B 26 -6.834 1.813 -6.052 1.00 0.00 N ATOM 703 CA TYR B 26 -5.968 2.933 -6.385 1.00 0.00 C ATOM 704 C TYR B 26 -6.600 4.253 -5.892 1.00 0.00 C ATOM 705 O TYR B 26 -7.485 4.814 -6.541 1.00 0.00 O ATOM 706 CB TYR B 26 -5.712 2.897 -7.906 1.00 0.00 C ATOM 707 CG TYR B 26 -6.915 2.650 -8.808 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.378 1.335 -9.017 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.561 3.722 -9.455 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.486 1.090 -9.847 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.669 3.487 -10.292 1.00 0.00 C ATOM 712 CZ TYR B 26 -9.140 2.170 -10.487 1.00 0.00 C ATOM 713 OH TYR B 26 -10.212 1.946 -11.296 1.00 0.00 O ATOM 0 H TYR B 26 -7.644 1.761 -6.670 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.004 2.862 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.262 3.846 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.974 2.120 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.877 0.508 -8.535 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.204 4.731 -9.308 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.837 0.080 -9.996 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -9.159 4.314 -10.785 1.00 0.00 H new ATOM 0 HH TYR B 26 -10.538 2.799 -11.651 1.00 0.00 H new ATOM 723 N THR B 27 -6.165 4.745 -4.719 1.00 0.00 N ATOM 724 CA THR B 27 -6.714 5.960 -4.082 1.00 0.00 C ATOM 725 C THR B 27 -6.357 7.221 -4.890 1.00 0.00 C ATOM 726 O THR B 27 -5.218 7.310 -5.362 1.00 0.00 O ATOM 727 CB THR B 27 -6.290 6.082 -2.609 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.893 5.942 -2.496 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.929 4.993 -1.750 1.00 0.00 C ATOM 0 H THR B 27 -5.417 4.309 -4.180 1.00 0.00 H new ATOM 0 HA THR B 27 -7.800 5.866 -4.085 1.00 0.00 H new ATOM 0 HB THR B 27 -6.617 7.062 -2.262 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.631 6.023 -1.555 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.607 5.110 -0.715 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.014 5.077 -1.804 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.622 4.013 -2.117 1.00 0.00 H new ATOM 737 N PRO B 28 -7.297 8.175 -5.076 1.00 0.00 N ATOM 738 CA PRO B 28 -7.167 9.309 -5.999 1.00 0.00 C ATOM 739 C PRO B 28 -6.283 10.430 -5.412 1.00 0.00 C ATOM 740 O PRO B 28 -5.410 10.178 -4.586 1.00 0.00 O ATOM 741 CB PRO B 28 -8.623 9.733 -6.266 1.00 0.00 C ATOM 742 CG PRO B 28 -9.301 9.475 -4.922 1.00 0.00 C ATOM 743 CD PRO B 28 -8.637 8.171 -4.489 1.00 0.00 C ATOM 0 HA PRO B 28 -6.655 9.055 -6.927 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.692 10.780 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -9.075 9.147 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.122 10.282 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.382 9.371 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.585 8.104 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.210 7.310 -4.834 1.00 0.00 H new ATOM 751 N LYS B 29 -6.493 11.689 -5.818 1.00 0.00 N ATOM 752 CA LYS B 29 -5.813 12.854 -5.235 1.00 0.00 C ATOM 753 C LYS B 29 -6.023 12.943 -3.705 1.00 0.00 C ATOM 754 O LYS B 29 -5.069 13.232 -2.975 1.00 0.00 O ATOM 755 CB LYS B 29 -6.288 14.118 -5.984 1.00 0.00 C ATOM 756 CG LYS B 29 -5.588 15.400 -5.510 1.00 0.00 C ATOM 757 CD LYS B 29 -6.005 16.612 -6.351 1.00 0.00 C ATOM 758 CE LYS B 29 -5.305 17.875 -5.826 1.00 0.00 C ATOM 759 NZ LYS B 29 -5.668 19.076 -6.625 1.00 0.00 N ATOM 0 H LYS B 29 -7.144 11.930 -6.565 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.735 12.755 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.111 13.988 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.364 14.229 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.830 15.582 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.508 15.269 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.744 16.448 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -7.087 16.740 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -5.578 18.036 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -4.225 17.731 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -5.177 19.909 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.385 18.932 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -6.696 19.227 -6.577 1.00 0.00 H new ATOM 773 N THR B 30 -7.231 12.614 -3.226 1.00 0.00 N ATOM 774 CA THR B 30 -7.579 12.454 -1.800 1.00 0.00 C ATOM 775 C THR B 30 -6.962 11.181 -1.215 1.00 0.00 C ATOM 776 O THR B 30 -7.442 10.066 -1.516 1.00 0.00 O ATOM 777 CB THR B 30 -9.100 12.445 -1.596 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.668 13.565 -2.250 1.00 0.00 O ATOM 779 CG2 THR B 30 -9.473 12.534 -0.113 1.00 0.00 C ATOM 780 OXT THR B 30 -5.944 11.298 -0.498 1.00 0.00 O ATOM 0 H THR B 30 -8.026 12.445 -3.842 1.00 0.00 H new ATOM 0 HA THR B 30 -7.165 13.312 -1.270 1.00 0.00 H new ATOM 0 HB THR B 30 -9.479 11.509 -2.005 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.640 13.560 -2.122 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.558 12.525 -0.010 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.051 11.682 0.420 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.076 13.458 0.307 1.00 0.00 H new TER 788 THR B 30