USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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+ -175:sc= 0.182 (180deg=0.178) USER MOD Single : A 5 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.38) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 12 SER OG : rot -122:sc= 0.381 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.13) USER MOD Single : A 18 ASN : amide:sc=-0.00134 X(o=-0.0013,f=-0.0038) USER MOD Single : A 19 TYR OH : rot 16:sc= 1.37 USER MOD Single : A 21 ASN : amide:sc=-0.00136 X(o=-0.0014,f=-0.19) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.146 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00184 K(o=-0.0018,f=-0.83) USER MOD Single : B 4 GLN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-6.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0525 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 44:sc= 0.668 USER MOD Single : B 29 LYS NZ :NH3+ -168:sc= 0.814 (180deg=0.676) USER MOD Single : B 30 THR OG1 : rot -25:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.642 0.804 -1.352 1.00 25.00 N ATOM 2 CA GLY A 1 5.375 2.202 -1.830 1.00 25.00 C ATOM 3 C GLY A 1 4.289 2.226 -2.875 1.00 25.00 C ATOM 4 O GLY A 1 3.984 1.185 -3.417 1.00 25.00 O ATOM 0 H1 GLY A 1 6.332 0.829 -0.575 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.756 0.377 -1.014 1.00 25.00 H new ATOM 0 H3 GLY A 1 6.023 0.236 -2.135 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.084 2.828 -0.986 1.00 25.00 H new ATOM 0 HA3 GLY A 1 6.289 2.628 -2.243 1.00 25.00 H new ATOM 10 N ILE A 2 3.690 3.377 -3.162 1.00 25.00 N ATOM 11 CA ILE A 2 2.552 3.422 -4.093 1.00 25.00 C ATOM 12 C ILE A 2 2.918 2.971 -5.530 1.00 25.00 C ATOM 13 O ILE A 2 2.198 2.181 -6.136 1.00 25.00 O ATOM 14 CB ILE A 2 1.873 4.843 -4.063 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.486 4.770 -4.728 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.785 5.940 -4.700 1.00 25.00 C ATOM 17 CD1 ILE A 2 -0.352 6.060 -4.620 1.00 25.00 C ATOM 0 H ILE A 2 3.962 4.280 -2.775 1.00 25.00 H new ATOM 0 HA ILE A 2 1.822 2.690 -3.746 1.00 25.00 H new ATOM 0 HB ILE A 2 1.735 5.142 -3.024 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.617 4.526 -5.782 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.074 3.951 -4.278 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.278 6.904 -4.658 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.723 5.999 -4.148 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.991 5.683 -5.739 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.311 5.913 -5.117 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.520 6.298 -3.570 1.00 25.00 H new ATOM 0 HD13 ILE A 2 0.182 6.882 -5.097 1.00 25.00 H new ATOM 29 N VAL A 3 4.075 3.393 -6.030 1.00 25.00 N ATOM 30 CA VAL A 3 4.539 3.017 -7.377 1.00 25.00 C ATOM 31 C VAL A 3 4.741 1.503 -7.501 1.00 25.00 C ATOM 32 O VAL A 3 4.557 0.917 -8.564 1.00 25.00 O ATOM 33 CB VAL A 3 5.871 3.792 -7.732 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.924 3.672 -6.601 1.00 25.00 C ATOM 35 CG2 VAL A 3 6.487 3.305 -9.060 1.00 25.00 C ATOM 0 H VAL A 3 4.719 4.001 -5.524 1.00 25.00 H new ATOM 0 HA VAL A 3 3.766 3.302 -8.091 1.00 25.00 H new ATOM 0 HB VAL A 3 5.591 4.839 -7.843 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.825 4.218 -6.883 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.519 4.092 -5.680 1.00 25.00 H new ATOM 0 HG13 VAL A 3 7.170 2.622 -6.443 1.00 25.00 H new ATOM 0 HG21 VAL A 3 7.400 3.864 -9.264 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.721 2.243 -8.985 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.776 3.463 -9.871 1.00 25.00 H new ATOM 45 N GLU A 4 5.091 0.868 -6.394 1.00 25.00 N ATOM 46 CA GLU A 4 5.369 -0.562 -6.372 1.00 25.00 C ATOM 47 C GLU A 4 4.132 -1.359 -6.755 1.00 25.00 C ATOM 48 O GLU A 4 4.224 -2.329 -7.496 1.00 25.00 O ATOM 49 CB GLU A 4 5.824 -0.944 -4.963 1.00 25.00 C ATOM 50 CG GLU A 4 6.350 -2.353 -4.788 1.00 25.00 C ATOM 51 CD GLU A 4 6.737 -2.633 -3.364 1.00 25.00 C ATOM 52 OE1 GLU A 4 6.695 -1.797 -2.480 1.00 25.00 O ATOM 53 OE2 GLU A 4 7.127 -3.840 -3.161 1.00 25.00 O ATOM 0 H GLU A 4 5.191 1.326 -5.488 1.00 25.00 H new ATOM 0 HA GLU A 4 6.151 -0.792 -7.096 1.00 25.00 H new ATOM 0 HB2 GLU A 4 6.603 -0.247 -4.654 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.984 -0.805 -4.283 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.589 -3.067 -5.105 1.00 25.00 H new ATOM 0 HG3 GLU A 4 7.215 -2.501 -5.435 1.00 25.00 H new ATOM 61 N GLN A 5 2.974 -0.936 -6.267 1.00 25.00 N ATOM 62 CA GLN A 5 1.739 -1.663 -6.524 1.00 25.00 C ATOM 63 C GLN A 5 1.373 -1.653 -8.004 1.00 25.00 C ATOM 64 O GLN A 5 0.944 -2.663 -8.546 1.00 25.00 O ATOM 65 CB GLN A 5 0.596 -1.068 -5.695 1.00 25.00 C ATOM 66 CG GLN A 5 -0.612 -1.997 -5.578 1.00 25.00 C ATOM 67 CD GLN A 5 -0.260 -3.306 -4.892 1.00 25.00 C ATOM 68 OE1 GLN A 5 0.453 -3.322 -3.900 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.730 -4.400 -5.429 1.00 25.00 N ATOM 0 H GLN A 5 2.864 -0.099 -5.695 1.00 25.00 H new ATOM 0 HA GLN A 5 1.899 -2.700 -6.230 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.964 -0.834 -4.696 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.280 -0.127 -6.146 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.402 -1.496 -5.019 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.008 -2.204 -6.572 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.323 -4.348 -6.258 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.504 -5.307 -5.020 1.00 25.00 H new ATOM 78 N CYS A 6 1.580 -0.527 -8.670 1.00 25.00 N ATOM 79 CA CYS A 6 1.250 -0.433 -10.094 1.00 25.00 C ATOM 80 C CYS A 6 2.316 -1.083 -10.959 1.00 25.00 C ATOM 81 O CYS A 6 2.071 -1.428 -12.110 1.00 25.00 O ATOM 82 CB CYS A 6 1.066 1.025 -10.511 1.00 25.00 C ATOM 83 SG CYS A 6 -0.352 1.823 -9.691 1.00 25.00 S ATOM 0 H CYS A 6 1.968 0.323 -8.261 1.00 25.00 H new ATOM 0 HA CYS A 6 0.313 -0.970 -10.245 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.974 1.581 -10.279 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.930 1.074 -11.591 1.00 25.00 H new ATOM 88 N CYS A 7 3.497 -1.268 -10.397 1.00 25.00 N ATOM 89 CA CYS A 7 4.569 -1.931 -11.113 1.00 25.00 C ATOM 90 C CYS A 7 4.355 -3.447 -11.084 1.00 25.00 C ATOM 91 O CYS A 7 4.524 -4.122 -12.091 1.00 25.00 O ATOM 92 CB CYS A 7 5.921 -1.556 -10.497 1.00 25.00 C ATOM 93 SG CYS A 7 7.365 -2.169 -11.427 1.00 25.00 S ATOM 0 H CYS A 7 3.736 -0.970 -9.451 1.00 25.00 H new ATOM 0 HA CYS A 7 4.566 -1.604 -12.153 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.985 -0.470 -10.424 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.965 -1.947 -9.481 1.00 25.00 H new ATOM 98 N THR A 8 3.966 -3.980 -9.931 1.00 25.00 N ATOM 99 CA THR A 8 3.765 -5.427 -9.795 1.00 25.00 C ATOM 100 C THR A 8 2.367 -5.888 -10.237 1.00 25.00 C ATOM 101 O THR A 8 2.190 -7.036 -10.638 1.00 25.00 O ATOM 102 CB THR A 8 4.057 -5.898 -8.334 1.00 25.00 C ATOM 103 OG1 THR A 8 4.144 -7.322 -8.292 1.00 25.00 O ATOM 104 CG2 THR A 8 2.975 -5.468 -7.356 1.00 25.00 C ATOM 0 H THR A 8 3.784 -3.443 -9.083 1.00 25.00 H new ATOM 0 HA THR A 8 4.479 -5.896 -10.471 1.00 25.00 H new ATOM 0 HB THR A 8 4.998 -5.433 -8.039 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.329 -7.612 -7.374 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.227 -5.821 -6.356 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.902 -4.380 -7.349 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.019 -5.894 -7.661 1.00 25.00 H new ATOM 112 N SER A 9 1.372 -5.010 -10.193 1.00 25.00 N ATOM 113 CA SER A 9 0.011 -5.392 -10.565 1.00 25.00 C ATOM 114 C SER A 9 -0.681 -4.317 -11.393 1.00 25.00 C ATOM 115 O SER A 9 -0.069 -3.331 -11.766 1.00 25.00 O ATOM 116 CB SER A 9 -0.806 -5.707 -9.311 1.00 25.00 C ATOM 117 OG SER A 9 -0.194 -6.742 -8.566 1.00 25.00 O ATOM 0 H SER A 9 1.478 -4.037 -9.906 1.00 25.00 H new ATOM 0 HA SER A 9 0.078 -6.284 -11.187 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.896 -4.812 -8.695 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.816 -6.003 -9.593 1.00 25.00 H new ATOM 0 HG SER A 9 -0.729 -6.930 -7.767 1.00 25.00 H new ATOM 123 N ILE A 10 -1.898 -4.590 -11.836 1.00 25.00 N ATOM 124 CA ILE A 10 -2.566 -3.719 -12.805 1.00 25.00 C ATOM 125 C ILE A 10 -3.212 -2.522 -12.116 1.00 25.00 C ATOM 126 O ILE A 10 -4.068 -2.680 -11.254 1.00 25.00 O ATOM 127 CB ILE A 10 -3.686 -4.488 -13.585 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.111 -5.716 -14.328 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.412 -3.548 -14.574 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.187 -5.395 -15.516 1.00 25.00 C ATOM 0 H ILE A 10 -2.445 -5.401 -11.546 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.797 -3.380 -13.499 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.411 -4.846 -12.854 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.558 -6.326 -13.614 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.941 -6.323 -14.689 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.185 -4.104 -15.104 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.869 -2.725 -14.025 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.694 -3.151 -15.292 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.838 -6.324 -15.967 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.736 -4.815 -16.258 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.331 -4.818 -15.166 1.00 25.00 H new ATOM 142 N CYS A 11 -2.857 -1.327 -12.569 1.00 25.00 N ATOM 143 CA CYS A 11 -3.524 -0.110 -12.128 1.00 25.00 C ATOM 144 C CYS A 11 -4.321 0.450 -13.297 1.00 25.00 C ATOM 145 O CYS A 11 -3.770 1.067 -14.204 1.00 25.00 O ATOM 146 CB CYS A 11 -2.518 0.922 -11.624 1.00 25.00 C ATOM 147 SG CYS A 11 -1.884 0.518 -9.968 1.00 25.00 S ATOM 0 H CYS A 11 -2.108 -1.175 -13.244 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.189 -0.344 -11.297 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.685 0.986 -12.324 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.990 1.904 -11.600 1.00 25.00 H new ATOM 152 N SER A 12 -5.624 0.212 -13.263 1.00 25.00 N ATOM 153 CA SER A 12 -6.533 0.772 -14.261 1.00 25.00 C ATOM 154 C SER A 12 -6.628 2.269 -13.982 1.00 25.00 C ATOM 155 O SER A 12 -6.173 2.730 -12.936 1.00 25.00 O ATOM 156 CB SER A 12 -7.910 0.106 -14.157 1.00 25.00 C ATOM 157 OG SER A 12 -8.808 0.624 -15.128 1.00 25.00 O ATOM 0 H SER A 12 -6.079 -0.365 -12.556 1.00 25.00 H new ATOM 0 HA SER A 12 -6.166 0.595 -15.272 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.807 -0.971 -14.292 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.319 0.265 -13.159 1.00 25.00 H new ATOM 0 HG SER A 12 -9.593 1.001 -14.679 1.00 25.00 H new ATOM 163 N LEU A 13 -7.236 3.023 -14.886 1.00 25.00 N ATOM 164 CA LEU A 13 -7.344 4.476 -14.740 1.00 25.00 C ATOM 165 C LEU A 13 -7.936 4.903 -13.389 1.00 25.00 C ATOM 166 O LEU A 13 -7.533 5.907 -12.834 1.00 25.00 O ATOM 167 CB LEU A 13 -8.162 5.059 -15.905 1.00 25.00 C ATOM 168 CG LEU A 13 -9.664 4.720 -15.955 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.498 5.886 -15.427 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.082 4.390 -17.381 1.00 25.00 C ATOM 0 H LEU A 13 -7.666 2.655 -15.735 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.331 4.878 -14.767 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.062 6.144 -15.877 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.709 4.721 -16.837 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.839 3.851 -15.321 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.556 5.626 -15.471 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.218 6.095 -14.394 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.316 6.770 -16.038 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.146 4.152 -17.403 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.889 5.248 -18.025 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.511 3.533 -17.738 1.00 25.00 H new ATOM 182 N TYR A 14 -8.841 4.108 -12.838 1.00 25.00 N ATOM 183 CA TYR A 14 -9.463 4.428 -11.552 1.00 25.00 C ATOM 184 C TYR A 14 -8.448 4.408 -10.408 1.00 25.00 C ATOM 185 O TYR A 14 -8.473 5.242 -9.518 1.00 25.00 O ATOM 186 CB TYR A 14 -10.570 3.418 -11.264 1.00 25.00 C ATOM 187 CG TYR A 14 -11.444 3.150 -12.466 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.441 4.067 -12.858 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.271 1.977 -13.232 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.253 3.815 -13.999 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.074 1.731 -14.378 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.055 2.652 -14.748 1.00 25.00 C ATOM 193 OH TYR A 14 -13.826 2.407 -15.855 1.00 25.00 O ATOM 0 H TYR A 14 -9.164 3.236 -13.257 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.873 5.436 -11.618 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.123 2.482 -10.929 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.188 3.787 -10.446 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.590 4.971 -12.286 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.519 1.258 -12.943 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -14.020 4.520 -14.285 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.926 0.834 -14.961 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.557 1.556 -16.259 1.00 25.00 H new ATOM 203 N GLN A 15 -7.534 3.451 -10.461 1.00 25.00 N ATOM 204 CA GLN A 15 -6.476 3.336 -9.456 1.00 25.00 C ATOM 205 C GLN A 15 -5.496 4.489 -9.633 1.00 25.00 C ATOM 206 O GLN A 15 -5.004 5.060 -8.667 1.00 25.00 O ATOM 207 CB GLN A 15 -5.731 2.009 -9.632 1.00 25.00 C ATOM 208 CG GLN A 15 -6.564 0.774 -9.289 1.00 25.00 C ATOM 209 CD GLN A 15 -6.806 0.645 -7.797 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.880 0.688 -7.011 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.046 0.503 -7.410 1.00 25.00 N ATOM 0 H GLN A 15 -7.500 2.738 -11.190 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.917 3.369 -8.460 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.392 1.930 -10.665 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.840 2.019 -9.004 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.521 0.827 -9.808 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.054 -0.119 -9.652 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.796 0.471 -8.101 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.264 0.424 -6.417 1.00 25.00 H new ATOM 220 N LEU A 16 -5.228 4.827 -10.882 1.00 25.00 N ATOM 221 CA LEU A 16 -4.290 5.894 -11.219 1.00 25.00 C ATOM 222 C LEU A 16 -4.777 7.271 -10.765 1.00 25.00 C ATOM 223 O LEU A 16 -3.978 8.089 -10.342 1.00 25.00 O ATOM 224 CB LEU A 16 -4.002 5.877 -12.721 1.00 25.00 C ATOM 225 CG LEU A 16 -3.233 4.628 -13.192 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.148 4.598 -14.702 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.826 4.587 -12.610 1.00 25.00 C ATOM 0 H LEU A 16 -5.651 4.374 -11.692 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.365 5.704 -10.675 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.946 5.937 -13.263 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.427 6.766 -12.981 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.782 3.756 -12.838 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.602 3.709 -15.018 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.153 4.575 -15.123 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.628 5.488 -15.055 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.312 3.693 -12.963 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.275 5.472 -12.928 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.883 4.567 -11.522 1.00 25.00 H new ATOM 239 N GLU A 17 -6.078 7.519 -10.824 1.00 25.00 N ATOM 240 CA GLU A 17 -6.643 8.798 -10.368 1.00 25.00 C ATOM 241 C GLU A 17 -6.283 9.126 -8.911 1.00 25.00 C ATOM 242 O GLU A 17 -6.188 10.293 -8.546 1.00 25.00 O ATOM 243 CB GLU A 17 -8.167 8.772 -10.525 1.00 25.00 C ATOM 244 CG GLU A 17 -8.622 8.933 -11.970 1.00 25.00 C ATOM 245 CD GLU A 17 -10.100 8.726 -12.145 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.776 8.082 -11.396 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.569 9.279 -13.221 1.00 25.00 O ATOM 0 H GLU A 17 -6.768 6.858 -11.181 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.206 9.579 -10.990 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.551 7.830 -10.132 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.602 9.569 -9.922 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.356 9.930 -12.320 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.084 8.221 -12.596 1.00 25.00 H new ATOM 255 N ASN A 18 -6.027 8.105 -8.101 1.00 25.00 N ATOM 256 CA ASN A 18 -5.642 8.305 -6.694 1.00 25.00 C ATOM 257 C ASN A 18 -4.300 9.028 -6.533 1.00 25.00 C ATOM 258 O ASN A 18 -4.060 9.670 -5.517 1.00 25.00 O ATOM 259 CB ASN A 18 -5.589 6.968 -5.952 1.00 25.00 C ATOM 260 CG ASN A 18 -6.946 6.334 -5.815 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.867 6.931 -5.294 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.077 5.129 -6.293 1.00 25.00 N ATOM 0 H ASN A 18 -6.077 7.127 -8.387 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.412 8.943 -6.260 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.925 6.287 -6.484 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.161 7.122 -4.961 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.978 4.653 -6.237 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.279 4.661 -6.723 1.00 25.00 H new ATOM 269 N TYR A 19 -3.419 8.908 -7.518 1.00 25.00 N ATOM 270 CA TYR A 19 -2.111 9.582 -7.482 1.00 25.00 C ATOM 271 C TYR A 19 -2.296 11.092 -7.597 1.00 25.00 C ATOM 272 O TYR A 19 -1.419 11.868 -7.244 1.00 25.00 O ATOM 273 CB TYR A 19 -1.262 9.135 -8.670 1.00 25.00 C ATOM 274 CG TYR A 19 -0.612 7.781 -8.521 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.352 6.591 -8.671 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.769 7.684 -8.257 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.722 5.326 -8.559 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.400 6.427 -8.155 1.00 25.00 C ATOM 279 CZ TYR A 19 0.652 5.262 -8.309 1.00 25.00 C ATOM 280 OH TYR A 19 1.283 4.053 -8.207 1.00 25.00 O ATOM 0 H TYR A 19 -3.580 8.351 -8.357 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.624 9.326 -6.541 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.890 9.123 -9.561 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.483 9.878 -8.839 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.412 6.643 -8.874 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.352 8.584 -8.131 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.299 4.419 -8.666 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.460 6.368 -7.958 1.00 25.00 H new ATOM 0 HH TYR A 19 0.708 3.351 -8.578 1.00 25.00 H new ATOM 290 N CYS A 20 -3.439 11.492 -8.130 1.00 25.00 N ATOM 291 CA CYS A 20 -3.738 12.890 -8.393 1.00 25.00 C ATOM 292 C CYS A 20 -4.748 13.399 -7.373 1.00 25.00 C ATOM 293 O CYS A 20 -5.745 14.046 -7.707 1.00 25.00 O ATOM 294 CB CYS A 20 -4.294 13.000 -9.806 1.00 25.00 C ATOM 295 SG CYS A 20 -3.292 12.036 -10.980 1.00 25.00 S ATOM 0 H CYS A 20 -4.189 10.853 -8.394 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.837 13.498 -8.308 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.324 12.644 -9.824 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.313 14.046 -10.112 1.00 25.00 H new ATOM 300 N ASN A 21 -4.485 13.051 -6.111 1.00 25.00 N ATOM 301 CA ASN A 21 -5.337 13.421 -4.975 1.00 25.00 C ATOM 302 C ASN A 21 -5.219 14.902 -4.636 1.00 25.00 C ATOM 303 O ASN A 21 -4.173 15.499 -4.499 1.00 25.00 O ATOM 304 CB ASN A 21 -5.008 12.552 -3.746 1.00 25.00 C ATOM 305 CG ASN A 21 -6.034 12.744 -2.670 1.00 25.00 C ATOM 306 OD1 ASN A 21 -6.075 13.696 -1.936 1.00 25.00 O ATOM 307 ND2 ASN A 21 -6.927 11.770 -2.548 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.358 15.498 -4.514 1.00 25.00 O ATOM 0 H ASN A 21 -3.669 12.500 -5.845 1.00 25.00 H new ATOM 0 HA ASN A 21 -6.371 13.236 -5.267 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -4.971 11.502 -4.036 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -4.021 12.812 -3.364 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -7.650 11.828 -1.831 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -6.890 10.964 -3.171 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.754 3.178 -22.689 1.00 25.00 N ATOM 318 CA PHE B 1 -7.566 2.879 -21.840 1.00 25.00 C ATOM 319 C PHE B 1 -7.179 1.421 -21.996 1.00 25.00 C ATOM 320 O PHE B 1 -8.009 0.634 -22.412 1.00 25.00 O ATOM 321 CB PHE B 1 -7.889 3.192 -20.372 1.00 25.00 C ATOM 322 CG PHE B 1 -6.675 3.261 -19.486 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.847 4.401 -19.506 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.342 2.188 -18.633 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.690 4.467 -18.696 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.184 2.248 -17.818 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.356 3.388 -17.859 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.473 3.802 -23.472 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.138 2.291 -23.074 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.481 3.649 -22.114 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.728 3.500 -22.156 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.419 4.143 -20.321 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.565 2.429 -19.987 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.099 5.233 -20.147 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.975 1.313 -18.601 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.063 5.346 -18.720 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.937 1.422 -17.167 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.466 3.432 -17.248 1.00 25.00 H new ATOM 339 N VAL B 2 -5.938 1.060 -21.690 1.00 25.00 N ATOM 340 CA VAL B 2 -5.487 -0.328 -21.806 1.00 25.00 C ATOM 341 C VAL B 2 -4.750 -0.682 -20.517 1.00 25.00 C ATOM 342 O VAL B 2 -3.978 0.117 -19.995 1.00 25.00 O ATOM 343 CB VAL B 2 -4.584 -0.530 -23.082 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.377 0.433 -23.089 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.109 -1.984 -23.201 1.00 25.00 C ATOM 0 H VAL B 2 -5.223 1.708 -21.359 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.338 -0.997 -21.936 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.202 -0.297 -23.949 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.780 0.262 -23.985 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.733 1.463 -23.082 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.764 0.255 -22.205 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.488 -2.092 -24.090 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -3.528 -2.250 -22.318 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.973 -2.644 -23.279 1.00 25.00 H new ATOM 355 N ASN B 3 -5.037 -1.855 -19.973 1.00 25.00 N ATOM 356 CA ASN B 3 -4.412 -2.284 -18.733 1.00 25.00 C ATOM 357 C ASN B 3 -3.023 -2.811 -18.996 1.00 25.00 C ATOM 358 O ASN B 3 -2.826 -3.647 -19.869 1.00 25.00 O ATOM 359 CB ASN B 3 -5.201 -3.414 -18.088 1.00 25.00 C ATOM 360 CG ASN B 3 -6.474 -2.934 -17.434 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.519 -1.857 -16.859 1.00 25.00 O ATOM 362 ND2 ASN B 3 -7.510 -3.720 -17.524 1.00 25.00 N ATOM 0 H ASN B 3 -5.697 -2.524 -20.370 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.382 -1.416 -18.075 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -5.445 -4.160 -18.845 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -4.578 -3.908 -17.342 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.398 -3.443 -17.106 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -7.433 -4.612 -18.013 1.00 25.00 H new ATOM 369 N GLN B 4 -2.079 -2.370 -18.188 1.00 25.00 N ATOM 370 CA GLN B 4 -0.723 -2.870 -18.232 1.00 25.00 C ATOM 371 C GLN B 4 -0.133 -2.508 -16.888 1.00 25.00 C ATOM 372 O GLN B 4 -0.580 -1.560 -16.240 1.00 25.00 O ATOM 373 CB GLN B 4 0.075 -2.220 -19.378 1.00 25.00 C ATOM 374 CG GLN B 4 0.151 -0.687 -19.318 1.00 25.00 C ATOM 375 CD GLN B 4 0.812 -0.086 -20.545 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.943 0.390 -20.496 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.103 -0.085 -21.643 1.00 25.00 N ATOM 0 H GLN B 4 -2.234 -1.652 -17.480 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.692 -3.943 -18.419 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.088 -2.621 -19.370 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.375 -2.511 -20.327 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.855 -0.281 -19.217 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.706 -0.389 -18.428 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.833 -0.490 -21.646 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.486 0.320 -22.497 1.00 25.00 H new ATOM 386 N HIS B 5 0.860 -3.264 -16.475 1.00 25.00 N ATOM 387 CA HIS B 5 1.663 -2.891 -15.312 1.00 25.00 C ATOM 388 C HIS B 5 2.456 -1.647 -15.709 1.00 25.00 C ATOM 389 O HIS B 5 2.838 -1.503 -16.869 1.00 25.00 O ATOM 390 CB HIS B 5 2.611 -4.021 -14.924 1.00 25.00 C ATOM 391 CG HIS B 5 1.909 -5.295 -14.580 1.00 25.00 C ATOM 392 ND1 HIS B 5 0.867 -5.370 -13.673 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.077 -6.567 -15.008 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.453 -6.632 -13.596 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.175 -7.364 -14.387 1.00 25.00 N ATOM 0 H HIS B 5 1.137 -4.139 -16.919 1.00 25.00 H new ATOM 0 HA HIS B 5 1.026 -2.695 -14.449 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.300 -4.206 -15.748 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.212 -3.704 -14.071 1.00 25.00 H new ATOM 0 HD2 HIS B 5 2.812 -6.894 -15.729 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.355 -6.990 -12.975 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.079 -8.371 -14.519 1.00 25.00 H new ATOM 404 N LEU B 6 2.671 -0.744 -14.767 1.00 25.00 N ATOM 405 CA LEU B 6 3.328 0.530 -15.045 1.00 25.00 C ATOM 406 C LEU B 6 4.410 0.812 -14.011 1.00 25.00 C ATOM 407 O LEU B 6 4.118 0.987 -12.832 1.00 25.00 O ATOM 408 CB LEU B 6 2.289 1.653 -15.001 1.00 25.00 C ATOM 409 CG LEU B 6 1.225 1.659 -16.110 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.077 2.569 -15.707 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.819 2.124 -17.438 1.00 25.00 C ATOM 0 H LEU B 6 2.398 -0.868 -13.792 1.00 25.00 H new ATOM 0 HA LEU B 6 3.788 0.479 -16.032 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.777 1.604 -14.040 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.818 2.606 -15.033 1.00 25.00 H new ATOM 0 HG LEU B 6 0.857 0.642 -16.243 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.677 2.573 -16.494 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.367 2.206 -14.780 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.451 3.582 -15.558 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.044 2.119 -18.205 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.212 3.134 -17.327 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.625 1.451 -17.732 1.00 25.00 H new ATOM 423 N CYS B 7 5.656 0.868 -14.460 1.00 25.00 N ATOM 424 CA CYS B 7 6.787 1.110 -13.569 1.00 25.00 C ATOM 425 C CYS B 7 7.534 2.365 -14.006 1.00 25.00 C ATOM 426 O CYS B 7 7.564 2.687 -15.196 1.00 25.00 O ATOM 427 CB CYS B 7 7.757 -0.076 -13.624 1.00 25.00 C ATOM 428 SG CYS B 7 6.974 -1.702 -13.368 1.00 25.00 S ATOM 0 H CYS B 7 5.912 0.749 -15.440 1.00 25.00 H new ATOM 0 HA CYS B 7 6.409 1.236 -12.555 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.257 -0.076 -14.592 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.528 0.066 -12.867 1.00 25.00 H new ATOM 433 N GLY B 8 8.172 3.041 -13.059 1.00 25.00 N ATOM 434 CA GLY B 8 9.005 4.191 -13.387 1.00 25.00 C ATOM 435 C GLY B 8 8.301 5.250 -14.215 1.00 25.00 C ATOM 436 O GLY B 8 7.153 5.602 -13.959 1.00 25.00 O ATOM 0 H GLY B 8 8.130 2.815 -12.065 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.360 4.645 -12.462 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.885 3.846 -13.930 1.00 25.00 H new ATOM 440 N SER B 9 8.988 5.733 -15.239 1.00 25.00 N ATOM 441 CA SER B 9 8.459 6.775 -16.114 1.00 25.00 C ATOM 442 C SER B 9 7.160 6.393 -16.822 1.00 25.00 C ATOM 443 O SER B 9 6.350 7.258 -17.108 1.00 25.00 O ATOM 444 CB SER B 9 9.515 7.123 -17.156 1.00 25.00 C ATOM 445 OG SER B 9 10.800 7.087 -16.559 1.00 25.00 O ATOM 0 H SER B 9 9.925 5.417 -15.489 1.00 25.00 H new ATOM 0 HA SER B 9 8.221 7.628 -15.479 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.468 6.418 -17.986 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.322 8.113 -17.568 1.00 25.00 H new ATOM 0 HG SER B 9 11.479 7.309 -17.230 1.00 25.00 H new ATOM 451 N HIS B 10 6.933 5.108 -17.077 1.00 25.00 N ATOM 452 CA HIS B 10 5.691 4.685 -17.741 1.00 25.00 C ATOM 453 C HIS B 10 4.483 5.032 -16.889 1.00 25.00 C ATOM 454 O HIS B 10 3.435 5.391 -17.410 1.00 25.00 O ATOM 455 CB HIS B 10 5.698 3.181 -18.030 1.00 25.00 C ATOM 456 CG HIS B 10 6.055 2.850 -19.445 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.123 2.431 -20.403 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.243 2.868 -20.105 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.755 2.232 -21.552 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.027 2.492 -21.395 1.00 25.00 N ATOM 0 H HIS B 10 7.574 4.350 -16.842 1.00 25.00 H new ATOM 0 HA HIS B 10 5.629 5.221 -18.688 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.406 2.693 -17.361 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.713 2.771 -17.806 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.198 3.136 -19.678 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.292 1.907 -22.472 1.00 25.00 H new ATOM 0 HE2 HIS B 10 7.741 2.424 -22.121 1.00 25.00 H new ATOM 469 N LEU B 11 4.639 4.951 -15.577 1.00 25.00 N ATOM 470 CA LEU B 11 3.558 5.298 -14.661 1.00 25.00 C ATOM 471 C LEU B 11 3.282 6.793 -14.736 1.00 25.00 C ATOM 472 O LEU B 11 2.141 7.217 -14.809 1.00 25.00 O ATOM 473 CB LEU B 11 3.951 4.901 -13.234 1.00 25.00 C ATOM 474 CG LEU B 11 2.917 5.148 -12.130 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.642 4.366 -12.355 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.533 4.742 -10.811 1.00 25.00 C ATOM 0 H LEU B 11 5.500 4.649 -15.121 1.00 25.00 H new ATOM 0 HA LEU B 11 2.653 4.760 -14.943 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.198 3.839 -13.234 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.861 5.440 -12.972 1.00 25.00 H new ATOM 0 HG LEU B 11 2.650 6.205 -12.134 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.940 4.574 -11.547 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.198 4.660 -13.306 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.868 3.300 -12.374 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.815 4.909 -10.008 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.802 3.686 -10.845 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.427 5.338 -10.628 1.00 25.00 H new ATOM 488 N VAL B 12 4.345 7.579 -14.761 1.00 25.00 N ATOM 489 CA VAL B 12 4.233 9.037 -14.833 1.00 25.00 C ATOM 490 C VAL B 12 3.572 9.458 -16.149 1.00 25.00 C ATOM 491 O VAL B 12 2.690 10.309 -16.168 1.00 25.00 O ATOM 492 CB VAL B 12 5.647 9.682 -14.708 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.570 11.200 -14.763 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.315 9.244 -13.387 1.00 25.00 C ATOM 0 H VAL B 12 5.305 7.234 -14.733 1.00 25.00 H new ATOM 0 HA VAL B 12 3.610 9.384 -14.009 1.00 25.00 H new ATOM 0 HB VAL B 12 6.246 9.339 -15.552 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.572 11.619 -14.673 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.132 11.508 -15.712 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.950 11.563 -13.943 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.302 9.700 -13.310 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.701 9.564 -12.545 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.415 8.159 -13.372 1.00 25.00 H new ATOM 504 N GLU B 13 3.957 8.816 -17.243 1.00 25.00 N ATOM 505 CA GLU B 13 3.380 9.107 -18.556 1.00 25.00 C ATOM 506 C GLU B 13 1.886 8.801 -18.565 1.00 25.00 C ATOM 507 O GLU B 13 1.101 9.504 -19.192 1.00 25.00 O ATOM 508 CB GLU B 13 4.072 8.260 -19.631 1.00 25.00 C ATOM 509 CG GLU B 13 5.495 8.702 -19.958 1.00 25.00 C ATOM 510 CD GLU B 13 6.223 7.700 -20.811 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.626 6.639 -20.402 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.363 8.077 -22.043 1.00 25.00 O ATOM 0 H GLU B 13 4.670 8.086 -17.251 1.00 25.00 H new ATOM 0 HA GLU B 13 3.529 10.166 -18.768 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.093 7.221 -19.301 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.475 8.292 -20.543 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.465 9.662 -20.474 1.00 25.00 H new ATOM 0 HG3 GLU B 13 6.047 8.856 -19.031 1.00 25.00 H new ATOM 520 N ALA B 14 1.496 7.752 -17.860 1.00 25.00 N ATOM 521 CA ALA B 14 0.097 7.356 -17.805 1.00 25.00 C ATOM 522 C ALA B 14 -0.718 8.362 -16.990 1.00 25.00 C ATOM 523 O ALA B 14 -1.860 8.659 -17.326 1.00 25.00 O ATOM 524 CB ALA B 14 -0.020 5.966 -17.196 1.00 25.00 C ATOM 0 H ALA B 14 2.126 7.160 -17.319 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.302 7.337 -18.819 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.069 5.673 -17.157 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.533 5.253 -17.808 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.392 5.975 -16.187 1.00 25.00 H new ATOM 530 N LEU B 15 -0.126 8.885 -15.925 1.00 25.00 N ATOM 531 CA LEU B 15 -0.820 9.834 -15.059 1.00 25.00 C ATOM 532 C LEU B 15 -1.173 11.123 -15.790 1.00 25.00 C ATOM 533 O LEU B 15 -2.235 11.689 -15.544 1.00 25.00 O ATOM 534 CB LEU B 15 0.028 10.151 -13.821 1.00 25.00 C ATOM 535 CG LEU B 15 0.132 9.036 -12.767 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.107 9.423 -11.665 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.224 8.736 -12.181 1.00 25.00 C ATOM 0 H LEU B 15 0.829 8.671 -15.639 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.752 9.362 -14.748 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.035 10.406 -14.151 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.384 11.039 -13.341 1.00 25.00 H new ATOM 0 HG LEU B 15 0.507 8.139 -13.259 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.164 8.619 -10.931 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.094 9.592 -12.095 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.762 10.335 -11.178 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.132 7.945 -11.437 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.623 9.634 -11.709 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.899 8.412 -12.973 1.00 25.00 H new ATOM 549 N TYR B 16 -0.347 11.543 -16.740 1.00 25.00 N ATOM 550 CA TYR B 16 -0.665 12.731 -17.541 1.00 25.00 C ATOM 551 C TYR B 16 -1.974 12.525 -18.294 1.00 25.00 C ATOM 552 O TYR B 16 -2.788 13.431 -18.398 1.00 25.00 O ATOM 553 CB TYR B 16 0.436 13.034 -18.565 1.00 25.00 C ATOM 554 CG TYR B 16 1.638 13.746 -17.989 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.575 15.118 -17.664 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.852 13.064 -17.778 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.703 15.793 -17.124 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.984 13.740 -17.248 1.00 25.00 C ATOM 559 CZ TYR B 16 3.897 15.093 -16.921 1.00 25.00 C ATOM 560 OH TYR B 16 4.991 15.733 -16.399 1.00 25.00 O ATOM 0 H TYR B 16 0.536 11.091 -16.977 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.750 13.569 -16.850 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.764 12.098 -19.017 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.015 13.644 -19.365 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.657 15.662 -17.828 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.924 12.014 -18.022 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.639 16.841 -16.872 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.911 13.206 -17.099 1.00 25.00 H new ATOM 0 HH TYR B 16 5.735 15.100 -16.323 1.00 25.00 H new ATOM 570 N LEU B 17 -2.169 11.333 -18.831 1.00 25.00 N ATOM 571 CA LEU B 17 -3.381 11.038 -19.588 1.00 25.00 C ATOM 572 C LEU B 17 -4.613 10.924 -18.700 1.00 25.00 C ATOM 573 O LEU B 17 -5.685 11.405 -19.040 1.00 25.00 O ATOM 574 CB LEU B 17 -3.229 9.718 -20.336 1.00 25.00 C ATOM 575 CG LEU B 17 -2.078 9.609 -21.348 1.00 25.00 C ATOM 576 CD1 LEU B 17 -1.969 8.157 -21.822 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.284 10.536 -22.546 1.00 25.00 C ATOM 0 H LEU B 17 -1.511 10.557 -18.760 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.518 11.871 -20.278 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.106 8.925 -19.599 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.162 9.520 -20.864 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.156 9.916 -20.855 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.154 8.069 -22.541 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.771 7.509 -20.968 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -2.904 7.857 -22.295 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.448 10.428 -23.237 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.212 10.273 -23.054 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.339 11.569 -22.202 1.00 25.00 H new ATOM 589 N VAL B 18 -4.466 10.212 -17.594 1.00 25.00 N ATOM 590 CA VAL B 18 -5.601 9.890 -16.724 1.00 25.00 C ATOM 591 C VAL B 18 -6.078 11.108 -15.951 1.00 25.00 C ATOM 592 O VAL B 18 -7.278 11.316 -15.768 1.00 25.00 O ATOM 593 CB VAL B 18 -5.204 8.767 -15.725 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.309 8.504 -14.707 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.904 7.485 -16.491 1.00 25.00 C ATOM 0 H VAL B 18 -3.572 9.842 -17.271 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.418 9.549 -17.360 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.317 9.097 -15.184 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.995 7.713 -14.026 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.506 9.414 -14.140 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.217 8.197 -15.226 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.626 6.699 -15.789 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.789 7.178 -17.048 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.082 7.660 -17.185 1.00 25.00 H new ATOM 605 N CYS B 19 -5.138 11.905 -15.482 1.00 25.00 N ATOM 606 CA CYS B 19 -5.473 13.067 -14.674 1.00 25.00 C ATOM 607 C CYS B 19 -5.572 14.333 -15.513 1.00 25.00 C ATOM 608 O CYS B 19 -6.054 15.368 -15.034 1.00 25.00 O ATOM 609 CB CYS B 19 -4.461 13.192 -13.543 1.00 25.00 C ATOM 610 SG CYS B 19 -4.545 11.685 -12.523 1.00 25.00 S ATOM 0 H CYS B 19 -4.140 11.772 -15.644 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.463 12.930 -14.240 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.457 13.321 -13.946 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.677 14.072 -12.937 1.00 25.00 H new ATOM 615 N GLY B 20 -5.197 14.230 -16.782 1.00 25.00 N ATOM 616 CA GLY B 20 -5.382 15.332 -17.708 1.00 25.00 C ATOM 617 C GLY B 20 -4.539 16.557 -17.417 1.00 25.00 C ATOM 618 O GLY B 20 -3.498 16.505 -16.764 1.00 25.00 O ATOM 0 H GLY B 20 -4.766 13.399 -17.188 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.155 14.983 -18.715 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.433 15.622 -17.700 1.00 25.00 H new ATOM 622 N GLU B 21 -5.032 17.691 -17.901 1.00 25.00 N ATOM 623 CA GLU B 21 -4.351 18.981 -17.766 1.00 25.00 C ATOM 624 C GLU B 21 -4.266 19.490 -16.324 1.00 25.00 C ATOM 625 O GLU B 21 -3.621 20.497 -16.063 1.00 25.00 O ATOM 626 CB GLU B 21 -5.084 20.029 -18.614 1.00 25.00 C ATOM 627 CG GLU B 21 -5.077 19.728 -20.113 1.00 25.00 C ATOM 628 CD GLU B 21 -5.868 20.734 -20.900 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.037 20.921 -20.739 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.164 21.376 -21.778 1.00 25.00 O ATOM 0 H GLU B 21 -5.919 17.746 -18.401 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.328 18.826 -18.108 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.117 20.101 -18.273 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.625 21.003 -18.447 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.049 19.715 -20.474 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.487 18.733 -20.283 1.00 25.00 H new ATOM 638 N ARG B 22 -4.912 18.799 -15.390 1.00 25.00 N ATOM 639 CA ARG B 22 -4.876 19.197 -13.977 1.00 25.00 C ATOM 640 C ARG B 22 -3.479 19.054 -13.395 1.00 25.00 C ATOM 641 O ARG B 22 -3.130 19.724 -12.430 1.00 25.00 O ATOM 642 CB ARG B 22 -5.802 18.320 -13.146 1.00 25.00 C ATOM 643 CG ARG B 22 -7.268 18.366 -13.554 1.00 25.00 C ATOM 644 CD ARG B 22 -8.091 17.573 -12.556 1.00 25.00 C ATOM 645 NE ARG B 22 -7.597 16.190 -12.469 1.00 25.00 N ATOM 646 CZ ARG B 22 -7.753 15.379 -11.428 1.00 25.00 C ATOM 647 NH1 ARG B 22 -8.392 15.742 -10.343 1.00 25.00 N ATOM 648 NH2 ARG B 22 -7.244 14.181 -11.471 1.00 25.00 N ATOM 0 H ARG B 22 -5.466 17.964 -15.579 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.193 20.239 -13.940 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.455 17.289 -13.209 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.721 18.620 -12.101 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.615 19.399 -13.590 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.392 17.953 -14.555 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.041 18.046 -11.575 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.139 17.574 -12.857 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.092 15.823 -13.276 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.792 16.678 -10.276 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -8.490 15.089 -9.566 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -6.732 13.874 -12.298 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -7.357 13.550 -10.678 1.00 25.00 H new ATOM 662 N GLY B 23 -2.707 18.133 -13.952 1.00 25.00 N ATOM 663 CA GLY B 23 -1.402 17.824 -13.399 1.00 25.00 C ATOM 664 C GLY B 23 -1.547 16.836 -12.257 1.00 25.00 C ATOM 665 O GLY B 23 -2.653 16.377 -11.956 1.00 25.00 O ATOM 0 H GLY B 23 -2.960 17.592 -14.779 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.759 17.406 -14.173 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -0.922 18.736 -13.044 1.00 25.00 H new ATOM 669 N PHE B 24 -0.423 16.474 -11.654 1.00 25.00 N ATOM 670 CA PHE B 24 -0.376 15.495 -10.569 1.00 25.00 C ATOM 671 C PHE B 24 1.008 15.608 -9.946 1.00 25.00 C ATOM 672 O PHE B 24 1.835 16.380 -10.429 1.00 25.00 O ATOM 673 CB PHE B 24 -0.592 14.081 -11.110 1.00 25.00 C ATOM 674 CG PHE B 24 0.425 13.661 -12.122 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.236 13.959 -13.480 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.576 12.967 -11.727 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.195 13.582 -14.433 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.541 12.579 -12.672 1.00 25.00 C ATOM 679 CZ PHE B 24 2.352 12.892 -14.034 1.00 25.00 C ATOM 0 H PHE B 24 0.491 16.853 -11.904 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.161 15.688 -9.837 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.575 13.377 -10.278 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.584 14.021 -11.558 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.655 14.483 -13.795 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.723 12.727 -10.684 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.043 13.823 -15.475 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.424 12.043 -12.356 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.092 12.603 -14.766 1.00 25.00 H new ATOM 689 N PHE B 25 1.274 14.815 -8.919 1.00 25.00 N ATOM 690 CA PHE B 25 2.584 14.788 -8.276 1.00 25.00 C ATOM 691 C PHE B 25 3.072 13.345 -8.217 1.00 25.00 C ATOM 692 O PHE B 25 2.293 12.409 -8.383 1.00 25.00 O ATOM 693 CB PHE B 25 2.499 15.388 -6.867 1.00 25.00 C ATOM 694 CG PHE B 25 1.526 14.675 -5.963 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.942 13.574 -5.188 1.00 25.00 C ATOM 696 CD2 PHE B 25 0.185 15.101 -5.877 1.00 25.00 C ATOM 697 CE1 PHE B 25 1.028 12.893 -4.345 1.00 25.00 C ATOM 698 CE2 PHE B 25 -0.737 14.429 -5.039 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.315 13.321 -4.277 1.00 25.00 C ATOM 0 H PHE B 25 0.594 14.175 -8.508 1.00 25.00 H new ATOM 0 HA PHE B 25 3.290 15.387 -8.852 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.489 15.365 -6.411 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.209 16.436 -6.945 1.00 25.00 H new ATOM 0 HD1 PHE B 25 2.970 13.245 -5.237 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -0.143 15.951 -6.458 1.00 25.00 H new ATOM 0 HE1 PHE B 25 1.358 12.050 -3.757 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -1.762 14.765 -4.984 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.018 12.801 -3.643 1.00 25.00 H new ATOM 709 N TYR B 26 4.361 13.165 -7.981 1.00 25.00 N ATOM 710 CA TYR B 26 4.956 11.836 -7.889 1.00 25.00 C ATOM 711 C TYR B 26 5.958 11.854 -6.747 1.00 25.00 C ATOM 712 O TYR B 26 6.626 12.859 -6.531 1.00 25.00 O ATOM 713 CB TYR B 26 5.652 11.471 -9.199 1.00 25.00 C ATOM 714 CG TYR B 26 6.328 10.125 -9.127 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.576 8.938 -9.224 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.722 10.026 -8.931 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.203 7.672 -9.122 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.352 8.761 -8.831 1.00 25.00 C ATOM 719 CZ TYR B 26 7.586 7.595 -8.926 1.00 25.00 C ATOM 720 OH TYR B 26 8.203 6.377 -8.817 1.00 25.00 O ATOM 0 H TYR B 26 5.024 13.929 -7.848 1.00 25.00 H new ATOM 0 HA TYR B 26 4.184 11.089 -7.705 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.921 11.466 -10.008 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.391 12.235 -9.441 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.508 8.994 -9.378 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.316 10.925 -8.856 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.615 6.769 -9.195 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.420 8.697 -8.682 1.00 25.00 H new ATOM 0 HH TYR B 26 9.165 6.508 -8.685 1.00 25.00 H new ATOM 730 N THR B 27 6.051 10.755 -6.012 1.00 25.00 N ATOM 731 CA THR B 27 6.943 10.664 -4.857 1.00 25.00 C ATOM 732 C THR B 27 8.173 9.782 -5.140 1.00 25.00 C ATOM 733 O THR B 27 8.098 8.545 -5.068 1.00 25.00 O ATOM 734 CB THR B 27 6.181 10.077 -3.648 1.00 25.00 C ATOM 735 OG1 THR B 27 5.595 8.823 -4.019 1.00 25.00 O ATOM 736 CG2 THR B 27 5.061 11.010 -3.206 1.00 25.00 C ATOM 0 H THR B 27 5.516 9.906 -6.194 1.00 25.00 H new ATOM 0 HA THR B 27 7.289 11.675 -4.640 1.00 25.00 H new ATOM 0 HB THR B 27 6.890 9.949 -2.830 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.246 8.295 -4.526 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.540 10.574 -2.354 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.482 11.974 -2.920 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.359 11.150 -4.028 1.00 25.00 H new ATOM 744 N PRO B 28 9.323 10.396 -5.480 1.00 25.00 N ATOM 745 CA PRO B 28 10.523 9.574 -5.671 1.00 25.00 C ATOM 746 C PRO B 28 11.118 9.142 -4.327 1.00 25.00 C ATOM 747 O PRO B 28 10.704 9.620 -3.279 1.00 25.00 O ATOM 748 CB PRO B 28 11.465 10.530 -6.404 1.00 25.00 C ATOM 749 CG PRO B 28 11.124 11.857 -5.841 1.00 25.00 C ATOM 750 CD PRO B 28 9.623 11.832 -5.672 1.00 25.00 C ATOM 0 HA PRO B 28 10.332 8.648 -6.213 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.510 10.276 -6.227 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.307 10.500 -7.482 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.626 12.023 -4.888 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.433 12.661 -6.509 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.305 12.427 -4.816 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.113 12.235 -6.547 1.00 25.00 H new ATOM 758 N LYS B 29 12.127 8.278 -4.361 1.00 25.00 N ATOM 759 CA LYS B 29 12.826 7.866 -3.139 1.00 25.00 C ATOM 760 C LYS B 29 14.288 8.298 -3.222 1.00 25.00 C ATOM 761 O LYS B 29 15.136 7.638 -3.823 1.00 25.00 O ATOM 762 CB LYS B 29 12.691 6.350 -2.892 1.00 25.00 C ATOM 763 CG LYS B 29 12.994 5.441 -4.110 1.00 25.00 C ATOM 764 CD LYS B 29 13.579 4.073 -3.700 1.00 25.00 C ATOM 765 CE LYS B 29 14.992 4.164 -3.064 1.00 25.00 C ATOM 766 NZ LYS B 29 16.008 4.843 -3.950 1.00 25.00 N ATOM 0 H LYS B 29 12.481 7.848 -5.215 1.00 25.00 H new ATOM 0 HA LYS B 29 12.363 8.359 -2.284 1.00 25.00 H new ATOM 0 HB2 LYS B 29 13.361 6.072 -2.079 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.676 6.145 -2.552 1.00 25.00 H new ATOM 0 HG2 LYS B 29 12.077 5.284 -4.678 1.00 25.00 H new ATOM 0 HG3 LYS B 29 13.696 5.949 -4.771 1.00 25.00 H new ATOM 0 HD2 LYS B 29 12.902 3.596 -2.992 1.00 25.00 H new ATOM 0 HD3 LYS B 29 13.627 3.430 -4.579 1.00 25.00 H new ATOM 0 HE2 LYS B 29 14.923 4.707 -2.121 1.00 25.00 H new ATOM 0 HE3 LYS B 29 15.341 3.159 -2.828 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 16.962 4.693 -3.563 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 15.956 4.442 -4.908 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 15.807 5.863 -3.990 1.00 25.00 H new ATOM 780 N THR B 30 14.568 9.452 -2.639 1.00 25.00 N ATOM 781 CA THR B 30 15.912 10.048 -2.638 1.00 25.00 C ATOM 782 C THR B 30 16.288 10.572 -1.248 1.00 25.00 C ATOM 783 O THR B 30 15.509 10.594 -0.318 1.00 25.00 O ATOM 784 CB THR B 30 16.028 11.164 -3.709 1.00 25.00 C ATOM 785 OG1 THR B 30 17.372 11.626 -3.748 1.00 25.00 O ATOM 786 CG2 THR B 30 15.105 12.358 -3.418 1.00 25.00 C ATOM 787 OXT THR B 30 17.539 10.906 -1.120 1.00 25.00 O ATOM 0 H THR B 30 13.871 10.012 -2.148 1.00 25.00 H new ATOM 0 HA THR B 30 16.623 9.263 -2.896 1.00 25.00 H new ATOM 0 HB THR B 30 15.725 10.735 -4.664 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.800 11.462 -2.882 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.226 13.110 -4.198 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.069 12.020 -3.397 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.365 12.792 -2.452 1.00 25.00 H new TER 796 THR B 30