USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 260 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 -179:sc= -0.007 (180deg=-0.00922) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.912 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.919 3.384 3.262 1.00 0.00 N ATOM 2 CA MET A 1 -19.210 3.666 2.657 1.00 0.00 C ATOM 3 C MET A 1 -19.437 2.797 1.418 1.00 0.00 C ATOM 4 O MET A 1 -20.486 2.172 1.277 1.00 0.00 O ATOM 5 CB MET A 1 -19.279 5.143 2.264 1.00 0.00 C ATOM 6 CG MET A 1 -20.482 5.829 2.914 1.00 0.00 C ATOM 7 SD MET A 1 -21.894 5.744 1.824 1.00 0.00 S ATOM 8 CE MET A 1 -22.800 4.411 2.592 1.00 0.00 C ATOM 0 H1 MET A 1 -17.818 3.936 4.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.853 2.370 3.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.161 3.644 2.599 1.00 0.00 H new ATOM 0 HA MET A 1 -19.988 3.438 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.361 5.647 2.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.348 5.231 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.716 5.349 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.243 6.870 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.709 4.213 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.181 3.514 2.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.064 4.691 3.612 1.00 0.00 H new ATOM 18 N VAL A 2 -18.434 2.786 0.551 1.00 0.00 N ATOM 19 CA VAL A 2 -18.511 2.004 -0.671 1.00 0.00 C ATOM 20 C VAL A 2 -17.470 0.885 -0.621 1.00 0.00 C ATOM 21 O VAL A 2 -16.382 1.067 -0.078 1.00 0.00 O ATOM 22 CB VAL A 2 -18.348 2.918 -1.888 1.00 0.00 C ATOM 23 CG1 VAL A 2 -19.484 3.940 -1.963 1.00 0.00 C ATOM 24 CG2 VAL A 2 -16.985 3.613 -1.872 1.00 0.00 C ATOM 0 H VAL A 2 -17.565 3.306 0.671 1.00 0.00 H new ATOM 0 HA VAL A 2 -19.490 1.534 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.397 2.297 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.344 4.577 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.438 3.419 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.481 4.554 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.894 4.256 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.894 4.215 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.194 2.863 -1.890 1.00 0.00 H new ATOM 34 N LYS A 3 -17.842 -0.252 -1.194 1.00 0.00 N ATOM 35 CA LYS A 3 -16.954 -1.401 -1.221 1.00 0.00 C ATOM 36 C LYS A 3 -15.664 -1.027 -1.954 1.00 0.00 C ATOM 37 O LYS A 3 -14.629 -1.663 -1.760 1.00 0.00 O ATOM 38 CB LYS A 3 -17.669 -2.616 -1.817 1.00 0.00 C ATOM 39 CG LYS A 3 -16.872 -3.899 -1.566 1.00 0.00 C ATOM 40 CD LYS A 3 -17.788 -5.124 -1.581 1.00 0.00 C ATOM 41 CE LYS A 3 -17.918 -5.728 -0.182 1.00 0.00 C ATOM 42 NZ LYS A 3 -19.335 -6.020 0.128 1.00 0.00 N ATOM 0 H LYS A 3 -18.746 -0.401 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.673 -1.689 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.663 -2.709 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.806 -2.472 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.101 -4.008 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.363 -3.833 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.773 -4.841 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.391 -5.871 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.330 -6.644 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.513 -5.037 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.405 -6.429 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.888 -5.140 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.710 -6.696 -0.567 1.00 0.00 H new ATOM 55 N SER A 4 -15.768 0.004 -2.780 1.00 0.00 N ATOM 56 CA SER A 4 -14.622 0.470 -3.543 1.00 0.00 C ATOM 57 C SER A 4 -13.661 1.232 -2.629 1.00 0.00 C ATOM 58 O SER A 4 -12.476 1.357 -2.935 1.00 0.00 O ATOM 59 CB SER A 4 -15.062 1.358 -4.709 1.00 0.00 C ATOM 60 OG SER A 4 -14.075 1.418 -5.735 1.00 0.00 O ATOM 0 H SER A 4 -16.628 0.530 -2.938 1.00 0.00 H new ATOM 0 HA SER A 4 -14.109 -0.398 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.994 0.976 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.265 2.364 -4.342 1.00 0.00 H new ATOM 0 HG SER A 4 -14.393 1.993 -6.462 1.00 0.00 H new ATOM 66 N LYS A 5 -14.205 1.720 -1.524 1.00 0.00 N ATOM 67 CA LYS A 5 -13.411 2.465 -0.563 1.00 0.00 C ATOM 68 C LYS A 5 -12.548 3.489 -1.306 1.00 0.00 C ATOM 69 O LYS A 5 -11.383 3.229 -1.597 1.00 0.00 O ATOM 70 CB LYS A 5 -12.607 1.511 0.322 1.00 0.00 C ATOM 71 CG LYS A 5 -12.979 1.687 1.796 1.00 0.00 C ATOM 72 CD LYS A 5 -12.928 0.349 2.537 1.00 0.00 C ATOM 73 CE LYS A 5 -12.818 0.563 4.048 1.00 0.00 C ATOM 74 NZ LYS A 5 -12.587 -0.726 4.738 1.00 0.00 N ATOM 0 H LYS A 5 -15.188 1.614 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.058 3.023 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.793 0.481 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.541 1.695 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.295 2.393 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.980 2.112 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.824 -0.230 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.076 -0.233 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.000 1.250 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.731 1.025 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.515 -0.563 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.380 -1.370 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.703 -1.152 4.392 1.00 0.00 H new ATOM 87 N ILE A 6 -13.157 4.631 -1.592 1.00 0.00 N ATOM 88 CA ILE A 6 -12.459 5.694 -2.295 1.00 0.00 C ATOM 89 C ILE A 6 -11.184 6.055 -1.530 1.00 0.00 C ATOM 90 O ILE A 6 -10.242 6.595 -2.108 1.00 0.00 O ATOM 91 CB ILE A 6 -13.393 6.884 -2.529 1.00 0.00 C ATOM 92 CG1 ILE A 6 -14.452 6.551 -3.582 1.00 0.00 C ATOM 93 CG2 ILE A 6 -12.599 8.140 -2.890 1.00 0.00 C ATOM 94 CD1 ILE A 6 -15.835 7.030 -3.139 1.00 0.00 C ATOM 0 H ILE A 6 -14.125 4.843 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.152 5.358 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.921 7.093 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.187 7.020 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.474 5.475 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.286 8.971 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.917 8.386 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.027 7.960 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.569 6.781 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -16.107 6.541 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -15.816 8.110 -2.992 1.00 0.00 H new ATOM 106 N GLY A 7 -11.195 5.741 -0.243 1.00 0.00 N ATOM 107 CA GLY A 7 -10.051 6.023 0.606 1.00 0.00 C ATOM 108 C GLY A 7 -8.925 5.016 0.365 1.00 0.00 C ATOM 109 O GLY A 7 -7.829 5.391 -0.049 1.00 0.00 O ATOM 0 H GLY A 7 -11.979 5.294 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.689 7.032 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.354 5.991 1.653 1.00 0.00 H new ATOM 113 N SER A 8 -9.234 3.756 0.634 1.00 0.00 N ATOM 114 CA SER A 8 -8.262 2.692 0.451 1.00 0.00 C ATOM 115 C SER A 8 -7.765 2.680 -0.995 1.00 0.00 C ATOM 116 O SER A 8 -6.688 2.160 -1.281 1.00 0.00 O ATOM 117 CB SER A 8 -8.860 1.332 0.818 1.00 0.00 C ATOM 118 OG SER A 8 -7.854 0.381 1.158 1.00 0.00 O ATOM 0 H SER A 8 -10.144 3.448 0.977 1.00 0.00 H new ATOM 0 HA SER A 8 -7.419 2.880 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.545 1.452 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.446 0.956 -0.020 1.00 0.00 H new ATOM 0 HG SER A 8 -8.276 -0.473 1.387 1.00 0.00 H new ATOM 124 N TRP A 9 -8.574 3.259 -1.870 1.00 0.00 N ATOM 125 CA TRP A 9 -8.230 3.323 -3.280 1.00 0.00 C ATOM 126 C TRP A 9 -6.937 4.130 -3.416 1.00 0.00 C ATOM 127 O TRP A 9 -5.916 3.604 -3.857 1.00 0.00 O ATOM 128 CB TRP A 9 -9.384 3.900 -4.102 1.00 0.00 C ATOM 129 CG TRP A 9 -9.575 3.231 -5.464 1.00 0.00 C ATOM 130 CD1 TRP A 9 -10.592 2.457 -5.868 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.679 3.308 -6.593 1.00 0.00 C ATOM 132 NE1 TRP A 9 -10.418 2.031 -7.169 1.00 0.00 N ATOM 133 CE2 TRP A 9 -9.218 2.566 -7.624 1.00 0.00 C ATOM 134 CE3 TRP A 9 -7.456 3.984 -6.739 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -8.601 2.428 -8.873 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -6.851 3.837 -7.993 1.00 0.00 C ATOM 137 CH2 TRP A 9 -7.379 3.092 -9.041 1.00 0.00 C ATOM 0 H TRP A 9 -9.467 3.688 -1.629 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.060 2.323 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.307 3.805 -3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.211 4.965 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.441 2.199 -5.253 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.053 1.434 -7.699 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.017 4.571 -5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -9.043 1.841 -9.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.908 4.337 -8.158 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.850 3.025 -9.980 1.00 0.00 H new ATOM 148 N ILE A 10 -7.023 5.393 -3.029 1.00 0.00 N ATOM 149 CA ILE A 10 -5.873 6.279 -3.101 1.00 0.00 C ATOM 150 C ILE A 10 -4.625 5.526 -2.633 1.00 0.00 C ATOM 151 O ILE A 10 -3.637 5.442 -3.360 1.00 0.00 O ATOM 152 CB ILE A 10 -6.139 7.569 -2.325 1.00 0.00 C ATOM 153 CG1 ILE A 10 -6.992 8.537 -3.147 1.00 0.00 C ATOM 154 CG2 ILE A 10 -4.831 8.211 -1.859 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.124 9.347 -4.114 1.00 0.00 C ATOM 0 H ILE A 10 -7.872 5.825 -2.664 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.694 6.587 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.709 7.317 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.744 7.980 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.527 9.213 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.051 9.127 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.297 7.518 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.213 8.447 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.755 10.027 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.389 9.921 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.609 8.670 -4.795 1.00 0.00 H new ATOM 167 N LEU A 11 -4.712 4.997 -1.421 1.00 0.00 N ATOM 168 CA LEU A 11 -3.603 4.255 -0.847 1.00 0.00 C ATOM 169 C LEU A 11 -3.156 3.174 -1.832 1.00 0.00 C ATOM 170 O LEU A 11 -1.990 3.126 -2.220 1.00 0.00 O ATOM 171 CB LEU A 11 -3.978 3.712 0.533 1.00 0.00 C ATOM 172 CG LEU A 11 -3.407 4.473 1.731 1.00 0.00 C ATOM 173 CD1 LEU A 11 -1.879 4.412 1.743 1.00 0.00 C ATOM 174 CD2 LEU A 11 -3.923 5.914 1.763 1.00 0.00 C ATOM 0 H LEU A 11 -5.534 5.068 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.749 4.912 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.065 3.706 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.648 2.675 0.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.756 3.985 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.500 4.961 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.557 3.373 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.490 4.859 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.502 6.432 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.625 6.428 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.010 5.910 1.838 1.00 0.00 H new ATOM 186 N VAL A 12 -4.106 2.330 -2.208 1.00 0.00 N ATOM 187 CA VAL A 12 -3.824 1.251 -3.140 1.00 0.00 C ATOM 188 C VAL A 12 -3.149 1.825 -4.387 1.00 0.00 C ATOM 189 O VAL A 12 -2.356 1.145 -5.037 1.00 0.00 O ATOM 190 CB VAL A 12 -5.109 0.483 -3.455 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.908 -0.455 -4.648 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.601 -0.289 -2.228 1.00 0.00 C ATOM 0 H VAL A 12 -5.072 2.372 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.133 0.534 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.876 1.209 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.836 -0.989 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.625 0.127 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.120 -1.172 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.516 -0.826 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.837 -1.000 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.802 0.409 -1.415 1.00 0.00 H new ATOM 202 N LEU A 13 -3.489 3.071 -4.685 1.00 0.00 N ATOM 203 CA LEU A 13 -2.926 3.743 -5.843 1.00 0.00 C ATOM 204 C LEU A 13 -1.441 4.016 -5.597 1.00 0.00 C ATOM 205 O LEU A 13 -0.594 3.627 -6.400 1.00 0.00 O ATOM 206 CB LEU A 13 -3.734 4.998 -6.179 1.00 0.00 C ATOM 207 CG LEU A 13 -2.943 6.305 -6.256 1.00 0.00 C ATOM 208 CD1 LEU A 13 -1.855 6.225 -7.329 1.00 0.00 C ATOM 209 CD2 LEU A 13 -3.875 7.500 -6.473 1.00 0.00 C ATOM 0 H LEU A 13 -4.147 3.632 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.992 3.104 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.231 4.840 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.516 5.114 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.442 6.457 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.308 7.167 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.167 5.414 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.314 6.037 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.286 8.416 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.424 7.369 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.580 7.567 -5.644 1.00 0.00 H new ATOM 221 N PHE A 14 -1.171 4.684 -4.485 1.00 0.00 N ATOM 222 CA PHE A 14 0.197 5.012 -4.124 1.00 0.00 C ATOM 223 C PHE A 14 1.063 3.754 -4.047 1.00 0.00 C ATOM 224 O PHE A 14 2.193 3.743 -4.530 1.00 0.00 O ATOM 225 CB PHE A 14 0.150 5.670 -2.743 1.00 0.00 C ATOM 226 CG PHE A 14 -0.613 6.995 -2.710 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.519 7.859 -3.757 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.384 7.310 -1.635 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.227 9.090 -3.727 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.091 8.541 -1.605 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.998 9.405 -2.652 1.00 0.00 C ATOM 0 H PHE A 14 -1.876 5.007 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 14 0.631 5.672 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.312 4.979 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.170 5.841 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.094 7.609 -4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.459 6.624 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.153 9.776 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.703 8.792 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.536 10.341 -2.629 1.00 0.00 H new ATOM 241 N VAL A 15 0.498 2.723 -3.435 1.00 0.00 N ATOM 242 CA VAL A 15 1.203 1.460 -3.289 1.00 0.00 C ATOM 243 C VAL A 15 1.564 0.919 -4.674 1.00 0.00 C ATOM 244 O VAL A 15 2.524 0.163 -4.818 1.00 0.00 O ATOM 245 CB VAL A 15 0.362 0.484 -2.465 1.00 0.00 C ATOM 246 CG1 VAL A 15 1.140 -0.803 -2.179 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.119 1.133 -1.166 1.00 0.00 C ATOM 0 H VAL A 15 -0.440 2.736 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 15 2.136 1.604 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.518 0.222 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.520 -1.480 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.409 -1.282 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.045 -0.564 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.714 0.417 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.742 1.439 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.728 2.007 -1.399 1.00 0.00 H new ATOM 257 N ALA A 16 0.777 1.328 -5.658 1.00 0.00 N ATOM 258 CA ALA A 16 1.001 0.893 -7.025 1.00 0.00 C ATOM 259 C ALA A 16 2.148 1.705 -7.632 1.00 0.00 C ATOM 260 O ALA A 16 3.109 1.137 -8.149 1.00 0.00 O ATOM 261 CB ALA A 16 -0.297 1.032 -7.824 1.00 0.00 C ATOM 0 H ALA A 16 -0.017 1.956 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 16 1.290 -0.158 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.129 0.706 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.072 0.415 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.615 2.074 -7.822 1.00 0.00 H new ATOM 267 N MET A 17 2.009 3.020 -7.549 1.00 0.00 N ATOM 268 CA MET A 17 3.022 3.914 -8.082 1.00 0.00 C ATOM 269 C MET A 17 4.207 4.037 -7.122 1.00 0.00 C ATOM 270 O MET A 17 5.132 4.809 -7.368 1.00 0.00 O ATOM 271 CB MET A 17 2.409 5.297 -8.318 1.00 0.00 C ATOM 272 CG MET A 17 2.127 5.526 -9.804 1.00 0.00 C ATOM 273 SD MET A 17 1.265 7.073 -10.030 1.00 0.00 S ATOM 274 CE MET A 17 2.639 8.135 -10.444 1.00 0.00 C ATOM 0 H MET A 17 1.210 3.488 -7.121 1.00 0.00 H new ATOM 0 HA MET A 17 3.384 3.501 -9.024 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.483 5.390 -7.750 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.087 6.067 -7.950 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.063 5.537 -10.363 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.529 4.705 -10.200 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.276 9.148 -10.619 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.354 8.142 -9.621 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.127 7.764 -11.345 1.00 0.00 H new ATOM 284 N TRP A 18 4.139 3.266 -6.047 1.00 0.00 N ATOM 285 CA TRP A 18 5.194 3.278 -5.048 1.00 0.00 C ATOM 286 C TRP A 18 6.035 2.015 -5.233 1.00 0.00 C ATOM 287 O TRP A 18 7.204 1.980 -4.850 1.00 0.00 O ATOM 288 CB TRP A 18 4.614 3.410 -3.639 1.00 0.00 C ATOM 289 CG TRP A 18 5.658 3.325 -2.525 1.00 0.00 C ATOM 290 CD1 TRP A 18 6.907 3.814 -2.526 1.00 0.00 C ATOM 291 CD2 TRP A 18 5.495 2.692 -1.238 1.00 0.00 C ATOM 292 NE1 TRP A 18 7.557 3.542 -1.339 1.00 0.00 N ATOM 293 CE2 TRP A 18 6.671 2.838 -0.532 1.00 0.00 C ATOM 294 CE3 TRP A 18 4.390 2.017 -0.690 1.00 0.00 C ATOM 295 CZ2 TRP A 18 6.856 2.337 0.763 1.00 0.00 C ATOM 296 CZ3 TRP A 18 4.591 1.522 0.603 1.00 0.00 C ATOM 297 CH2 TRP A 18 5.768 1.661 1.328 1.00 0.00 C ATOM 0 H TRP A 18 3.369 2.628 -5.846 1.00 0.00 H new ATOM 0 HA TRP A 18 5.839 4.147 -5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.091 4.363 -3.561 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.872 2.626 -3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 18 7.348 4.353 -3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.512 3.809 -1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.460 1.891 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.786 2.465 1.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.773 0.994 1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.843 1.249 2.324 1.00 0.00 H new ATOM 308 N SER A 19 5.408 1.005 -5.820 1.00 0.00 N ATOM 309 CA SER A 19 6.084 -0.259 -6.060 1.00 0.00 C ATOM 310 C SER A 19 6.267 -0.476 -7.563 1.00 0.00 C ATOM 311 O SER A 19 7.079 -1.300 -7.981 1.00 0.00 O ATOM 312 CB SER A 19 5.308 -1.424 -5.445 1.00 0.00 C ATOM 313 OG SER A 19 6.003 -2.008 -4.347 1.00 0.00 O ATOM 0 H SER A 19 4.439 1.037 -6.136 1.00 0.00 H new ATOM 0 HA SER A 19 7.063 -0.220 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.332 -1.073 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.130 -2.183 -6.207 1.00 0.00 H new ATOM 0 HG SER A 19 5.474 -2.747 -3.981 1.00 0.00 H new ATOM 319 N ASP A 20 5.497 0.276 -8.336 1.00 0.00 N ATOM 320 CA ASP A 20 5.563 0.174 -9.784 1.00 0.00 C ATOM 321 C ASP A 20 6.711 1.045 -10.300 1.00 0.00 C ATOM 322 O ASP A 20 6.882 1.203 -11.508 1.00 0.00 O ATOM 323 CB ASP A 20 4.269 0.670 -10.431 1.00 0.00 C ATOM 324 CG ASP A 20 4.257 0.643 -11.961 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.234 -0.431 -12.580 1.00 0.00 O ATOM 326 OD2 ASP A 20 4.276 1.802 -12.526 1.00 0.00 O ATOM 0 H ASP A 20 4.824 0.958 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 20 5.717 -0.874 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.442 0.061 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.084 1.692 -10.100 1.00 0.00 H new ATOM 332 N VAL A 21 7.470 1.586 -9.357 1.00 0.00 N ATOM 333 CA VAL A 21 8.598 2.436 -9.702 1.00 0.00 C ATOM 334 C VAL A 21 9.901 1.706 -9.371 1.00 0.00 C ATOM 335 O VAL A 21 10.402 0.925 -10.178 1.00 0.00 O ATOM 336 CB VAL A 21 8.471 3.785 -8.992 1.00 0.00 C ATOM 337 CG1 VAL A 21 9.782 4.571 -9.070 1.00 0.00 C ATOM 338 CG2 VAL A 21 7.309 4.599 -9.564 1.00 0.00 C ATOM 0 H VAL A 21 7.326 1.452 -8.356 1.00 0.00 H new ATOM 0 HA VAL A 21 8.606 2.646 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 21 8.258 3.591 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.665 5.526 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.578 3.999 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.038 4.749 -10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.241 5.553 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.478 4.778 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.379 4.047 -9.433 1.00 0.00 H new ATOM 348 N GLY A 22 10.413 1.987 -8.181 1.00 0.00 N ATOM 349 CA GLY A 22 11.648 1.366 -7.733 1.00 0.00 C ATOM 350 C GLY A 22 11.693 -0.113 -8.125 1.00 0.00 C ATOM 351 O GLY A 22 12.454 -0.500 -9.009 1.00 0.00 O ATOM 0 H GLY A 22 9.995 2.636 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.500 1.887 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.735 1.462 -6.651 1.00 0.00 H new ATOM 355 N LEU A 23 10.868 -0.897 -7.448 1.00 0.00 N ATOM 356 CA LEU A 23 10.803 -2.324 -7.714 1.00 0.00 C ATOM 357 C LEU A 23 10.767 -2.554 -9.227 1.00 0.00 C ATOM 358 O LEU A 23 11.195 -3.601 -9.708 1.00 0.00 O ATOM 359 CB LEU A 23 9.627 -2.956 -6.967 1.00 0.00 C ATOM 360 CG LEU A 23 9.919 -3.443 -5.547 1.00 0.00 C ATOM 361 CD1 LEU A 23 8.631 -3.549 -4.727 1.00 0.00 C ATOM 362 CD2 LEU A 23 10.695 -4.761 -5.567 1.00 0.00 C ATOM 0 H LEU A 23 10.238 -0.571 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 23 11.695 -2.824 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.818 -2.227 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.262 -3.801 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 23 10.553 -2.704 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.867 -3.897 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.155 -2.570 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.952 -4.255 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.889 -5.084 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.108 -5.521 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.642 -4.618 -6.088 1.00 0.00 H new ATOM 374 N CYS A 24 10.251 -1.559 -9.932 1.00 0.00 N ATOM 375 CA CYS A 24 10.154 -1.640 -11.380 1.00 0.00 C ATOM 376 C CYS A 24 11.564 -1.532 -11.963 1.00 0.00 C ATOM 377 O CYS A 24 11.862 -0.600 -12.708 1.00 0.00 O ATOM 378 CB CYS A 24 9.219 -0.568 -11.945 1.00 0.00 C ATOM 379 SG CYS A 24 8.122 -1.301 -13.214 1.00 0.00 S ATOM 0 H CYS A 24 9.896 -0.692 -9.528 1.00 0.00 H new ATOM 0 HA CYS A 24 9.717 -2.597 -11.665 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.622 -0.135 -11.143 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.803 0.242 -12.381 1.00 0.00 H new ATOM 0 HG CYS A 24 7.331 -0.384 -13.686 1.00 0.00 H new ATOM 385 N LYS A 25 12.394 -2.501 -11.604 1.00 0.00 N ATOM 386 CA LYS A 25 13.766 -2.526 -12.082 1.00 0.00 C ATOM 387 C LYS A 25 14.402 -3.870 -11.721 1.00 0.00 C ATOM 388 O LYS A 25 14.216 -4.859 -12.428 1.00 0.00 O ATOM 389 CB LYS A 25 14.540 -1.317 -11.554 1.00 0.00 C ATOM 390 CG LYS A 25 16.006 -1.373 -11.987 1.00 0.00 C ATOM 391 CD LYS A 25 16.928 -0.885 -10.868 1.00 0.00 C ATOM 392 CE LYS A 25 16.894 0.640 -10.755 1.00 0.00 C ATOM 393 NZ LYS A 25 16.747 1.053 -9.341 1.00 0.00 N ATOM 0 H LYS A 25 12.143 -3.274 -10.988 1.00 0.00 H new ATOM 0 HA LYS A 25 13.793 -2.442 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.083 -0.399 -11.923 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.479 -1.289 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.269 -2.395 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.150 -0.758 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.623 -1.330 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.948 -1.216 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.810 1.062 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.066 1.036 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.726 2.091 -9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.861 0.667 -8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.551 0.692 -8.789 1.00 0.00 H new ATOM 406 N LYS A 26 15.141 -3.862 -10.620 1.00 0.00 N ATOM 407 CA LYS A 26 15.805 -5.067 -10.157 1.00 0.00 C ATOM 408 C LYS A 26 14.804 -6.224 -10.144 1.00 0.00 C ATOM 409 O LYS A 26 15.194 -7.388 -10.225 1.00 0.00 O ATOM 410 CB LYS A 26 16.479 -4.822 -8.805 1.00 0.00 C ATOM 411 CG LYS A 26 17.111 -6.107 -8.266 1.00 0.00 C ATOM 412 CD LYS A 26 16.499 -6.495 -6.918 1.00 0.00 C ATOM 413 CE LYS A 26 17.394 -6.044 -5.760 1.00 0.00 C ATOM 414 NZ LYS A 26 16.595 -5.872 -4.526 1.00 0.00 N ATOM 0 H LYS A 26 15.294 -3.040 -10.036 1.00 0.00 H new ATOM 0 HA LYS A 26 16.606 -5.346 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.244 -4.053 -8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.745 -4.446 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.966 -6.916 -8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.186 -5.969 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.513 -6.042 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.359 -7.575 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.180 -6.780 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.885 -5.105 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.216 -5.566 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.860 -5.153 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.146 -6.776 -4.274 1.00 0.00 H new ATOM 427 N ARG A 27 13.534 -5.864 -10.043 1.00 0.00 N ATOM 428 CA ARG A 27 12.473 -6.857 -10.018 1.00 0.00 C ATOM 429 C ARG A 27 12.904 -8.073 -9.195 1.00 0.00 C ATOM 430 O ARG A 27 13.354 -9.074 -9.749 1.00 0.00 O ATOM 431 CB ARG A 27 12.111 -7.311 -11.434 1.00 0.00 C ATOM 432 CG ARG A 27 11.354 -6.214 -12.184 1.00 0.00 C ATOM 433 CD ARG A 27 10.269 -6.812 -13.083 1.00 0.00 C ATOM 434 NE ARG A 27 9.003 -6.945 -12.328 1.00 0.00 N ATOM 435 CZ ARG A 27 7.977 -7.736 -12.705 1.00 0.00 C ATOM 436 NH1 ARG A 27 8.059 -8.474 -13.832 1.00 0.00 N ATOM 437 NH2 ARG A 27 6.891 -7.777 -11.955 1.00 0.00 N ATOM 0 H ARG A 27 13.215 -4.897 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 27 11.597 -6.396 -9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.018 -7.570 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.500 -8.212 -11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.901 -5.526 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.052 -5.633 -12.787 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.117 -6.176 -13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.587 -7.788 -13.451 1.00 0.00 H new ATOM 0 HE ARG A 27 8.900 -6.405 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.901 -8.436 -14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.279 -9.069 -14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.837 -7.216 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.106 -8.370 -12.226 1.00 0.00 H new ATOM 450 N PRO A 28 12.746 -7.942 -7.851 1.00 0.00 N ATOM 451 CA PRO A 28 13.112 -9.017 -6.946 1.00 0.00 C ATOM 452 C PRO A 28 12.083 -10.148 -6.992 1.00 0.00 C ATOM 453 O PRO A 28 10.886 -9.897 -7.125 1.00 0.00 O ATOM 454 CB PRO A 28 13.216 -8.362 -5.578 1.00 0.00 C ATOM 455 CG PRO A 28 12.454 -7.051 -5.684 1.00 0.00 C ATOM 456 CD PRO A 28 12.215 -6.770 -7.160 1.00 0.00 C ATOM 0 HA PRO A 28 14.055 -9.492 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 28 12.788 -9.001 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.257 -8.188 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.506 -7.116 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.023 -6.241 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.154 -6.633 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.723 -5.859 -7.477 1.00 0.00 H new ATOM 464 N LYS A 29 12.586 -11.368 -6.877 1.00 0.00 N ATOM 465 CA LYS A 29 11.725 -12.538 -6.903 1.00 0.00 C ATOM 466 C LYS A 29 12.001 -13.398 -5.669 1.00 0.00 C ATOM 467 O LYS A 29 13.090 -13.341 -5.099 1.00 0.00 O ATOM 468 CB LYS A 29 11.884 -13.290 -8.226 1.00 0.00 C ATOM 469 CG LYS A 29 13.270 -13.929 -8.330 1.00 0.00 C ATOM 470 CD LYS A 29 13.165 -15.427 -8.623 1.00 0.00 C ATOM 471 CE LYS A 29 14.543 -16.090 -8.597 1.00 0.00 C ATOM 472 NZ LYS A 29 14.964 -16.465 -9.966 1.00 0.00 N ATOM 0 H LYS A 29 13.579 -11.572 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 29 10.677 -12.241 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.117 -14.061 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.733 -12.604 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.841 -13.440 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.816 -13.775 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.516 -15.900 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.703 -15.579 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.273 -15.409 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.515 -16.976 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.901 -16.914 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.276 -17.132 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.011 -15.613 -10.561 1.00 0.00 H new ATOM 485 N PRO A 30 10.970 -14.196 -5.280 1.00 0.00 N ATOM 486 CA PRO A 30 11.093 -15.067 -4.124 1.00 0.00 C ATOM 487 C PRO A 30 11.960 -16.285 -4.443 1.00 0.00 C ATOM 488 O PRO A 30 12.088 -16.673 -5.604 1.00 0.00 O ATOM 489 CB PRO A 30 9.665 -15.435 -3.756 1.00 0.00 C ATOM 490 CG PRO A 30 8.826 -15.138 -4.989 1.00 0.00 C ATOM 491 CD PRO A 30 9.666 -14.290 -5.929 1.00 0.00 C ATOM 0 HA PRO A 30 11.595 -14.584 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.592 -16.486 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.320 -14.855 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.524 -16.064 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.913 -14.611 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.746 -14.751 -6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.224 -13.304 -6.074 1.00 0.00 H new TER 499 PRO A 30