USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=5 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 -146:sc= 0 (180deg=-0.029) USER MOD Single : A 19 SER OG : rot 97:sc= 0.0115 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 -18.005 9.339 3.988 1.00 0.00 N ATOM 2 CA MET A 1 -18.290 9.670 2.603 1.00 0.00 C ATOM 3 C MET A 1 -18.489 8.404 1.766 1.00 0.00 C ATOM 4 O MET A 1 -18.321 7.293 2.265 1.00 0.00 O ATOM 5 CB MET A 1 -17.133 10.488 2.024 1.00 0.00 C ATOM 6 CG MET A 1 -17.614 11.864 1.558 1.00 0.00 C ATOM 7 SD MET A 1 -16.954 13.134 2.624 1.00 0.00 S ATOM 8 CE MET A 1 -15.872 13.970 1.476 1.00 0.00 C ATOM 0 H1 MET A 1 -17.874 10.214 4.534 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.799 8.798 4.386 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.137 8.768 4.037 1.00 0.00 H new ATOM 0 HA MET A 1 -19.210 10.253 2.571 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.354 10.607 2.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.687 9.952 1.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.298 12.040 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.703 11.900 1.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.375 14.798 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.124 13.270 1.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.456 14.353 0.639 1.00 0.00 H new ATOM 18 N VAL A 2 -18.843 8.615 0.507 1.00 0.00 N ATOM 19 CA VAL A 2 -19.066 7.505 -0.404 1.00 0.00 C ATOM 20 C VAL A 2 -20.191 6.622 0.142 1.00 0.00 C ATOM 21 O VAL A 2 -21.365 6.975 0.043 1.00 0.00 O ATOM 22 CB VAL A 2 -17.760 6.740 -0.626 1.00 0.00 C ATOM 23 CG1 VAL A 2 -18.000 5.475 -1.452 1.00 0.00 C ATOM 24 CG2 VAL A 2 -16.707 7.633 -1.286 1.00 0.00 C ATOM 0 H VAL A 2 -18.981 9.538 0.096 1.00 0.00 H new ATOM 0 HA VAL A 2 -19.383 7.870 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.379 6.437 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.056 4.950 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.701 4.825 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.415 5.747 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.788 7.065 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.077 7.980 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.505 8.491 -0.645 1.00 0.00 H new ATOM 34 N LYS A 3 -19.792 5.491 0.704 1.00 0.00 N ATOM 35 CA LYS A 3 -20.750 4.555 1.266 1.00 0.00 C ATOM 36 C LYS A 3 -20.074 3.197 1.463 1.00 0.00 C ATOM 37 O LYS A 3 -20.442 2.442 2.362 1.00 0.00 O ATOM 38 CB LYS A 3 -22.010 4.495 0.399 1.00 0.00 C ATOM 39 CG LYS A 3 -22.732 3.157 0.573 1.00 0.00 C ATOM 40 CD LYS A 3 -24.249 3.337 0.483 1.00 0.00 C ATOM 41 CE LYS A 3 -24.904 3.164 1.855 1.00 0.00 C ATOM 42 NZ LYS A 3 -26.366 2.981 1.712 1.00 0.00 N ATOM 0 H LYS A 3 -18.817 5.201 0.782 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.082 4.892 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.680 5.312 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.742 4.634 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.399 2.458 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -22.470 2.721 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.479 4.327 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.664 2.611 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.472 2.303 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -24.700 4.037 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.795 2.865 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.776 3.815 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.555 2.134 1.138 1.00 0.00 H new ATOM 55 N SER A 4 -19.099 2.926 0.609 1.00 0.00 N ATOM 56 CA SER A 4 -18.369 1.672 0.677 1.00 0.00 C ATOM 57 C SER A 4 -16.979 1.908 1.271 1.00 0.00 C ATOM 58 O SER A 4 -16.799 1.842 2.486 1.00 0.00 O ATOM 59 CB SER A 4 -18.254 1.024 -0.703 1.00 0.00 C ATOM 60 OG SER A 4 -19.500 0.498 -1.153 1.00 0.00 O ATOM 0 H SER A 4 -18.797 3.555 -0.135 1.00 0.00 H new ATOM 0 HA SER A 4 -18.922 0.989 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.892 1.761 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.515 0.224 -0.667 1.00 0.00 H new ATOM 0 HG SER A 4 -19.384 0.095 -2.039 1.00 0.00 H new ATOM 66 N LYS A 5 -16.031 2.178 0.385 1.00 0.00 N ATOM 67 CA LYS A 5 -14.662 2.424 0.806 1.00 0.00 C ATOM 68 C LYS A 5 -13.753 2.454 -0.424 1.00 0.00 C ATOM 69 O LYS A 5 -12.837 1.640 -0.543 1.00 0.00 O ATOM 70 CB LYS A 5 -14.234 1.404 1.863 1.00 0.00 C ATOM 71 CG LYS A 5 -14.046 2.072 3.226 1.00 0.00 C ATOM 72 CD LYS A 5 -13.808 1.030 4.320 1.00 0.00 C ATOM 73 CE LYS A 5 -14.796 1.213 5.475 1.00 0.00 C ATOM 74 NZ LYS A 5 -15.098 -0.090 6.110 1.00 0.00 N ATOM 0 H LYS A 5 -16.184 2.232 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.581 3.399 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.985 0.618 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.303 0.927 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.201 2.760 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.928 2.665 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.912 0.029 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.787 1.115 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.378 1.896 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.716 1.666 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.770 0.052 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.517 -0.731 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.220 -0.508 6.480 1.00 0.00 H new ATOM 87 N ILE A 6 -14.036 3.400 -1.308 1.00 0.00 N ATOM 88 CA ILE A 6 -13.254 3.545 -2.524 1.00 0.00 C ATOM 89 C ILE A 6 -11.933 4.243 -2.196 1.00 0.00 C ATOM 90 O ILE A 6 -10.956 4.106 -2.931 1.00 0.00 O ATOM 91 CB ILE A 6 -14.073 4.256 -3.604 1.00 0.00 C ATOM 92 CG1 ILE A 6 -15.182 3.347 -4.138 1.00 0.00 C ATOM 93 CG2 ILE A 6 -13.169 4.776 -4.723 1.00 0.00 C ATOM 94 CD1 ILE A 6 -16.190 4.142 -4.970 1.00 0.00 C ATOM 0 H ILE A 6 -14.796 4.073 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.004 2.567 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.557 5.122 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.746 2.555 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -15.693 2.864 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.775 5.277 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.448 5.481 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.638 3.941 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.967 3.472 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -16.642 4.917 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -15.680 4.604 -5.815 1.00 0.00 H new ATOM 106 N GLY A 7 -11.946 4.975 -1.090 1.00 0.00 N ATOM 107 CA GLY A 7 -10.760 5.694 -0.657 1.00 0.00 C ATOM 108 C GLY A 7 -9.545 4.766 -0.603 1.00 0.00 C ATOM 109 O GLY A 7 -8.406 5.221 -0.701 1.00 0.00 O ATOM 0 H GLY A 7 -12.758 5.085 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.561 6.520 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.933 6.129 0.327 1.00 0.00 H new ATOM 113 N SER A 8 -9.828 3.480 -0.446 1.00 0.00 N ATOM 114 CA SER A 8 -8.772 2.484 -0.377 1.00 0.00 C ATOM 115 C SER A 8 -7.988 2.462 -1.691 1.00 0.00 C ATOM 116 O SER A 8 -6.861 1.972 -1.736 1.00 0.00 O ATOM 117 CB SER A 8 -9.343 1.098 -0.076 1.00 0.00 C ATOM 118 OG SER A 8 -8.506 0.356 0.807 1.00 0.00 O ATOM 0 H SER A 8 -10.773 3.106 -0.365 1.00 0.00 H new ATOM 0 HA SER A 8 -8.098 2.754 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.334 1.202 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.466 0.546 -1.008 1.00 0.00 H new ATOM 0 HG SER A 8 -8.906 -0.523 0.976 1.00 0.00 H new ATOM 124 N TRP A 9 -8.617 2.998 -2.727 1.00 0.00 N ATOM 125 CA TRP A 9 -7.991 3.046 -4.038 1.00 0.00 C ATOM 126 C TRP A 9 -6.770 3.961 -3.947 1.00 0.00 C ATOM 127 O TRP A 9 -5.640 3.516 -4.141 1.00 0.00 O ATOM 128 CB TRP A 9 -8.993 3.489 -5.107 1.00 0.00 C ATOM 129 CG TRP A 9 -9.865 2.357 -5.651 1.00 0.00 C ATOM 130 CD1 TRP A 9 -11.053 1.937 -5.193 1.00 0.00 C ATOM 131 CD2 TRP A 9 -9.568 1.509 -6.781 1.00 0.00 C ATOM 132 NE1 TRP A 9 -11.542 0.886 -5.943 1.00 0.00 N ATOM 133 CE2 TRP A 9 -10.610 0.618 -6.939 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.457 1.497 -7.642 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -10.644 -0.351 -7.949 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -8.506 0.522 -8.645 1.00 0.00 C ATOM 137 CH2 TRP A 9 -9.547 -0.383 -8.817 1.00 0.00 C ATOM 0 H TRP A 9 -9.553 3.402 -2.685 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.659 2.054 -4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.638 4.261 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.448 3.944 -5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.563 2.367 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.424 0.396 -5.794 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.631 2.185 -7.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.472 -1.037 -8.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.676 0.469 -9.334 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -9.509 -1.108 -9.617 1.00 0.00 H new ATOM 148 N ILE A 10 -7.037 5.224 -3.650 1.00 0.00 N ATOM 149 CA ILE A 10 -5.974 6.207 -3.530 1.00 0.00 C ATOM 150 C ILE A 10 -4.790 5.583 -2.789 1.00 0.00 C ATOM 151 O ILE A 10 -3.641 5.747 -3.197 1.00 0.00 O ATOM 152 CB ILE A 10 -6.498 7.489 -2.880 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.223 8.366 -3.903 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.373 8.245 -2.171 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.237 9.272 -4.644 1.00 0.00 C ATOM 0 H ILE A 10 -7.975 5.590 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.616 6.501 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.228 7.212 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.752 7.736 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.974 8.975 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.773 9.152 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.942 7.612 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.601 8.511 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.778 9.885 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.728 9.918 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.502 8.660 -5.167 1.00 0.00 H new ATOM 167 N LEU A 11 -5.110 4.879 -1.713 1.00 0.00 N ATOM 168 CA LEU A 11 -4.088 4.229 -0.912 1.00 0.00 C ATOM 169 C LEU A 11 -3.409 3.140 -1.744 1.00 0.00 C ATOM 170 O LEU A 11 -2.188 3.136 -1.890 1.00 0.00 O ATOM 171 CB LEU A 11 -4.682 3.718 0.403 1.00 0.00 C ATOM 172 CG LEU A 11 -4.067 4.288 1.683 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.618 3.826 1.849 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.190 5.814 1.718 1.00 0.00 C ATOM 0 H LEU A 11 -6.064 4.745 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.315 4.943 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.749 3.939 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.581 2.633 0.427 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.628 3.900 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.205 4.246 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.587 2.738 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.028 4.165 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.745 6.194 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.670 6.241 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.242 6.095 1.681 1.00 0.00 H new ATOM 186 N VAL A 12 -4.230 2.242 -2.268 1.00 0.00 N ATOM 187 CA VAL A 12 -3.724 1.149 -3.082 1.00 0.00 C ATOM 188 C VAL A 12 -2.945 1.721 -4.267 1.00 0.00 C ATOM 189 O VAL A 12 -2.160 1.015 -4.898 1.00 0.00 O ATOM 190 CB VAL A 12 -4.877 0.238 -3.509 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.415 -0.772 -4.563 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.491 -0.472 -2.301 1.00 0.00 C ATOM 0 H VAL A 12 -5.243 2.249 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.035 0.531 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.649 0.862 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.253 -1.408 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.046 -0.240 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.616 -1.389 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.308 -1.113 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.730 -1.079 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.873 0.269 -1.599 1.00 0.00 H new ATOM 202 N LEU A 13 -3.186 2.997 -4.534 1.00 0.00 N ATOM 203 CA LEU A 13 -2.516 3.672 -5.631 1.00 0.00 C ATOM 204 C LEU A 13 -1.139 4.152 -5.166 1.00 0.00 C ATOM 205 O LEU A 13 -0.144 3.962 -5.862 1.00 0.00 O ATOM 206 CB LEU A 13 -3.398 4.789 -6.193 1.00 0.00 C ATOM 207 CG LEU A 13 -4.699 4.342 -6.864 1.00 0.00 C ATOM 208 CD1 LEU A 13 -5.040 5.244 -8.053 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.631 2.867 -7.265 1.00 0.00 C ATOM 0 H LEU A 13 -3.837 3.581 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.351 2.981 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.647 5.472 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.814 5.356 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.508 4.442 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.969 4.905 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.159 6.271 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.235 5.199 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.568 2.575 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.808 2.718 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.468 2.256 -6.377 1.00 0.00 H new ATOM 221 N PHE A 14 -1.128 4.764 -3.992 1.00 0.00 N ATOM 222 CA PHE A 14 0.109 5.272 -3.424 1.00 0.00 C ATOM 223 C PHE A 14 1.134 4.150 -3.251 1.00 0.00 C ATOM 224 O PHE A 14 2.339 4.389 -3.315 1.00 0.00 O ATOM 225 CB PHE A 14 -0.233 5.851 -2.050 1.00 0.00 C ATOM 226 CG PHE A 14 -1.065 7.134 -2.105 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.523 7.597 -3.299 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.347 7.811 -0.959 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.295 8.787 -3.350 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.120 9.001 -1.010 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.578 9.465 -2.204 1.00 0.00 C ATOM 0 H PHE A 14 -1.956 4.920 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 14 0.541 6.023 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.778 5.101 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.693 6.053 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.299 7.059 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.983 7.443 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.658 9.155 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.344 9.538 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.166 10.370 -2.243 1.00 0.00 H new ATOM 241 N VAL A 15 0.619 2.950 -3.033 1.00 0.00 N ATOM 242 CA VAL A 15 1.474 1.790 -2.850 1.00 0.00 C ATOM 243 C VAL A 15 1.719 1.123 -4.204 1.00 0.00 C ATOM 244 O VAL A 15 2.680 0.371 -4.366 1.00 0.00 O ATOM 245 CB VAL A 15 0.856 0.841 -1.819 1.00 0.00 C ATOM 246 CG1 VAL A 15 1.055 1.372 -0.398 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.626 0.602 -2.114 1.00 0.00 C ATOM 0 H VAL A 15 -0.381 2.755 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 15 2.445 2.090 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 15 1.370 -0.117 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.607 0.680 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.121 1.467 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.579 2.348 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.041 -0.075 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.161 1.551 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.733 0.160 -3.104 1.00 0.00 H new ATOM 257 N ALA A 16 0.835 1.422 -5.144 1.00 0.00 N ATOM 258 CA ALA A 16 0.944 0.861 -6.481 1.00 0.00 C ATOM 259 C ALA A 16 1.888 1.725 -7.317 1.00 0.00 C ATOM 260 O ALA A 16 2.617 1.213 -8.165 1.00 0.00 O ATOM 261 CB ALA A 16 -0.450 0.750 -7.103 1.00 0.00 C ATOM 0 H ALA A 16 0.040 2.046 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 16 1.365 -0.144 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.369 0.330 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.073 0.101 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.903 1.740 -7.160 1.00 0.00 H new ATOM 267 N MET A 17 1.846 3.022 -7.048 1.00 0.00 N ATOM 268 CA MET A 17 2.691 3.963 -7.765 1.00 0.00 C ATOM 269 C MET A 17 4.157 3.801 -7.363 1.00 0.00 C ATOM 270 O MET A 17 5.055 3.995 -8.182 1.00 0.00 O ATOM 271 CB MET A 17 2.233 5.392 -7.464 1.00 0.00 C ATOM 272 CG MET A 17 2.774 6.372 -8.506 1.00 0.00 C ATOM 273 SD MET A 17 2.793 8.026 -7.837 1.00 0.00 S ATOM 274 CE MET A 17 4.322 7.971 -6.918 1.00 0.00 C ATOM 0 H MET A 17 1.240 3.443 -6.344 1.00 0.00 H new ATOM 0 HA MET A 17 2.603 3.761 -8.832 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.144 5.434 -7.451 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.575 5.686 -6.471 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.781 6.080 -8.804 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.155 6.341 -9.403 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.229 8.582 -6.020 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.540 6.941 -6.635 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.132 8.356 -7.537 1.00 0.00 H new ATOM 284 N TRP A 18 4.356 3.447 -6.102 1.00 0.00 N ATOM 285 CA TRP A 18 5.699 3.256 -5.581 1.00 0.00 C ATOM 286 C TRP A 18 6.193 1.882 -6.037 1.00 0.00 C ATOM 287 O TRP A 18 7.362 1.722 -6.384 1.00 0.00 O ATOM 288 CB TRP A 18 5.726 3.427 -4.061 1.00 0.00 C ATOM 289 CG TRP A 18 6.687 2.474 -3.344 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.930 2.131 -3.707 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.431 1.754 -2.121 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.491 1.245 -2.811 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.550 1.009 -1.816 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.290 1.734 -1.299 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.640 0.187 -0.685 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.395 0.907 -0.173 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.516 0.151 0.148 1.00 0.00 C ATOM 0 H TRP A 18 3.609 3.287 -5.426 1.00 0.00 H new ATOM 0 HA TRP A 18 6.376 4.016 -5.972 1.00 0.00 H new ATOM 0 HB2 TRP A 18 6.006 4.454 -3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.720 3.274 -3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.430 2.501 -4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.425 0.838 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.403 2.310 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.528 -0.388 -0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.546 0.853 0.492 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.520 -0.462 1.037 1.00 0.00 H new ATOM 308 N SER A 19 5.276 0.924 -6.022 1.00 0.00 N ATOM 309 CA SER A 19 5.604 -0.431 -6.431 1.00 0.00 C ATOM 310 C SER A 19 5.964 -0.458 -7.918 1.00 0.00 C ATOM 311 O SER A 19 6.590 -1.404 -8.392 1.00 0.00 O ATOM 312 CB SER A 19 4.443 -1.387 -6.149 1.00 0.00 C ATOM 313 OG SER A 19 4.571 -2.022 -4.879 1.00 0.00 O ATOM 0 H SER A 19 4.307 1.060 -5.733 1.00 0.00 H new ATOM 0 HA SER A 19 6.464 -0.764 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.503 -0.837 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.400 -2.145 -6.931 1.00 0.00 H new ATOM 0 HG SER A 19 4.040 -1.535 -4.215 1.00 0.00 H new ATOM 319 N ASP A 20 5.552 0.593 -8.612 1.00 0.00 N ATOM 320 CA ASP A 20 5.823 0.702 -10.035 1.00 0.00 C ATOM 321 C ASP A 20 7.227 1.274 -10.240 1.00 0.00 C ATOM 322 O ASP A 20 7.976 0.801 -11.095 1.00 0.00 O ATOM 323 CB ASP A 20 4.826 1.643 -10.715 1.00 0.00 C ATOM 324 CG ASP A 20 4.953 1.728 -12.238 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.303 0.972 -12.975 1.00 0.00 O ATOM 326 OD2 ASP A 20 5.771 2.627 -12.668 1.00 0.00 O ATOM 0 H ASP A 20 5.033 1.376 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 20 5.736 -0.293 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.815 1.318 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.951 2.643 -10.299 1.00 0.00 H new ATOM 332 N VAL A 21 7.544 2.283 -9.441 1.00 0.00 N ATOM 333 CA VAL A 21 8.845 2.924 -9.524 1.00 0.00 C ATOM 334 C VAL A 21 9.934 1.903 -9.188 1.00 0.00 C ATOM 335 O VAL A 21 11.088 2.069 -9.579 1.00 0.00 O ATOM 336 CB VAL A 21 8.881 4.156 -8.618 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.320 4.612 -8.369 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.039 5.291 -9.204 1.00 0.00 C ATOM 0 H VAL A 21 6.922 2.672 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 21 9.032 3.278 -10.538 1.00 0.00 H new ATOM 0 HB VAL A 21 8.447 3.879 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.317 5.489 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.878 3.809 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.792 4.863 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.081 6.155 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.430 5.566 -10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.005 4.962 -9.306 1.00 0.00 H new ATOM 348 N GLY A 22 9.528 0.869 -8.465 1.00 0.00 N ATOM 349 CA GLY A 22 10.455 -0.178 -8.072 1.00 0.00 C ATOM 350 C GLY A 22 11.091 -0.838 -9.298 1.00 0.00 C ATOM 351 O GLY A 22 12.314 -0.916 -9.401 1.00 0.00 O ATOM 0 H GLY A 22 8.570 0.734 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.234 0.242 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.931 -0.929 -7.481 1.00 0.00 H new ATOM 355 N LEU A 23 10.232 -1.295 -10.196 1.00 0.00 N ATOM 356 CA LEU A 23 10.694 -1.944 -11.412 1.00 0.00 C ATOM 357 C LEU A 23 10.648 -0.944 -12.568 1.00 0.00 C ATOM 358 O LEU A 23 9.987 -1.186 -13.577 1.00 0.00 O ATOM 359 CB LEU A 23 9.896 -3.223 -11.673 1.00 0.00 C ATOM 360 CG LEU A 23 10.226 -4.415 -10.770 1.00 0.00 C ATOM 361 CD1 LEU A 23 9.116 -5.467 -10.825 1.00 0.00 C ATOM 362 CD2 LEU A 23 11.593 -5.006 -11.119 1.00 0.00 C ATOM 0 H LEU A 23 9.218 -1.229 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 23 11.732 -2.260 -11.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.836 -2.994 -11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.055 -3.522 -12.709 1.00 0.00 H new ATOM 0 HG LEU A 23 10.283 -4.059 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.375 -6.303 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.178 -5.024 -10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.004 -5.824 -11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.802 -5.851 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.590 -5.344 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.363 -4.245 -10.988 1.00 0.00 H new ATOM 374 N CYS A 24 11.358 0.159 -12.384 1.00 0.00 N ATOM 375 CA CYS A 24 11.407 1.197 -13.400 1.00 0.00 C ATOM 376 C CYS A 24 12.874 1.504 -13.703 1.00 0.00 C ATOM 377 O CYS A 24 13.509 2.281 -12.992 1.00 0.00 O ATOM 378 CB CYS A 24 10.639 2.448 -12.968 1.00 0.00 C ATOM 379 SG CYS A 24 10.447 3.587 -14.387 1.00 0.00 S ATOM 0 H CYS A 24 11.905 0.357 -11.546 1.00 0.00 H new ATOM 0 HA CYS A 24 10.916 0.845 -14.307 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.659 2.168 -12.581 1.00 0.00 H new ATOM 0 HB3 CYS A 24 11.170 2.949 -12.158 1.00 0.00 H new ATOM 0 HG CYS A 24 9.792 4.644 -14.009 1.00 0.00 H new ATOM 385 N LYS A 25 13.370 0.878 -14.761 1.00 0.00 N ATOM 386 CA LYS A 25 14.752 1.074 -15.167 1.00 0.00 C ATOM 387 C LYS A 25 15.678 0.698 -14.008 1.00 0.00 C ATOM 388 O LYS A 25 16.459 1.526 -13.540 1.00 0.00 O ATOM 389 CB LYS A 25 14.960 2.500 -15.683 1.00 0.00 C ATOM 390 CG LYS A 25 15.296 2.499 -17.176 1.00 0.00 C ATOM 391 CD LYS A 25 16.809 2.426 -17.397 1.00 0.00 C ATOM 392 CE LYS A 25 17.425 3.826 -17.434 1.00 0.00 C ATOM 393 NZ LYS A 25 18.820 3.791 -16.942 1.00 0.00 N ATOM 0 H LYS A 25 12.840 0.235 -15.349 1.00 0.00 H new ATOM 0 HA LYS A 25 15.002 0.417 -16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.059 3.088 -15.510 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.765 2.979 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.813 1.651 -17.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.900 3.401 -17.642 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.269 1.843 -16.599 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.019 1.907 -18.332 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.402 4.213 -18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.834 4.506 -16.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.223 4.749 -16.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.834 3.442 -15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.384 3.158 -17.544 1.00 0.00 H new ATOM 406 N LYS A 26 15.561 -0.550 -13.581 1.00 0.00 N ATOM 407 CA LYS A 26 16.378 -1.046 -12.487 1.00 0.00 C ATOM 408 C LYS A 26 16.442 0.012 -11.383 1.00 0.00 C ATOM 409 O LYS A 26 17.353 0.839 -11.362 1.00 0.00 O ATOM 410 CB LYS A 26 17.751 -1.483 -12.999 1.00 0.00 C ATOM 411 CG LYS A 26 18.140 -2.848 -12.429 1.00 0.00 C ATOM 412 CD LYS A 26 19.572 -2.830 -11.890 1.00 0.00 C ATOM 413 CE LYS A 26 20.579 -3.139 -13.001 1.00 0.00 C ATOM 414 NZ LYS A 26 21.911 -2.593 -12.659 1.00 0.00 N ATOM 0 H LYS A 26 14.913 -1.233 -13.973 1.00 0.00 H new ATOM 0 HA LYS A 26 15.928 -1.937 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.739 -1.530 -14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.500 -0.742 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.451 -3.122 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.049 -3.609 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.790 -1.853 -11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.672 -3.562 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.648 -4.217 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.234 -2.710 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 22.582 -2.811 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 21.844 -1.562 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 22.245 -3.022 -11.772 1.00 0.00 H new ATOM 427 N ARG A 27 15.462 -0.047 -10.493 1.00 0.00 N ATOM 428 CA ARG A 27 15.396 0.896 -9.390 1.00 0.00 C ATOM 429 C ARG A 27 15.605 0.171 -8.058 1.00 0.00 C ATOM 430 O ARG A 27 14.659 -0.367 -7.485 1.00 0.00 O ATOM 431 CB ARG A 27 14.047 1.618 -9.363 1.00 0.00 C ATOM 432 CG ARG A 27 14.165 2.974 -8.664 1.00 0.00 C ATOM 433 CD ARG A 27 13.760 2.870 -7.192 1.00 0.00 C ATOM 434 NE ARG A 27 14.787 3.508 -6.338 1.00 0.00 N ATOM 435 CZ ARG A 27 14.557 3.960 -5.088 1.00 0.00 C ATOM 436 NH1 ARG A 27 13.331 3.846 -4.532 1.00 0.00 N ATOM 437 NH2 ARG A 27 15.548 4.514 -4.414 1.00 0.00 N ATOM 0 H ARG A 27 14.708 -0.733 -10.514 1.00 0.00 H new ATOM 0 HA ARG A 27 16.187 1.632 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.686 1.760 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.311 1.002 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.190 3.337 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.531 3.703 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.795 3.353 -7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.641 1.823 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 27 15.728 3.612 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.571 3.415 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.166 4.190 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.471 4.595 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.390 4.861 -3.468 1.00 0.00 H new ATOM 450 N PRO A 28 16.884 0.178 -7.594 1.00 0.00 N ATOM 451 CA PRO A 28 17.229 -0.472 -6.341 1.00 0.00 C ATOM 452 C PRO A 28 16.753 0.354 -5.146 1.00 0.00 C ATOM 453 O PRO A 28 16.329 1.498 -5.305 1.00 0.00 O ATOM 454 CB PRO A 28 18.740 -0.635 -6.387 1.00 0.00 C ATOM 455 CG PRO A 28 19.232 0.340 -7.443 1.00 0.00 C ATOM 456 CD PRO A 28 18.030 0.804 -8.247 1.00 0.00 C ATOM 0 HA PRO A 28 16.740 -1.439 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.186 -0.418 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.015 -1.658 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.729 1.190 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.964 -0.139 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.945 1.891 -8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.108 0.497 -9.290 1.00 0.00 H new ATOM 464 N LYS A 29 16.838 -0.257 -3.973 1.00 0.00 N ATOM 465 CA LYS A 29 16.421 0.408 -2.750 1.00 0.00 C ATOM 466 C LYS A 29 14.914 0.666 -2.803 1.00 0.00 C ATOM 467 O LYS A 29 14.476 1.723 -3.257 1.00 0.00 O ATOM 468 CB LYS A 29 17.254 1.671 -2.517 1.00 0.00 C ATOM 469 CG LYS A 29 17.249 2.065 -1.038 1.00 0.00 C ATOM 470 CD LYS A 29 18.423 1.424 -0.296 1.00 0.00 C ATOM 471 CE LYS A 29 17.930 0.438 0.765 1.00 0.00 C ATOM 472 NZ LYS A 29 18.919 -0.644 0.967 1.00 0.00 N ATOM 0 H LYS A 29 17.190 -1.206 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 29 16.605 -0.231 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.278 1.502 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.856 2.490 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.305 3.150 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.311 1.755 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.068 0.907 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.026 2.200 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.759 0.962 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.974 0.013 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.569 -1.304 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.062 -1.155 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.822 -0.235 1.281 1.00 0.00 H new ATOM 485 N PRO A 30 14.141 -0.343 -2.320 1.00 0.00 N ATOM 486 CA PRO A 30 12.691 -0.236 -2.308 1.00 0.00 C ATOM 487 C PRO A 30 12.221 0.704 -1.196 1.00 0.00 C ATOM 488 O PRO A 30 13.004 1.085 -0.328 1.00 0.00 O ATOM 489 CB PRO A 30 12.194 -1.661 -2.132 1.00 0.00 C ATOM 490 CG PRO A 30 13.373 -2.451 -1.588 1.00 0.00 C ATOM 491 CD PRO A 30 14.624 -1.609 -1.774 1.00 0.00 C ATOM 0 HA PRO A 30 12.292 0.200 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.349 -1.698 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.851 -2.075 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.223 -2.684 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.471 -3.401 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.145 -1.459 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.328 -2.090 -2.453 1.00 0.00 H new TER 499 PRO A 30