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 -117:sc= -1.74! (180deg=-4.07!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 87:sc= 1.18 USER MOD Single : A 24 CYS SG : rot 50:sc= -0.136 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+ 166:sc= 0 (180deg=-0.0997) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.315 -2.172 -3.869 1.00 0.00 N ATOM 2 CA MET A 1 -17.246 -2.725 -2.900 1.00 0.00 C ATOM 3 C MET A 1 -18.502 -1.859 -2.790 1.00 0.00 C ATOM 4 O MET A 1 -19.565 -2.236 -3.281 1.00 0.00 O ATOM 5 CB MET A 1 -16.567 -2.815 -1.532 1.00 0.00 C ATOM 6 CG MET A 1 -15.738 -4.095 -1.414 1.00 0.00 C ATOM 7 SD MET A 1 -16.813 -5.495 -1.146 1.00 0.00 S ATOM 8 CE MET A 1 -16.989 -6.077 -2.824 1.00 0.00 C ATOM 0 H1 MET A 1 -15.472 -2.778 -3.925 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.771 -2.127 -4.802 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.035 -1.215 -3.574 1.00 0.00 H new ATOM 0 HA MET A 1 -17.541 -3.719 -3.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.925 -1.947 -1.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.321 -2.792 -0.746 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.152 -4.244 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.031 -4.006 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.033 -6.000 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.372 -5.470 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.669 -7.117 -2.884 1.00 0.00 H new ATOM 18 N VAL A 2 -18.338 -0.714 -2.144 1.00 0.00 N ATOM 19 CA VAL A 2 -19.446 0.209 -1.963 1.00 0.00 C ATOM 20 C VAL A 2 -19.003 1.616 -2.369 1.00 0.00 C ATOM 21 O VAL A 2 -17.809 1.908 -2.403 1.00 0.00 O ATOM 22 CB VAL A 2 -19.960 0.135 -0.525 1.00 0.00 C ATOM 23 CG1 VAL A 2 -21.394 0.662 -0.426 1.00 0.00 C ATOM 24 CG2 VAL A 2 -19.863 -1.292 0.020 1.00 0.00 C ATOM 0 H VAL A 2 -17.454 -0.404 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.282 -0.067 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.325 0.773 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.735 0.598 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.423 1.701 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.047 0.063 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.235 -1.316 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.462 -1.960 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.823 -1.618 0.004 1.00 0.00 H new ATOM 34 N LYS A 3 -19.988 2.451 -2.663 1.00 0.00 N ATOM 35 CA LYS A 3 -19.715 3.820 -3.064 1.00 0.00 C ATOM 36 C LYS A 3 -18.977 4.540 -1.933 1.00 0.00 C ATOM 37 O LYS A 3 -18.306 5.544 -2.165 1.00 0.00 O ATOM 38 CB LYS A 3 -21.004 4.520 -3.499 1.00 0.00 C ATOM 39 CG LYS A 3 -20.872 5.079 -4.917 1.00 0.00 C ATOM 40 CD LYS A 3 -21.554 6.444 -5.033 1.00 0.00 C ATOM 41 CE LYS A 3 -22.660 6.416 -6.090 1.00 0.00 C ATOM 42 NZ LYS A 3 -22.106 6.727 -7.428 1.00 0.00 N ATOM 0 H LYS A 3 -20.978 2.205 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.061 3.837 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -21.836 3.817 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.235 5.329 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.818 5.172 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.317 4.384 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.975 6.727 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.816 7.202 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -23.132 5.434 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.435 7.139 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.869 6.704 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.676 7.674 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.383 6.022 -7.677 1.00 0.00 H new ATOM 55 N SER A 4 -19.128 3.999 -0.733 1.00 0.00 N ATOM 56 CA SER A 4 -18.484 4.577 0.435 1.00 0.00 C ATOM 57 C SER A 4 -17.026 4.123 0.508 1.00 0.00 C ATOM 58 O SER A 4 -16.198 4.778 1.140 1.00 0.00 O ATOM 59 CB SER A 4 -19.224 4.194 1.718 1.00 0.00 C ATOM 60 OG SER A 4 -20.216 5.155 2.070 1.00 0.00 O ATOM 0 H SER A 4 -19.687 3.167 -0.544 1.00 0.00 H new ATOM 0 HA SER A 4 -18.515 5.662 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.694 3.219 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.508 4.097 2.534 1.00 0.00 H new ATOM 0 HG SER A 4 -20.667 4.873 2.893 1.00 0.00 H new ATOM 66 N LYS A 5 -16.754 3.004 -0.149 1.00 0.00 N ATOM 67 CA LYS A 5 -15.409 2.455 -0.166 1.00 0.00 C ATOM 68 C LYS A 5 -14.731 2.818 -1.489 1.00 0.00 C ATOM 69 O LYS A 5 -14.277 1.939 -2.220 1.00 0.00 O ATOM 70 CB LYS A 5 -15.441 0.951 0.116 1.00 0.00 C ATOM 71 CG LYS A 5 -14.338 0.554 1.100 1.00 0.00 C ATOM 72 CD LYS A 5 -14.933 0.064 2.421 1.00 0.00 C ATOM 73 CE LYS A 5 -13.861 -0.016 3.509 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.296 -0.915 4.601 1.00 0.00 N ATOM 0 H LYS A 5 -17.442 2.463 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.809 2.893 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.413 0.674 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.317 0.400 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.720 -0.230 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.686 1.408 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.728 0.739 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.385 -0.917 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.927 -0.380 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.663 0.979 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.556 -0.958 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.176 -0.552 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.462 -1.868 4.220 1.00 0.00 H new ATOM 87 N ILE A 6 -14.685 4.114 -1.756 1.00 0.00 N ATOM 88 CA ILE A 6 -14.071 4.605 -2.978 1.00 0.00 C ATOM 89 C ILE A 6 -12.730 5.263 -2.642 1.00 0.00 C ATOM 90 O ILE A 6 -11.863 5.388 -3.505 1.00 0.00 O ATOM 91 CB ILE A 6 -15.035 5.524 -3.731 1.00 0.00 C ATOM 92 CG1 ILE A 6 -16.155 4.720 -4.392 1.00 0.00 C ATOM 93 CG2 ILE A 6 -14.285 6.399 -4.737 1.00 0.00 C ATOM 94 CD1 ILE A 6 -15.630 3.938 -5.599 1.00 0.00 C ATOM 0 H ILE A 6 -15.063 4.840 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.860 3.778 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.503 6.193 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -16.589 4.030 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -16.952 5.392 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -14.993 7.043 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.555 7.014 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.771 5.764 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.447 3.375 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -15.219 4.633 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -14.850 3.249 -5.275 1.00 0.00 H new ATOM 106 N GLY A 7 -12.603 5.664 -1.386 1.00 0.00 N ATOM 107 CA GLY A 7 -11.383 6.305 -0.925 1.00 0.00 C ATOM 108 C GLY A 7 -10.391 5.272 -0.387 1.00 0.00 C ATOM 109 O GLY A 7 -9.630 5.560 0.536 1.00 0.00 O ATOM 0 H GLY A 7 -13.325 5.558 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.927 6.860 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.620 7.028 -0.144 1.00 0.00 H new ATOM 113 N SER A 8 -10.432 4.091 -0.986 1.00 0.00 N ATOM 114 CA SER A 8 -9.545 3.014 -0.579 1.00 0.00 C ATOM 115 C SER A 8 -8.531 2.724 -1.687 1.00 0.00 C ATOM 116 O SER A 8 -7.463 2.172 -1.427 1.00 0.00 O ATOM 117 CB SER A 8 -10.335 1.749 -0.238 1.00 0.00 C ATOM 118 OG SER A 8 -9.563 0.825 0.522 1.00 0.00 O ATOM 0 H SER A 8 -11.066 3.856 -1.750 1.00 0.00 H new ATOM 0 HA SER A 8 -9.013 3.330 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.230 2.021 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.669 1.271 -1.159 1.00 0.00 H new ATOM 0 HG SER A 8 -10.104 0.032 0.720 1.00 0.00 H new ATOM 124 N TRP A 9 -8.900 3.109 -2.899 1.00 0.00 N ATOM 125 CA TRP A 9 -8.036 2.898 -4.048 1.00 0.00 C ATOM 126 C TRP A 9 -6.867 3.880 -3.948 1.00 0.00 C ATOM 127 O TRP A 9 -5.730 3.531 -4.260 1.00 0.00 O ATOM 128 CB TRP A 9 -8.820 3.031 -5.356 1.00 0.00 C ATOM 129 CG TRP A 9 -8.708 4.409 -6.010 1.00 0.00 C ATOM 130 CD1 TRP A 9 -9.505 5.473 -5.835 1.00 0.00 C ATOM 131 CD2 TRP A 9 -7.704 4.833 -6.957 1.00 0.00 C ATOM 132 NE1 TRP A 9 -9.090 6.546 -6.597 1.00 0.00 N ATOM 133 CE2 TRP A 9 -7.961 6.145 -7.300 1.00 0.00 C ATOM 134 CE3 TRP A 9 -6.616 4.132 -7.504 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.174 6.868 -8.205 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -5.839 4.868 -8.406 1.00 0.00 C ATOM 137 CH2 TRP A 9 -6.084 6.189 -8.762 1.00 0.00 C ATOM 0 H TRP A 9 -9.787 3.566 -3.111 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.638 1.883 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.466 2.277 -6.059 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.871 2.817 -5.161 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.364 5.488 -5.180 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.531 7.465 -6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.397 3.106 -7.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.396 7.894 -8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.990 4.375 -8.857 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.436 6.690 -9.466 1.00 0.00 H new ATOM 148 N ILE A 10 -7.189 5.090 -3.513 1.00 0.00 N ATOM 149 CA ILE A 10 -6.180 6.125 -3.367 1.00 0.00 C ATOM 150 C ILE A 10 -4.984 5.562 -2.598 1.00 0.00 C ATOM 151 O ILE A 10 -3.835 5.864 -2.921 1.00 0.00 O ATOM 152 CB ILE A 10 -6.786 7.378 -2.732 1.00 0.00 C ATOM 153 CG1 ILE A 10 -5.753 8.503 -2.646 1.00 0.00 C ATOM 154 CG2 ILE A 10 -7.399 7.058 -1.367 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.922 9.492 -3.801 1.00 0.00 C ATOM 0 H ILE A 10 -8.134 5.376 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.811 6.438 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.593 7.730 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.859 9.027 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.748 8.081 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.823 7.965 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.185 6.312 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.627 6.668 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.175 10.282 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.792 8.970 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.919 9.930 -3.762 1.00 0.00 H new ATOM 167 N LEU A 11 -5.294 4.754 -1.595 1.00 0.00 N ATOM 168 CA LEU A 11 -4.258 4.145 -0.777 1.00 0.00 C ATOM 169 C LEU A 11 -3.466 3.147 -1.623 1.00 0.00 C ATOM 170 O LEU A 11 -2.248 3.260 -1.745 1.00 0.00 O ATOM 171 CB LEU A 11 -4.865 3.535 0.489 1.00 0.00 C ATOM 172 CG LEU A 11 -4.344 4.090 1.817 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.845 3.824 1.972 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.680 5.575 1.960 1.00 0.00 C ATOM 0 H LEU A 11 -6.247 4.507 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.552 4.900 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.945 3.679 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.686 2.460 0.472 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.850 3.566 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.500 4.228 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.662 2.750 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.304 4.304 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.299 5.944 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.220 6.132 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.761 5.708 1.926 1.00 0.00 H new ATOM 186 N VAL A 12 -4.193 2.191 -2.185 1.00 0.00 N ATOM 187 CA VAL A 12 -3.572 1.172 -3.017 1.00 0.00 C ATOM 188 C VAL A 12 -2.904 1.840 -4.219 1.00 0.00 C ATOM 189 O VAL A 12 -2.087 1.223 -4.901 1.00 0.00 O ATOM 190 CB VAL A 12 -4.611 0.122 -3.416 1.00 0.00 C ATOM 191 CG1 VAL A 12 -3.953 -1.042 -4.161 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.386 -0.376 -2.195 1.00 0.00 C ATOM 0 H VAL A 12 -5.204 2.100 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.793 0.647 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.323 0.595 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.712 -1.775 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.468 -0.669 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.210 -1.512 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.118 -1.121 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.693 -0.824 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.900 0.462 -1.724 1.00 0.00 H new ATOM 202 N LEU A 13 -3.275 3.093 -4.444 1.00 0.00 N ATOM 203 CA LEU A 13 -2.720 3.850 -5.552 1.00 0.00 C ATOM 204 C LEU A 13 -1.266 4.210 -5.241 1.00 0.00 C ATOM 205 O LEU A 13 -0.368 3.920 -6.030 1.00 0.00 O ATOM 206 CB LEU A 13 -3.599 5.062 -5.867 1.00 0.00 C ATOM 207 CG LEU A 13 -2.892 6.418 -5.887 1.00 0.00 C ATOM 208 CD1 LEU A 13 -1.740 6.420 -6.894 1.00 0.00 C ATOM 209 CD2 LEU A 13 -3.885 7.551 -6.151 1.00 0.00 C ATOM 0 H LEU A 13 -3.953 3.602 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.712 3.246 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.066 4.904 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.402 5.104 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.460 6.592 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.254 7.396 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.016 5.652 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.128 6.213 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.356 8.504 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.367 7.395 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.641 7.563 -5.365 1.00 0.00 H new ATOM 221 N PHE A 14 -1.078 4.839 -4.089 1.00 0.00 N ATOM 222 CA PHE A 14 0.251 5.242 -3.665 1.00 0.00 C ATOM 223 C PHE A 14 1.201 4.043 -3.623 1.00 0.00 C ATOM 224 O PHE A 14 2.296 4.095 -4.179 1.00 0.00 O ATOM 225 CB PHE A 14 0.115 5.819 -2.254 1.00 0.00 C ATOM 226 CG PHE A 14 -0.823 7.023 -2.163 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.810 7.972 -3.137 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.672 7.146 -1.107 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.680 9.090 -3.052 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.543 8.265 -1.022 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.529 9.213 -1.997 1.00 0.00 C ATOM 0 H PHE A 14 -1.825 5.079 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 14 0.659 5.971 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.248 5.038 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.102 6.112 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.137 7.875 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.684 6.393 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.668 9.843 -3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.216 8.363 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.192 10.063 -1.933 1.00 0.00 H new ATOM 241 N VAL A 15 0.746 2.991 -2.958 1.00 0.00 N ATOM 242 CA VAL A 15 1.541 1.781 -2.837 1.00 0.00 C ATOM 243 C VAL A 15 1.777 1.190 -4.228 1.00 0.00 C ATOM 244 O VAL A 15 2.731 0.440 -4.434 1.00 0.00 O ATOM 245 CB VAL A 15 0.860 0.801 -1.879 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.613 1.451 -0.516 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.443 0.267 -2.476 1.00 0.00 C ATOM 0 H VAL A 15 -0.163 2.952 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 15 2.518 2.007 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 15 1.531 -0.045 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.128 0.734 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.564 1.760 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.030 2.323 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.907 -0.427 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.123 1.097 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.230 -0.250 -3.411 1.00 0.00 H new ATOM 257 N ALA A 16 0.893 1.549 -5.147 1.00 0.00 N ATOM 258 CA ALA A 16 0.994 1.063 -6.513 1.00 0.00 C ATOM 259 C ALA A 16 2.048 1.878 -7.263 1.00 0.00 C ATOM 260 O ALA A 16 2.885 1.317 -7.970 1.00 0.00 O ATOM 261 CB ALA A 16 -0.381 1.131 -7.181 1.00 0.00 C ATOM 0 H ALA A 16 0.103 2.171 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 16 1.313 0.021 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.306 0.767 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.086 0.512 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.732 2.163 -7.188 1.00 0.00 H new ATOM 267 N MET A 17 1.975 3.189 -7.084 1.00 0.00 N ATOM 268 CA MET A 17 2.913 4.087 -7.735 1.00 0.00 C ATOM 269 C MET A 17 4.351 3.774 -7.319 1.00 0.00 C ATOM 270 O MET A 17 5.267 3.838 -8.137 1.00 0.00 O ATOM 271 CB MET A 17 2.577 5.533 -7.365 1.00 0.00 C ATOM 272 CG MET A 17 2.265 6.360 -8.614 1.00 0.00 C ATOM 273 SD MET A 17 2.063 8.079 -8.173 1.00 0.00 S ATOM 274 CE MET A 17 3.520 8.768 -8.938 1.00 0.00 C ATOM 0 H MET A 17 1.280 3.651 -6.497 1.00 0.00 H new ATOM 0 HA MET A 17 2.829 3.950 -8.813 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.721 5.550 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.415 5.979 -6.829 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.071 6.255 -9.341 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.357 5.989 -9.089 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.551 9.843 -8.759 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.409 8.303 -8.512 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.491 8.580 -10.011 1.00 0.00 H new ATOM 284 N TRP A 18 4.505 3.443 -6.045 1.00 0.00 N ATOM 285 CA TRP A 18 5.816 3.119 -5.509 1.00 0.00 C ATOM 286 C TRP A 18 6.232 1.756 -6.065 1.00 0.00 C ATOM 287 O TRP A 18 7.307 1.622 -6.647 1.00 0.00 O ATOM 288 CB TRP A 18 5.810 3.164 -3.980 1.00 0.00 C ATOM 289 CG TRP A 18 5.199 4.441 -3.397 1.00 0.00 C ATOM 290 CD1 TRP A 18 5.297 5.691 -3.867 1.00 0.00 C ATOM 291 CD2 TRP A 18 4.387 4.539 -2.207 1.00 0.00 C ATOM 292 NE1 TRP A 18 4.610 6.586 -3.072 1.00 0.00 N ATOM 293 CE2 TRP A 18 4.040 5.863 -2.030 1.00 0.00 C ATOM 294 CE3 TRP A 18 3.961 3.544 -1.311 1.00 0.00 C ATOM 295 CZ2 TRP A 18 3.250 6.313 -0.965 1.00 0.00 C ATOM 296 CZ3 TRP A 18 3.173 4.009 -0.252 1.00 0.00 C ATOM 297 CH2 TRP A 18 2.814 5.338 -0.060 1.00 0.00 C ATOM 0 H TRP A 18 3.743 3.392 -5.369 1.00 0.00 H new ATOM 0 HA TRP A 18 6.552 3.860 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.256 2.304 -3.604 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.834 3.066 -3.620 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.845 5.965 -4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.534 7.592 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.221 2.503 -1.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 2.991 7.355 -0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.819 3.284 0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.201 5.617 0.784 1.00 0.00 H new ATOM 308 N SER A 19 5.358 0.781 -5.867 1.00 0.00 N ATOM 309 CA SER A 19 5.621 -0.567 -6.342 1.00 0.00 C ATOM 310 C SER A 19 5.919 -0.545 -7.843 1.00 0.00 C ATOM 311 O SER A 19 6.550 -1.460 -8.368 1.00 0.00 O ATOM 312 CB SER A 19 4.439 -1.494 -6.050 1.00 0.00 C ATOM 313 OG SER A 19 4.289 -1.743 -4.655 1.00 0.00 O ATOM 0 H SER A 19 4.467 0.897 -5.384 1.00 0.00 H new ATOM 0 HA SER A 19 6.491 -0.953 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.524 -1.048 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.581 -2.439 -6.574 1.00 0.00 H new ATOM 0 HG SER A 19 3.734 -1.041 -4.255 1.00 0.00 H new ATOM 319 N ASP A 20 5.450 0.512 -8.491 1.00 0.00 N ATOM 320 CA ASP A 20 5.659 0.666 -9.920 1.00 0.00 C ATOM 321 C ASP A 20 7.113 1.066 -10.179 1.00 0.00 C ATOM 322 O ASP A 20 7.764 0.514 -11.064 1.00 0.00 O ATOM 323 CB ASP A 20 4.758 1.762 -10.494 1.00 0.00 C ATOM 324 CG ASP A 20 3.542 1.257 -11.273 1.00 0.00 C ATOM 325 OD1 ASP A 20 2.459 1.055 -10.704 1.00 0.00 O ATOM 326 OD2 ASP A 20 3.743 1.066 -12.533 1.00 0.00 O ATOM 0 H ASP A 20 4.926 1.269 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 20 5.422 -0.284 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.410 2.391 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.355 2.395 -11.151 1.00 0.00 H new ATOM 332 N VAL A 21 7.580 2.024 -9.390 1.00 0.00 N ATOM 333 CA VAL A 21 8.944 2.505 -9.524 1.00 0.00 C ATOM 334 C VAL A 21 9.914 1.381 -9.155 1.00 0.00 C ATOM 335 O VAL A 21 11.065 1.381 -9.590 1.00 0.00 O ATOM 336 CB VAL A 21 9.139 3.765 -8.677 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.597 4.227 -8.711 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.199 4.883 -9.132 1.00 0.00 C ATOM 0 H VAL A 21 7.037 2.479 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 21 9.151 2.788 -10.556 1.00 0.00 H new ATOM 0 HB VAL A 21 8.889 3.517 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.709 5.124 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.238 3.438 -8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.885 4.449 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.358 5.766 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.403 5.128 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.165 4.552 -9.033 1.00 0.00 H new ATOM 348 N GLY A 22 9.414 0.448 -8.357 1.00 0.00 N ATOM 349 CA GLY A 22 10.222 -0.679 -7.926 1.00 0.00 C ATOM 350 C GLY A 22 9.979 -1.901 -8.815 1.00 0.00 C ATOM 351 O GLY A 22 9.829 -3.015 -8.317 1.00 0.00 O ATOM 0 H GLY A 22 8.459 0.450 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.277 -0.407 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.986 -0.925 -6.891 1.00 0.00 H new ATOM 355 N LEU A 23 9.948 -1.648 -10.116 1.00 0.00 N ATOM 356 CA LEU A 23 9.726 -2.713 -11.079 1.00 0.00 C ATOM 357 C LEU A 23 10.789 -2.631 -12.177 1.00 0.00 C ATOM 358 O LEU A 23 11.541 -3.580 -12.391 1.00 0.00 O ATOM 359 CB LEU A 23 8.292 -2.668 -11.606 1.00 0.00 C ATOM 360 CG LEU A 23 7.704 -4.003 -12.069 1.00 0.00 C ATOM 361 CD1 LEU A 23 8.526 -4.595 -13.217 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.570 -4.978 -10.898 1.00 0.00 C ATOM 0 H LEU A 23 10.073 -0.722 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 23 9.834 -3.687 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.651 -2.264 -10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.255 -1.968 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 23 6.700 -3.820 -12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.087 -5.543 -13.527 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.527 -3.903 -14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.550 -4.761 -12.883 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.150 -5.919 -11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.552 -5.161 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.912 -4.550 -10.142 1.00 0.00 H new ATOM 374 N CYS A 24 10.814 -1.488 -12.846 1.00 0.00 N ATOM 375 CA CYS A 24 11.771 -1.268 -13.917 1.00 0.00 C ATOM 376 C CYS A 24 12.888 -0.366 -13.387 1.00 0.00 C ATOM 377 O CYS A 24 12.932 0.823 -13.703 1.00 0.00 O ATOM 378 CB CYS A 24 11.103 -0.679 -15.161 1.00 0.00 C ATOM 379 SG CYS A 24 10.170 0.830 -14.715 1.00 0.00 S ATOM 0 H CYS A 24 10.187 -0.704 -12.667 1.00 0.00 H new ATOM 0 HA CYS A 24 12.195 -2.222 -14.230 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.857 -0.442 -15.911 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.432 -1.414 -15.606 1.00 0.00 H new ATOM 0 HG CYS A 24 10.931 1.621 -14.019 1.00 0.00 H new ATOM 385 N LYS A 25 13.761 -0.965 -12.592 1.00 0.00 N ATOM 386 CA LYS A 25 14.874 -0.229 -12.015 1.00 0.00 C ATOM 387 C LYS A 25 15.510 -1.064 -10.902 1.00 0.00 C ATOM 388 O LYS A 25 16.713 -0.976 -10.664 1.00 0.00 O ATOM 389 CB LYS A 25 14.422 1.160 -11.561 1.00 0.00 C ATOM 390 CG LYS A 25 15.008 2.250 -12.460 1.00 0.00 C ATOM 391 CD LYS A 25 15.308 3.519 -11.660 1.00 0.00 C ATOM 392 CE LYS A 25 16.551 4.227 -12.201 1.00 0.00 C ATOM 393 NZ LYS A 25 16.172 5.478 -12.896 1.00 0.00 N ATOM 0 H LYS A 25 13.721 -1.951 -12.333 1.00 0.00 H new ATOM 0 HA LYS A 25 15.646 -0.057 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.334 1.216 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.733 1.328 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.923 1.887 -12.929 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.308 2.479 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.452 4.193 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.458 3.265 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.235 4.451 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.082 3.568 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.027 5.947 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.537 5.256 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.685 6.111 -12.230 1.00 0.00 H new ATOM 406 N LYS A 26 14.671 -1.855 -10.247 1.00 0.00 N ATOM 407 CA LYS A 26 15.136 -2.704 -9.164 1.00 0.00 C ATOM 408 C LYS A 26 15.893 -3.898 -9.748 1.00 0.00 C ATOM 409 O LYS A 26 16.714 -4.510 -9.066 1.00 0.00 O ATOM 410 CB LYS A 26 13.969 -3.101 -8.256 1.00 0.00 C ATOM 411 CG LYS A 26 14.305 -2.838 -6.787 1.00 0.00 C ATOM 412 CD LYS A 26 13.208 -3.380 -5.868 1.00 0.00 C ATOM 413 CE LYS A 26 13.748 -4.495 -4.969 1.00 0.00 C ATOM 414 NZ LYS A 26 12.647 -5.372 -4.513 1.00 0.00 N ATOM 0 H LYS A 26 13.673 -1.925 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 26 15.836 -2.162 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.078 -2.539 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.737 -4.157 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.257 -3.307 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.425 -1.767 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.811 -2.572 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.381 -3.760 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.487 -5.083 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.256 -4.062 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.031 -6.123 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.956 -4.811 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.180 -5.800 -5.338 1.00 0.00 H new ATOM 427 N ARG A 27 15.591 -4.194 -11.004 1.00 0.00 N ATOM 428 CA ARG A 27 16.235 -5.304 -11.686 1.00 0.00 C ATOM 429 C ARG A 27 15.906 -6.622 -10.982 1.00 0.00 C ATOM 430 O ARG A 27 15.669 -6.643 -9.775 1.00 0.00 O ATOM 431 CB ARG A 27 17.753 -5.120 -11.729 1.00 0.00 C ATOM 432 CG ARG A 27 18.165 -4.238 -12.908 1.00 0.00 C ATOM 433 CD ARG A 27 19.450 -3.468 -12.594 1.00 0.00 C ATOM 434 NE ARG A 27 19.122 -2.092 -12.157 1.00 0.00 N ATOM 435 CZ ARG A 27 20.034 -1.108 -12.009 1.00 0.00 C ATOM 436 NH1 ARG A 27 21.340 -1.339 -12.264 1.00 0.00 N ATOM 437 NH2 ARG A 27 19.630 0.084 -11.613 1.00 0.00 N ATOM 0 H ARG A 27 14.909 -3.685 -11.567 1.00 0.00 H new ATOM 0 HA ARG A 27 15.856 -5.330 -12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.095 -4.670 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.239 -6.092 -11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.314 -4.855 -13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.364 -3.536 -13.139 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.010 -3.982 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.089 -3.436 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 27 18.146 -1.874 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.644 -2.263 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.022 -0.590 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.642 0.251 -11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.306 0.839 -11.496 1.00 0.00 H new ATOM 450 N PRO A 28 15.904 -7.718 -11.786 1.00 0.00 N ATOM 451 CA PRO A 28 15.610 -9.038 -11.253 1.00 0.00 C ATOM 452 C PRO A 28 16.795 -9.584 -10.454 1.00 0.00 C ATOM 453 O PRO A 28 17.886 -9.015 -10.489 1.00 0.00 O ATOM 454 CB PRO A 28 15.271 -9.886 -12.467 1.00 0.00 C ATOM 455 CG PRO A 28 15.836 -9.143 -13.667 1.00 0.00 C ATOM 456 CD PRO A 28 16.181 -7.732 -13.220 1.00 0.00 C ATOM 0 HA PRO A 28 14.781 -9.030 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.708 -10.881 -12.383 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.193 -10.019 -12.562 1.00 0.00 H new ATOM 0 HG2 PRO A 28 16.722 -9.650 -14.048 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.109 -9.119 -14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.226 -7.497 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 28 15.579 -6.992 -13.747 1.00 0.00 H new ATOM 464 N LYS A 29 16.541 -10.679 -9.754 1.00 0.00 N ATOM 465 CA LYS A 29 17.574 -11.308 -8.949 1.00 0.00 C ATOM 466 C LYS A 29 18.511 -12.104 -9.859 1.00 0.00 C ATOM 467 O LYS A 29 19.720 -11.874 -9.864 1.00 0.00 O ATOM 468 CB LYS A 29 16.946 -12.144 -7.830 1.00 0.00 C ATOM 469 CG LYS A 29 17.448 -11.689 -6.458 1.00 0.00 C ATOM 470 CD LYS A 29 17.298 -12.803 -5.421 1.00 0.00 C ATOM 471 CE LYS A 29 17.306 -12.236 -4.000 1.00 0.00 C ATOM 472 NZ LYS A 29 16.010 -11.590 -3.693 1.00 0.00 N ATOM 0 H LYS A 29 15.635 -11.147 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 29 18.181 -10.552 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.860 -12.056 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.187 -13.197 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.495 -11.393 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.890 -10.810 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.368 -13.344 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.110 -13.521 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.499 -13.035 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.114 -11.512 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.939 -11.423 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.947 -10.682 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.232 -12.210 -3.997 1.00 0.00 H new ATOM 485 N PRO A 30 17.903 -13.047 -10.626 1.00 0.00 N ATOM 486 CA PRO A 30 18.670 -13.877 -11.538 1.00 0.00 C ATOM 487 C PRO A 30 19.089 -13.087 -12.779 1.00 0.00 C ATOM 488 O PRO A 30 18.710 -11.928 -12.939 1.00 0.00 O ATOM 489 CB PRO A 30 17.760 -15.052 -11.861 1.00 0.00 C ATOM 490 CG PRO A 30 16.355 -14.604 -11.491 1.00 0.00 C ATOM 491 CD PRO A 30 16.475 -13.346 -10.647 1.00 0.00 C ATOM 0 HA PRO A 30 19.607 -14.224 -11.103 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.821 -15.315 -12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 30 18.049 -15.938 -11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.768 -14.407 -12.388 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.838 -15.388 -10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.905 -12.524 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 30 16.089 -13.507 -9.640 1.00 0.00 H new TER 499 PRO A 30