USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=4 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 76:sc= 0.452 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 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.169 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 -18.856 8.290 -8.651 1.00 0.00 N ATOM 2 CA MET A 1 -17.416 8.340 -8.471 1.00 0.00 C ATOM 3 C MET A 1 -16.886 7.017 -7.912 1.00 0.00 C ATOM 4 O MET A 1 -16.160 6.296 -8.594 1.00 0.00 O ATOM 5 CB MET A 1 -17.059 9.478 -7.513 1.00 0.00 C ATOM 6 CG MET A 1 -15.599 9.903 -7.686 1.00 0.00 C ATOM 7 SD MET A 1 -15.418 10.877 -9.171 1.00 0.00 S ATOM 8 CE MET A 1 -14.114 9.967 -9.981 1.00 0.00 C ATOM 0 H1 MET A 1 -19.190 9.199 -9.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.096 7.527 -9.316 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.314 8.108 -7.735 1.00 0.00 H new ATOM 0 HA MET A 1 -16.954 8.513 -9.443 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.714 10.330 -7.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.229 9.159 -6.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.275 10.481 -6.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.959 9.022 -7.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.875 10.443 -10.932 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.228 9.958 -9.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.442 8.943 -10.160 1.00 0.00 H new ATOM 18 N VAL A 2 -17.271 6.738 -6.675 1.00 0.00 N ATOM 19 CA VAL A 2 -16.846 5.516 -6.017 1.00 0.00 C ATOM 20 C VAL A 2 -18.055 4.846 -5.361 1.00 0.00 C ATOM 21 O VAL A 2 -19.120 5.452 -5.250 1.00 0.00 O ATOM 22 CB VAL A 2 -15.721 5.819 -5.025 1.00 0.00 C ATOM 23 CG1 VAL A 2 -14.890 4.567 -4.737 1.00 0.00 C ATOM 24 CG2 VAL A 2 -14.835 6.959 -5.533 1.00 0.00 C ATOM 0 H VAL A 2 -17.873 7.338 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.440 4.813 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.178 6.140 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.098 4.811 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.531 3.795 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.448 4.202 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.043 7.155 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.392 6.678 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.438 7.858 -5.663 1.00 0.00 H new ATOM 34 N LYS A 3 -17.851 3.605 -4.943 1.00 0.00 N ATOM 35 CA LYS A 3 -18.911 2.847 -4.302 1.00 0.00 C ATOM 36 C LYS A 3 -18.603 2.709 -2.810 1.00 0.00 C ATOM 37 O LYS A 3 -19.479 2.358 -2.021 1.00 0.00 O ATOM 38 CB LYS A 3 -19.120 1.510 -5.013 1.00 0.00 C ATOM 39 CG LYS A 3 -20.607 1.163 -5.106 1.00 0.00 C ATOM 40 CD LYS A 3 -20.884 -0.224 -4.521 1.00 0.00 C ATOM 41 CE LYS A 3 -21.399 -0.120 -3.084 1.00 0.00 C ATOM 42 NZ LYS A 3 -22.879 -0.091 -3.065 1.00 0.00 N ATOM 0 H LYS A 3 -16.966 3.106 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.860 3.376 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.691 1.556 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.592 0.722 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -21.193 1.911 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.927 1.193 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.618 -0.743 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.972 -0.820 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.038 -0.967 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.006 0.782 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.212 -0.020 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -23.217 0.731 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -23.249 -0.963 -3.494 1.00 0.00 H new ATOM 55 N SER A 4 -17.355 2.993 -2.468 1.00 0.00 N ATOM 56 CA SER A 4 -16.920 2.905 -1.083 1.00 0.00 C ATOM 57 C SER A 4 -15.395 2.792 -1.020 1.00 0.00 C ATOM 58 O SER A 4 -14.780 3.192 -0.033 1.00 0.00 O ATOM 59 CB SER A 4 -17.569 1.713 -0.377 1.00 0.00 C ATOM 60 OG SER A 4 -18.608 2.120 0.510 1.00 0.00 O ATOM 0 H SER A 4 -16.631 3.284 -3.125 1.00 0.00 H new ATOM 0 HA SER A 4 -17.233 3.813 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.975 1.028 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.810 1.165 0.181 1.00 0.00 H new ATOM 0 HG SER A 4 -19.404 2.362 -0.008 1.00 0.00 H new ATOM 66 N LYS A 5 -14.829 2.248 -2.088 1.00 0.00 N ATOM 67 CA LYS A 5 -13.388 2.079 -2.166 1.00 0.00 C ATOM 68 C LYS A 5 -12.747 3.396 -2.606 1.00 0.00 C ATOM 69 O LYS A 5 -11.990 3.430 -3.574 1.00 0.00 O ATOM 70 CB LYS A 5 -13.036 0.893 -3.067 1.00 0.00 C ATOM 71 CG LYS A 5 -12.578 -0.308 -2.238 1.00 0.00 C ATOM 72 CD LYS A 5 -12.462 -1.562 -3.107 1.00 0.00 C ATOM 73 CE LYS A 5 -13.410 -2.659 -2.616 1.00 0.00 C ATOM 74 NZ LYS A 5 -13.734 -3.593 -3.716 1.00 0.00 N ATOM 0 H LYS A 5 -15.342 1.919 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.979 1.837 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.904 0.616 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.248 1.181 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.614 -0.090 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.285 -0.487 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.693 -1.314 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.436 -1.928 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.950 -3.204 -1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.325 -2.211 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.378 -4.331 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.193 -3.072 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.860 -4.034 -4.066 1.00 0.00 H new ATOM 87 N ILE A 6 -13.075 4.451 -1.873 1.00 0.00 N ATOM 88 CA ILE A 6 -12.541 5.768 -2.175 1.00 0.00 C ATOM 89 C ILE A 6 -11.067 5.821 -1.769 1.00 0.00 C ATOM 90 O ILE A 6 -10.204 5.306 -2.478 1.00 0.00 O ATOM 91 CB ILE A 6 -13.398 6.857 -1.525 1.00 0.00 C ATOM 92 CG1 ILE A 6 -14.839 6.797 -2.037 1.00 0.00 C ATOM 93 CG2 ILE A 6 -12.774 8.239 -1.727 1.00 0.00 C ATOM 94 CD1 ILE A 6 -15.823 7.251 -0.957 1.00 0.00 C ATOM 0 H ILE A 6 -13.704 4.420 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.584 5.959 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.430 6.673 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.943 7.430 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -15.077 5.779 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.403 8.994 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.782 8.260 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.692 8.449 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.840 7.199 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -15.734 6.601 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -15.597 8.277 -0.667 1.00 0.00 H new ATOM 106 N GLY A 7 -10.823 6.450 -0.628 1.00 0.00 N ATOM 107 CA GLY A 7 -9.469 6.578 -0.118 1.00 0.00 C ATOM 108 C GLY A 7 -8.746 5.229 -0.139 1.00 0.00 C ATOM 109 O GLY A 7 -7.531 5.175 -0.327 1.00 0.00 O ATOM 0 H GLY A 7 -11.541 6.877 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.917 7.300 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.495 6.965 0.901 1.00 0.00 H new ATOM 113 N SER A 8 -9.522 4.174 0.055 1.00 0.00 N ATOM 114 CA SER A 8 -8.971 2.829 0.060 1.00 0.00 C ATOM 115 C SER A 8 -8.348 2.514 -1.301 1.00 0.00 C ATOM 116 O SER A 8 -7.482 1.648 -1.406 1.00 0.00 O ATOM 117 CB SER A 8 -10.045 1.795 0.404 1.00 0.00 C ATOM 118 OG SER A 8 -9.751 1.105 1.616 1.00 0.00 O ATOM 0 H SER A 8 -10.529 4.223 0.210 1.00 0.00 H new ATOM 0 HA SER A 8 -8.198 2.779 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.011 2.292 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.131 1.076 -0.411 1.00 0.00 H new ATOM 0 HG SER A 8 -10.460 0.455 1.803 1.00 0.00 H new ATOM 124 N TRP A 9 -8.815 3.234 -2.312 1.00 0.00 N ATOM 125 CA TRP A 9 -8.315 3.041 -3.662 1.00 0.00 C ATOM 126 C TRP A 9 -7.081 3.928 -3.839 1.00 0.00 C ATOM 127 O TRP A 9 -6.092 3.508 -4.440 1.00 0.00 O ATOM 128 CB TRP A 9 -9.407 3.323 -4.697 1.00 0.00 C ATOM 129 CG TRP A 9 -8.871 3.708 -6.077 1.00 0.00 C ATOM 130 CD1 TRP A 9 -8.812 4.928 -6.628 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.319 2.813 -7.065 1.00 0.00 C ATOM 132 NE1 TRP A 9 -8.263 4.886 -7.893 1.00 0.00 N ATOM 133 CE2 TRP A 9 -7.954 3.559 -8.168 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.134 1.420 -7.029 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.382 2.999 -9.316 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.560 0.875 -8.184 1.00 0.00 C ATOM 137 CH2 TRP A 9 -7.188 1.612 -9.302 1.00 0.00 C ATOM 0 H TRP A 9 -9.534 3.952 -2.222 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.024 2.003 -3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.036 2.438 -4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.044 4.127 -4.328 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.152 5.831 -6.143 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.112 5.682 -8.512 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.413 0.817 -6.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.105 3.604 -10.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.395 -0.192 -8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.751 1.117 -10.157 1.00 0.00 H new ATOM 148 N ILE A 10 -7.178 5.136 -3.305 1.00 0.00 N ATOM 149 CA ILE A 10 -6.081 6.086 -3.397 1.00 0.00 C ATOM 150 C ILE A 10 -4.852 5.507 -2.693 1.00 0.00 C ATOM 151 O ILE A 10 -3.719 5.787 -3.083 1.00 0.00 O ATOM 152 CB ILE A 10 -6.509 7.453 -2.861 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.252 8.254 -3.934 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.312 8.221 -2.299 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.269 8.976 -4.856 1.00 0.00 C ATOM 0 H ILE A 10 -7.999 5.480 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.806 6.250 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.205 7.295 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.883 7.586 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.912 8.980 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.644 9.189 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.864 7.651 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.573 8.370 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.822 9.538 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.656 9.661 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.627 8.245 -5.347 1.00 0.00 H new ATOM 167 N LEU A 11 -5.116 4.710 -1.668 1.00 0.00 N ATOM 168 CA LEU A 11 -4.046 4.089 -0.906 1.00 0.00 C ATOM 169 C LEU A 11 -3.336 3.056 -1.782 1.00 0.00 C ATOM 170 O LEU A 11 -2.112 3.077 -1.906 1.00 0.00 O ATOM 171 CB LEU A 11 -4.584 3.518 0.406 1.00 0.00 C ATOM 172 CG LEU A 11 -4.081 4.189 1.686 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.570 4.007 1.844 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.489 5.663 1.728 1.00 0.00 C ATOM 0 H LEU A 11 -6.056 4.480 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.301 4.831 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.672 3.583 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.329 2.459 0.450 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.554 3.699 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.239 4.493 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.335 2.944 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.059 4.454 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.119 6.117 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.063 6.183 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.576 5.741 1.696 1.00 0.00 H new ATOM 186 N VAL A 12 -4.133 2.174 -2.368 1.00 0.00 N ATOM 187 CA VAL A 12 -3.596 1.134 -3.228 1.00 0.00 C ATOM 188 C VAL A 12 -2.849 1.780 -4.396 1.00 0.00 C ATOM 189 O VAL A 12 -2.026 1.135 -5.044 1.00 0.00 O ATOM 190 CB VAL A 12 -4.719 0.199 -3.680 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.165 -0.961 -4.511 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.518 -0.319 -2.483 1.00 0.00 C ATOM 0 H VAL A 12 -5.148 2.159 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.879 0.520 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.397 0.772 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.984 -1.611 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.661 -0.568 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.455 -1.531 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.310 -0.981 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.856 -0.868 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.959 0.522 -1.948 1.00 0.00 H new ATOM 202 N LEU A 13 -3.162 3.046 -4.629 1.00 0.00 N ATOM 203 CA LEU A 13 -2.530 3.787 -5.709 1.00 0.00 C ATOM 204 C LEU A 13 -1.125 4.210 -5.276 1.00 0.00 C ATOM 205 O LEU A 13 -0.146 3.914 -5.959 1.00 0.00 O ATOM 206 CB LEU A 13 -3.416 4.954 -6.148 1.00 0.00 C ATOM 207 CG LEU A 13 -4.719 4.577 -6.855 1.00 0.00 C ATOM 208 CD1 LEU A 13 -4.954 5.463 -8.081 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.740 3.089 -7.212 1.00 0.00 C ATOM 0 H LEU A 13 -3.845 3.578 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.416 3.155 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.662 5.549 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.837 5.594 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.544 4.754 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.887 5.174 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.014 6.506 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.128 5.341 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.677 2.848 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.905 2.862 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.652 2.495 -6.302 1.00 0.00 H new ATOM 221 N PHE A 14 -1.070 4.896 -4.144 1.00 0.00 N ATOM 222 CA PHE A 14 0.199 5.363 -3.612 1.00 0.00 C ATOM 223 C PHE A 14 1.192 4.208 -3.471 1.00 0.00 C ATOM 224 O PHE A 14 2.388 4.382 -3.702 1.00 0.00 O ATOM 225 CB PHE A 14 -0.085 5.949 -2.227 1.00 0.00 C ATOM 226 CG PHE A 14 -0.995 7.179 -2.247 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.902 8.077 -3.263 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.897 7.372 -1.248 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.746 9.219 -3.281 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.742 8.514 -1.265 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.648 9.414 -2.282 1.00 0.00 C ATOM 0 H PHE A 14 -1.884 5.140 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 14 0.635 6.102 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.544 5.180 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.861 6.217 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.186 7.922 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.971 6.657 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.672 9.933 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.458 8.668 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.290 10.283 -2.296 1.00 0.00 H new ATOM 241 N VAL A 15 0.661 3.055 -3.091 1.00 0.00 N ATOM 242 CA VAL A 15 1.486 1.873 -2.916 1.00 0.00 C ATOM 243 C VAL A 15 1.730 1.220 -4.279 1.00 0.00 C ATOM 244 O VAL A 15 2.719 0.511 -4.463 1.00 0.00 O ATOM 245 CB VAL A 15 0.832 0.924 -1.908 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.625 1.615 -0.560 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.487 0.372 -2.451 1.00 0.00 C ATOM 0 H VAL A 15 -0.331 2.915 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 15 2.459 2.143 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 15 1.507 0.083 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.159 0.919 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.588 1.936 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.020 2.484 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.931 -0.299 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.172 1.196 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.300 -0.175 -3.375 1.00 0.00 H new ATOM 257 N ALA A 16 0.814 1.483 -5.199 1.00 0.00 N ATOM 258 CA ALA A 16 0.919 0.932 -6.539 1.00 0.00 C ATOM 259 C ALA A 16 1.914 1.763 -7.352 1.00 0.00 C ATOM 260 O ALA A 16 2.633 1.227 -8.194 1.00 0.00 O ATOM 261 CB ALA A 16 -0.468 0.889 -7.183 1.00 0.00 C ATOM 0 H ALA A 16 -0.005 2.071 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 16 1.295 -0.091 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.390 0.476 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.128 0.262 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.876 1.898 -7.236 1.00 0.00 H new ATOM 267 N MET A 17 1.923 3.057 -7.070 1.00 0.00 N ATOM 268 CA MET A 17 2.818 3.966 -7.766 1.00 0.00 C ATOM 269 C MET A 17 4.266 3.760 -7.317 1.00 0.00 C ATOM 270 O MET A 17 5.194 3.909 -8.112 1.00 0.00 O ATOM 271 CB MET A 17 2.398 5.411 -7.485 1.00 0.00 C ATOM 272 CG MET A 17 2.762 6.325 -8.656 1.00 0.00 C ATOM 273 SD MET A 17 1.280 6.874 -9.486 1.00 0.00 S ATOM 274 CE MET A 17 1.897 8.349 -10.279 1.00 0.00 C ATOM 0 H MET A 17 1.326 3.498 -6.370 1.00 0.00 H new ATOM 0 HA MET A 17 2.755 3.761 -8.835 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.324 5.453 -7.307 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.886 5.765 -6.577 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.326 7.185 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.405 5.793 -9.357 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.094 8.821 -10.845 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.264 9.043 -9.522 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.711 8.086 -10.954 1.00 0.00 H new ATOM 284 N TRP A 18 4.416 3.421 -6.045 1.00 0.00 N ATOM 285 CA TRP A 18 5.735 3.192 -5.481 1.00 0.00 C ATOM 286 C TRP A 18 6.170 1.774 -5.855 1.00 0.00 C ATOM 287 O TRP A 18 7.363 1.476 -5.892 1.00 0.00 O ATOM 288 CB TRP A 18 5.737 3.440 -3.971 1.00 0.00 C ATOM 289 CG TRP A 18 6.665 2.508 -3.189 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.943 2.204 -3.452 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.331 1.766 -1.997 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.456 1.324 -2.522 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.445 1.049 -1.608 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.129 1.702 -1.271 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.467 0.218 -0.482 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.167 0.867 -0.148 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.280 0.138 0.256 1.00 0.00 C ATOM 0 H TRP A 18 3.645 3.299 -5.389 1.00 0.00 H new ATOM 0 HA TRP A 18 6.457 3.897 -5.892 1.00 0.00 H new ATOM 0 HB2 TRP A 18 6.033 4.472 -3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.721 3.326 -3.593 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.502 2.599 -4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.403 0.945 -2.507 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.246 2.254 -1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.352 -0.332 -0.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.269 0.783 0.446 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.229 -0.487 1.135 1.00 0.00 H new ATOM 308 N SER A 19 5.179 0.937 -6.122 1.00 0.00 N ATOM 309 CA SER A 19 5.444 -0.443 -6.492 1.00 0.00 C ATOM 310 C SER A 19 6.135 -0.496 -7.855 1.00 0.00 C ATOM 311 O SER A 19 6.807 -1.476 -8.178 1.00 0.00 O ATOM 312 CB SER A 19 4.153 -1.263 -6.519 1.00 0.00 C ATOM 313 OG SER A 19 4.200 -2.365 -5.616 1.00 0.00 O ATOM 0 H SER A 19 4.191 1.188 -6.090 1.00 0.00 H new ATOM 0 HA SER A 19 6.103 -0.878 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.310 -0.621 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.978 -1.630 -7.530 1.00 0.00 H new ATOM 0 HG SER A 19 3.357 -2.862 -5.662 1.00 0.00 H new ATOM 319 N ASP A 20 5.948 0.570 -8.620 1.00 0.00 N ATOM 320 CA ASP A 20 6.546 0.657 -9.941 1.00 0.00 C ATOM 321 C ASP A 20 7.847 1.458 -9.857 1.00 0.00 C ATOM 322 O ASP A 20 8.802 1.176 -10.578 1.00 0.00 O ATOM 323 CB ASP A 20 5.614 1.371 -10.921 1.00 0.00 C ATOM 324 CG ASP A 20 5.530 2.889 -10.745 1.00 0.00 C ATOM 325 OD1 ASP A 20 6.529 3.606 -10.908 1.00 0.00 O ATOM 326 OD2 ASP A 20 4.365 3.338 -10.421 1.00 0.00 O ATOM 0 H ASP A 20 5.391 1.380 -8.350 1.00 0.00 H new ATOM 0 HA ASP A 20 6.732 -0.357 -10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.946 1.156 -11.937 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.613 0.952 -10.817 1.00 0.00 H new ATOM 332 N VAL A 21 7.842 2.440 -8.968 1.00 0.00 N ATOM 333 CA VAL A 21 9.010 3.284 -8.779 1.00 0.00 C ATOM 334 C VAL A 21 10.141 2.453 -8.171 1.00 0.00 C ATOM 335 O VAL A 21 11.312 2.808 -8.292 1.00 0.00 O ATOM 336 CB VAL A 21 8.642 4.504 -7.932 1.00 0.00 C ATOM 337 CG1 VAL A 21 9.891 5.146 -7.325 1.00 0.00 C ATOM 338 CG2 VAL A 21 7.847 5.522 -8.753 1.00 0.00 C ATOM 0 H VAL A 21 7.048 2.670 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 21 9.365 3.665 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 21 8.007 4.165 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.602 6.011 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.401 4.421 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.561 5.464 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.598 6.379 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.447 5.853 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.929 5.059 -9.116 1.00 0.00 H new ATOM 348 N GLY A 22 9.751 1.362 -7.528 1.00 0.00 N ATOM 349 CA GLY A 22 10.717 0.478 -6.899 1.00 0.00 C ATOM 350 C GLY A 22 11.942 0.279 -7.795 1.00 0.00 C ATOM 351 O GLY A 22 12.957 0.953 -7.625 1.00 0.00 O ATOM 0 H GLY A 22 8.779 1.070 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.027 0.895 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.253 -0.486 -6.692 1.00 0.00 H new ATOM 355 N LEU A 23 11.807 -0.651 -8.730 1.00 0.00 N ATOM 356 CA LEU A 23 12.888 -0.947 -9.653 1.00 0.00 C ATOM 357 C LEU A 23 13.504 0.363 -10.148 1.00 0.00 C ATOM 358 O LEU A 23 14.697 0.421 -10.444 1.00 0.00 O ATOM 359 CB LEU A 23 12.399 -1.860 -10.779 1.00 0.00 C ATOM 360 CG LEU A 23 11.181 -1.365 -11.561 1.00 0.00 C ATOM 361 CD1 LEU A 23 11.599 -0.776 -12.911 1.00 0.00 C ATOM 362 CD2 LEU A 23 10.141 -2.476 -11.718 1.00 0.00 C ATOM 0 H LEU A 23 10.964 -1.209 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 23 13.679 -1.501 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.220 -2.011 -11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.161 -2.834 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 23 10.712 -0.563 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.715 -0.431 -13.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.275 0.064 -12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.106 -1.540 -13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.286 -2.097 -12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.583 -3.315 -12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.812 -2.808 -10.733 1.00 0.00 H new ATOM 374 N CYS A 24 12.663 1.384 -10.223 1.00 0.00 N ATOM 375 CA CYS A 24 13.109 2.690 -10.677 1.00 0.00 C ATOM 376 C CYS A 24 13.684 3.446 -9.477 1.00 0.00 C ATOM 377 O CYS A 24 13.056 4.371 -8.963 1.00 0.00 O ATOM 378 CB CYS A 24 11.981 3.469 -11.356 1.00 0.00 C ATOM 379 SG CYS A 24 11.711 2.834 -13.049 1.00 0.00 S ATOM 0 H CYS A 24 11.674 1.333 -9.977 1.00 0.00 H new ATOM 0 HA CYS A 24 13.884 2.569 -11.434 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.064 3.378 -10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.231 4.529 -11.392 1.00 0.00 H new ATOM 0 HG CYS A 24 10.750 3.502 -13.615 1.00 0.00 H new ATOM 385 N LYS A 25 14.869 3.024 -9.065 1.00 0.00 N ATOM 386 CA LYS A 25 15.535 3.649 -7.935 1.00 0.00 C ATOM 387 C LYS A 25 16.838 2.902 -7.638 1.00 0.00 C ATOM 388 O LYS A 25 17.836 3.513 -7.262 1.00 0.00 O ATOM 389 CB LYS A 25 14.589 3.735 -6.735 1.00 0.00 C ATOM 390 CG LYS A 25 14.568 5.150 -6.154 1.00 0.00 C ATOM 391 CD LYS A 25 13.327 5.915 -6.618 1.00 0.00 C ATOM 392 CE LYS A 25 13.680 6.919 -7.717 1.00 0.00 C ATOM 393 NZ LYS A 25 13.020 8.219 -7.463 1.00 0.00 N ATOM 0 H LYS A 25 15.386 2.256 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 25 15.804 4.678 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.583 3.448 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.904 3.028 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.583 5.100 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.466 5.686 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.580 5.213 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.881 6.438 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.761 7.055 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.369 6.530 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.270 8.889 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.989 8.087 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.337 8.596 -6.547 1.00 0.00 H new ATOM 406 N LYS A 26 16.784 1.591 -7.819 1.00 0.00 N ATOM 407 CA LYS A 26 17.946 0.753 -7.576 1.00 0.00 C ATOM 408 C LYS A 26 19.004 1.034 -8.645 1.00 0.00 C ATOM 409 O LYS A 26 19.686 2.056 -8.596 1.00 0.00 O ATOM 410 CB LYS A 26 17.538 -0.718 -7.486 1.00 0.00 C ATOM 411 CG LYS A 26 16.854 -1.016 -6.150 1.00 0.00 C ATOM 412 CD LYS A 26 16.323 -2.452 -6.115 1.00 0.00 C ATOM 413 CE LYS A 26 17.444 -3.443 -5.805 1.00 0.00 C ATOM 414 NZ LYS A 26 17.430 -4.562 -6.774 1.00 0.00 N ATOM 0 H LYS A 26 15.953 1.088 -8.131 1.00 0.00 H new ATOM 0 HA LYS A 26 18.394 0.994 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.864 -0.963 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.418 -1.351 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.561 -0.866 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.033 -0.317 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.540 -2.536 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.869 -2.699 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.407 -2.934 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.326 -3.829 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.198 -5.226 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.517 -5.057 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.565 -4.190 -7.736 1.00 0.00 H new ATOM 427 N ARG A 27 19.108 0.107 -9.586 1.00 0.00 N ATOM 428 CA ARG A 27 20.071 0.242 -10.666 1.00 0.00 C ATOM 429 C ARG A 27 20.139 1.694 -11.139 1.00 0.00 C ATOM 430 O ARG A 27 19.183 2.450 -10.972 1.00 0.00 O ATOM 431 CB ARG A 27 19.702 -0.657 -11.848 1.00 0.00 C ATOM 432 CG ARG A 27 20.823 -1.653 -12.152 1.00 0.00 C ATOM 433 CD ARG A 27 21.033 -1.798 -13.660 1.00 0.00 C ATOM 434 NE ARG A 27 22.433 -1.471 -14.011 1.00 0.00 N ATOM 435 CZ ARG A 27 22.825 -1.019 -15.221 1.00 0.00 C ATOM 436 NH1 ARG A 27 21.923 -0.839 -16.210 1.00 0.00 N ATOM 437 NH2 ARG A 27 24.103 -0.757 -15.424 1.00 0.00 N ATOM 0 H ARG A 27 18.541 -0.740 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 27 21.044 -0.063 -10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.782 -1.197 -11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.507 -0.044 -12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.748 -1.319 -11.683 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.579 -2.624 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.800 -2.816 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.351 -1.137 -14.195 1.00 0.00 H new ATOM 0 HE ARG A 27 23.147 -1.595 -13.293 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.938 -1.045 -16.045 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.227 -0.497 -17.122 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.778 -0.897 -14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.415 -0.415 -16.333 1.00 0.00 H new ATOM 450 N PRO A 28 21.307 2.051 -11.736 1.00 0.00 N ATOM 451 CA PRO A 28 21.512 3.401 -12.235 1.00 0.00 C ATOM 452 C PRO A 28 20.738 3.628 -13.536 1.00 0.00 C ATOM 453 O PRO A 28 20.699 2.753 -14.399 1.00 0.00 O ATOM 454 CB PRO A 28 23.016 3.532 -12.408 1.00 0.00 C ATOM 455 CG PRO A 28 23.557 2.112 -12.446 1.00 0.00 C ATOM 456 CD PRO A 28 22.461 1.182 -11.952 1.00 0.00 C ATOM 0 HA PRO A 28 21.135 4.163 -11.553 1.00 0.00 H new ATOM 0 HB2 PRO A 28 23.258 4.067 -13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 28 23.456 4.096 -11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.856 1.845 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.444 2.024 -11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.240 0.406 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.755 0.678 -11.031 1.00 0.00 H new ATOM 464 N LYS A 29 20.141 4.807 -13.634 1.00 0.00 N ATOM 465 CA LYS A 29 19.372 5.160 -14.814 1.00 0.00 C ATOM 466 C LYS A 29 20.199 6.097 -15.696 1.00 0.00 C ATOM 467 O LYS A 29 21.100 6.777 -15.210 1.00 0.00 O ATOM 468 CB LYS A 29 18.010 5.733 -14.414 1.00 0.00 C ATOM 469 CG LYS A 29 18.171 7.069 -13.688 1.00 0.00 C ATOM 470 CD LYS A 29 17.314 8.155 -14.341 1.00 0.00 C ATOM 471 CE LYS A 29 16.940 9.241 -13.331 1.00 0.00 C ATOM 472 NZ LYS A 29 16.537 10.483 -14.029 1.00 0.00 N ATOM 0 H LYS A 29 20.175 5.530 -12.915 1.00 0.00 H new ATOM 0 HA LYS A 29 19.156 4.272 -15.408 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.394 5.870 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.488 5.025 -13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.885 6.955 -12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.218 7.370 -13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.858 8.600 -15.174 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.409 7.710 -14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.124 8.892 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.787 9.444 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.286 11.209 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.326 10.824 -14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.715 10.289 -14.636 1.00 0.00 H new ATOM 485 N PRO A 30 19.853 6.103 -17.011 1.00 0.00 N ATOM 486 CA PRO A 30 20.554 6.946 -17.965 1.00 0.00 C ATOM 487 C PRO A 30 20.136 8.410 -17.813 1.00 0.00 C ATOM 488 O PRO A 30 20.983 9.300 -17.763 1.00 0.00 O ATOM 489 CB PRO A 30 20.209 6.368 -19.328 1.00 0.00 C ATOM 490 CG PRO A 30 18.966 5.519 -19.119 1.00 0.00 C ATOM 491 CD PRO A 30 18.790 5.310 -17.623 1.00 0.00 C ATOM 0 HA PRO A 30 21.633 6.950 -17.810 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.023 7.161 -20.053 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.031 5.767 -19.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 18.091 6.013 -19.541 1.00 0.00 H new ATOM 0 HG3 PRO A 30 19.068 4.561 -19.629 1.00 0.00 H new ATOM 0 HD2 PRO A 30 17.807 5.641 -17.290 1.00 0.00 H new ATOM 0 HD3 PRO A 30 18.878 4.257 -17.357 1.00 0.00 H new TER 499 PRO A 30