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+ 143:sc= -0.243 (180deg=-1.37!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 67:sc= 0.827 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -80:sc= -1.29 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 -85:sc= 0.0463 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 -10.732 -7.538 1.182 1.00 0.00 N ATOM 2 CA MET A 1 -10.068 -6.308 0.787 1.00 0.00 C ATOM 3 C MET A 1 -10.801 -5.086 1.343 1.00 0.00 C ATOM 4 O MET A 1 -11.508 -4.395 0.610 1.00 0.00 O ATOM 5 CB MET A 1 -10.016 -6.223 -0.740 1.00 0.00 C ATOM 6 CG MET A 1 -11.418 -6.332 -1.342 1.00 0.00 C ATOM 7 SD MET A 1 -11.419 -7.521 -2.673 1.00 0.00 S ATOM 8 CE MET A 1 -13.170 -7.843 -2.801 1.00 0.00 C ATOM 0 H1 MET A 1 -10.683 -8.225 0.402 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.261 -7.933 2.021 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.728 -7.339 1.406 1.00 0.00 H new ATOM 0 HA MET A 1 -9.057 -6.317 1.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.560 -5.280 -1.040 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.385 -7.021 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.130 -6.633 -0.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.741 -5.359 -1.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.349 -8.571 -3.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.537 -8.238 -1.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.694 -6.916 -3.035 1.00 0.00 H new ATOM 18 N VAL A 2 -10.608 -4.855 2.633 1.00 0.00 N ATOM 19 CA VAL A 2 -11.243 -3.728 3.295 1.00 0.00 C ATOM 20 C VAL A 2 -12.761 -3.926 3.286 1.00 0.00 C ATOM 21 O VAL A 2 -13.273 -4.796 2.583 1.00 0.00 O ATOM 22 CB VAL A 2 -10.806 -2.420 2.634 1.00 0.00 C ATOM 23 CG1 VAL A 2 -11.310 -1.211 3.427 1.00 0.00 C ATOM 24 CG2 VAL A 2 -9.286 -2.371 2.466 1.00 0.00 C ATOM 0 H VAL A 2 -10.021 -5.429 3.238 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.929 -3.670 4.337 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.253 -2.380 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.986 -0.293 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.399 -1.234 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.904 -1.244 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.002 -1.431 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.809 -2.444 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.962 -3.203 1.841 1.00 0.00 H new ATOM 34 N LYS A 3 -13.436 -3.104 4.075 1.00 0.00 N ATOM 35 CA LYS A 3 -14.885 -3.177 4.167 1.00 0.00 C ATOM 36 C LYS A 3 -15.472 -1.771 4.030 1.00 0.00 C ATOM 37 O LYS A 3 -15.942 -1.193 5.009 1.00 0.00 O ATOM 38 CB LYS A 3 -15.304 -3.897 5.450 1.00 0.00 C ATOM 39 CG LYS A 3 -15.779 -5.320 5.149 1.00 0.00 C ATOM 40 CD LYS A 3 -14.592 -6.268 4.972 1.00 0.00 C ATOM 41 CE LYS A 3 -14.452 -7.203 6.174 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.567 -8.343 5.844 1.00 0.00 N ATOM 0 H LYS A 3 -13.007 -2.384 4.657 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.290 -3.772 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.464 -3.929 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.102 -3.339 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.414 -5.675 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.387 -5.320 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.724 -6.856 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.676 -5.690 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.046 -6.654 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.434 -7.571 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.483 -8.968 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.970 -8.876 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.626 -7.987 5.582 1.00 0.00 H new ATOM 55 N SER A 4 -15.425 -1.261 2.808 1.00 0.00 N ATOM 56 CA SER A 4 -15.947 0.067 2.531 1.00 0.00 C ATOM 57 C SER A 4 -15.370 0.592 1.215 1.00 0.00 C ATOM 58 O SER A 4 -15.998 1.403 0.537 1.00 0.00 O ATOM 59 CB SER A 4 -15.626 1.034 3.674 1.00 0.00 C ATOM 60 OG SER A 4 -16.746 1.234 4.533 1.00 0.00 O ATOM 0 H SER A 4 -15.034 -1.743 1.999 1.00 0.00 H new ATOM 0 HA SER A 4 -17.031 -0.003 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.789 0.645 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.310 1.992 3.261 1.00 0.00 H new ATOM 0 HG SER A 4 -16.946 0.401 5.009 1.00 0.00 H new ATOM 66 N LYS A 5 -14.179 0.107 0.893 1.00 0.00 N ATOM 67 CA LYS A 5 -13.511 0.517 -0.331 1.00 0.00 C ATOM 68 C LYS A 5 -13.624 2.035 -0.485 1.00 0.00 C ATOM 69 O LYS A 5 -14.351 2.523 -1.348 1.00 0.00 O ATOM 70 CB LYS A 5 -14.057 -0.265 -1.527 1.00 0.00 C ATOM 71 CG LYS A 5 -12.925 -0.934 -2.308 1.00 0.00 C ATOM 72 CD LYS A 5 -13.413 -2.211 -2.996 1.00 0.00 C ATOM 73 CE LYS A 5 -12.236 -3.029 -3.533 1.00 0.00 C ATOM 74 NZ LYS A 5 -12.227 -3.013 -5.013 1.00 0.00 N ATOM 0 H LYS A 5 -13.660 -0.565 1.458 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.448 0.280 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.761 -1.022 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.609 0.407 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.534 -0.242 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.103 -1.172 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.986 -2.812 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.085 -1.953 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.299 -2.622 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.306 -4.056 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.422 -3.572 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.114 -3.422 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.138 -2.033 -5.349 1.00 0.00 H new ATOM 87 N ILE A 6 -12.893 2.740 0.367 1.00 0.00 N ATOM 88 CA ILE A 6 -12.901 4.192 0.336 1.00 0.00 C ATOM 89 C ILE A 6 -11.486 4.701 0.062 1.00 0.00 C ATOM 90 O ILE A 6 -11.016 4.660 -1.075 1.00 0.00 O ATOM 91 CB ILE A 6 -13.518 4.752 1.620 1.00 0.00 C ATOM 92 CG1 ILE A 6 -14.964 4.281 1.785 1.00 0.00 C ATOM 93 CG2 ILE A 6 -13.402 6.276 1.665 1.00 0.00 C ATOM 94 CD1 ILE A 6 -15.526 4.702 3.144 1.00 0.00 C ATOM 0 H ILE A 6 -12.292 2.332 1.083 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.532 4.551 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.955 4.362 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.579 4.698 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -15.010 3.196 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.848 6.648 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.351 6.562 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.924 6.706 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.555 4.355 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -14.923 4.263 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -15.501 5.789 3.227 1.00 0.00 H new ATOM 106 N GLY A 7 -10.843 5.169 1.121 1.00 0.00 N ATOM 107 CA GLY A 7 -9.490 5.685 1.009 1.00 0.00 C ATOM 108 C GLY A 7 -8.518 4.587 0.573 1.00 0.00 C ATOM 109 O GLY A 7 -7.516 4.863 -0.085 1.00 0.00 O ATOM 0 H GLY A 7 -11.235 5.202 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.467 6.503 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.173 6.096 1.968 1.00 0.00 H new ATOM 113 N SER A 8 -8.848 3.362 0.959 1.00 0.00 N ATOM 114 CA SER A 8 -8.017 2.221 0.615 1.00 0.00 C ATOM 115 C SER A 8 -7.656 2.263 -0.870 1.00 0.00 C ATOM 116 O SER A 8 -6.647 1.695 -1.284 1.00 0.00 O ATOM 117 CB SER A 8 -8.723 0.905 0.954 1.00 0.00 C ATOM 118 OG SER A 8 -8.907 0.744 2.357 1.00 0.00 O ATOM 0 H SER A 8 -9.679 3.136 1.506 1.00 0.00 H new ATOM 0 HA SER A 8 -7.102 2.274 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.692 0.875 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.139 0.070 0.567 1.00 0.00 H new ATOM 0 HG SER A 8 -8.072 0.429 2.762 1.00 0.00 H new ATOM 124 N TRP A 9 -8.501 2.942 -1.633 1.00 0.00 N ATOM 125 CA TRP A 9 -8.284 3.066 -3.064 1.00 0.00 C ATOM 126 C TRP A 9 -7.047 3.940 -3.281 1.00 0.00 C ATOM 127 O TRP A 9 -5.997 3.444 -3.685 1.00 0.00 O ATOM 128 CB TRP A 9 -9.532 3.612 -3.762 1.00 0.00 C ATOM 129 CG TRP A 9 -10.132 2.658 -4.796 1.00 0.00 C ATOM 130 CD1 TRP A 9 -11.427 2.392 -5.019 1.00 0.00 C ATOM 131 CD2 TRP A 9 -9.406 1.848 -5.745 1.00 0.00 C ATOM 132 NE1 TRP A 9 -11.587 1.474 -6.038 1.00 0.00 N ATOM 133 CE2 TRP A 9 -10.319 1.134 -6.494 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.023 1.724 -5.964 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -9.949 0.245 -7.511 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.669 0.832 -6.983 1.00 0.00 C ATOM 137 CH2 TRP A 9 -8.577 0.106 -7.746 1.00 0.00 C ATOM 0 H TRP A 9 -9.337 3.412 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.103 2.089 -3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.287 3.838 -3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.280 4.552 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.243 2.840 -4.470 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.473 1.112 -6.391 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.291 2.274 -5.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.683 -0.303 -8.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.618 0.698 -7.191 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.224 -0.563 -8.517 1.00 0.00 H new ATOM 148 N ILE A 10 -7.213 5.224 -3.002 1.00 0.00 N ATOM 149 CA ILE A 10 -6.123 6.172 -3.160 1.00 0.00 C ATOM 150 C ILE A 10 -4.823 5.534 -2.666 1.00 0.00 C ATOM 151 O ILE A 10 -3.746 5.833 -3.180 1.00 0.00 O ATOM 152 CB ILE A 10 -6.459 7.496 -2.473 1.00 0.00 C ATOM 153 CG1 ILE A 10 -5.571 8.627 -2.996 1.00 0.00 C ATOM 154 CG2 ILE A 10 -6.377 7.360 -0.951 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.215 9.317 -4.200 1.00 0.00 C ATOM 0 H ILE A 10 -8.086 5.631 -2.667 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.979 6.415 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.489 7.756 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.399 9.356 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.597 8.228 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.620 8.316 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.085 6.602 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.367 7.065 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.564 10.117 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.363 8.591 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.178 9.736 -3.907 1.00 0.00 H new ATOM 167 N LEU A 11 -4.966 4.667 -1.675 1.00 0.00 N ATOM 168 CA LEU A 11 -3.817 3.985 -1.105 1.00 0.00 C ATOM 169 C LEU A 11 -3.245 3.010 -2.136 1.00 0.00 C ATOM 170 O LEU A 11 -2.053 3.047 -2.437 1.00 0.00 O ATOM 171 CB LEU A 11 -4.189 3.325 0.225 1.00 0.00 C ATOM 172 CG LEU A 11 -3.892 4.141 1.484 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.439 4.618 1.498 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.878 5.301 1.632 1.00 0.00 C ATOM 0 H LEU A 11 -5.861 4.421 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.029 4.700 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.254 3.095 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.659 2.376 0.298 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.026 3.493 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.254 5.196 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.773 3.756 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.253 5.243 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.644 5.864 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.801 5.957 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.893 4.909 1.702 1.00 0.00 H new ATOM 186 N VAL A 12 -4.122 2.161 -2.651 1.00 0.00 N ATOM 187 CA VAL A 12 -3.719 1.177 -3.642 1.00 0.00 C ATOM 188 C VAL A 12 -2.925 1.872 -4.750 1.00 0.00 C ATOM 189 O VAL A 12 -2.034 1.272 -5.350 1.00 0.00 O ATOM 190 CB VAL A 12 -4.947 0.430 -4.166 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.674 -0.174 -5.545 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.398 -0.646 -3.177 1.00 0.00 C ATOM 0 H VAL A 12 -5.110 2.134 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.066 0.428 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.758 1.151 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.563 -0.699 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.423 0.621 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.842 -0.875 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.272 -1.162 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.591 -1.363 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.652 -0.181 -2.225 1.00 0.00 H new ATOM 202 N LEU A 13 -3.275 3.128 -4.987 1.00 0.00 N ATOM 203 CA LEU A 13 -2.606 3.911 -6.012 1.00 0.00 C ATOM 204 C LEU A 13 -1.209 4.298 -5.521 1.00 0.00 C ATOM 205 O LEU A 13 -0.214 4.027 -6.192 1.00 0.00 O ATOM 206 CB LEU A 13 -3.468 5.108 -6.420 1.00 0.00 C ATOM 207 CG LEU A 13 -4.802 4.776 -7.092 1.00 0.00 C ATOM 208 CD1 LEU A 13 -4.762 5.112 -8.585 1.00 0.00 C ATOM 209 CD2 LEU A 13 -5.192 3.317 -6.845 1.00 0.00 C ATOM 0 H LEU A 13 -4.013 3.623 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.474 3.319 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.671 5.705 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.888 5.734 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.576 5.398 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.722 4.867 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.561 6.176 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.974 4.533 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.144 3.107 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.423 2.661 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.288 3.142 -5.773 1.00 0.00 H new ATOM 221 N PHE A 14 -1.180 4.926 -4.355 1.00 0.00 N ATOM 222 CA PHE A 14 0.078 5.353 -3.766 1.00 0.00 C ATOM 223 C PHE A 14 1.021 4.164 -3.567 1.00 0.00 C ATOM 224 O PHE A 14 2.232 4.293 -3.739 1.00 0.00 O ATOM 225 CB PHE A 14 -0.250 5.962 -2.402 1.00 0.00 C ATOM 226 CG PHE A 14 -1.131 7.210 -2.474 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.960 8.107 -3.483 1.00 0.00 C ATOM 228 CD2 PHE A 14 -2.086 7.425 -1.529 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.778 9.266 -3.550 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.903 8.583 -1.596 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.733 9.480 -2.605 1.00 0.00 C ATOM 0 H PHE A 14 -2.007 5.150 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 14 0.572 6.069 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.751 5.211 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.681 6.216 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.202 7.937 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.222 6.714 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.642 9.977 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.661 8.753 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.356 10.361 -2.656 1.00 0.00 H new ATOM 241 N VAL A 15 0.431 3.035 -3.207 1.00 0.00 N ATOM 242 CA VAL A 15 1.203 1.824 -2.983 1.00 0.00 C ATOM 243 C VAL A 15 1.449 1.126 -4.322 1.00 0.00 C ATOM 244 O VAL A 15 2.234 0.182 -4.399 1.00 0.00 O ATOM 245 CB VAL A 15 0.491 0.930 -1.965 1.00 0.00 C ATOM 246 CG1 VAL A 15 -0.766 0.302 -2.571 1.00 0.00 C ATOM 247 CG2 VAL A 15 1.436 -0.144 -1.424 1.00 0.00 C ATOM 0 H VAL A 15 -0.574 2.932 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 15 2.177 2.066 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 15 0.181 1.555 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.253 -0.328 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.452 1.090 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.490 -0.303 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.905 -0.766 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.790 -0.765 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.287 0.332 -0.936 1.00 0.00 H new ATOM 257 N ALA A 16 0.765 1.618 -5.344 1.00 0.00 N ATOM 258 CA ALA A 16 0.900 1.053 -6.676 1.00 0.00 C ATOM 259 C ALA A 16 2.009 1.791 -7.428 1.00 0.00 C ATOM 260 O ALA A 16 2.801 1.172 -8.139 1.00 0.00 O ATOM 261 CB ALA A 16 -0.446 1.127 -7.401 1.00 0.00 C ATOM 0 H ALA A 16 0.116 2.402 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 16 1.183 0.002 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.345 0.703 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.192 0.563 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.761 2.168 -7.478 1.00 0.00 H new ATOM 267 N MET A 17 2.032 3.103 -7.246 1.00 0.00 N ATOM 268 CA MET A 17 3.032 3.931 -7.899 1.00 0.00 C ATOM 269 C MET A 17 4.412 3.722 -7.273 1.00 0.00 C ATOM 270 O MET A 17 5.431 3.853 -7.949 1.00 0.00 O ATOM 271 CB MET A 17 2.633 5.403 -7.776 1.00 0.00 C ATOM 272 CG MET A 17 3.255 6.236 -8.899 1.00 0.00 C ATOM 273 SD MET A 17 2.060 7.401 -9.530 1.00 0.00 S ATOM 274 CE MET A 17 1.233 6.376 -10.735 1.00 0.00 C ATOM 0 H MET A 17 1.375 3.613 -6.656 1.00 0.00 H new ATOM 0 HA MET A 17 3.084 3.645 -8.949 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.547 5.493 -7.810 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.955 5.791 -6.810 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.131 6.767 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.596 5.582 -9.702 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.450 6.953 -11.227 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.954 6.035 -11.478 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.790 5.514 -10.237 1.00 0.00 H new ATOM 284 N TRP A 18 4.400 3.400 -5.988 1.00 0.00 N ATOM 285 CA TRP A 18 5.638 3.169 -5.263 1.00 0.00 C ATOM 286 C TRP A 18 6.198 1.814 -5.700 1.00 0.00 C ATOM 287 O TRP A 18 7.385 1.697 -6.001 1.00 0.00 O ATOM 288 CB TRP A 18 5.415 3.265 -3.753 1.00 0.00 C ATOM 289 CG TRP A 18 6.269 2.294 -2.935 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.533 1.912 -3.165 1.00 0.00 C ATOM 291 CD2 TRP A 18 5.869 1.594 -1.738 1.00 0.00 C ATOM 292 NE1 TRP A 18 7.974 1.021 -2.208 1.00 0.00 N ATOM 293 CE2 TRP A 18 6.930 0.821 -1.313 1.00 0.00 C ATOM 294 CE3 TRP A 18 4.650 1.613 -1.038 1.00 0.00 C ATOM 295 CZ2 TRP A 18 6.879 0.009 -0.173 1.00 0.00 C ATOM 296 CZ3 TRP A 18 4.615 0.797 0.099 1.00 0.00 C ATOM 297 CH2 TRP A 18 5.675 0.013 0.540 1.00 0.00 C ATOM 0 H TRP A 18 3.553 3.294 -5.430 1.00 0.00 H new ATOM 0 HA TRP A 18 6.372 3.940 -5.498 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.629 4.283 -3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.363 3.077 -3.539 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.131 2.258 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.897 0.589 -2.165 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.807 2.210 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.723 -0.588 0.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.701 0.775 0.674 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.570 -0.591 1.429 1.00 0.00 H new ATOM 308 N SER A 19 5.317 0.825 -5.722 1.00 0.00 N ATOM 309 CA SER A 19 5.708 -0.517 -6.118 1.00 0.00 C ATOM 310 C SER A 19 6.203 -0.513 -7.565 1.00 0.00 C ATOM 311 O SER A 19 6.945 -1.404 -7.974 1.00 0.00 O ATOM 312 CB SER A 19 4.546 -1.499 -5.955 1.00 0.00 C ATOM 313 OG SER A 19 4.988 -2.780 -5.516 1.00 0.00 O ATOM 0 H SER A 19 4.333 0.926 -5.472 1.00 0.00 H new ATOM 0 HA SER A 19 6.518 -0.844 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.830 -1.097 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.022 -1.602 -6.905 1.00 0.00 H new ATOM 0 HG SER A 19 4.217 -3.378 -5.422 1.00 0.00 H new ATOM 319 N ASP A 20 5.771 0.501 -8.301 1.00 0.00 N ATOM 320 CA ASP A 20 6.161 0.633 -9.694 1.00 0.00 C ATOM 321 C ASP A 20 7.622 1.082 -9.771 1.00 0.00 C ATOM 322 O ASP A 20 8.403 0.537 -10.549 1.00 0.00 O ATOM 323 CB ASP A 20 5.306 1.682 -10.408 1.00 0.00 C ATOM 324 CG ASP A 20 4.260 1.117 -11.372 1.00 0.00 C ATOM 325 OD1 ASP A 20 3.289 0.471 -10.953 1.00 0.00 O ATOM 326 OD2 ASP A 20 4.477 1.366 -12.619 1.00 0.00 O ATOM 0 H ASP A 20 5.155 1.238 -7.959 1.00 0.00 H new ATOM 0 HA ASP A 20 6.022 -0.335 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.797 2.286 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.965 2.350 -10.962 1.00 0.00 H new ATOM 332 N VAL A 21 7.947 2.073 -8.952 1.00 0.00 N ATOM 333 CA VAL A 21 9.300 2.602 -8.918 1.00 0.00 C ATOM 334 C VAL A 21 10.283 1.460 -8.653 1.00 0.00 C ATOM 335 O VAL A 21 11.461 1.559 -8.990 1.00 0.00 O ATOM 336 CB VAL A 21 9.395 3.725 -7.883 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.855 4.097 -7.612 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.591 4.949 -8.326 1.00 0.00 C ATOM 0 H VAL A 21 7.297 2.523 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 21 9.564 3.041 -9.880 1.00 0.00 H new ATOM 0 HB VAL A 21 8.963 3.360 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.895 4.897 -6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.388 3.225 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.322 4.434 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.676 5.732 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.980 5.316 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.544 4.672 -8.446 1.00 0.00 H new ATOM 348 N GLY A 22 9.761 0.401 -8.051 1.00 0.00 N ATOM 349 CA GLY A 22 10.577 -0.760 -7.737 1.00 0.00 C ATOM 350 C GLY A 22 11.174 -1.370 -9.006 1.00 0.00 C ATOM 351 O GLY A 22 12.389 -1.536 -9.109 1.00 0.00 O ATOM 0 H GLY A 22 8.783 0.323 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.378 -0.472 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.972 -1.505 -7.221 1.00 0.00 H new ATOM 355 N LEU A 23 10.292 -1.689 -9.942 1.00 0.00 N ATOM 356 CA LEU A 23 10.716 -2.278 -11.201 1.00 0.00 C ATOM 357 C LEU A 23 10.075 -1.511 -12.360 1.00 0.00 C ATOM 358 O LEU A 23 9.147 -2.004 -12.997 1.00 0.00 O ATOM 359 CB LEU A 23 10.419 -3.779 -11.218 1.00 0.00 C ATOM 360 CG LEU A 23 11.496 -4.682 -10.615 1.00 0.00 C ATOM 361 CD1 LEU A 23 11.556 -4.525 -9.095 1.00 0.00 C ATOM 362 CD2 LEU A 23 11.286 -6.139 -11.033 1.00 0.00 C ATOM 0 H LEU A 23 9.285 -1.551 -9.854 1.00 0.00 H new ATOM 0 HA LEU A 23 11.796 -2.189 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.486 -3.951 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.253 -4.085 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 23 12.463 -4.370 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.330 -5.178 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.788 -3.490 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.592 -4.795 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.065 -6.760 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.310 -6.480 -10.687 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.333 -6.216 -12.119 1.00 0.00 H new ATOM 374 N CYS A 24 10.596 -0.316 -12.597 1.00 0.00 N ATOM 375 CA CYS A 24 10.086 0.524 -13.667 1.00 0.00 C ATOM 376 C CYS A 24 11.069 0.460 -14.838 1.00 0.00 C ATOM 377 O CYS A 24 10.702 0.740 -15.978 1.00 0.00 O ATOM 378 CB CYS A 24 9.852 1.961 -13.196 1.00 0.00 C ATOM 379 SG CYS A 24 11.403 2.656 -12.516 1.00 0.00 S ATOM 0 H CYS A 24 11.366 0.090 -12.066 1.00 0.00 H new ATOM 0 HA CYS A 24 9.113 0.155 -13.990 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.503 2.573 -14.028 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.071 1.981 -12.436 1.00 0.00 H new ATOM 0 HG CYS A 24 11.516 2.323 -11.264 1.00 0.00 H new ATOM 385 N LYS A 25 12.300 0.089 -14.516 1.00 0.00 N ATOM 386 CA LYS A 25 13.338 -0.016 -15.527 1.00 0.00 C ATOM 387 C LYS A 25 14.369 -1.057 -15.086 1.00 0.00 C ATOM 388 O LYS A 25 15.573 -0.810 -15.151 1.00 0.00 O ATOM 389 CB LYS A 25 13.940 1.359 -15.821 1.00 0.00 C ATOM 390 CG LYS A 25 13.800 1.714 -17.303 1.00 0.00 C ATOM 391 CD LYS A 25 15.055 2.420 -17.819 1.00 0.00 C ATOM 392 CE LYS A 25 14.689 3.606 -18.713 1.00 0.00 C ATOM 393 NZ LYS A 25 14.461 3.157 -20.105 1.00 0.00 N ATOM 0 H LYS A 25 12.601 -0.142 -13.569 1.00 0.00 H new ATOM 0 HA LYS A 25 12.917 -0.363 -16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.442 2.115 -15.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.993 1.367 -15.540 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.624 0.808 -17.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.932 2.357 -17.446 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.654 2.766 -16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.669 1.714 -18.378 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.792 4.094 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.489 4.346 -18.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.214 3.975 -20.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.326 2.712 -20.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.683 2.468 -20.124 1.00 0.00 H new ATOM 406 N LYS A 26 13.861 -2.199 -14.648 1.00 0.00 N ATOM 407 CA LYS A 26 14.723 -3.278 -14.198 1.00 0.00 C ATOM 408 C LYS A 26 14.886 -4.300 -15.326 1.00 0.00 C ATOM 409 O LYS A 26 15.816 -5.104 -15.309 1.00 0.00 O ATOM 410 CB LYS A 26 14.191 -3.880 -12.895 1.00 0.00 C ATOM 411 CG LYS A 26 14.945 -3.323 -11.687 1.00 0.00 C ATOM 412 CD LYS A 26 16.281 -4.042 -11.494 1.00 0.00 C ATOM 413 CE LYS A 26 17.455 -3.082 -11.695 1.00 0.00 C ATOM 414 NZ LYS A 26 18.742 -3.805 -11.577 1.00 0.00 N ATOM 0 H LYS A 26 12.863 -2.401 -14.595 1.00 0.00 H new ATOM 0 HA LYS A 26 15.718 -2.899 -13.965 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.128 -3.662 -12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.293 -4.965 -12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.119 -2.256 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.335 -3.435 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.325 -4.472 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.358 -4.869 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.384 -2.612 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.410 -2.283 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.528 -3.139 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.814 -4.233 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.789 -4.551 -12.300 1.00 0.00 H new ATOM 427 N ARG A 27 13.967 -4.234 -16.278 1.00 0.00 N ATOM 428 CA ARG A 27 13.998 -5.143 -17.412 1.00 0.00 C ATOM 429 C ARG A 27 15.409 -5.213 -17.998 1.00 0.00 C ATOM 430 O ARG A 27 15.967 -6.298 -18.154 1.00 0.00 O ATOM 431 CB ARG A 27 13.022 -4.696 -18.502 1.00 0.00 C ATOM 432 CG ARG A 27 12.043 -5.818 -18.854 1.00 0.00 C ATOM 433 CD ARG A 27 11.882 -5.949 -20.370 1.00 0.00 C ATOM 434 NE ARG A 27 10.451 -5.863 -20.736 1.00 0.00 N ATOM 435 CZ ARG A 27 9.918 -6.415 -21.847 1.00 0.00 C ATOM 436 NH1 ARG A 27 10.698 -7.098 -22.712 1.00 0.00 N ATOM 437 NH2 ARG A 27 8.626 -6.277 -22.076 1.00 0.00 N ATOM 0 H ARG A 27 13.197 -3.566 -16.288 1.00 0.00 H new ATOM 0 HA ARG A 27 13.700 -6.129 -17.055 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.470 -3.819 -18.164 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.576 -4.399 -19.392 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.400 -6.761 -18.440 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.074 -5.616 -18.398 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.443 -5.161 -20.873 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.296 -6.899 -20.707 1.00 0.00 H new ATOM 0 HE ARG A 27 9.827 -5.354 -20.109 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.696 -7.199 -22.528 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.289 -7.513 -23.549 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.044 -5.759 -21.418 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.209 -6.688 -22.911 1.00 0.00 H new ATOM 450 N PRO A 28 15.961 -4.011 -18.313 1.00 0.00 N ATOM 451 CA PRO A 28 17.298 -3.926 -18.878 1.00 0.00 C ATOM 452 C PRO A 28 18.362 -4.173 -17.808 1.00 0.00 C ATOM 453 O PRO A 28 18.311 -3.584 -16.729 1.00 0.00 O ATOM 454 CB PRO A 28 17.379 -2.537 -19.489 1.00 0.00 C ATOM 455 CG PRO A 28 16.263 -1.731 -18.841 1.00 0.00 C ATOM 456 CD PRO A 28 15.330 -2.706 -18.141 1.00 0.00 C ATOM 0 HA PRO A 28 17.485 -4.690 -19.633 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.351 -2.082 -19.298 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.254 -2.578 -20.571 1.00 0.00 H new ATOM 0 HG2 PRO A 28 16.673 -1.016 -18.128 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.721 -1.157 -19.592 1.00 0.00 H new ATOM 0 HD2 PRO A 28 15.216 -2.457 -17.086 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.333 -2.687 -18.582 1.00 0.00 H new ATOM 464 N LYS A 29 19.302 -5.044 -18.143 1.00 0.00 N ATOM 465 CA LYS A 29 20.377 -5.376 -17.224 1.00 0.00 C ATOM 466 C LYS A 29 21.598 -5.842 -18.021 1.00 0.00 C ATOM 467 O LYS A 29 21.464 -6.320 -19.147 1.00 0.00 O ATOM 468 CB LYS A 29 19.899 -6.391 -16.184 1.00 0.00 C ATOM 469 CG LYS A 29 19.738 -7.780 -16.805 1.00 0.00 C ATOM 470 CD LYS A 29 18.316 -8.308 -16.605 1.00 0.00 C ATOM 471 CE LYS A 29 18.333 -9.773 -16.163 1.00 0.00 C ATOM 472 NZ LYS A 29 16.974 -10.352 -16.241 1.00 0.00 N ATOM 0 H LYS A 29 19.341 -5.530 -19.039 1.00 0.00 H new ATOM 0 HA LYS A 29 20.681 -4.494 -16.660 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.613 -6.437 -15.361 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.948 -6.065 -15.763 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.967 -7.735 -17.870 1.00 0.00 H new ATOM 0 HG3 LYS A 29 20.452 -8.469 -16.354 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.802 -7.705 -15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.754 -8.211 -17.534 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.014 -10.342 -16.795 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.709 -9.847 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.002 -11.346 -15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.333 -9.819 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.630 -10.299 -17.221 1.00 0.00 H new ATOM 485 N PRO A 30 22.792 -5.682 -17.390 1.00 0.00 N ATOM 486 CA PRO A 30 24.035 -6.081 -18.028 1.00 0.00 C ATOM 487 C PRO A 30 24.193 -7.602 -18.017 1.00 0.00 C ATOM 488 O PRO A 30 23.208 -8.333 -18.103 1.00 0.00 O ATOM 489 CB PRO A 30 25.125 -5.364 -17.248 1.00 0.00 C ATOM 490 CG PRO A 30 24.495 -4.965 -15.923 1.00 0.00 C ATOM 491 CD PRO A 30 22.989 -5.120 -16.058 1.00 0.00 C ATOM 0 HA PRO A 30 24.074 -5.808 -19.083 1.00 0.00 H new ATOM 0 HB2 PRO A 30 25.985 -6.014 -17.091 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.482 -4.488 -17.790 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.873 -5.593 -15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.752 -3.936 -15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.588 -5.778 -15.287 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.481 -4.161 -15.954 1.00 0.00 H new TER 499 PRO A 30