USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 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 Set 1.1: A 20 ASN : amide:sc= -0.178 K(o=-0.18,f=-6.3!) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.499 K(o=1.4,f=-8.3!) USER MOD Set 2.2: A 15 THR OG1 : rot 86:sc= 0.861 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=-0.01) USER MOD Single : A 24 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.813 -2.680 3.286 1.00 0.00 N ATOM 2 CA LYS A 1 -10.607 -1.809 3.316 1.00 0.00 C ATOM 3 C LYS A 1 -9.906 -1.761 1.954 1.00 0.00 C ATOM 4 O LYS A 1 -9.991 -0.748 1.257 1.00 0.00 O ATOM 5 CB LYS A 1 -9.644 -2.191 4.467 1.00 0.00 C ATOM 6 CG LYS A 1 -8.382 -1.305 4.526 1.00 0.00 C ATOM 7 CD LYS A 1 -7.353 -1.852 5.526 1.00 0.00 C ATOM 8 CE LYS A 1 -6.039 -1.059 5.478 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.194 0.311 6.038 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.260 -2.687 4.225 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.488 -2.314 2.584 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.535 -3.648 3.028 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.947 -0.795 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.176 -2.118 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.343 -3.232 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.932 -1.246 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.662 -0.290 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.767 -1.810 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.154 -2.901 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.272 -1.595 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.693 -0.992 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.284 0.812 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.908 0.832 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.499 0.248 7.030 1.00 0.00 H new ATOM 25 N LEU A 2 -9.168 -2.817 1.595 1.00 0.00 N ATOM 26 CA LEU A 2 -8.279 -2.885 0.428 1.00 0.00 C ATOM 27 C LEU A 2 -8.980 -3.545 -0.787 1.00 0.00 C ATOM 28 O LEU A 2 -9.795 -4.451 -0.572 1.00 0.00 O ATOM 29 CB LEU A 2 -7.013 -3.634 0.890 1.00 0.00 C ATOM 30 CG LEU A 2 -5.771 -3.507 -0.003 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.214 -2.082 0.001 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.668 -4.416 0.538 1.00 0.00 C ATOM 0 H LEU A 2 -9.173 -3.684 2.132 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.008 -1.891 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.753 -3.279 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.259 -4.692 0.983 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.069 -3.781 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.336 -2.033 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.974 -1.393 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.935 -1.803 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.783 -4.330 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.418 -4.118 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.015 -5.449 0.537 1.00 0.00 H new ATOM 44 N PRO A 3 -8.710 -3.138 -2.048 1.00 0.00 N ATOM 45 CA PRO A 3 -9.389 -3.700 -3.221 1.00 0.00 C ATOM 46 C PRO A 3 -9.010 -5.170 -3.506 1.00 0.00 C ATOM 47 O PRO A 3 -7.965 -5.636 -3.036 1.00 0.00 O ATOM 48 CB PRO A 3 -9.020 -2.803 -4.411 1.00 0.00 C ATOM 49 CG PRO A 3 -8.424 -1.548 -3.782 1.00 0.00 C ATOM 50 CD PRO A 3 -7.848 -2.044 -2.462 1.00 0.00 C ATOM 0 HA PRO A 3 -10.464 -3.718 -3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.303 -3.294 -5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.896 -2.565 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.653 -1.110 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.182 -0.780 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.819 -2.381 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.837 -1.250 -1.716 1.00 0.00 H new ATOM 58 N PRO A 4 -9.803 -5.901 -4.317 1.00 0.00 N ATOM 59 CA PRO A 4 -9.503 -7.278 -4.716 1.00 0.00 C ATOM 60 C PRO A 4 -8.115 -7.440 -5.358 1.00 0.00 C ATOM 61 O PRO A 4 -7.670 -6.599 -6.144 1.00 0.00 O ATOM 62 CB PRO A 4 -10.621 -7.688 -5.682 1.00 0.00 C ATOM 63 CG PRO A 4 -11.791 -6.804 -5.255 1.00 0.00 C ATOM 64 CD PRO A 4 -11.097 -5.502 -4.855 1.00 0.00 C ATOM 0 HA PRO A 4 -9.467 -7.922 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.341 -7.512 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.863 -8.747 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.501 -6.652 -6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.346 -7.239 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.978 -4.841 -5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.680 -4.958 -4.112 1.00 0.00 H new ATOM 72 N GLY A 5 -7.428 -8.534 -5.020 1.00 0.00 N ATOM 73 CA GLY A 5 -6.089 -8.882 -5.515 1.00 0.00 C ATOM 74 C GLY A 5 -4.918 -8.143 -4.850 1.00 0.00 C ATOM 75 O GLY A 5 -3.804 -8.669 -4.852 1.00 0.00 O ATOM 0 H GLY A 5 -7.800 -9.228 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.940 -9.954 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.056 -8.686 -6.587 1.00 0.00 H new ATOM 79 N TRP A 6 -5.135 -6.971 -4.245 1.00 0.00 N ATOM 80 CA TRP A 6 -4.097 -6.223 -3.519 1.00 0.00 C ATOM 81 C TRP A 6 -3.804 -6.757 -2.107 1.00 0.00 C ATOM 82 O TRP A 6 -4.677 -7.308 -1.431 1.00 0.00 O ATOM 83 CB TRP A 6 -4.413 -4.722 -3.496 1.00 0.00 C ATOM 84 CG TRP A 6 -4.325 -4.021 -4.817 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.350 -3.896 -5.688 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.138 -3.579 -5.551 1.00 0.00 C ATOM 87 NE1 TRP A 6 -4.910 -3.308 -6.857 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.546 -3.114 -6.839 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.758 -3.506 -5.254 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.639 -2.610 -7.782 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.837 -2.992 -6.192 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.274 -2.550 -7.454 1.00 0.00 C ATOM 0 H TRP A 6 -6.044 -6.508 -4.244 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.176 -6.380 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.419 -4.587 -3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.729 -4.236 -2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.366 -4.210 -5.498 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.517 -3.050 -7.635 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.402 -3.849 -4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.985 -2.272 -8.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.212 -2.938 -5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.562 -2.165 -8.169 1.00 0.00 H new ATOM 103 N GLU A 7 -2.574 -6.542 -1.642 1.00 0.00 N ATOM 104 CA GLU A 7 -2.074 -6.860 -0.301 1.00 0.00 C ATOM 105 C GLU A 7 -1.040 -5.799 0.128 1.00 0.00 C ATOM 106 O GLU A 7 -0.244 -5.336 -0.696 1.00 0.00 O ATOM 107 CB GLU A 7 -1.438 -8.263 -0.326 1.00 0.00 C ATOM 108 CG GLU A 7 -1.199 -8.835 1.081 1.00 0.00 C ATOM 109 CD GLU A 7 -0.283 -10.077 1.103 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.347 -10.850 2.091 1.00 0.00 O ATOM 111 OE2 GLU A 7 0.531 -10.281 0.169 1.00 0.00 O ATOM 0 H GLU A 7 -1.855 -6.115 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.892 -6.854 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.085 -8.940 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.489 -8.217 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.759 -8.060 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.160 -9.096 1.525 1.00 0.00 H new ATOM 118 N LYS A 8 -1.017 -5.416 1.412 1.00 0.00 N ATOM 119 CA LYS A 8 0.057 -4.575 1.973 1.00 0.00 C ATOM 120 C LYS A 8 1.390 -5.321 2.089 1.00 0.00 C ATOM 121 O LYS A 8 1.425 -6.511 2.412 1.00 0.00 O ATOM 122 CB LYS A 8 -0.349 -3.971 3.326 1.00 0.00 C ATOM 123 CG LYS A 8 -1.264 -2.766 3.091 1.00 0.00 C ATOM 124 CD LYS A 8 -1.762 -2.107 4.382 1.00 0.00 C ATOM 125 CE LYS A 8 -0.631 -1.307 5.043 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.064 -0.693 6.326 1.00 0.00 N ATOM 0 H LYS A 8 -1.735 -5.676 2.089 1.00 0.00 H new ATOM 0 HA LYS A 8 0.207 -3.760 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.862 -4.719 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.538 -3.665 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.728 -2.024 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.124 -3.084 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.602 -1.448 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.127 -2.869 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.221 -1.963 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.293 -0.526 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.272 -0.162 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.860 -0.047 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.363 -1.440 6.985 1.00 0.00 H new ATOM 140 N ARG A 9 2.483 -4.589 1.873 1.00 0.00 N ATOM 141 CA ARG A 9 3.888 -5.032 1.976 1.00 0.00 C ATOM 142 C ARG A 9 4.771 -3.976 2.638 1.00 0.00 C ATOM 143 O ARG A 9 4.354 -2.842 2.877 1.00 0.00 O ATOM 144 CB ARG A 9 4.456 -5.380 0.584 1.00 0.00 C ATOM 145 CG ARG A 9 3.789 -6.547 -0.144 1.00 0.00 C ATOM 146 CD ARG A 9 3.918 -7.883 0.603 1.00 0.00 C ATOM 147 NE ARG A 9 3.175 -8.967 -0.068 1.00 0.00 N ATOM 148 CZ ARG A 9 3.652 -9.914 -0.851 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.873 -9.916 -1.308 1.00 0.00 N ATOM 150 NH2 ARG A 9 2.873 -10.897 -1.179 1.00 0.00 N ATOM 0 H ARG A 9 2.415 -3.607 1.604 1.00 0.00 H new ATOM 0 HA ARG A 9 3.894 -5.924 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.382 -4.495 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.517 -5.606 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.733 -6.320 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.232 -6.649 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.970 -8.157 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.547 -7.766 1.621 1.00 0.00 H new ATOM 0 HE ARG A 9 2.168 -8.986 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.511 -9.159 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.191 -10.675 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.914 -10.925 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.219 -11.642 -1.784 1.00 0.00 H new ATOM 164 N MET A 10 6.013 -4.366 2.906 1.00 0.00 N ATOM 165 CA MET A 10 7.031 -3.507 3.526 1.00 0.00 C ATOM 166 C MET A 10 8.463 -3.948 3.170 1.00 0.00 C ATOM 167 O MET A 10 8.798 -5.133 3.228 1.00 0.00 O ATOM 168 CB MET A 10 6.821 -3.476 5.053 1.00 0.00 C ATOM 169 CG MET A 10 7.691 -2.428 5.763 1.00 0.00 C ATOM 170 SD MET A 10 7.722 -2.555 7.575 1.00 0.00 S ATOM 171 CE MET A 10 6.037 -2.029 7.995 1.00 0.00 C ATOM 0 H MET A 10 6.352 -5.305 2.697 1.00 0.00 H new ATOM 0 HA MET A 10 6.912 -2.500 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.772 -3.271 5.265 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.043 -4.461 5.464 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.712 -2.513 5.390 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.333 -1.435 5.490 1.00 0.00 H new ATOM 0 HE1 MET A 10 5.884 -2.124 9.070 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.896 -0.990 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.318 -2.657 7.469 1.00 0.00 H new ATOM 181 N PHE A 11 9.310 -2.977 2.821 1.00 0.00 N ATOM 182 CA PHE A 11 10.756 -3.122 2.636 1.00 0.00 C ATOM 183 C PHE A 11 11.573 -3.399 3.910 1.00 0.00 C ATOM 184 O PHE A 11 11.156 -3.031 5.011 1.00 0.00 O ATOM 185 CB PHE A 11 11.312 -1.913 1.862 1.00 0.00 C ATOM 186 CG PHE A 11 10.984 -1.884 0.381 1.00 0.00 C ATOM 187 CD1 PHE A 11 9.979 -1.025 -0.104 1.00 0.00 C ATOM 188 CD2 PHE A 11 11.703 -2.694 -0.519 1.00 0.00 C ATOM 189 CE1 PHE A 11 9.694 -0.975 -1.480 1.00 0.00 C ATOM 190 CE2 PHE A 11 11.415 -2.646 -1.897 1.00 0.00 C ATOM 191 CZ PHE A 11 10.410 -1.788 -2.377 1.00 0.00 C ATOM 0 H PHE A 11 8.991 -2.023 2.652 1.00 0.00 H new ATOM 0 HA PHE A 11 10.879 -4.034 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.928 -1.002 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.396 -1.896 1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.425 -0.403 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.476 -3.353 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.925 -0.312 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.967 -3.269 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.188 -1.753 -3.433 1.00 0.00 H new ATOM 201 N ALA A 12 12.777 -3.962 3.771 1.00 0.00 N ATOM 202 CA ALA A 12 13.700 -4.193 4.892 1.00 0.00 C ATOM 203 C ALA A 12 14.139 -2.896 5.617 1.00 0.00 C ATOM 204 O ALA A 12 14.532 -2.940 6.786 1.00 0.00 O ATOM 205 CB ALA A 12 14.910 -4.965 4.353 1.00 0.00 C ATOM 0 H ALA A 12 13.144 -4.273 2.872 1.00 0.00 H new ATOM 0 HA ALA A 12 13.176 -4.771 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.614 -5.151 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.578 -5.915 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.399 -4.378 3.576 1.00 0.00 H new ATOM 211 N ASN A 13 14.046 -1.739 4.946 1.00 0.00 N ATOM 212 CA ASN A 13 14.319 -0.409 5.510 1.00 0.00 C ATOM 213 C ASN A 13 13.136 0.205 6.308 1.00 0.00 C ATOM 214 O ASN A 13 13.283 1.292 6.873 1.00 0.00 O ATOM 215 CB ASN A 13 14.805 0.517 4.371 1.00 0.00 C ATOM 216 CG ASN A 13 13.752 0.849 3.320 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.557 0.680 3.547 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.180 1.382 2.183 1.00 0.00 N ATOM 0 H ASN A 13 13.770 -1.702 3.965 1.00 0.00 H new ATOM 0 HA ASN A 13 15.102 -0.520 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.167 1.448 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.655 0.046 3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.510 1.664 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.179 1.510 2.024 1.00 0.00 H new ATOM 224 N GLY A 14 11.968 -0.454 6.348 1.00 0.00 N ATOM 225 CA GLY A 14 10.756 0.023 7.032 1.00 0.00 C ATOM 226 C GLY A 14 9.783 0.860 6.181 1.00 0.00 C ATOM 227 O GLY A 14 8.913 1.530 6.741 1.00 0.00 O ATOM 0 H GLY A 14 11.837 -1.358 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.217 -0.842 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.060 0.619 7.892 1.00 0.00 H new ATOM 231 N THR A 15 9.891 0.828 4.847 1.00 0.00 N ATOM 232 CA THR A 15 9.025 1.578 3.912 1.00 0.00 C ATOM 233 C THR A 15 7.869 0.694 3.443 1.00 0.00 C ATOM 234 O THR A 15 8.094 -0.430 3.000 1.00 0.00 O ATOM 235 CB THR A 15 9.843 2.022 2.686 1.00 0.00 C ATOM 236 OG1 THR A 15 10.892 2.873 3.094 1.00 0.00 O ATOM 237 CG2 THR A 15 9.045 2.747 1.608 1.00 0.00 C ATOM 0 H THR A 15 10.598 0.268 4.371 1.00 0.00 H new ATOM 0 HA THR A 15 8.629 2.452 4.429 1.00 0.00 H new ATOM 0 HB THR A 15 10.208 1.096 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.669 2.334 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.707 3.019 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.257 2.092 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.600 3.648 2.029 1.00 0.00 H new ATOM 245 N VAL A 16 6.632 1.196 3.496 1.00 0.00 N ATOM 246 CA VAL A 16 5.406 0.428 3.201 1.00 0.00 C ATOM 247 C VAL A 16 5.006 0.634 1.736 1.00 0.00 C ATOM 248 O VAL A 16 5.148 1.731 1.188 1.00 0.00 O ATOM 249 CB VAL A 16 4.272 0.875 4.150 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.889 0.312 3.795 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.588 0.441 5.587 1.00 0.00 C ATOM 0 H VAL A 16 6.445 2.166 3.750 1.00 0.00 H new ATOM 0 HA VAL A 16 5.591 -0.634 3.361 1.00 0.00 H new ATOM 0 HB VAL A 16 4.227 1.959 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.153 0.676 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.610 0.637 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.920 -0.777 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.783 0.760 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.682 -0.644 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.524 0.898 5.908 1.00 0.00 H new ATOM 261 N TYR A 17 4.491 -0.423 1.103 1.00 0.00 N ATOM 262 CA TYR A 17 3.983 -0.412 -0.274 1.00 0.00 C ATOM 263 C TYR A 17 2.839 -1.430 -0.441 1.00 0.00 C ATOM 264 O TYR A 17 2.424 -2.093 0.513 1.00 0.00 O ATOM 265 CB TYR A 17 5.136 -0.687 -1.261 1.00 0.00 C ATOM 266 CG TYR A 17 5.787 -2.062 -1.208 1.00 0.00 C ATOM 267 CD1 TYR A 17 5.405 -3.064 -2.126 1.00 0.00 C ATOM 268 CD2 TYR A 17 6.839 -2.311 -0.305 1.00 0.00 C ATOM 269 CE1 TYR A 17 6.103 -4.286 -2.181 1.00 0.00 C ATOM 270 CE2 TYR A 17 7.535 -3.535 -0.352 1.00 0.00 C ATOM 271 CZ TYR A 17 7.181 -4.518 -1.298 1.00 0.00 C ATOM 272 OH TYR A 17 7.864 -5.693 -1.342 1.00 0.00 O ATOM 0 H TYR A 17 4.413 -1.338 1.547 1.00 0.00 H new ATOM 0 HA TYR A 17 3.574 0.574 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.759 -0.531 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.911 0.060 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.571 -2.892 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.112 -1.563 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.815 -5.043 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.343 -3.721 0.340 1.00 0.00 H new ATOM 0 HH TYR A 17 8.574 -5.684 -0.667 1.00 0.00 H new ATOM 282 N TYR A 18 2.319 -1.544 -1.662 1.00 0.00 N ATOM 283 CA TYR A 18 1.202 -2.403 -2.043 1.00 0.00 C ATOM 284 C TYR A 18 1.567 -3.351 -3.190 1.00 0.00 C ATOM 285 O TYR A 18 2.271 -2.962 -4.125 1.00 0.00 O ATOM 286 CB TYR A 18 -0.020 -1.536 -2.375 1.00 0.00 C ATOM 287 CG TYR A 18 -0.516 -0.727 -1.192 1.00 0.00 C ATOM 288 CD1 TYR A 18 -1.511 -1.252 -0.347 1.00 0.00 C ATOM 289 CD2 TYR A 18 0.035 0.543 -0.926 1.00 0.00 C ATOM 290 CE1 TYR A 18 -1.963 -0.503 0.756 1.00 0.00 C ATOM 291 CE2 TYR A 18 -0.378 1.270 0.206 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.375 0.746 1.053 1.00 0.00 C ATOM 293 OH TYR A 18 -1.780 1.452 2.143 1.00 0.00 O ATOM 0 H TYR A 18 2.685 -1.012 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 18 0.953 -3.045 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.234 -0.858 -3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.826 -2.177 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.928 -2.229 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.776 0.959 -1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.761 -0.884 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.069 2.229 0.425 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.271 2.288 2.199 1.00 0.00 H new ATOM 303 N PHE A 19 1.081 -4.590 -3.129 1.00 0.00 N ATOM 304 CA PHE A 19 1.339 -5.656 -4.099 1.00 0.00 C ATOM 305 C PHE A 19 0.090 -6.398 -4.577 1.00 0.00 C ATOM 306 O PHE A 19 -0.714 -6.837 -3.754 1.00 0.00 O ATOM 307 CB PHE A 19 2.445 -6.585 -3.583 1.00 0.00 C ATOM 308 CG PHE A 19 2.617 -7.892 -4.333 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.420 -7.927 -5.489 1.00 0.00 C ATOM 310 CD2 PHE A 19 2.015 -9.079 -3.868 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.627 -9.136 -6.174 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.244 -10.293 -4.540 1.00 0.00 C ATOM 313 CZ PHE A 19 3.043 -10.323 -5.697 1.00 0.00 C ATOM 0 H PHE A 19 0.470 -4.892 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 19 1.699 -5.175 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.391 -6.044 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.242 -6.813 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.879 -7.019 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.378 -9.056 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.235 -9.154 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.805 -11.206 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.208 -11.255 -6.218 1.00 0.00 H new ATOM 323 N ASN A 20 -0.091 -6.544 -5.887 1.00 0.00 N ATOM 324 CA ASN A 20 -1.194 -7.296 -6.472 1.00 0.00 C ATOM 325 C ASN A 20 -0.751 -8.753 -6.675 1.00 0.00 C ATOM 326 O ASN A 20 0.061 -9.045 -7.553 1.00 0.00 O ATOM 327 CB ASN A 20 -1.628 -6.604 -7.772 1.00 0.00 C ATOM 328 CG ASN A 20 -2.906 -7.196 -8.337 1.00 0.00 C ATOM 329 OD1 ASN A 20 -3.143 -8.396 -8.306 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.754 -6.382 -8.921 1.00 0.00 N ATOM 0 H ASN A 20 0.535 -6.136 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.063 -7.317 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.774 -5.540 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.832 -6.691 -8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.605 -6.751 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.562 -5.381 -8.950 1.00 0.00 H new ATOM 337 N HIS A 21 -1.280 -9.679 -5.873 1.00 0.00 N ATOM 338 CA HIS A 21 -0.865 -11.089 -5.905 1.00 0.00 C ATOM 339 C HIS A 21 -1.349 -11.832 -7.163 1.00 0.00 C ATOM 340 O HIS A 21 -0.741 -12.831 -7.561 1.00 0.00 O ATOM 341 CB HIS A 21 -1.291 -11.782 -4.595 1.00 0.00 C ATOM 342 CG HIS A 21 -2.575 -12.581 -4.682 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.680 -13.938 -5.006 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.829 -12.074 -4.529 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.999 -14.210 -5.036 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.710 -13.111 -4.739 1.00 0.00 N ATOM 0 H HIS A 21 -2.005 -9.477 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 21 0.222 -11.123 -5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.488 -12.446 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.404 -11.023 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.084 -11.053 -4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.424 -15.176 -5.266 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.727 -13.054 -4.679 1.00 0.00 H new ATOM 354 N ILE A 22 -2.403 -11.332 -7.817 1.00 0.00 N ATOM 355 CA ILE A 22 -3.010 -11.938 -9.009 1.00 0.00 C ATOM 356 C ILE A 22 -2.198 -11.597 -10.273 1.00 0.00 C ATOM 357 O ILE A 22 -1.988 -12.451 -11.138 1.00 0.00 O ATOM 358 CB ILE A 22 -4.486 -11.479 -9.135 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.250 -11.870 -7.845 1.00 0.00 C ATOM 360 CG2 ILE A 22 -5.146 -12.097 -10.379 1.00 0.00 C ATOM 361 CD1 ILE A 22 -6.760 -11.617 -7.836 1.00 0.00 C ATOM 0 H ILE A 22 -2.870 -10.473 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.997 -13.023 -8.904 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.520 -10.396 -9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.082 -12.931 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.809 -11.325 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.181 -11.761 -10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.604 -11.785 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.122 -13.184 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.176 -11.933 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.952 -10.554 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.229 -12.184 -8.640 1.00 0.00 H new ATOM 373 N THR A 23 -1.720 -10.352 -10.364 1.00 0.00 N ATOM 374 CA THR A 23 -1.033 -9.765 -11.536 1.00 0.00 C ATOM 375 C THR A 23 0.475 -9.532 -11.386 1.00 0.00 C ATOM 376 O THR A 23 1.130 -9.110 -12.340 1.00 0.00 O ATOM 377 CB THR A 23 -1.735 -8.475 -11.992 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.385 -7.419 -11.128 1.00 0.00 O ATOM 379 CG2 THR A 23 -3.261 -8.542 -11.997 1.00 0.00 C ATOM 0 H THR A 23 -1.801 -9.690 -9.592 1.00 0.00 H new ATOM 0 HA THR A 23 -1.114 -10.534 -12.304 1.00 0.00 H new ATOM 0 HB THR A 23 -1.402 -8.324 -13.019 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.831 -6.596 -11.419 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.666 -7.587 -12.332 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.588 -9.332 -12.672 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.619 -8.754 -10.990 1.00 0.00 H new ATOM 387 N ASN A 24 1.018 -9.779 -10.191 1.00 0.00 N ATOM 388 CA ASN A 24 2.373 -9.455 -9.719 1.00 0.00 C ATOM 389 C ASN A 24 2.793 -7.966 -9.832 1.00 0.00 C ATOM 390 O ASN A 24 3.971 -7.643 -9.645 1.00 0.00 O ATOM 391 CB ASN A 24 3.421 -10.486 -10.197 1.00 0.00 C ATOM 392 CG ASN A 24 3.690 -10.491 -11.695 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.285 -9.577 -12.253 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.344 -11.557 -12.385 1.00 0.00 N ATOM 0 H ASN A 24 0.478 -10.250 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 24 2.331 -9.567 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.359 -10.294 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.089 -11.481 -9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.571 -11.618 -13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.848 -12.322 -11.927 1.00 0.00 H new ATOM 401 N ALA A 25 1.851 -7.047 -10.087 1.00 0.00 N ATOM 402 CA ALA A 25 2.098 -5.602 -10.039 1.00 0.00 C ATOM 403 C ALA A 25 2.394 -5.101 -8.606 1.00 0.00 C ATOM 404 O ALA A 25 2.009 -5.731 -7.619 1.00 0.00 O ATOM 405 CB ALA A 25 0.893 -4.874 -10.652 1.00 0.00 C ATOM 0 H ALA A 25 0.891 -7.288 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 25 2.993 -5.382 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.064 -3.798 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.763 -5.192 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.005 -5.114 -10.083 1.00 0.00 H new ATOM 411 N SER A 26 3.050 -3.944 -8.477 1.00 0.00 N ATOM 412 CA SER A 26 3.308 -3.281 -7.186 1.00 0.00 C ATOM 413 C SER A 26 3.405 -1.756 -7.308 1.00 0.00 C ATOM 414 O SER A 26 3.795 -1.228 -8.355 1.00 0.00 O ATOM 415 CB SER A 26 4.555 -3.851 -6.494 1.00 0.00 C ATOM 416 OG SER A 26 5.720 -3.694 -7.288 1.00 0.00 O ATOM 0 H SER A 26 3.424 -3.431 -9.275 1.00 0.00 H new ATOM 0 HA SER A 26 2.441 -3.496 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.699 -3.351 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.400 -4.909 -6.282 1.00 0.00 H new ATOM 0 HG SER A 26 6.492 -4.067 -6.813 1.00 0.00 H new ATOM 422 N GLN A 27 3.025 -1.043 -6.242 1.00 0.00 N ATOM 423 CA GLN A 27 3.009 0.424 -6.182 1.00 0.00 C ATOM 424 C GLN A 27 3.141 0.943 -4.737 1.00 0.00 C ATOM 425 O GLN A 27 2.705 0.289 -3.791 1.00 0.00 O ATOM 426 CB GLN A 27 1.729 0.950 -6.863 1.00 0.00 C ATOM 427 CG GLN A 27 0.419 0.628 -6.123 1.00 0.00 C ATOM 428 CD GLN A 27 -0.803 1.150 -6.879 1.00 0.00 C ATOM 429 OE1 GLN A 27 -1.011 0.888 -8.058 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.660 1.914 -6.238 1.00 0.00 N ATOM 0 H GLN A 27 2.712 -1.480 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 27 3.877 0.804 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.811 2.032 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.673 0.533 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.332 -0.450 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.446 1.070 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.504 2.143 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.481 2.277 -6.722 1.00 0.00 H new ATOM 439 N PHE A 28 3.723 2.131 -4.557 1.00 0.00 N ATOM 440 CA PHE A 28 3.823 2.801 -3.252 1.00 0.00 C ATOM 441 C PHE A 28 2.542 3.450 -2.703 1.00 0.00 C ATOM 442 O PHE A 28 2.231 3.341 -1.515 1.00 0.00 O ATOM 443 CB PHE A 28 5.067 3.708 -3.216 1.00 0.00 C ATOM 444 CG PHE A 28 5.087 4.746 -2.107 1.00 0.00 C ATOM 445 CD1 PHE A 28 5.665 4.439 -0.861 1.00 0.00 C ATOM 446 CD2 PHE A 28 4.520 6.019 -2.319 1.00 0.00 C ATOM 447 CE1 PHE A 28 5.674 5.396 0.170 1.00 0.00 C ATOM 448 CE2 PHE A 28 4.526 6.975 -1.287 1.00 0.00 C ATOM 449 CZ PHE A 28 5.104 6.665 -0.043 1.00 0.00 C ATOM 0 H PHE A 28 4.143 2.663 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 28 3.957 2.002 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.951 3.079 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.148 4.223 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.103 3.466 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.080 6.261 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.118 5.157 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.086 7.948 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.110 7.400 0.748 1.00 0.00 H new ATOM 459 N GLU A 29 1.779 4.111 -3.578 1.00 0.00 N ATOM 460 CA GLU A 29 0.525 4.794 -3.233 1.00 0.00 C ATOM 461 C GLU A 29 -0.628 3.802 -2.974 1.00 0.00 C ATOM 462 O GLU A 29 -0.785 2.813 -3.692 1.00 0.00 O ATOM 463 CB GLU A 29 0.189 5.810 -4.339 1.00 0.00 C ATOM 464 CG GLU A 29 -1.102 6.604 -4.075 1.00 0.00 C ATOM 465 CD GLU A 29 -1.361 7.738 -5.093 1.00 0.00 C ATOM 466 OE1 GLU A 29 -0.536 7.981 -6.009 1.00 0.00 O ATOM 467 OE2 GLU A 29 -2.414 8.412 -4.975 1.00 0.00 O ATOM 0 H GLU A 29 2.019 4.189 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 29 0.659 5.330 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.020 6.508 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.094 5.283 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.948 5.917 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.055 7.032 -3.074 1.00 0.00 H new ATOM 474 N ARG A 30 -1.462 4.081 -1.964 1.00 0.00 N ATOM 475 CA ARG A 30 -2.596 3.239 -1.542 1.00 0.00 C ATOM 476 C ARG A 30 -3.646 3.047 -2.664 1.00 0.00 C ATOM 477 O ARG A 30 -4.264 4.038 -3.067 1.00 0.00 O ATOM 478 CB ARG A 30 -3.157 3.845 -0.237 1.00 0.00 C ATOM 479 CG ARG A 30 -4.535 3.369 0.248 1.00 0.00 C ATOM 480 CD ARG A 30 -4.721 1.852 0.392 1.00 0.00 C ATOM 481 NE ARG A 30 -6.011 1.437 -0.187 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.153 1.191 0.422 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.188 0.874 -0.294 1.00 0.00 N ATOM 484 NH2 ARG A 30 -7.306 1.254 1.713 1.00 0.00 N ATOM 0 H ARG A 30 -1.366 4.924 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.266 2.220 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.438 3.649 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.204 4.926 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.735 3.831 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.289 3.741 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.905 1.330 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.680 1.572 1.445 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.021 1.325 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.108 0.819 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.081 0.680 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.517 1.505 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.215 1.053 2.129 1.00 0.00 H new ATOM 498 N PRO A 31 -3.875 1.815 -3.175 1.00 0.00 N ATOM 499 CA PRO A 31 -4.818 1.547 -4.268 1.00 0.00 C ATOM 500 C PRO A 31 -6.280 1.793 -3.861 1.00 0.00 C ATOM 501 O PRO A 31 -6.777 1.213 -2.892 1.00 0.00 O ATOM 502 CB PRO A 31 -4.574 0.087 -4.682 1.00 0.00 C ATOM 503 CG PRO A 31 -3.986 -0.554 -3.426 1.00 0.00 C ATOM 504 CD PRO A 31 -3.164 0.585 -2.841 1.00 0.00 C ATOM 0 HA PRO A 31 -4.649 2.230 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.499 -0.403 -4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.886 0.020 -5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.762 -0.891 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.370 -1.422 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.061 0.476 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.157 0.592 -3.258 1.00 0.00 H new