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 13 ASN : amide:sc= 0.575 K(o=1.7,f=-6.1!) USER MOD Set 1.2: A 15 THR OG1 : rot 88:sc= 1.16 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 174:sc=-0.000913 (180deg=-0.0763) 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 20 ASN : amide:sc= -0.313 K(o=-0.31,f=-6.2!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00425 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 11:sc= 0.678 USER MOD Single : A 27 GLN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.876 -2.077 3.035 1.00 0.00 N ATOM 2 CA LYS A 1 -10.720 -1.151 2.890 1.00 0.00 C ATOM 3 C LYS A 1 -10.020 -1.323 1.538 1.00 0.00 C ATOM 4 O LYS A 1 -10.161 -0.467 0.662 1.00 0.00 O ATOM 5 CB LYS A 1 -9.745 -1.250 4.090 1.00 0.00 C ATOM 6 CG LYS A 1 -8.526 -0.313 3.970 1.00 0.00 C ATOM 7 CD LYS A 1 -7.526 -0.547 5.114 1.00 0.00 C ATOM 8 CE LYS A 1 -6.230 0.252 4.921 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.441 1.717 5.074 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.324 -1.931 3.962 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.569 -1.888 2.282 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.545 -3.060 2.962 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.114 -0.135 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.285 -1.015 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.395 -2.278 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.031 -0.477 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.860 0.725 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.987 -0.266 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.290 -1.609 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.488 -0.083 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.824 0.047 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.538 2.214 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.129 2.044 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.803 1.918 6.028 1.00 0.00 H new ATOM 25 N LEU A 2 -9.225 -2.387 1.373 1.00 0.00 N ATOM 26 CA LEU A 2 -8.346 -2.610 0.217 1.00 0.00 C ATOM 27 C LEU A 2 -9.088 -3.311 -0.951 1.00 0.00 C ATOM 28 O LEU A 2 -9.955 -4.149 -0.678 1.00 0.00 O ATOM 29 CB LEU A 2 -7.128 -3.404 0.730 1.00 0.00 C ATOM 30 CG LEU A 2 -5.868 -3.347 -0.145 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.267 -1.940 -0.165 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.797 -4.277 0.419 1.00 0.00 C ATOM 0 H LEU A 2 -9.173 -3.139 2.060 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.013 -1.663 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.873 -3.036 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.421 -4.448 0.842 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.165 -3.644 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.376 -1.934 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.998 -1.238 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.998 -1.645 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.907 -4.230 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.543 -3.967 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.175 -5.299 0.436 1.00 0.00 H new ATOM 44 N PRO A 3 -8.787 -3.009 -2.233 1.00 0.00 N ATOM 45 CA PRO A 3 -9.472 -3.628 -3.373 1.00 0.00 C ATOM 46 C PRO A 3 -9.100 -5.114 -3.563 1.00 0.00 C ATOM 47 O PRO A 3 -8.049 -5.553 -3.077 1.00 0.00 O ATOM 48 CB PRO A 3 -9.086 -2.811 -4.615 1.00 0.00 C ATOM 49 CG PRO A 3 -8.394 -1.566 -4.069 1.00 0.00 C ATOM 50 CD PRO A 3 -7.849 -2.012 -2.718 1.00 0.00 C ATOM 0 HA PRO A 3 -10.548 -3.618 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.422 -3.377 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.965 -2.548 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.596 -1.230 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.091 -0.735 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.847 -2.431 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.776 -1.172 -2.027 1.00 0.00 H new ATOM 58 N PRO A 4 -9.899 -5.893 -4.322 1.00 0.00 N ATOM 59 CA PRO A 4 -9.578 -7.276 -4.677 1.00 0.00 C ATOM 60 C PRO A 4 -8.204 -7.425 -5.353 1.00 0.00 C ATOM 61 O PRO A 4 -7.808 -6.602 -6.183 1.00 0.00 O ATOM 62 CB PRO A 4 -10.712 -7.749 -5.595 1.00 0.00 C ATOM 63 CG PRO A 4 -11.887 -6.864 -5.184 1.00 0.00 C ATOM 64 CD PRO A 4 -11.207 -5.536 -4.857 1.00 0.00 C ATOM 0 HA PRO A 4 -9.504 -7.887 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.459 -7.619 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.934 -8.806 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.616 -6.759 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.418 -7.270 -4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.111 -4.914 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.786 -4.966 -4.131 1.00 0.00 H new ATOM 72 N GLY A 5 -7.475 -8.484 -4.998 1.00 0.00 N ATOM 73 CA GLY A 5 -6.155 -8.824 -5.544 1.00 0.00 C ATOM 74 C GLY A 5 -4.963 -8.014 -5.006 1.00 0.00 C ATOM 75 O GLY A 5 -3.825 -8.459 -5.157 1.00 0.00 O ATOM 0 H GLY A 5 -7.796 -9.153 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.966 -9.880 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.191 -8.701 -6.626 1.00 0.00 H new ATOM 79 N TRP A 6 -5.185 -6.874 -4.342 1.00 0.00 N ATOM 80 CA TRP A 6 -4.139 -6.137 -3.621 1.00 0.00 C ATOM 81 C TRP A 6 -3.900 -6.663 -2.198 1.00 0.00 C ATOM 82 O TRP A 6 -4.825 -7.114 -1.518 1.00 0.00 O ATOM 83 CB TRP A 6 -4.440 -4.634 -3.597 1.00 0.00 C ATOM 84 CG TRP A 6 -4.362 -3.920 -4.912 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.384 -3.829 -5.790 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.190 -3.400 -5.623 1.00 0.00 C ATOM 87 NE1 TRP A 6 -4.967 -3.179 -6.933 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.617 -2.910 -6.895 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.818 -3.254 -5.310 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.738 -2.303 -7.805 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.928 -2.624 -6.209 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.385 -2.155 -7.454 1.00 0.00 C ATOM 0 H TRP A 6 -6.103 -6.433 -4.289 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.215 -6.304 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.441 -4.492 -3.190 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.744 -4.157 -2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.381 -4.209 -5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.581 -2.929 -7.708 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.445 -3.630 -4.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.096 -1.954 -8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.110 -2.502 -5.938 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.697 -1.682 -8.139 1.00 0.00 H new ATOM 103 N GLU A 7 -2.660 -6.548 -1.727 1.00 0.00 N ATOM 104 CA GLU A 7 -2.208 -6.826 -0.362 1.00 0.00 C ATOM 105 C GLU A 7 -1.171 -5.778 0.081 1.00 0.00 C ATOM 106 O GLU A 7 -0.415 -5.254 -0.743 1.00 0.00 O ATOM 107 CB GLU A 7 -1.607 -8.245 -0.282 1.00 0.00 C ATOM 108 CG GLU A 7 -2.624 -9.395 -0.392 1.00 0.00 C ATOM 109 CD GLU A 7 -3.639 -9.473 0.771 1.00 0.00 C ATOM 110 OE1 GLU A 7 -4.590 -10.290 0.680 1.00 0.00 O ATOM 111 OE2 GLU A 7 -3.485 -8.771 1.801 1.00 0.00 O ATOM 0 H GLU A 7 -1.894 -6.239 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.064 -6.770 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.870 -8.356 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.073 -8.343 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.172 -9.289 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.081 -10.338 -0.446 1.00 0.00 H new ATOM 118 N LYS A 8 -1.110 -5.462 1.381 1.00 0.00 N ATOM 119 CA LYS A 8 -0.048 -4.605 1.942 1.00 0.00 C ATOM 120 C LYS A 8 1.304 -5.325 2.012 1.00 0.00 C ATOM 121 O LYS A 8 1.367 -6.534 2.255 1.00 0.00 O ATOM 122 CB LYS A 8 -0.454 -3.995 3.292 1.00 0.00 C ATOM 123 CG LYS A 8 -1.376 -2.798 3.032 1.00 0.00 C ATOM 124 CD LYS A 8 -1.876 -2.096 4.300 1.00 0.00 C ATOM 125 CE LYS A 8 -0.748 -1.285 4.954 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.216 -0.588 6.178 1.00 0.00 N ATOM 0 H LYS A 8 -1.787 -5.788 2.071 1.00 0.00 H new ATOM 0 HA LYS A 8 0.082 -3.774 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.964 -4.739 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.430 -3.678 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.845 -2.073 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.237 -3.137 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.708 -1.437 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.255 -2.836 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.079 -1.949 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.365 -0.554 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.429 -0.050 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.989 0.063 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.559 -1.288 6.867 1.00 0.00 H new ATOM 140 N ARG A 9 2.381 -4.570 1.794 1.00 0.00 N ATOM 141 CA ARG A 9 3.766 -5.056 1.637 1.00 0.00 C ATOM 142 C ARG A 9 4.764 -4.060 2.250 1.00 0.00 C ATOM 143 O ARG A 9 4.405 -2.914 2.532 1.00 0.00 O ATOM 144 CB ARG A 9 3.996 -5.293 0.126 1.00 0.00 C ATOM 145 CG ARG A 9 5.132 -6.257 -0.252 1.00 0.00 C ATOM 146 CD ARG A 9 4.871 -7.705 0.186 1.00 0.00 C ATOM 147 NE ARG A 9 6.006 -8.583 -0.170 1.00 0.00 N ATOM 148 CZ ARG A 9 6.192 -9.246 -1.299 1.00 0.00 C ATOM 149 NH1 ARG A 9 5.360 -9.179 -2.298 1.00 0.00 N ATOM 150 NH2 ARG A 9 7.240 -10.004 -1.447 1.00 0.00 N ATOM 0 H ARG A 9 2.316 -3.555 1.717 1.00 0.00 H new ATOM 0 HA ARG A 9 3.925 -5.992 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.069 -5.672 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.195 -4.330 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.276 -6.232 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.060 -5.909 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.706 -7.738 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.961 -8.073 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 9 6.731 -8.690 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.525 -8.598 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.543 -9.708 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.920 -10.088 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.381 -10.514 -2.319 1.00 0.00 H new ATOM 164 N MET A 10 6.013 -4.473 2.473 1.00 0.00 N ATOM 165 CA MET A 10 7.021 -3.651 3.160 1.00 0.00 C ATOM 166 C MET A 10 8.456 -4.037 2.764 1.00 0.00 C ATOM 167 O MET A 10 8.802 -5.219 2.686 1.00 0.00 O ATOM 168 CB MET A 10 6.819 -3.767 4.685 1.00 0.00 C ATOM 169 CG MET A 10 7.710 -2.818 5.502 1.00 0.00 C ATOM 170 SD MET A 10 7.774 -3.176 7.283 1.00 0.00 S ATOM 171 CE MET A 10 6.106 -2.693 7.805 1.00 0.00 C ATOM 0 H MET A 10 6.358 -5.388 2.183 1.00 0.00 H new ATOM 0 HA MET A 10 6.884 -2.615 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.775 -3.563 4.920 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.020 -4.793 4.992 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.723 -2.858 5.101 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.353 -1.798 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 10 5.962 -2.956 8.853 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.983 -1.617 7.681 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.369 -3.215 7.195 1.00 0.00 H new ATOM 181 N PHE A 11 9.290 -3.023 2.518 1.00 0.00 N ATOM 182 CA PHE A 11 10.730 -3.135 2.274 1.00 0.00 C ATOM 183 C PHE A 11 11.588 -3.543 3.483 1.00 0.00 C ATOM 184 O PHE A 11 11.192 -3.326 4.632 1.00 0.00 O ATOM 185 CB PHE A 11 11.252 -1.850 1.608 1.00 0.00 C ATOM 186 CG PHE A 11 10.840 -1.677 0.158 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.472 -2.426 -0.854 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.834 -0.752 -0.185 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.097 -2.255 -2.199 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.466 -0.575 -1.532 1.00 0.00 C ATOM 191 CZ PHE A 11 10.094 -1.329 -2.538 1.00 0.00 C ATOM 0 H PHE A 11 8.964 -2.057 2.482 1.00 0.00 H new ATOM 0 HA PHE A 11 10.842 -3.980 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.897 -0.991 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.340 -1.843 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.246 -3.133 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.344 -0.178 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.580 -2.835 -2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.700 0.141 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.807 -1.198 -3.571 1.00 0.00 H new ATOM 201 N ALA A 12 12.799 -4.055 3.244 1.00 0.00 N ATOM 202 CA ALA A 12 13.752 -4.418 4.302 1.00 0.00 C ATOM 203 C ALA A 12 14.177 -3.228 5.198 1.00 0.00 C ATOM 204 O ALA A 12 14.579 -3.430 6.347 1.00 0.00 O ATOM 205 CB ALA A 12 14.969 -5.069 3.633 1.00 0.00 C ATOM 0 H ALA A 12 13.150 -4.231 2.303 1.00 0.00 H new ATOM 0 HA ALA A 12 13.259 -5.113 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.696 -5.350 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.652 -5.958 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.425 -4.362 2.940 1.00 0.00 H new ATOM 211 N ASN A 13 14.060 -1.990 4.696 1.00 0.00 N ATOM 212 CA ASN A 13 14.319 -0.750 5.445 1.00 0.00 C ATOM 213 C ASN A 13 13.121 -0.249 6.294 1.00 0.00 C ATOM 214 O ASN A 13 13.246 0.766 6.986 1.00 0.00 O ATOM 215 CB ASN A 13 14.845 0.321 4.465 1.00 0.00 C ATOM 216 CG ASN A 13 13.841 0.799 3.423 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.631 0.737 3.631 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.340 1.330 2.314 1.00 0.00 N ATOM 0 H ASN A 13 13.775 -1.818 3.732 1.00 0.00 H new ATOM 0 HA ASN A 13 15.081 -0.968 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.184 1.182 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.717 -0.080 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.714 1.703 1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.350 1.365 2.175 1.00 0.00 H new ATOM 224 N GLY A 14 11.967 -0.931 6.253 1.00 0.00 N ATOM 225 CA GLY A 14 10.753 -0.571 7.002 1.00 0.00 C ATOM 226 C GLY A 14 9.762 0.353 6.273 1.00 0.00 C ATOM 227 O GLY A 14 8.892 0.937 6.922 1.00 0.00 O ATOM 0 H GLY A 14 11.849 -1.769 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.231 -1.489 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.053 -0.088 7.932 1.00 0.00 H new ATOM 231 N THR A 15 9.855 0.489 4.944 1.00 0.00 N ATOM 232 CA THR A 15 8.977 1.353 4.127 1.00 0.00 C ATOM 233 C THR A 15 7.811 0.536 3.567 1.00 0.00 C ATOM 234 O THR A 15 8.028 -0.515 2.966 1.00 0.00 O ATOM 235 CB THR A 15 9.777 1.959 2.960 1.00 0.00 C ATOM 236 OG1 THR A 15 10.810 2.771 3.467 1.00 0.00 O ATOM 237 CG2 THR A 15 8.943 2.807 2.005 1.00 0.00 C ATOM 0 H THR A 15 10.555 -0.006 4.391 1.00 0.00 H new ATOM 0 HA THR A 15 8.589 2.153 4.758 1.00 0.00 H new ATOM 0 HB THR A 15 10.160 1.110 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.606 2.224 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.581 3.196 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.155 2.194 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.496 3.637 2.552 1.00 0.00 H new ATOM 245 N VAL A 16 6.576 1.019 3.727 1.00 0.00 N ATOM 246 CA VAL A 16 5.341 0.296 3.364 1.00 0.00 C ATOM 247 C VAL A 16 4.889 0.699 1.956 1.00 0.00 C ATOM 248 O VAL A 16 4.991 1.862 1.558 1.00 0.00 O ATOM 249 CB VAL A 16 4.232 0.590 4.399 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.850 0.054 4.007 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.592 -0.034 5.752 1.00 0.00 C ATOM 0 H VAL A 16 6.396 1.943 4.120 1.00 0.00 H new ATOM 0 HA VAL A 16 5.541 -0.775 3.367 1.00 0.00 H new ATOM 0 HB VAL A 16 4.173 1.677 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.129 0.302 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.538 0.507 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.899 -1.029 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.803 0.180 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.697 -1.113 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.532 0.387 6.108 1.00 0.00 H new ATOM 261 N TYR A 17 4.368 -0.276 1.209 1.00 0.00 N ATOM 262 CA TYR A 17 3.807 -0.122 -0.136 1.00 0.00 C ATOM 263 C TYR A 17 2.744 -1.219 -0.365 1.00 0.00 C ATOM 264 O TYR A 17 2.377 -1.962 0.551 1.00 0.00 O ATOM 265 CB TYR A 17 4.953 -0.199 -1.166 1.00 0.00 C ATOM 266 CG TYR A 17 5.641 -1.545 -1.334 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.648 -1.947 -0.435 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.328 -2.359 -2.442 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.361 -3.141 -0.660 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.025 -3.563 -2.659 1.00 0.00 C ATOM 271 CZ TYR A 17 7.060 -3.945 -1.781 1.00 0.00 C ATOM 272 OH TYR A 17 7.767 -5.083 -2.018 1.00 0.00 O ATOM 0 H TYR A 17 4.323 -1.240 1.540 1.00 0.00 H new ATOM 0 HA TYR A 17 3.318 0.845 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.558 0.103 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.709 0.535 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.874 -1.339 0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.550 -2.057 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.139 -3.442 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.767 -4.193 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 17 7.428 -5.515 -2.830 1.00 0.00 H new ATOM 282 N TYR A 18 2.220 -1.305 -1.586 1.00 0.00 N ATOM 283 CA TYR A 18 1.153 -2.219 -1.990 1.00 0.00 C ATOM 284 C TYR A 18 1.578 -3.185 -3.094 1.00 0.00 C ATOM 285 O TYR A 18 2.285 -2.799 -4.027 1.00 0.00 O ATOM 286 CB TYR A 18 -0.096 -1.420 -2.373 1.00 0.00 C ATOM 287 CG TYR A 18 -0.657 -0.631 -1.211 1.00 0.00 C ATOM 288 CD1 TYR A 18 -0.183 0.669 -0.946 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.625 -1.213 -0.375 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.654 1.380 0.173 1.00 0.00 C ATOM 291 CE2 TYR A 18 -2.134 -0.486 0.714 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.640 0.804 1.005 1.00 0.00 C ATOM 293 OH TYR A 18 -2.114 1.482 2.084 1.00 0.00 O ATOM 0 H TYR A 18 2.541 -0.715 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 18 0.916 -2.851 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.148 -0.738 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.859 -2.102 -2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.544 1.121 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.976 -2.216 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.263 2.362 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.908 -0.917 1.332 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.787 0.937 2.543 1.00 0.00 H new ATOM 303 N PHE A 19 1.125 -4.433 -3.003 1.00 0.00 N ATOM 304 CA PHE A 19 1.455 -5.536 -3.902 1.00 0.00 C ATOM 305 C PHE A 19 0.240 -6.291 -4.443 1.00 0.00 C ATOM 306 O PHE A 19 -0.618 -6.706 -3.664 1.00 0.00 O ATOM 307 CB PHE A 19 2.512 -6.439 -3.254 1.00 0.00 C ATOM 308 CG PHE A 19 2.713 -7.801 -3.893 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.514 -7.917 -5.041 1.00 0.00 C ATOM 310 CD2 PHE A 19 2.152 -8.959 -3.316 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.755 -9.176 -5.616 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.415 -10.221 -3.877 1.00 0.00 C ATOM 313 CZ PHE A 19 3.210 -10.331 -5.031 1.00 0.00 C ATOM 0 H PHE A 19 0.485 -4.717 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 19 1.891 -5.105 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.466 -5.912 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.241 -6.588 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.947 -7.033 -5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.521 -8.876 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.359 -9.256 -6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.005 -11.109 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.401 -11.301 -5.467 1.00 0.00 H new ATOM 323 N ASN A 20 0.141 -6.474 -5.758 1.00 0.00 N ATOM 324 CA ASN A 20 -0.945 -7.237 -6.361 1.00 0.00 C ATOM 325 C ASN A 20 -0.515 -8.707 -6.471 1.00 0.00 C ATOM 326 O ASN A 20 0.262 -9.065 -7.357 1.00 0.00 O ATOM 327 CB ASN A 20 -1.312 -6.600 -7.707 1.00 0.00 C ATOM 328 CG ASN A 20 -2.584 -7.198 -8.282 1.00 0.00 C ATOM 329 OD1 ASN A 20 -2.792 -8.403 -8.277 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.459 -6.385 -8.829 1.00 0.00 N ATOM 0 H ASN A 20 0.809 -6.099 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.845 -7.216 -5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.441 -5.525 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.493 -6.741 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.310 -6.759 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.287 -5.380 -8.834 1.00 0.00 H new ATOM 337 N HIS A 21 -1.000 -9.572 -5.575 1.00 0.00 N ATOM 338 CA HIS A 21 -0.567 -10.979 -5.533 1.00 0.00 C ATOM 339 C HIS A 21 -1.150 -11.838 -6.672 1.00 0.00 C ATOM 340 O HIS A 21 -0.662 -12.945 -6.912 1.00 0.00 O ATOM 341 CB HIS A 21 -0.813 -11.575 -4.134 1.00 0.00 C ATOM 342 CG HIS A 21 -2.148 -12.252 -3.933 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.349 -13.629 -3.793 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.360 -11.631 -3.926 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.678 -13.799 -3.677 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.309 -12.613 -3.747 1.00 0.00 N ATOM 0 H HIS A 21 -1.693 -9.326 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 21 0.508 -10.993 -5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.025 -12.298 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.717 -10.777 -3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.542 -10.572 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.169 -14.752 -3.546 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.316 -12.466 -3.679 1.00 0.00 H new ATOM 354 N ILE A 22 -2.144 -11.326 -7.412 1.00 0.00 N ATOM 355 CA ILE A 22 -2.715 -11.978 -8.597 1.00 0.00 C ATOM 356 C ILE A 22 -1.824 -11.757 -9.836 1.00 0.00 C ATOM 357 O ILE A 22 -1.626 -12.676 -10.635 1.00 0.00 O ATOM 358 CB ILE A 22 -4.136 -11.427 -8.875 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.065 -11.419 -7.641 1.00 0.00 C ATOM 360 CG2 ILE A 22 -4.796 -12.180 -10.039 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.371 -12.791 -7.028 1.00 0.00 C ATOM 0 H ILE A 22 -2.581 -10.430 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.771 -13.048 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.994 -10.382 -9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.613 -10.792 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.007 -10.949 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.793 -11.776 -10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.192 -12.061 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.873 -13.239 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.031 -12.667 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.858 -13.421 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.442 -13.261 -6.706 1.00 0.00 H new ATOM 373 N THR A 23 -1.275 -10.546 -9.987 1.00 0.00 N ATOM 374 CA THR A 23 -0.568 -10.061 -11.194 1.00 0.00 C ATOM 375 C THR A 23 0.929 -9.769 -11.037 1.00 0.00 C ATOM 376 O THR A 23 1.619 -9.509 -12.026 1.00 0.00 O ATOM 377 CB THR A 23 -1.284 -8.845 -11.807 1.00 0.00 C ATOM 378 OG1 THR A 23 -0.979 -7.692 -11.055 1.00 0.00 O ATOM 379 CG2 THR A 23 -2.808 -8.950 -11.862 1.00 0.00 C ATOM 0 H THR A 23 -1.308 -9.845 -9.247 1.00 0.00 H new ATOM 0 HA THR A 23 -0.612 -10.914 -11.872 1.00 0.00 H new ATOM 0 HB THR A 23 -0.922 -8.798 -12.834 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.434 -6.917 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.219 -8.045 -12.310 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.092 -9.814 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.201 -9.066 -10.852 1.00 0.00 H new ATOM 387 N ASN A 24 1.438 -9.810 -9.803 1.00 0.00 N ATOM 388 CA ASN A 24 2.778 -9.382 -9.381 1.00 0.00 C ATOM 389 C ASN A 24 3.090 -7.880 -9.594 1.00 0.00 C ATOM 390 O ASN A 24 4.254 -7.475 -9.509 1.00 0.00 O ATOM 391 CB ASN A 24 3.860 -10.347 -9.907 1.00 0.00 C ATOM 392 CG ASN A 24 3.642 -11.779 -9.444 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.634 -12.083 -8.259 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.501 -12.715 -10.358 1.00 0.00 N ATOM 0 H ASN A 24 0.891 -10.166 -9.019 1.00 0.00 H new ATOM 0 HA ASN A 24 2.791 -9.457 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.868 -10.319 -10.997 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.840 -10.006 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.386 -13.689 -10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.507 -12.467 -11.347 1.00 0.00 H new ATOM 401 N ALA A 25 2.078 -7.034 -9.840 1.00 0.00 N ATOM 402 CA ALA A 25 2.230 -5.573 -9.847 1.00 0.00 C ATOM 403 C ALA A 25 2.543 -5.007 -8.442 1.00 0.00 C ATOM 404 O ALA A 25 2.398 -5.687 -7.422 1.00 0.00 O ATOM 405 CB ALA A 25 0.972 -4.932 -10.449 1.00 0.00 C ATOM 0 H ALA A 25 1.128 -7.346 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 25 3.090 -5.321 -10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.083 -3.848 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.835 -5.288 -11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.103 -5.204 -9.850 1.00 0.00 H new ATOM 411 N SER A 26 2.978 -3.746 -8.368 1.00 0.00 N ATOM 412 CA SER A 26 3.259 -3.033 -7.108 1.00 0.00 C ATOM 413 C SER A 26 3.113 -1.514 -7.235 1.00 0.00 C ATOM 414 O SER A 26 3.344 -0.950 -8.309 1.00 0.00 O ATOM 415 CB SER A 26 4.659 -3.370 -6.583 1.00 0.00 C ATOM 416 OG SER A 26 4.683 -4.698 -6.102 1.00 0.00 O ATOM 0 H SER A 26 3.150 -3.176 -9.196 1.00 0.00 H new ATOM 0 HA SER A 26 2.509 -3.378 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.395 -3.248 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.934 -2.680 -5.786 1.00 0.00 H new ATOM 0 HG SER A 26 3.862 -5.159 -6.373 1.00 0.00 H new ATOM 422 N GLN A 27 2.738 -0.847 -6.139 1.00 0.00 N ATOM 423 CA GLN A 27 2.517 0.602 -6.084 1.00 0.00 C ATOM 424 C GLN A 27 2.780 1.154 -4.671 1.00 0.00 C ATOM 425 O GLN A 27 2.327 0.577 -3.685 1.00 0.00 O ATOM 426 CB GLN A 27 1.063 0.897 -6.511 1.00 0.00 C ATOM 427 CG GLN A 27 0.884 2.330 -7.012 1.00 0.00 C ATOM 428 CD GLN A 27 -0.540 2.592 -7.502 1.00 0.00 C ATOM 429 OE1 GLN A 27 -0.826 2.605 -8.693 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.515 2.634 -6.619 1.00 0.00 N ATOM 0 H GLN A 27 2.576 -1.310 -5.245 1.00 0.00 H new ATOM 0 HA GLN A 27 3.214 1.094 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.769 0.201 -7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.397 0.724 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.125 3.027 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.587 2.521 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.301 2.624 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.485 2.676 -6.932 1.00 0.00 H new ATOM 439 N PHE A 28 3.491 2.277 -4.551 1.00 0.00 N ATOM 440 CA PHE A 28 3.615 3.010 -3.281 1.00 0.00 C ATOM 441 C PHE A 28 2.335 3.719 -2.809 1.00 0.00 C ATOM 442 O PHE A 28 1.966 3.679 -1.633 1.00 0.00 O ATOM 443 CB PHE A 28 4.876 3.893 -3.279 1.00 0.00 C ATOM 444 CG PHE A 28 4.838 5.047 -2.294 1.00 0.00 C ATOM 445 CD1 PHE A 28 5.331 4.892 -0.985 1.00 0.00 C ATOM 446 CD2 PHE A 28 4.260 6.271 -2.683 1.00 0.00 C ATOM 447 CE1 PHE A 28 5.243 5.960 -0.070 1.00 0.00 C ATOM 448 CE2 PHE A 28 4.157 7.331 -1.767 1.00 0.00 C ATOM 449 CZ PHE A 28 4.654 7.177 -0.459 1.00 0.00 C ATOM 0 H PHE A 28 3.997 2.706 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 28 3.752 2.258 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.740 3.268 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.025 4.293 -4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.776 3.956 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.894 6.395 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.629 5.844 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.698 8.262 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.583 7.993 0.245 1.00 0.00 H new ATOM 459 N GLU A 29 1.635 4.331 -3.764 1.00 0.00 N ATOM 460 CA GLU A 29 0.324 4.958 -3.587 1.00 0.00 C ATOM 461 C GLU A 29 -0.766 3.923 -3.245 1.00 0.00 C ATOM 462 O GLU A 29 -0.821 2.844 -3.846 1.00 0.00 O ATOM 463 CB GLU A 29 -0.004 5.724 -4.877 1.00 0.00 C ATOM 464 CG GLU A 29 -1.365 6.438 -4.846 1.00 0.00 C ATOM 465 CD GLU A 29 -1.630 7.334 -6.077 1.00 0.00 C ATOM 466 OE1 GLU A 29 -2.736 7.924 -6.157 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.757 7.472 -6.971 1.00 0.00 O ATOM 0 H GLU A 29 1.979 4.407 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 29 0.353 5.645 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.778 6.461 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.012 5.028 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.155 5.690 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.424 7.049 -3.945 1.00 0.00 H new ATOM 474 N ARG A 30 -1.661 4.264 -2.307 1.00 0.00 N ATOM 475 CA ARG A 30 -2.753 3.390 -1.852 1.00 0.00 C ATOM 476 C ARG A 30 -3.738 3.065 -3.001 1.00 0.00 C ATOM 477 O ARG A 30 -4.281 3.997 -3.604 1.00 0.00 O ATOM 478 CB ARG A 30 -3.387 4.013 -0.592 1.00 0.00 C ATOM 479 CG ARG A 30 -4.565 3.223 0.000 1.00 0.00 C ATOM 480 CD ARG A 30 -5.913 3.639 -0.607 1.00 0.00 C ATOM 481 NE ARG A 30 -6.713 2.471 -1.011 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.807 1.999 -0.446 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.243 2.392 0.717 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.495 1.095 -1.070 1.00 0.00 N ATOM 0 H ARG A 30 -1.647 5.168 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.374 2.410 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.616 4.114 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.729 5.019 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.406 2.158 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.594 3.373 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.472 4.229 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.740 4.279 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.379 1.963 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.730 3.102 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.097 1.990 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.188 0.760 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.344 0.719 -0.648 1.00 0.00 H new ATOM 498 N PRO A 31 -3.980 1.779 -3.331 1.00 0.00 N ATOM 499 CA PRO A 31 -4.720 1.365 -4.529 1.00 0.00 C ATOM 500 C PRO A 31 -6.236 1.570 -4.432 1.00 0.00 C ATOM 501 O PRO A 31 -6.867 1.140 -3.466 1.00 0.00 O ATOM 502 CB PRO A 31 -4.377 -0.114 -4.721 1.00 0.00 C ATOM 503 CG PRO A 31 -4.050 -0.607 -3.314 1.00 0.00 C ATOM 504 CD PRO A 31 -3.386 0.613 -2.693 1.00 0.00 C ATOM 0 HA PRO A 31 -4.427 1.984 -5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.213 -0.664 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.530 -0.242 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.945 -0.905 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.384 -1.470 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.548 0.636 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.308 0.591 -2.853 1.00 0.00 H new