USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 23 ASN : amide:sc= 3.54 K(o=3.5,f=-9.6!) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0411 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000553 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 0.858 (180deg=0.311) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -3.07 X(o=-3.1,f=-2.8) USER MOD Single : A 27 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.048) USER MOD Single : A 29 SER OG : rot 171:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0107 K(o=-0.011,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.283 6.867 -9.712 1.00 1.00 N ATOM 2 CA GLY A 1 -10.896 6.974 -10.161 1.00 1.00 C ATOM 3 C GLY A 1 -9.988 6.196 -9.237 1.00 1.00 C ATOM 4 O GLY A 1 -10.368 5.131 -8.752 1.00 1.00 O ATOM 0 H1 GLY A 1 -12.900 6.692 -10.531 1.00 1.00 H new ATOM 0 H2 GLY A 1 -12.370 6.079 -9.038 1.00 1.00 H new ATOM 0 H3 GLY A 1 -12.567 7.753 -9.247 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -10.805 6.593 -11.178 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -10.593 8.021 -10.184 1.00 1.00 H new ATOM 10 N SER A 2 -8.797 6.733 -8.980 1.00 1.00 N ATOM 11 CA SER A 2 -7.871 6.220 -7.987 1.00 1.00 C ATOM 12 C SER A 2 -8.587 6.155 -6.636 1.00 1.00 C ATOM 13 O SER A 2 -9.168 7.151 -6.198 1.00 1.00 O ATOM 14 CB SER A 2 -6.670 7.161 -7.932 1.00 1.00 C ATOM 15 OG SER A 2 -6.120 7.359 -9.225 1.00 1.00 O ATOM 0 H SER A 2 -8.446 7.556 -9.471 1.00 1.00 H new ATOM 0 HA SER A 2 -7.526 5.218 -8.241 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.973 8.120 -7.511 1.00 1.00 H new ATOM 0 HB3 SER A 2 -5.910 6.748 -7.269 1.00 1.00 H new ATOM 0 HG SER A 2 -5.353 7.966 -9.165 1.00 1.00 H new ATOM 21 N LYS A 3 -8.624 4.985 -6.005 1.00 1.00 N ATOM 22 CA LYS A 3 -9.232 4.779 -4.697 1.00 1.00 C ATOM 23 C LYS A 3 -8.547 3.559 -4.094 1.00 1.00 C ATOM 24 O LYS A 3 -8.206 2.639 -4.847 1.00 1.00 O ATOM 25 CB LYS A 3 -10.736 4.547 -4.902 1.00 1.00 C ATOM 26 CG LYS A 3 -11.582 4.851 -3.657 1.00 1.00 C ATOM 27 CD LYS A 3 -13.061 4.522 -3.920 1.00 1.00 C ATOM 28 CE LYS A 3 -13.689 5.403 -5.012 1.00 1.00 C ATOM 29 NZ LYS A 3 -14.150 6.707 -4.501 1.00 1.00 N ATOM 0 H LYS A 3 -8.222 4.135 -6.399 1.00 1.00 H new ATOM 0 HA LYS A 3 -9.114 5.632 -4.028 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -11.082 5.170 -5.727 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -10.898 3.510 -5.196 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -11.218 4.268 -2.811 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -11.479 5.902 -3.387 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -13.148 3.475 -4.211 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -13.624 4.643 -2.995 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -12.959 5.566 -5.805 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -14.531 4.875 -5.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -14.564 7.258 -5.280 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -14.868 6.557 -3.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -13.344 7.227 -4.099 1.00 1.00 H new ATOM 43 N LEU A 4 -8.363 3.513 -2.774 1.00 1.00 N ATOM 44 CA LEU A 4 -7.744 2.373 -2.109 1.00 1.00 C ATOM 45 C LEU A 4 -8.776 1.681 -1.195 1.00 1.00 C ATOM 46 O LEU A 4 -9.343 2.350 -0.326 1.00 1.00 O ATOM 47 CB LEU A 4 -6.487 2.783 -1.325 1.00 1.00 C ATOM 48 CG LEU A 4 -5.265 3.201 -2.157 1.00 1.00 C ATOM 49 CD1 LEU A 4 -4.184 3.778 -1.243 1.00 1.00 C ATOM 50 CD2 LEU A 4 -4.619 2.057 -2.925 1.00 1.00 C ATOM 0 H LEU A 4 -8.639 4.263 -2.141 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.419 1.665 -2.871 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.751 3.611 -0.667 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.196 1.949 -0.687 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.644 3.930 -2.873 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -3.321 4.072 -1.841 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -4.577 4.650 -0.720 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.882 3.024 -0.516 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.764 2.433 -3.487 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.285 1.292 -2.225 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -5.345 1.626 -3.614 1.00 1.00 H new ATOM 62 N PRO A 5 -9.001 0.363 -1.356 1.00 1.00 N ATOM 63 CA PRO A 5 -9.978 -0.429 -0.600 1.00 1.00 C ATOM 64 C PRO A 5 -9.540 -0.659 0.847 1.00 1.00 C ATOM 65 O PRO A 5 -8.520 -0.111 1.256 1.00 1.00 O ATOM 66 CB PRO A 5 -10.042 -1.773 -1.337 1.00 1.00 C ATOM 67 CG PRO A 5 -8.769 -1.892 -2.161 1.00 1.00 C ATOM 68 CD PRO A 5 -8.300 -0.455 -2.330 1.00 1.00 C ATOM 0 HA PRO A 5 -10.938 0.084 -0.548 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.121 -2.598 -0.628 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -10.922 -1.819 -1.979 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.020 -2.498 -1.652 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -8.961 -2.365 -3.124 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.222 -0.386 -2.181 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.505 -0.104 -3.341 1.00 1.00 H new ATOM 76 N PRO A 6 -10.270 -1.430 1.667 1.00 1.00 N ATOM 77 CA PRO A 6 -9.670 -2.046 2.844 1.00 1.00 C ATOM 78 C PRO A 6 -8.735 -3.178 2.372 1.00 1.00 C ATOM 79 O PRO A 6 -8.646 -3.462 1.170 1.00 1.00 O ATOM 80 CB PRO A 6 -10.858 -2.548 3.666 1.00 1.00 C ATOM 81 CG PRO A 6 -11.876 -2.923 2.587 1.00 1.00 C ATOM 82 CD PRO A 6 -11.665 -1.832 1.538 1.00 1.00 C ATOM 0 HA PRO A 6 -9.059 -1.375 3.448 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.590 -3.404 4.285 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -11.242 -1.778 4.335 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -11.689 -3.917 2.181 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -12.895 -2.923 2.973 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -11.874 -2.206 0.536 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -12.334 -0.988 1.710 1.00 1.00 H new ATOM 90 N GLY A 7 -8.011 -3.827 3.281 1.00 1.00 N ATOM 91 CA GLY A 7 -7.189 -4.975 2.922 1.00 1.00 C ATOM 92 C GLY A 7 -5.718 -4.644 2.699 1.00 1.00 C ATOM 93 O GLY A 7 -5.048 -5.325 1.924 1.00 1.00 O ATOM 0 H GLY A 7 -7.978 -3.576 4.269 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.266 -5.724 3.710 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -7.590 -5.426 2.014 1.00 1.00 H new ATOM 97 N TRP A 8 -5.189 -3.606 3.335 1.00 1.00 N ATOM 98 CA TRP A 8 -3.852 -3.113 3.061 1.00 1.00 C ATOM 99 C TRP A 8 -2.915 -3.297 4.236 1.00 1.00 C ATOM 100 O TRP A 8 -3.320 -3.419 5.389 1.00 1.00 O ATOM 101 CB TRP A 8 -3.978 -1.649 2.679 1.00 1.00 C ATOM 102 CG TRP A 8 -4.580 -1.469 1.330 1.00 1.00 C ATOM 103 CD1 TRP A 8 -5.883 -1.603 0.998 1.00 1.00 C ATOM 104 CD2 TRP A 8 -3.877 -1.221 0.087 1.00 1.00 C ATOM 105 NE1 TRP A 8 -6.031 -1.322 -0.330 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.823 -1.184 -0.967 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.525 -1.083 -0.263 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.448 -1.065 -2.305 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.128 -0.948 -1.603 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.084 -0.956 -2.634 1.00 1.00 C ATOM 0 H TRP A 8 -5.681 -3.082 4.059 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.412 -3.688 2.246 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.590 -1.134 3.419 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -2.992 -1.184 2.700 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.677 -1.886 1.673 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -6.934 -1.226 -0.795 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -1.775 -1.081 0.514 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.198 -1.057 -3.082 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.081 -0.837 -1.843 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -2.775 -0.879 -3.666 1.00 1.00 H new ATOM 121 N GLU A 9 -1.630 -3.236 3.930 1.00 1.00 N ATOM 122 CA GLU A 9 -0.548 -3.073 4.863 1.00 1.00 C ATOM 123 C GLU A 9 0.296 -1.922 4.366 1.00 1.00 C ATOM 124 O GLU A 9 0.413 -1.662 3.167 1.00 1.00 O ATOM 125 CB GLU A 9 0.321 -4.330 4.925 1.00 1.00 C ATOM 126 CG GLU A 9 -0.384 -5.588 5.428 1.00 1.00 C ATOM 127 CD GLU A 9 0.675 -6.651 5.713 1.00 1.00 C ATOM 128 OE1 GLU A 9 1.123 -7.351 4.779 1.00 1.00 O ATOM 129 OE2 GLU A 9 1.156 -6.719 6.870 1.00 1.00 O ATOM 0 H GLU A 9 -1.304 -3.304 2.966 1.00 1.00 H new ATOM 0 HA GLU A 9 -0.946 -2.888 5.861 1.00 1.00 H new ATOM 0 HB2 GLU A 9 0.715 -4.528 3.928 1.00 1.00 H new ATOM 0 HB3 GLU A 9 1.175 -4.129 5.572 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -0.954 -5.368 6.331 1.00 1.00 H new ATOM 0 HG3 GLU A 9 -1.093 -5.949 4.683 1.00 1.00 H new ATOM 136 N LYS A 10 0.886 -1.213 5.315 1.00 1.00 N ATOM 137 CA LYS A 10 1.731 -0.072 5.046 1.00 1.00 C ATOM 138 C LYS A 10 3.128 -0.651 5.134 1.00 1.00 C ATOM 139 O LYS A 10 3.696 -0.773 6.223 1.00 1.00 O ATOM 140 CB LYS A 10 1.391 1.028 6.055 1.00 1.00 C ATOM 141 CG LYS A 10 0.014 1.700 5.835 1.00 1.00 C ATOM 142 CD LYS A 10 -1.129 0.962 5.105 1.00 1.00 C ATOM 143 CE LYS A 10 -2.357 1.872 5.028 1.00 1.00 C ATOM 144 NZ LYS A 10 -3.448 1.465 5.944 1.00 1.00 N ATOM 0 H LYS A 10 0.786 -1.422 6.308 1.00 1.00 H new ATOM 0 HA LYS A 10 1.607 0.414 4.078 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.417 0.603 7.058 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.165 1.794 6.013 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -0.364 1.979 6.818 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.195 2.626 5.289 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.810 0.678 4.102 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -1.378 0.042 5.633 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -2.058 2.894 5.262 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -2.734 1.876 4.005 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -4.018 2.297 6.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -4.052 0.762 5.473 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -3.041 1.050 6.806 1.00 1.00 H new ATOM 158 N ARG A 11 3.610 -1.139 3.995 1.00 1.00 N ATOM 159 CA ARG A 11 4.865 -1.864 3.835 1.00 1.00 C ATOM 160 C ARG A 11 5.752 -1.034 2.934 1.00 1.00 C ATOM 161 O ARG A 11 5.245 -0.215 2.160 1.00 1.00 O ATOM 162 CB ARG A 11 4.626 -3.251 3.209 1.00 1.00 C ATOM 163 CG ARG A 11 4.210 -4.269 4.272 1.00 1.00 C ATOM 164 CD ARG A 11 3.917 -5.649 3.674 1.00 1.00 C ATOM 165 NE ARG A 11 3.838 -6.659 4.738 1.00 1.00 N ATOM 166 CZ ARG A 11 4.870 -7.277 5.325 1.00 1.00 C ATOM 167 NH1 ARG A 11 6.106 -7.138 4.863 1.00 1.00 N ATOM 168 NH2 ARG A 11 4.666 -8.035 6.394 1.00 1.00 N ATOM 0 H ARG A 11 3.109 -1.033 3.113 1.00 1.00 H new ATOM 0 HA ARG A 11 5.333 -2.023 4.807 1.00 1.00 H new ATOM 0 HB2 ARG A 11 3.851 -3.180 2.445 1.00 1.00 H new ATOM 0 HB3 ARG A 11 5.534 -3.590 2.711 1.00 1.00 H new ATOM 0 HG2 ARG A 11 5.002 -4.359 5.015 1.00 1.00 H new ATOM 0 HG3 ARG A 11 3.324 -3.906 4.792 1.00 1.00 H new ATOM 0 HD2 ARG A 11 2.979 -5.621 3.119 1.00 1.00 H new ATOM 0 HD3 ARG A 11 4.699 -5.919 2.964 1.00 1.00 H new ATOM 0 HE ARG A 11 2.905 -6.914 5.061 1.00 1.00 H new ATOM 0 HH11 ARG A 11 6.283 -6.552 4.047 1.00 1.00 H new ATOM 0 HH12 ARG A 11 6.880 -7.617 5.324 1.00 1.00 H new ATOM 0 HH21 ARG A 11 3.724 -8.146 6.768 1.00 1.00 H new ATOM 0 HH22 ARG A 11 5.452 -8.507 6.842 1.00 1.00 H new ATOM 182 N MET A 12 7.055 -1.275 3.005 1.00 1.00 N ATOM 183 CA MET A 12 8.009 -0.629 2.135 1.00 1.00 C ATOM 184 C MET A 12 8.453 -1.579 1.032 1.00 1.00 C ATOM 185 O MET A 12 8.556 -2.792 1.212 1.00 1.00 O ATOM 186 CB MET A 12 9.198 -0.069 2.920 1.00 1.00 C ATOM 187 CG MET A 12 8.856 1.264 3.589 1.00 1.00 C ATOM 188 SD MET A 12 10.328 2.198 4.063 1.00 1.00 S ATOM 189 CE MET A 12 9.576 3.610 4.906 1.00 1.00 C ATOM 0 H MET A 12 7.473 -1.925 3.670 1.00 1.00 H new ATOM 0 HA MET A 12 7.517 0.222 1.664 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.505 -0.789 3.679 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.046 0.068 2.249 1.00 1.00 H new ATOM 0 HG2 MET A 12 8.252 1.864 2.908 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.248 1.077 4.474 1.00 1.00 H new ATOM 0 HE1 MET A 12 10.358 4.282 5.259 1.00 1.00 H new ATOM 0 HE2 MET A 12 8.925 4.143 4.213 1.00 1.00 H new ATOM 0 HE3 MET A 12 8.991 3.257 5.755 1.00 1.00 H new ATOM 199 N SER A 13 8.720 -0.986 -0.124 1.00 1.00 N ATOM 200 CA SER A 13 9.404 -1.592 -1.245 1.00 1.00 C ATOM 201 C SER A 13 10.901 -1.617 -0.923 1.00 1.00 C ATOM 202 O SER A 13 11.388 -0.741 -0.202 1.00 1.00 O ATOM 203 CB SER A 13 9.087 -0.718 -2.464 1.00 1.00 C ATOM 204 OG SER A 13 9.683 -1.181 -3.648 1.00 1.00 O ATOM 0 H SER A 13 8.449 -0.020 -0.309 1.00 1.00 H new ATOM 0 HA SER A 13 9.090 -2.617 -1.445 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.007 -0.676 -2.601 1.00 1.00 H new ATOM 0 HB3 SER A 13 9.424 0.300 -2.270 1.00 1.00 H new ATOM 0 HG SER A 13 9.444 -0.586 -4.389 1.00 1.00 H new ATOM 210 N ARG A 14 11.637 -2.560 -1.523 1.00 1.00 N ATOM 211 CA ARG A 14 13.086 -2.763 -1.428 1.00 1.00 C ATOM 212 C ARG A 14 13.622 -2.610 -0.004 1.00 1.00 C ATOM 213 O ARG A 14 14.642 -1.943 0.206 1.00 1.00 O ATOM 214 CB ARG A 14 13.841 -1.968 -2.512 1.00 1.00 C ATOM 215 CG ARG A 14 13.623 -0.449 -2.494 1.00 1.00 C ATOM 216 CD ARG A 14 14.422 0.230 -3.610 1.00 1.00 C ATOM 217 NE ARG A 14 13.896 1.572 -3.915 1.00 1.00 N ATOM 218 CZ ARG A 14 14.425 2.758 -3.592 1.00 1.00 C ATOM 219 NH1 ARG A 14 15.473 2.858 -2.781 1.00 1.00 N ATOM 220 NH2 ARG A 14 13.875 3.855 -4.091 1.00 1.00 N ATOM 0 H ARG A 14 11.202 -3.252 -2.133 1.00 1.00 H new ATOM 0 HA ARG A 14 13.291 -3.809 -1.655 1.00 1.00 H new ATOM 0 HB2 ARG A 14 14.908 -2.165 -2.405 1.00 1.00 H new ATOM 0 HB3 ARG A 14 13.543 -2.348 -3.489 1.00 1.00 H new ATOM 0 HG2 ARG A 14 12.562 -0.228 -2.614 1.00 1.00 H new ATOM 0 HG3 ARG A 14 13.925 -0.045 -1.528 1.00 1.00 H new ATOM 0 HD2 ARG A 14 15.468 0.307 -3.314 1.00 1.00 H new ATOM 0 HD3 ARG A 14 14.390 -0.387 -4.508 1.00 1.00 H new ATOM 0 HE ARG A 14 13.020 1.601 -4.437 1.00 1.00 H new ATOM 0 HH11 ARG A 14 15.895 2.017 -2.387 1.00 1.00 H new ATOM 0 HH12 ARG A 14 15.855 3.776 -2.552 1.00 1.00 H new ATOM 0 HH21 ARG A 14 13.065 3.785 -4.707 1.00 1.00 H new ATOM 0 HH22 ARG A 14 14.261 4.770 -3.859 1.00 1.00 H new ATOM 234 N SER A 15 12.958 -3.250 0.959 1.00 1.00 N ATOM 235 CA SER A 15 13.232 -3.204 2.387 1.00 1.00 C ATOM 236 C SER A 15 12.898 -1.812 2.926 1.00 1.00 C ATOM 237 O SER A 15 11.880 -1.668 3.607 1.00 1.00 O ATOM 238 CB SER A 15 14.643 -3.740 2.689 1.00 1.00 C ATOM 239 OG SER A 15 14.738 -4.227 4.013 1.00 1.00 O ATOM 0 H SER A 15 12.164 -3.852 0.743 1.00 1.00 H new ATOM 0 HA SER A 15 12.581 -3.881 2.940 1.00 1.00 H new ATOM 0 HB2 SER A 15 14.888 -4.538 1.988 1.00 1.00 H new ATOM 0 HB3 SER A 15 15.375 -2.947 2.538 1.00 1.00 H new ATOM 0 HG SER A 15 15.645 -4.562 4.174 1.00 1.00 H new ATOM 245 N SER A 16 13.684 -0.794 2.572 1.00 1.00 N ATOM 246 CA SER A 16 13.527 0.593 2.962 1.00 1.00 C ATOM 247 C SER A 16 13.735 1.476 1.727 1.00 1.00 C ATOM 248 O SER A 16 14.803 2.060 1.529 1.00 1.00 O ATOM 249 CB SER A 16 14.507 0.887 4.098 1.00 1.00 C ATOM 250 OG SER A 16 14.162 0.107 5.225 1.00 1.00 O ATOM 0 H SER A 16 14.494 -0.933 1.968 1.00 1.00 H new ATOM 0 HA SER A 16 12.526 0.806 3.337 1.00 1.00 H new ATOM 0 HB2 SER A 16 15.526 0.661 3.783 1.00 1.00 H new ATOM 0 HB3 SER A 16 14.480 1.947 4.352 1.00 1.00 H new ATOM 0 HG SER A 16 14.789 0.292 5.955 1.00 1.00 H new ATOM 256 N GLY A 17 12.733 1.522 0.847 1.00 1.00 N ATOM 257 CA GLY A 17 12.720 2.318 -0.373 1.00 1.00 C ATOM 258 C GLY A 17 11.624 3.368 -0.324 1.00 1.00 C ATOM 259 O GLY A 17 11.902 4.565 -0.258 1.00 1.00 O ATOM 0 H GLY A 17 11.876 0.983 0.974 1.00 1.00 H new ATOM 0 HA2 GLY A 17 13.687 2.802 -0.506 1.00 1.00 H new ATOM 0 HA3 GLY A 17 12.568 1.668 -1.234 1.00 1.00 H new ATOM 263 N ARG A 18 10.364 2.935 -0.385 1.00 1.00 N ATOM 264 CA ARG A 18 9.173 3.783 -0.280 1.00 1.00 C ATOM 265 C ARG A 18 8.083 2.967 0.342 1.00 1.00 C ATOM 266 O ARG A 18 8.018 1.764 0.096 1.00 1.00 O ATOM 267 CB ARG A 18 8.630 4.183 -1.658 1.00 1.00 C ATOM 268 CG ARG A 18 9.567 5.089 -2.470 1.00 1.00 C ATOM 269 CD ARG A 18 9.038 5.368 -3.883 1.00 1.00 C ATOM 270 NE ARG A 18 10.145 5.609 -4.819 1.00 1.00 N ATOM 271 CZ ARG A 18 10.872 6.723 -4.965 1.00 1.00 C ATOM 272 NH1 ARG A 18 10.552 7.851 -4.345 1.00 1.00 N ATOM 273 NH2 ARG A 18 11.936 6.709 -5.753 1.00 1.00 N ATOM 0 H ARG A 18 10.135 1.949 -0.513 1.00 1.00 H new ATOM 0 HA ARG A 18 9.450 4.670 0.290 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.430 3.279 -2.233 1.00 1.00 H new ATOM 0 HB3 ARG A 18 7.676 4.693 -1.525 1.00 1.00 H new ATOM 0 HG2 ARG A 18 9.700 6.034 -1.943 1.00 1.00 H new ATOM 0 HG3 ARG A 18 10.549 4.621 -2.539 1.00 1.00 H new ATOM 0 HD2 ARG A 18 8.443 4.522 -4.227 1.00 1.00 H new ATOM 0 HD3 ARG A 18 8.377 6.235 -3.864 1.00 1.00 H new ATOM 0 HE ARG A 18 10.389 4.832 -5.433 1.00 1.00 H new ATOM 0 HH11 ARG A 18 9.733 7.885 -3.738 1.00 1.00 H new ATOM 0 HH12 ARG A 18 11.125 8.685 -4.475 1.00 1.00 H new ATOM 0 HH21 ARG A 18 12.196 5.853 -6.243 1.00 1.00 H new ATOM 0 HH22 ARG A 18 12.495 7.554 -5.870 1.00 1.00 H new ATOM 287 N VAL A 19 7.153 3.647 0.987 1.00 1.00 N ATOM 288 CA VAL A 19 5.972 3.047 1.570 1.00 1.00 C ATOM 289 C VAL A 19 4.871 3.063 0.500 1.00 1.00 C ATOM 290 O VAL A 19 3.818 3.663 0.638 1.00 1.00 O ATOM 291 CB VAL A 19 5.741 3.685 2.958 1.00 1.00 C ATOM 292 CG1 VAL A 19 5.138 5.093 2.974 1.00 1.00 C ATOM 293 CG2 VAL A 19 4.935 2.766 3.888 1.00 1.00 C ATOM 0 H VAL A 19 7.201 4.657 1.122 1.00 1.00 H new ATOM 0 HA VAL A 19 6.036 1.989 1.824 1.00 1.00 H new ATOM 0 HB VAL A 19 6.758 3.807 3.331 1.00 1.00 H new ATOM 0 HG11 VAL A 19 5.026 5.429 4.005 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.797 5.777 2.439 1.00 1.00 H new ATOM 0 HG13 VAL A 19 4.162 5.076 2.489 1.00 1.00 H new ATOM 0 HG21 VAL A 19 4.797 3.255 4.852 1.00 1.00 H new ATOM 0 HG22 VAL A 19 3.962 2.561 3.442 1.00 1.00 H new ATOM 0 HG23 VAL A 19 5.474 1.829 4.030 1.00 1.00 H new ATOM 303 N TYR A 20 5.159 2.388 -0.612 1.00 1.00 N ATOM 304 CA TYR A 20 4.282 2.066 -1.739 1.00 1.00 C ATOM 305 C TYR A 20 3.081 1.179 -1.367 1.00 1.00 C ATOM 306 O TYR A 20 2.482 0.610 -2.258 1.00 1.00 O ATOM 307 CB TYR A 20 5.128 1.386 -2.847 1.00 1.00 C ATOM 308 CG TYR A 20 5.402 -0.101 -2.635 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.734 -0.577 -1.356 1.00 1.00 C ATOM 310 CD2 TYR A 20 5.191 -1.030 -3.674 1.00 1.00 C ATOM 311 CE1 TYR A 20 5.746 -1.956 -1.091 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.219 -2.415 -3.417 1.00 1.00 C ATOM 313 CZ TYR A 20 5.469 -2.884 -2.113 1.00 1.00 C ATOM 314 OH TYR A 20 5.425 -4.212 -1.827 1.00 1.00 O ATOM 0 H TYR A 20 6.098 2.019 -0.761 1.00 1.00 H new ATOM 0 HA TYR A 20 3.852 3.004 -2.090 1.00 1.00 H new ATOM 0 HB2 TYR A 20 4.617 1.512 -3.801 1.00 1.00 H new ATOM 0 HB3 TYR A 20 6.082 1.907 -2.925 1.00 1.00 H new ATOM 0 HD1 TYR A 20 5.982 0.122 -0.571 1.00 1.00 H new ATOM 0 HD2 TYR A 20 5.006 -0.676 -4.678 1.00 1.00 H new ATOM 0 HE1 TYR A 20 5.970 -2.308 -0.095 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.049 -3.117 -4.220 1.00 1.00 H new ATOM 0 HH TYR A 20 5.221 -4.716 -2.643 1.00 1.00 H new ATOM 324 N TYR A 21 2.721 1.055 -0.095 1.00 1.00 N ATOM 325 CA TYR A 21 1.854 0.085 0.587 1.00 1.00 C ATOM 326 C TYR A 21 1.870 -1.322 -0.041 1.00 1.00 C ATOM 327 O TYR A 21 2.665 -1.646 -0.917 1.00 1.00 O ATOM 328 CB TYR A 21 0.425 0.650 0.754 1.00 1.00 C ATOM 329 CG TYR A 21 0.228 1.922 1.564 1.00 1.00 C ATOM 330 CD1 TYR A 21 1.317 2.628 2.094 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.067 2.439 1.760 1.00 1.00 C ATOM 332 CE1 TYR A 21 1.133 3.898 2.635 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.250 3.655 2.453 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.145 4.421 2.847 1.00 1.00 C ATOM 335 OH TYR A 21 -0.296 5.639 3.434 1.00 1.00 O ATOM 0 H TYR A 21 3.080 1.727 0.583 1.00 1.00 H new ATOM 0 HA TYR A 21 2.276 -0.062 1.581 1.00 1.00 H new ATOM 0 HB2 TYR A 21 0.023 0.829 -0.243 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -0.186 -0.129 1.210 1.00 1.00 H new ATOM 0 HD1 TYR A 21 2.302 2.185 2.083 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -1.924 1.903 1.379 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.997 4.491 2.896 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.249 3.997 2.681 1.00 1.00 H new ATOM 0 HH TYR A 21 -1.250 5.852 3.505 1.00 1.00 H new ATOM 345 N PHE A 22 1.013 -2.218 0.434 1.00 1.00 N ATOM 346 CA PHE A 22 0.760 -3.478 -0.235 1.00 1.00 C ATOM 347 C PHE A 22 -0.627 -3.953 0.208 1.00 1.00 C ATOM 348 O PHE A 22 -0.873 -4.072 1.406 1.00 1.00 O ATOM 349 CB PHE A 22 1.902 -4.458 0.134 1.00 1.00 C ATOM 350 CG PHE A 22 1.653 -5.951 -0.015 1.00 1.00 C ATOM 351 CD1 PHE A 22 0.921 -6.664 0.958 1.00 1.00 C ATOM 352 CD2 PHE A 22 2.238 -6.656 -1.082 1.00 1.00 C ATOM 353 CE1 PHE A 22 0.711 -8.048 0.813 1.00 1.00 C ATOM 354 CE2 PHE A 22 2.025 -8.036 -1.228 1.00 1.00 C ATOM 355 CZ PHE A 22 1.234 -8.728 -0.298 1.00 1.00 C ATOM 0 H PHE A 22 0.477 -2.087 1.292 1.00 1.00 H new ATOM 0 HA PHE A 22 0.753 -3.398 -1.322 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.768 -4.204 -0.477 1.00 1.00 H new ATOM 0 HB3 PHE A 22 2.178 -4.270 1.172 1.00 1.00 H new ATOM 0 HD1 PHE A 22 0.521 -6.146 1.817 1.00 1.00 H new ATOM 0 HD2 PHE A 22 2.856 -6.131 -1.795 1.00 1.00 H new ATOM 0 HE1 PHE A 22 0.146 -8.588 1.558 1.00 1.00 H new ATOM 0 HE2 PHE A 22 2.470 -8.566 -2.057 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.029 -9.779 -0.437 1.00 1.00 H new ATOM 365 N ASN A 23 -1.566 -4.150 -0.714 1.00 1.00 N ATOM 366 CA ASN A 23 -2.805 -4.870 -0.438 1.00 1.00 C ATOM 367 C ASN A 23 -2.501 -6.342 -0.401 1.00 1.00 C ATOM 368 O ASN A 23 -1.747 -6.838 -1.238 1.00 1.00 O ATOM 369 CB ASN A 23 -3.851 -4.667 -1.516 1.00 1.00 C ATOM 370 CG ASN A 23 -5.234 -5.149 -1.101 1.00 1.00 C ATOM 371 OD1 ASN A 23 -5.529 -6.330 -1.170 1.00 1.00 O ATOM 372 ND2 ASN A 23 -6.109 -4.272 -0.649 1.00 1.00 N ATOM 0 H ASN A 23 -1.489 -3.814 -1.674 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.195 -4.491 0.507 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -3.902 -3.608 -1.770 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.543 -5.197 -2.418 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -7.036 -4.581 -0.356 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -5.859 -3.285 -0.593 1.00 1.00 H new ATOM 379 N HIS A 24 -3.150 -7.041 0.511 1.00 1.00 N ATOM 380 CA HIS A 24 -2.847 -8.424 0.783 1.00 1.00 C ATOM 381 C HIS A 24 -3.856 -9.410 0.200 1.00 1.00 C ATOM 382 O HIS A 24 -3.657 -10.618 0.303 1.00 1.00 O ATOM 383 CB HIS A 24 -2.663 -8.593 2.295 1.00 1.00 C ATOM 384 CG HIS A 24 -3.866 -8.275 3.153 1.00 1.00 C ATOM 385 ND1 HIS A 24 -4.036 -7.147 3.925 1.00 1.00 N ATOM 386 CD2 HIS A 24 -5.019 -9.006 3.251 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.291 -7.174 4.402 1.00 1.00 C ATOM 388 NE2 HIS A 24 -5.909 -8.315 4.069 1.00 1.00 N ATOM 0 H HIS A 24 -3.904 -6.660 1.083 1.00 1.00 H new ATOM 0 HA HIS A 24 -1.919 -8.675 0.269 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.365 -9.623 2.491 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -1.837 -7.956 2.613 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.207 -9.957 2.775 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -5.743 -6.380 4.978 1.00 1.00 H new ATOM 0 HE2 HIS A 24 -6.840 -8.616 4.356 1.00 1.00 H new ATOM 396 N ILE A 25 -4.912 -8.925 -0.441 1.00 1.00 N ATOM 397 CA ILE A 25 -5.896 -9.705 -1.172 1.00 1.00 C ATOM 398 C ILE A 25 -5.569 -9.568 -2.658 1.00 1.00 C ATOM 399 O ILE A 25 -5.466 -10.572 -3.363 1.00 1.00 O ATOM 400 CB ILE A 25 -7.335 -9.244 -0.832 1.00 1.00 C ATOM 401 CG1 ILE A 25 -7.569 -9.108 0.692 1.00 1.00 C ATOM 402 CG2 ILE A 25 -8.357 -10.224 -1.417 1.00 1.00 C ATOM 403 CD1 ILE A 25 -7.282 -7.699 1.178 1.00 1.00 C ATOM 0 H ILE A 25 -5.113 -7.925 -0.465 1.00 1.00 H new ATOM 0 HA ILE A 25 -5.853 -10.756 -0.888 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.464 -8.257 -1.277 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -8.600 -9.372 0.927 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -6.930 -9.814 1.223 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.365 -9.889 -1.171 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.243 -10.265 -2.500 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.192 -11.216 -0.997 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -7.457 -7.642 2.252 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.243 -7.445 0.966 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -7.939 -6.996 0.665 1.00 1.00 H new ATOM 415 N THR A 26 -5.377 -8.332 -3.118 1.00 1.00 N ATOM 416 CA THR A 26 -5.282 -7.972 -4.520 1.00 1.00 C ATOM 417 C THR A 26 -3.827 -7.886 -4.991 1.00 1.00 C ATOM 418 O THR A 26 -3.596 -7.669 -6.183 1.00 1.00 O ATOM 419 CB THR A 26 -6.063 -6.662 -4.760 1.00 1.00 C ATOM 420 OG1 THR A 26 -5.392 -5.555 -4.189 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.463 -6.715 -4.133 1.00 1.00 C ATOM 0 H THR A 26 -5.281 -7.529 -2.496 1.00 1.00 H new ATOM 0 HA THR A 26 -5.735 -8.758 -5.123 1.00 1.00 H new ATOM 0 HB THR A 26 -6.139 -6.550 -5.842 1.00 1.00 H new ATOM 0 HG1 THR A 26 -5.907 -4.738 -4.357 1.00 1.00 H new ATOM 0 HG21 THR A 26 -7.982 -5.776 -4.323 1.00 1.00 H new ATOM 0 HG22 THR A 26 -8.028 -7.537 -4.573 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.374 -6.870 -3.058 1.00 1.00 H new ATOM 429 N ASN A 27 -2.859 -8.050 -4.071 1.00 1.00 N ATOM 430 CA ASN A 27 -1.412 -7.897 -4.260 1.00 1.00 C ATOM 431 C ASN A 27 -1.130 -6.752 -5.239 1.00 1.00 C ATOM 432 O ASN A 27 -0.669 -6.959 -6.367 1.00 1.00 O ATOM 433 CB ASN A 27 -0.781 -9.251 -4.613 1.00 1.00 C ATOM 434 CG ASN A 27 0.705 -9.217 -4.973 1.00 1.00 C ATOM 435 OD1 ASN A 27 1.182 -10.095 -5.686 1.00 1.00 O ATOM 436 ND2 ASN A 27 1.506 -8.275 -4.501 1.00 1.00 N ATOM 0 H ASN A 27 -3.087 -8.311 -3.112 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.922 -7.597 -3.333 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -0.916 -9.925 -3.767 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -1.329 -9.679 -5.452 1.00 1.00 H new ATOM 0 HD21 ASN A 27 2.500 -8.288 -4.732 1.00 1.00 H new ATOM 0 HD22 ASN A 27 1.130 -7.536 -3.907 1.00 1.00 H new ATOM 443 N ALA A 28 -1.461 -5.541 -4.786 1.00 1.00 N ATOM 444 CA ALA A 28 -1.239 -4.260 -5.448 1.00 1.00 C ATOM 445 C ALA A 28 -0.565 -3.308 -4.455 1.00 1.00 C ATOM 446 O ALA A 28 -0.481 -3.617 -3.267 1.00 1.00 O ATOM 447 CB ALA A 28 -2.582 -3.690 -5.918 1.00 1.00 C ATOM 0 H ALA A 28 -1.923 -5.425 -3.884 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.595 -4.386 -6.318 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.418 -2.733 -6.413 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -3.047 -4.385 -6.617 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -3.237 -3.547 -5.059 1.00 1.00 H new ATOM 453 N SER A 29 -0.090 -2.155 -4.910 1.00 1.00 N ATOM 454 CA SER A 29 0.662 -1.187 -4.110 1.00 1.00 C ATOM 455 C SER A 29 0.136 0.232 -4.402 1.00 1.00 C ATOM 456 O SER A 29 -0.373 0.443 -5.515 1.00 1.00 O ATOM 457 CB SER A 29 2.155 -1.388 -4.426 1.00 1.00 C ATOM 458 OG SER A 29 2.410 -1.689 -5.791 1.00 1.00 O ATOM 0 H SER A 29 -0.220 -1.855 -5.876 1.00 1.00 H new ATOM 0 HA SER A 29 0.531 -1.334 -3.038 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.701 -0.485 -4.153 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.544 -2.195 -3.805 1.00 1.00 H new ATOM 0 HG SER A 29 3.376 -1.667 -5.956 1.00 1.00 H new ATOM 464 N GLN A 30 0.242 1.209 -3.479 1.00 1.00 N ATOM 465 CA GLN A 30 -0.018 2.624 -3.818 1.00 1.00 C ATOM 466 C GLN A 30 0.475 3.664 -2.787 1.00 1.00 C ATOM 467 O GLN A 30 1.321 3.362 -1.958 1.00 1.00 O ATOM 468 CB GLN A 30 -1.506 2.858 -4.118 1.00 1.00 C ATOM 469 CG GLN A 30 -1.678 3.729 -5.374 1.00 1.00 C ATOM 470 CD GLN A 30 -3.021 4.439 -5.337 1.00 1.00 C ATOM 471 OE1 GLN A 30 -3.290 5.176 -4.391 1.00 1.00 O ATOM 472 NE2 GLN A 30 -3.885 4.238 -6.316 1.00 1.00 N ATOM 0 H GLN A 30 0.502 1.049 -2.506 1.00 1.00 H new ATOM 0 HA GLN A 30 0.585 2.792 -4.710 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -2.008 1.901 -4.262 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -1.982 3.343 -3.266 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -0.872 4.461 -5.432 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -1.610 3.109 -6.268 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -3.642 3.622 -7.092 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -4.795 4.698 -6.296 1.00 1.00 H new ATOM 481 N TRP A 31 -0.017 4.911 -2.892 1.00 1.00 N ATOM 482 CA TRP A 31 0.447 6.090 -2.165 1.00 1.00 C ATOM 483 C TRP A 31 -0.653 6.779 -1.343 1.00 1.00 C ATOM 484 O TRP A 31 -0.334 7.530 -0.421 1.00 1.00 O ATOM 485 CB TRP A 31 0.955 7.128 -3.179 1.00 1.00 C ATOM 486 CG TRP A 31 1.861 6.668 -4.289 1.00 1.00 C ATOM 487 CD1 TRP A 31 1.624 6.865 -5.606 1.00 1.00 C ATOM 488 CD2 TRP A 31 3.134 5.957 -4.216 1.00 1.00 C ATOM 489 NE1 TRP A 31 2.651 6.325 -6.352 1.00 1.00 N ATOM 490 CE2 TRP A 31 3.582 5.708 -5.548 1.00 1.00 C ATOM 491 CE3 TRP A 31 3.966 5.494 -3.174 1.00 1.00 C ATOM 492 CZ2 TRP A 31 4.741 4.972 -5.825 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.153 4.789 -3.446 1.00 1.00 C ATOM 494 CH2 TRP A 31 5.528 4.496 -4.766 1.00 1.00 C ATOM 0 H TRP A 31 -0.790 5.127 -3.522 1.00 1.00 H new ATOM 0 HA TRP A 31 1.221 5.742 -1.481 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.084 7.598 -3.636 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.481 7.904 -2.623 1.00 1.00 H new ATOM 0 HD1 TRP A 31 0.760 7.370 -6.013 1.00 1.00 H new ATOM 0 HE1 TRP A 31 2.712 6.376 -7.369 1.00 1.00 H new ATOM 0 HE3 TRP A 31 3.686 5.684 -2.148 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.027 4.772 -6.847 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 5.783 4.470 -2.629 1.00 1.00 H new ATOM 0 HH2 TRP A 31 6.413 3.910 -4.965 1.00 1.00 H new ATOM 505 N GLU A 32 -1.931 6.626 -1.711 1.00 1.00 N ATOM 506 CA GLU A 32 -3.050 7.263 -0.987 1.00 1.00 C ATOM 507 C GLU A 32 -3.343 6.492 0.312 1.00 1.00 C ATOM 508 O GLU A 32 -2.623 5.553 0.636 1.00 1.00 O ATOM 509 CB GLU A 32 -4.280 7.404 -1.905 1.00 1.00 C ATOM 510 CG GLU A 32 -3.974 8.312 -3.109 1.00 1.00 C ATOM 511 CD GLU A 32 -5.229 8.675 -3.908 1.00 1.00 C ATOM 512 OE1 GLU A 32 -6.044 9.492 -3.421 1.00 1.00 O ATOM 513 OE2 GLU A 32 -5.389 8.191 -5.054 1.00 1.00 O ATOM 0 H GLU A 32 -2.222 6.064 -2.511 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.772 8.276 -0.696 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -4.589 6.420 -2.257 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.115 7.816 -1.338 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.495 9.226 -2.757 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.262 7.811 -3.765 1.00 1.00 H new ATOM 520 N ARG A 33 -4.395 6.844 1.066 1.00 1.00 N ATOM 521 CA ARG A 33 -4.810 6.075 2.251 1.00 1.00 C ATOM 522 C ARG A 33 -5.978 5.116 1.946 1.00 1.00 C ATOM 523 O ARG A 33 -7.052 5.566 1.538 1.00 1.00 O ATOM 524 CB ARG A 33 -5.028 6.984 3.470 1.00 1.00 C ATOM 525 CG ARG A 33 -6.266 7.894 3.454 1.00 1.00 C ATOM 526 CD ARG A 33 -6.160 8.950 4.561 1.00 1.00 C ATOM 527 NE ARG A 33 -5.060 9.897 4.311 1.00 1.00 N ATOM 528 CZ ARG A 33 -4.417 10.615 5.238 1.00 1.00 C ATOM 529 NH1 ARG A 33 -4.767 10.536 6.520 1.00 1.00 N ATOM 530 NH2 ARG A 33 -3.413 11.409 4.882 1.00 1.00 N ATOM 0 H ARG A 33 -4.977 7.660 0.876 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.986 5.418 2.530 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -5.084 6.353 4.357 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -4.146 7.615 3.583 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -6.356 8.382 2.483 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -7.167 7.297 3.595 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -7.100 9.496 4.633 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -6.004 8.456 5.520 1.00 1.00 H new ATOM 0 HE ARG A 33 -4.762 10.016 3.343 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -5.532 9.924 6.803 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -4.270 11.088 7.219 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -3.134 11.470 3.903 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -2.922 11.957 5.588 1.00 1.00 H new ATOM 544 N PRO A 34 -5.791 3.790 2.087 1.00 1.00 N ATOM 545 CA PRO A 34 -6.832 2.770 2.107 1.00 1.00 C ATOM 546 C PRO A 34 -8.022 3.094 2.999 1.00 1.00 C ATOM 547 O PRO A 34 -7.947 3.932 3.902 1.00 1.00 O ATOM 548 CB PRO A 34 -6.103 1.504 2.572 1.00 1.00 C ATOM 549 CG PRO A 34 -4.759 1.656 1.897 1.00 1.00 C ATOM 550 CD PRO A 34 -4.505 3.126 2.146 1.00 1.00 C ATOM 0 HA PRO A 34 -7.290 2.672 1.123 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.013 1.459 3.657 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -6.618 0.596 2.257 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -3.994 1.020 2.343 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.796 1.414 0.835 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.036 3.278 3.118 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -3.825 3.533 1.397 1.00 1.00 H new ATOM 558 N SER A 35 -9.117 2.366 2.786 1.00 1.00 N ATOM 559 CA SER A 35 -10.168 2.262 3.787 1.00 1.00 C ATOM 560 C SER A 35 -9.672 1.481 5.011 1.00 1.00 C ATOM 561 O SER A 35 -10.206 1.676 6.102 1.00 1.00 O ATOM 562 CB SER A 35 -11.428 1.630 3.184 1.00 1.00 C ATOM 563 OG SER A 35 -12.441 2.610 3.066 1.00 1.00 O ATOM 0 H SER A 35 -9.296 1.842 1.930 1.00 1.00 H new ATOM 0 HA SER A 35 -10.432 3.265 4.122 1.00 1.00 H new ATOM 0 HB2 SER A 35 -11.202 1.207 2.205 1.00 1.00 H new ATOM 0 HB3 SER A 35 -11.773 0.810 3.814 1.00 1.00 H new ATOM 0 HG SER A 35 -13.245 2.205 2.679 1.00 1.00 H new ATOM 569 N GLY A 36 -8.646 0.639 4.862 1.00 1.00 N ATOM 570 CA GLY A 36 -7.997 -0.040 5.967 1.00 1.00 C ATOM 571 C GLY A 36 -6.726 -0.676 5.461 1.00 1.00 C ATOM 572 O GLY A 36 -6.845 -1.680 4.734 1.00 1.00 O ATOM 573 OXT GLY A 36 -5.634 -0.187 5.820 1.00 1.00 O ATOM 0 H GLY A 36 -8.243 0.412 3.953 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -7.774 0.666 6.767 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -8.659 -0.798 6.386 1.00 1.00 H new TER 577 GLY A 36