USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 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 19 TYR OH : rot 15:sc= 0.971 USER MOD Set 1.2: A 33 SER OG : rot -148:sc= 1.75 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.89 K(o=2.1,f=-7.6!) USER MOD Set 2.2: A 24 THR OG1 : rot -46:sc= 0.19 USER MOD Set 3.1: A 13 SER OG : rot -82:sc= 1.38 USER MOD Set 3.2: A 14 ASN : amide:sc= 3.44 K(o=6.2,f=-5.1!) USER MOD Set 3.3: A 16 THR OG1 : rot 92:sc= 1.34 USER MOD Single : A 1 LYS N :NH3+ -151:sc= 1.24 (180deg=0.424) USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 3.61 (180deg=3.56) USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= 2.07 (180deg=-1.34!) USER MOD Single : A 10 MET CE :methyl 175:sc= 0 (180deg=-0.0255) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.983 USER MOD Single : A 22 HIS : no HE2:sc= -0.287 K(o=-0.29,f=-2.4) USER MOD Single : A 25 ASN : amide:sc= 0.203 X(o=0.2,f=-0.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.814 K(o=0.81,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.196 -0.721 -3.432 1.00 0.00 N ATOM 2 CA LYS A 1 -11.814 0.279 -4.459 1.00 0.00 C ATOM 3 C LYS A 1 -11.275 -0.483 -5.673 1.00 0.00 C ATOM 4 O LYS A 1 -12.089 -1.022 -6.414 1.00 0.00 O ATOM 5 CB LYS A 1 -10.832 1.344 -3.921 1.00 0.00 C ATOM 6 CG LYS A 1 -11.190 1.981 -2.568 1.00 0.00 C ATOM 7 CD LYS A 1 -9.976 2.775 -2.057 1.00 0.00 C ATOM 8 CE LYS A 1 -10.064 3.034 -0.554 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.716 3.298 -0.019 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.970 -0.342 -2.850 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.510 -1.596 -3.899 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.376 -0.927 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.689 0.857 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.846 0.887 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.750 2.139 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.052 2.639 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.466 1.210 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.062 2.225 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.913 3.725 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.717 3.885 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.504 2.173 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.789 3.590 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.141 2.434 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.266 4.056 -0.570 1.00 0.00 H new ATOM 25 N LEU A 2 -9.949 -0.570 -5.854 1.00 0.00 N ATOM 26 CA LEU A 2 -9.303 -1.443 -6.834 1.00 0.00 C ATOM 27 C LEU A 2 -9.550 -2.944 -6.441 1.00 0.00 C ATOM 28 O LEU A 2 -10.035 -3.222 -5.340 1.00 0.00 O ATOM 29 CB LEU A 2 -7.796 -1.087 -7.046 1.00 0.00 C ATOM 30 CG LEU A 2 -7.349 0.373 -7.299 1.00 0.00 C ATOM 31 CD1 LEU A 2 -7.614 1.384 -6.173 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.839 0.356 -7.583 1.00 0.00 C ATOM 0 H LEU A 2 -9.284 -0.021 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.758 -1.280 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.258 -1.437 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.444 -1.679 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.960 0.720 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.255 2.368 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.684 1.434 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.091 1.068 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.492 1.373 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.312 -0.058 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.641 -0.259 -8.461 1.00 0.00 H new ATOM 44 N PRO A 3 -9.234 -3.909 -7.326 1.00 0.00 N ATOM 45 CA PRO A 3 -9.566 -5.337 -7.264 1.00 0.00 C ATOM 46 C PRO A 3 -9.033 -6.222 -6.123 1.00 0.00 C ATOM 47 O PRO A 3 -8.003 -5.926 -5.506 1.00 0.00 O ATOM 48 CB PRO A 3 -8.893 -5.903 -8.525 1.00 0.00 C ATOM 49 CG PRO A 3 -8.996 -4.782 -9.539 1.00 0.00 C ATOM 50 CD PRO A 3 -8.654 -3.626 -8.618 1.00 0.00 C ATOM 0 HA PRO A 3 -10.648 -5.369 -7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.854 -6.173 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.397 -6.804 -8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.292 -4.890 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.990 -4.696 -9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.573 -3.510 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.046 -2.690 -9.017 1.00 0.00 H new ATOM 58 N PRO A 4 -9.665 -7.401 -5.930 1.00 0.00 N ATOM 59 CA PRO A 4 -9.145 -8.457 -5.072 1.00 0.00 C ATOM 60 C PRO A 4 -7.834 -8.942 -5.720 1.00 0.00 C ATOM 61 O PRO A 4 -7.719 -9.008 -6.945 1.00 0.00 O ATOM 62 CB PRO A 4 -10.224 -9.541 -5.002 1.00 0.00 C ATOM 63 CG PRO A 4 -11.003 -9.349 -6.300 1.00 0.00 C ATOM 64 CD PRO A 4 -10.921 -7.841 -6.534 1.00 0.00 C ATOM 0 HA PRO A 4 -8.922 -8.142 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.788 -10.538 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.863 -9.416 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.559 -9.909 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.035 -9.687 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.942 -7.611 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.771 -7.330 -6.081 1.00 0.00 H new ATOM 72 N GLY A 5 -6.822 -9.230 -4.902 1.00 0.00 N ATOM 73 CA GLY A 5 -5.454 -9.483 -5.359 1.00 0.00 C ATOM 74 C GLY A 5 -4.503 -8.357 -4.948 1.00 0.00 C ATOM 75 O GLY A 5 -3.333 -8.641 -4.698 1.00 0.00 O ATOM 0 H GLY A 5 -6.930 -9.295 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.101 -10.427 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.446 -9.588 -6.444 1.00 0.00 H new ATOM 79 N TRP A 6 -4.968 -7.101 -4.832 1.00 0.00 N ATOM 80 CA TRP A 6 -4.147 -6.055 -4.222 1.00 0.00 C ATOM 81 C TRP A 6 -4.005 -6.280 -2.707 1.00 0.00 C ATOM 82 O TRP A 6 -5.004 -6.308 -1.989 1.00 0.00 O ATOM 83 CB TRP A 6 -4.769 -4.699 -4.524 1.00 0.00 C ATOM 84 CG TRP A 6 -4.618 -4.233 -5.935 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.553 -4.261 -6.906 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.475 -3.550 -6.509 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.061 -3.646 -8.041 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.780 -3.180 -7.850 1.00 0.00 C ATOM 89 CE3 TRP A 6 -2.208 -3.210 -6.013 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.864 -2.504 -8.670 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -1.284 -2.542 -6.823 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.600 -2.183 -8.146 1.00 0.00 C ATOM 0 H TRP A 6 -5.889 -6.795 -5.147 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.143 -6.089 -4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.831 -4.742 -4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.323 -3.956 -3.863 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.536 -4.697 -6.811 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.582 -3.549 -8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.944 -3.466 -4.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.125 -2.236 -9.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.310 -2.297 -6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.875 -1.664 -8.756 1.00 0.00 H new ATOM 103 N GLU A 7 -2.766 -6.386 -2.210 1.00 0.00 N ATOM 104 CA GLU A 7 -2.459 -6.700 -0.807 1.00 0.00 C ATOM 105 C GLU A 7 -1.270 -5.854 -0.298 1.00 0.00 C ATOM 106 O GLU A 7 -0.372 -5.500 -1.062 1.00 0.00 O ATOM 107 CB GLU A 7 -2.182 -8.216 -0.718 1.00 0.00 C ATOM 108 CG GLU A 7 -2.529 -8.867 0.630 1.00 0.00 C ATOM 109 CD GLU A 7 -1.586 -8.452 1.758 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.415 -8.902 1.753 1.00 0.00 O ATOM 111 OE2 GLU A 7 -1.998 -7.627 2.607 1.00 0.00 O ATOM 0 H GLU A 7 -1.932 -6.253 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.301 -6.449 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.748 -8.719 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.126 -8.389 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.550 -8.601 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.500 -9.951 0.521 1.00 0.00 H new ATOM 118 N LYS A 8 -1.276 -5.513 0.997 1.00 0.00 N ATOM 119 CA LYS A 8 -0.302 -4.661 1.695 1.00 0.00 C ATOM 120 C LYS A 8 1.124 -5.220 1.629 1.00 0.00 C ATOM 121 O LYS A 8 1.344 -6.408 1.881 1.00 0.00 O ATOM 122 CB LYS A 8 -0.814 -4.452 3.140 1.00 0.00 C ATOM 123 CG LYS A 8 0.195 -4.043 4.229 1.00 0.00 C ATOM 124 CD LYS A 8 1.097 -5.143 4.831 1.00 0.00 C ATOM 125 CE LYS A 8 0.416 -6.458 5.261 1.00 0.00 C ATOM 126 NZ LYS A 8 0.164 -7.394 4.134 1.00 0.00 N ATOM 0 H LYS A 8 -2.007 -5.845 1.626 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.226 -3.694 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.593 -3.690 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.288 -5.380 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.842 -3.272 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.362 -3.584 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.867 -5.386 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.604 -4.725 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.041 -6.955 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.531 -6.225 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.460 -8.353 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.851 -7.397 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.706 -7.088 3.301 1.00 0.00 H new ATOM 140 N ARG A 9 2.109 -4.344 1.393 1.00 0.00 N ATOM 141 CA ARG A 9 3.553 -4.626 1.430 1.00 0.00 C ATOM 142 C ARG A 9 4.320 -3.422 1.993 1.00 0.00 C ATOM 143 O ARG A 9 3.763 -2.338 2.151 1.00 0.00 O ATOM 144 CB ARG A 9 4.067 -4.976 0.014 1.00 0.00 C ATOM 145 CG ARG A 9 3.435 -6.221 -0.632 1.00 0.00 C ATOM 146 CD ARG A 9 3.693 -7.535 0.122 1.00 0.00 C ATOM 147 NE ARG A 9 2.466 -8.346 0.220 1.00 0.00 N ATOM 148 CZ ARG A 9 2.148 -9.458 -0.425 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.918 -9.977 -1.354 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.032 -10.077 -0.136 1.00 0.00 N ATOM 0 H ARG A 9 1.913 -3.371 1.159 1.00 0.00 H new ATOM 0 HA ARG A 9 3.723 -5.481 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.891 -4.121 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.146 -5.122 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.359 -6.067 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.816 -6.320 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.468 -8.105 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.067 -7.316 1.122 1.00 0.00 H new ATOM 0 HE ARG A 9 1.764 -8.003 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.796 -9.522 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.637 -10.836 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.412 -9.703 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.782 -10.934 -0.629 1.00 0.00 H new ATOM 164 N MET A 10 5.615 -3.614 2.262 1.00 0.00 N ATOM 165 CA MET A 10 6.522 -2.575 2.752 1.00 0.00 C ATOM 166 C MET A 10 7.743 -2.460 1.832 1.00 0.00 C ATOM 167 O MET A 10 8.371 -3.464 1.481 1.00 0.00 O ATOM 168 CB MET A 10 6.922 -2.896 4.199 1.00 0.00 C ATOM 169 CG MET A 10 7.716 -1.746 4.828 1.00 0.00 C ATOM 170 SD MET A 10 8.323 -2.068 6.504 1.00 0.00 S ATOM 171 CE MET A 10 9.672 -3.227 6.152 1.00 0.00 C ATOM 0 H MET A 10 6.071 -4.518 2.142 1.00 0.00 H new ATOM 0 HA MET A 10 6.021 -1.607 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.027 -3.089 4.791 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.520 -3.807 4.219 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.567 -1.517 4.186 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.085 -0.857 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.207 -3.454 7.074 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.262 -4.147 5.734 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.360 -2.778 5.435 1.00 0.00 H new ATOM 181 N PHE A 11 8.048 -1.228 1.417 1.00 0.00 N ATOM 182 CA PHE A 11 9.121 -0.869 0.497 1.00 0.00 C ATOM 183 C PHE A 11 10.486 -1.024 1.180 1.00 0.00 C ATOM 184 O PHE A 11 10.964 -0.146 1.905 1.00 0.00 O ATOM 185 CB PHE A 11 8.871 0.555 -0.024 1.00 0.00 C ATOM 186 CG PHE A 11 9.755 1.092 -1.142 1.00 0.00 C ATOM 187 CD1 PHE A 11 10.768 0.323 -1.756 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.561 2.423 -1.561 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.588 0.889 -2.747 1.00 0.00 C ATOM 190 CE2 PHE A 11 10.377 2.988 -2.556 1.00 0.00 C ATOM 191 CZ PHE A 11 11.395 2.222 -3.148 1.00 0.00 C ATOM 0 H PHE A 11 7.522 -0.413 1.733 1.00 0.00 H new ATOM 0 HA PHE A 11 9.131 -1.543 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.838 0.604 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.958 1.236 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.913 -0.706 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.777 3.015 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.369 0.298 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.221 4.011 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.027 2.656 -3.909 1.00 0.00 H new ATOM 201 N ARG A 12 11.113 -2.178 0.932 1.00 0.00 N ATOM 202 CA ARG A 12 12.466 -2.509 1.384 1.00 0.00 C ATOM 203 C ARG A 12 13.438 -1.396 0.968 1.00 0.00 C ATOM 204 O ARG A 12 13.291 -0.838 -0.121 1.00 0.00 O ATOM 205 CB ARG A 12 12.879 -3.884 0.825 1.00 0.00 C ATOM 206 CG ARG A 12 11.803 -4.979 1.030 1.00 0.00 C ATOM 207 CD ARG A 12 11.168 -5.522 -0.265 1.00 0.00 C ATOM 208 NE ARG A 12 10.757 -4.491 -1.248 1.00 0.00 N ATOM 209 CZ ARG A 12 9.526 -4.255 -1.693 1.00 0.00 C ATOM 210 NH1 ARG A 12 8.449 -4.564 -1.019 1.00 0.00 N ATOM 211 NH2 ARG A 12 9.326 -3.656 -2.839 1.00 0.00 N ATOM 0 H ARG A 12 10.679 -2.929 0.395 1.00 0.00 H new ATOM 0 HA ARG A 12 12.492 -2.577 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.090 -3.787 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.805 -4.200 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.252 -5.811 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.012 -4.576 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.879 -6.195 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.294 -6.117 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 12 11.498 -3.899 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.530 -5.009 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.528 -4.360 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.121 -3.362 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.375 -3.483 -3.165 1.00 0.00 H new ATOM 225 N SER A 13 14.413 -1.094 1.836 1.00 0.00 N ATOM 226 CA SER A 13 15.375 0.037 1.849 1.00 0.00 C ATOM 227 C SER A 13 14.894 1.283 2.610 1.00 0.00 C ATOM 228 O SER A 13 15.741 2.083 3.000 1.00 0.00 O ATOM 229 CB SER A 13 15.828 0.502 0.450 1.00 0.00 C ATOM 230 OG SER A 13 14.769 1.143 -0.238 1.00 0.00 O ATOM 0 H SER A 13 14.572 -1.700 2.641 1.00 0.00 H new ATOM 0 HA SER A 13 16.218 -0.406 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.671 1.186 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.176 -0.355 -0.127 1.00 0.00 H new ATOM 0 HG SER A 13 14.188 0.468 -0.646 1.00 0.00 H new ATOM 236 N ASN A 14 13.584 1.460 2.844 1.00 0.00 N ATOM 237 CA ASN A 14 13.067 2.698 3.451 1.00 0.00 C ATOM 238 C ASN A 14 11.859 2.517 4.387 1.00 0.00 C ATOM 239 O ASN A 14 11.736 3.269 5.349 1.00 0.00 O ATOM 240 CB ASN A 14 12.764 3.701 2.328 1.00 0.00 C ATOM 241 CG ASN A 14 11.759 3.168 1.322 1.00 0.00 C ATOM 242 OD1 ASN A 14 10.554 3.202 1.554 1.00 0.00 O ATOM 243 ND2 ASN A 14 12.230 2.639 0.208 1.00 0.00 N ATOM 0 H ASN A 14 12.868 0.768 2.624 1.00 0.00 H new ATOM 0 HA ASN A 14 13.847 3.075 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.381 4.624 2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.690 3.953 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.589 2.247 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.235 2.622 0.037 1.00 0.00 H new ATOM 250 N GLY A 15 10.990 1.528 4.143 1.00 0.00 N ATOM 251 CA GLY A 15 9.877 1.188 5.034 1.00 0.00 C ATOM 252 C GLY A 15 8.523 1.773 4.622 1.00 0.00 C ATOM 253 O GLY A 15 7.559 1.634 5.371 1.00 0.00 O ATOM 0 H GLY A 15 11.041 0.937 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.788 0.103 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.116 1.535 6.039 1.00 0.00 H new ATOM 257 N THR A 16 8.423 2.412 3.449 1.00 0.00 N ATOM 258 CA THR A 16 7.159 2.953 2.930 1.00 0.00 C ATOM 259 C THR A 16 6.150 1.822 2.733 1.00 0.00 C ATOM 260 O THR A 16 6.378 0.936 1.911 1.00 0.00 O ATOM 261 CB THR A 16 7.358 3.688 1.591 1.00 0.00 C ATOM 262 OG1 THR A 16 8.418 4.615 1.668 1.00 0.00 O ATOM 263 CG2 THR A 16 6.098 4.449 1.176 1.00 0.00 C ATOM 0 H THR A 16 9.219 2.569 2.831 1.00 0.00 H new ATOM 0 HA THR A 16 6.785 3.669 3.662 1.00 0.00 H new ATOM 0 HB THR A 16 7.586 2.920 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.250 4.185 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.275 4.955 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.270 3.749 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.850 5.186 1.940 1.00 0.00 H new ATOM 271 N VAL A 17 5.028 1.835 3.457 1.00 0.00 N ATOM 272 CA VAL A 17 3.970 0.838 3.240 1.00 0.00 C ATOM 273 C VAL A 17 3.130 1.229 2.025 1.00 0.00 C ATOM 274 O VAL A 17 2.831 2.398 1.784 1.00 0.00 O ATOM 275 CB VAL A 17 3.109 0.626 4.500 1.00 0.00 C ATOM 276 CG1 VAL A 17 1.807 -0.155 4.257 1.00 0.00 C ATOM 277 CG2 VAL A 17 3.925 -0.170 5.526 1.00 0.00 C ATOM 0 H VAL A 17 4.827 2.515 4.190 1.00 0.00 H new ATOM 0 HA VAL A 17 4.439 -0.124 3.034 1.00 0.00 H new ATOM 0 HB VAL A 17 2.835 1.623 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.264 -0.258 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.189 0.382 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.044 -1.144 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.327 -0.327 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.202 -1.135 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.827 0.385 5.784 1.00 0.00 H new ATOM 287 N TYR A 18 2.789 0.208 1.243 1.00 0.00 N ATOM 288 CA TYR A 18 2.124 0.308 -0.054 1.00 0.00 C ATOM 289 C TYR A 18 1.326 -0.976 -0.333 1.00 0.00 C ATOM 290 O TYR A 18 1.241 -1.849 0.534 1.00 0.00 O ATOM 291 CB TYR A 18 3.184 0.610 -1.131 1.00 0.00 C ATOM 292 CG TYR A 18 4.037 -0.551 -1.600 1.00 0.00 C ATOM 293 CD1 TYR A 18 5.103 -1.013 -0.809 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.791 -1.135 -2.855 1.00 0.00 C ATOM 295 CE1 TYR A 18 5.904 -2.078 -1.261 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.570 -2.217 -3.305 1.00 0.00 C ATOM 297 CZ TYR A 18 5.634 -2.689 -2.505 1.00 0.00 C ATOM 298 OH TYR A 18 6.408 -3.727 -2.933 1.00 0.00 O ATOM 0 H TYR A 18 2.978 -0.758 1.509 1.00 0.00 H new ATOM 0 HA TYR A 18 1.403 1.126 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.675 1.029 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.848 1.384 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.307 -0.551 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.998 -0.750 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.727 -2.429 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.356 -2.683 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 18 6.089 -4.034 -3.807 1.00 0.00 H new ATOM 308 N TYR A 19 0.729 -1.107 -1.521 1.00 0.00 N ATOM 309 CA TYR A 19 0.020 -2.314 -1.951 1.00 0.00 C ATOM 310 C TYR A 19 0.582 -2.877 -3.264 1.00 0.00 C ATOM 311 O TYR A 19 1.067 -2.172 -4.149 1.00 0.00 O ATOM 312 CB TYR A 19 -1.492 -2.049 -2.055 1.00 0.00 C ATOM 313 CG TYR A 19 -2.289 -2.323 -0.788 1.00 0.00 C ATOM 314 CD1 TYR A 19 -2.036 -1.608 0.397 1.00 0.00 C ATOM 315 CD2 TYR A 19 -3.304 -3.299 -0.795 1.00 0.00 C ATOM 316 CE1 TYR A 19 -2.789 -1.867 1.556 1.00 0.00 C ATOM 317 CE2 TYR A 19 -4.076 -3.552 0.353 1.00 0.00 C ATOM 318 CZ TYR A 19 -3.818 -2.833 1.537 1.00 0.00 C ATOM 319 OH TYR A 19 -4.571 -3.066 2.648 1.00 0.00 O ATOM 0 H TYR A 19 0.725 -0.366 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 19 0.180 -3.077 -1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.643 -1.008 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.897 -2.663 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.260 -0.857 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.493 -3.863 -1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.579 -1.324 2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.862 -4.293 0.327 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.443 -2.336 3.289 1.00 0.00 H new ATOM 329 N PHE A 20 0.462 -4.196 -3.381 1.00 0.00 N ATOM 330 CA PHE A 20 0.993 -5.033 -4.447 1.00 0.00 C ATOM 331 C PHE A 20 -0.102 -5.980 -4.919 1.00 0.00 C ATOM 332 O PHE A 20 -0.705 -6.689 -4.112 1.00 0.00 O ATOM 333 CB PHE A 20 2.184 -5.813 -3.887 1.00 0.00 C ATOM 334 CG PHE A 20 2.787 -6.859 -4.807 1.00 0.00 C ATOM 335 CD1 PHE A 20 3.687 -6.465 -5.812 1.00 0.00 C ATOM 336 CD2 PHE A 20 2.492 -8.227 -4.628 1.00 0.00 C ATOM 337 CE1 PHE A 20 4.313 -7.430 -6.620 1.00 0.00 C ATOM 338 CE2 PHE A 20 3.130 -9.192 -5.426 1.00 0.00 C ATOM 339 CZ PHE A 20 4.042 -8.796 -6.419 1.00 0.00 C ATOM 0 H PHE A 20 -0.044 -4.744 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 20 1.322 -4.434 -5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.965 -5.101 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.870 -6.305 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.898 -5.417 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.777 -8.532 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.001 -7.123 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.919 -10.240 -5.276 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.535 -9.540 -7.028 1.00 0.00 H new ATOM 349 N ASN A 21 -0.382 -5.978 -6.220 1.00 0.00 N ATOM 350 CA ASN A 21 -1.329 -6.908 -6.804 1.00 0.00 C ATOM 351 C ASN A 21 -0.670 -8.279 -6.968 1.00 0.00 C ATOM 352 O ASN A 21 0.041 -8.526 -7.939 1.00 0.00 O ATOM 353 CB ASN A 21 -1.872 -6.352 -8.115 1.00 0.00 C ATOM 354 CG ASN A 21 -3.000 -7.237 -8.602 1.00 0.00 C ATOM 355 OD1 ASN A 21 -2.747 -8.254 -9.232 1.00 0.00 O ATOM 356 ND2 ASN A 21 -4.241 -6.908 -8.303 1.00 0.00 N ATOM 0 H ASN A 21 0.040 -5.335 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.184 -7.037 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.230 -5.333 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.079 -6.309 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.012 -7.506 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.430 -6.055 -7.777 1.00 0.00 H new ATOM 363 N HIS A 22 -0.924 -9.189 -6.029 1.00 0.00 N ATOM 364 CA HIS A 22 -0.287 -10.505 -5.984 1.00 0.00 C ATOM 365 C HIS A 22 -0.733 -11.462 -7.114 1.00 0.00 C ATOM 366 O HIS A 22 -0.331 -12.626 -7.119 1.00 0.00 O ATOM 367 CB HIS A 22 -0.471 -11.098 -4.576 1.00 0.00 C ATOM 368 CG HIS A 22 -1.787 -11.808 -4.346 1.00 0.00 C ATOM 369 ND1 HIS A 22 -2.176 -12.982 -4.952 1.00 0.00 N ATOM 370 CD2 HIS A 22 -2.792 -11.430 -3.497 1.00 0.00 C ATOM 371 CE1 HIS A 22 -3.396 -13.300 -4.487 1.00 0.00 C ATOM 372 NE2 HIS A 22 -3.812 -12.383 -3.600 1.00 0.00 N ATOM 0 H HIS A 22 -1.586 -9.032 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 22 0.777 -10.373 -6.178 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.341 -11.800 -4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.377 -10.295 -3.845 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.635 -13.515 -5.632 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.797 -10.556 -2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.962 -14.170 -4.785 1.00 0.00 H new ATOM 380 N ILE A 23 -1.589 -10.997 -8.036 1.00 0.00 N ATOM 381 CA ILE A 23 -2.110 -11.757 -9.177 1.00 0.00 C ATOM 382 C ILE A 23 -1.431 -11.306 -10.491 1.00 0.00 C ATOM 383 O ILE A 23 -1.270 -12.107 -11.408 1.00 0.00 O ATOM 384 CB ILE A 23 -3.658 -11.630 -9.193 1.00 0.00 C ATOM 385 CG1 ILE A 23 -4.259 -12.103 -7.841 1.00 0.00 C ATOM 386 CG2 ILE A 23 -4.279 -12.423 -10.350 1.00 0.00 C ATOM 387 CD1 ILE A 23 -5.791 -12.066 -7.752 1.00 0.00 C ATOM 0 H ILE A 23 -1.950 -10.044 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.870 -12.816 -9.080 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.897 -10.577 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.926 -13.123 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.851 -11.481 -7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.363 -12.310 -10.328 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.894 -12.046 -11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.022 -13.477 -10.248 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.107 -12.415 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.140 -11.044 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.216 -12.712 -8.520 1.00 0.00 H new ATOM 399 N THR A 24 -1.005 -10.037 -10.569 1.00 0.00 N ATOM 400 CA THR A 24 -0.378 -9.399 -11.750 1.00 0.00 C ATOM 401 C THR A 24 1.039 -8.858 -11.522 1.00 0.00 C ATOM 402 O THR A 24 1.685 -8.421 -12.468 1.00 0.00 O ATOM 403 CB THR A 24 -1.204 -8.189 -12.205 1.00 0.00 C ATOM 404 OG1 THR A 24 -1.242 -7.249 -11.158 1.00 0.00 O ATOM 405 CG2 THR A 24 -2.645 -8.519 -12.594 1.00 0.00 C ATOM 0 H THR A 24 -1.089 -9.395 -9.781 1.00 0.00 H new ATOM 0 HA THR A 24 -0.335 -10.203 -12.485 1.00 0.00 H new ATOM 0 HB THR A 24 -0.713 -7.806 -13.100 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.446 -7.706 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.156 -7.607 -12.903 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.645 -9.232 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.162 -8.953 -11.739 1.00 0.00 H new ATOM 413 N ASN A 25 1.481 -8.823 -10.265 1.00 0.00 N ATOM 414 CA ASN A 25 2.685 -8.171 -9.749 1.00 0.00 C ATOM 415 C ASN A 25 2.718 -6.635 -9.930 1.00 0.00 C ATOM 416 O ASN A 25 3.790 -6.035 -9.802 1.00 0.00 O ATOM 417 CB ASN A 25 3.972 -8.945 -10.122 1.00 0.00 C ATOM 418 CG ASN A 25 4.494 -8.750 -11.540 1.00 0.00 C ATOM 419 OD1 ASN A 25 4.613 -9.685 -12.314 1.00 0.00 O ATOM 420 ND2 ASN A 25 4.887 -7.541 -11.891 1.00 0.00 N ATOM 0 H ASN A 25 0.963 -9.289 -9.520 1.00 0.00 H new ATOM 0 HA ASN A 25 2.639 -8.243 -8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.759 -8.655 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.787 -10.008 -9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.293 -7.384 -12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.785 -6.763 -11.240 1.00 0.00 H new ATOM 427 N ALA A 26 1.577 -5.982 -10.217 1.00 0.00 N ATOM 428 CA ALA A 26 1.496 -4.517 -10.187 1.00 0.00 C ATOM 429 C ALA A 26 1.704 -3.951 -8.761 1.00 0.00 C ATOM 430 O ALA A 26 1.544 -4.665 -7.771 1.00 0.00 O ATOM 431 CB ALA A 26 0.148 -4.082 -10.776 1.00 0.00 C ATOM 0 H ALA A 26 0.705 -6.446 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 26 2.304 -4.108 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.077 -2.994 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.070 -4.434 -11.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.662 -4.508 -10.184 1.00 0.00 H new ATOM 437 N SER A 27 2.034 -2.656 -8.643 1.00 0.00 N ATOM 438 CA SER A 27 2.280 -1.959 -7.365 1.00 0.00 C ATOM 439 C SER A 27 1.621 -0.571 -7.356 1.00 0.00 C ATOM 440 O SER A 27 1.563 0.086 -8.393 1.00 0.00 O ATOM 441 CB SER A 27 3.786 -1.806 -7.124 1.00 0.00 C ATOM 442 OG SER A 27 4.382 -3.073 -6.927 1.00 0.00 O ATOM 0 H SER A 27 2.141 -2.046 -9.453 1.00 0.00 H new ATOM 0 HA SER A 27 1.842 -2.561 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.249 -1.307 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.960 -1.175 -6.252 1.00 0.00 H new ATOM 0 HG SER A 27 5.344 -2.962 -6.775 1.00 0.00 H new ATOM 448 N GLN A 28 1.127 -0.135 -6.191 1.00 0.00 N ATOM 449 CA GLN A 28 0.417 1.133 -5.983 1.00 0.00 C ATOM 450 C GLN A 28 0.543 1.551 -4.506 1.00 0.00 C ATOM 451 O GLN A 28 0.670 0.700 -3.631 1.00 0.00 O ATOM 452 CB GLN A 28 -1.053 0.924 -6.414 1.00 0.00 C ATOM 453 CG GLN A 28 -2.029 2.086 -6.178 1.00 0.00 C ATOM 454 CD GLN A 28 -1.537 3.437 -6.684 1.00 0.00 C ATOM 455 OE1 GLN A 28 -1.141 4.293 -5.904 1.00 0.00 O ATOM 456 NE2 GLN A 28 -1.514 3.670 -7.981 1.00 0.00 N ATOM 0 H GLN A 28 1.215 -0.678 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 28 0.844 1.939 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.062 0.687 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.437 0.049 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.976 1.853 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.230 2.164 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.843 2.958 -8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.167 4.562 -8.333 1.00 0.00 H new ATOM 465 N PHE A 29 0.505 2.852 -4.210 1.00 0.00 N ATOM 466 CA PHE A 29 0.546 3.372 -2.839 1.00 0.00 C ATOM 467 C PHE A 29 -0.850 3.529 -2.224 1.00 0.00 C ATOM 468 O PHE A 29 -1.008 3.312 -1.021 1.00 0.00 O ATOM 469 CB PHE A 29 1.332 4.687 -2.821 1.00 0.00 C ATOM 470 CG PHE A 29 2.770 4.535 -3.286 1.00 0.00 C ATOM 471 CD1 PHE A 29 3.679 3.783 -2.516 1.00 0.00 C ATOM 472 CD2 PHE A 29 3.197 5.108 -4.499 1.00 0.00 C ATOM 473 CE1 PHE A 29 5.005 3.609 -2.950 1.00 0.00 C ATOM 474 CE2 PHE A 29 4.523 4.935 -4.934 1.00 0.00 C ATOM 475 CZ PHE A 29 5.427 4.186 -4.159 1.00 0.00 C ATOM 0 H PHE A 29 0.444 3.581 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 29 1.058 2.643 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.827 5.413 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.326 5.092 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.355 3.338 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.504 5.682 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.698 3.033 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.848 5.378 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.445 4.055 -4.494 1.00 0.00 H new ATOM 485 N GLU A 30 -1.871 3.858 -3.026 1.00 0.00 N ATOM 486 CA GLU A 30 -3.250 3.846 -2.533 1.00 0.00 C ATOM 487 C GLU A 30 -3.745 2.412 -2.286 1.00 0.00 C ATOM 488 O GLU A 30 -3.647 1.534 -3.142 1.00 0.00 O ATOM 489 CB GLU A 30 -4.172 4.632 -3.477 1.00 0.00 C ATOM 490 CG GLU A 30 -5.655 4.696 -3.053 1.00 0.00 C ATOM 491 CD GLU A 30 -5.899 5.262 -1.643 1.00 0.00 C ATOM 492 OE1 GLU A 30 -4.985 5.867 -1.040 1.00 0.00 O ATOM 493 OE2 GLU A 30 -6.975 4.992 -1.066 1.00 0.00 O ATOM 0 H GLU A 30 -1.769 4.131 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.274 4.351 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.792 5.650 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.114 4.185 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.198 5.307 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.077 3.692 -3.104 1.00 0.00 H new ATOM 500 N ARG A 31 -4.299 2.198 -1.091 1.00 0.00 N ATOM 501 CA ARG A 31 -4.701 0.887 -0.557 1.00 0.00 C ATOM 502 C ARG A 31 -6.104 0.542 -1.088 1.00 0.00 C ATOM 503 O ARG A 31 -7.050 1.230 -0.692 1.00 0.00 O ATOM 504 CB ARG A 31 -4.703 0.941 0.992 1.00 0.00 C ATOM 505 CG ARG A 31 -3.414 1.508 1.652 1.00 0.00 C ATOM 506 CD ARG A 31 -3.634 2.389 2.898 1.00 0.00 C ATOM 507 NE ARG A 31 -4.727 3.361 2.739 1.00 0.00 N ATOM 508 CZ ARG A 31 -4.873 4.263 1.781 1.00 0.00 C ATOM 509 NH1 ARG A 31 -3.884 4.651 1.014 1.00 0.00 N ATOM 510 NH2 ARG A 31 -6.056 4.748 1.512 1.00 0.00 N ATOM 0 H ARG A 31 -4.489 2.960 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.999 0.117 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.550 1.547 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.869 -0.067 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.772 0.672 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.873 2.092 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.848 1.749 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.711 2.924 3.123 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.458 3.337 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.953 4.255 1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.045 5.349 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.869 4.432 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.166 5.443 0.774 1.00 0.00 H new ATOM 524 N PRO A 32 -6.317 -0.459 -1.978 1.00 0.00 N ATOM 525 CA PRO A 32 -7.653 -0.700 -2.550 1.00 0.00 C ATOM 526 C PRO A 32 -8.764 -1.120 -1.595 1.00 0.00 C ATOM 527 O PRO A 32 -9.946 -1.086 -1.930 1.00 0.00 O ATOM 528 CB PRO A 32 -7.472 -1.711 -3.666 1.00 0.00 C ATOM 529 CG PRO A 32 -6.019 -1.529 -4.059 1.00 0.00 C ATOM 530 CD PRO A 32 -5.350 -1.277 -2.704 1.00 0.00 C ATOM 0 HA PRO A 32 -8.022 0.266 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.674 -2.727 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.144 -1.514 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.617 -2.413 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.883 -0.691 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.145 -2.211 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.397 -0.760 -2.819 1.00 0.00 H new ATOM 538 N SER A 33 -8.319 -1.497 -0.416 1.00 0.00 N ATOM 539 CA SER A 33 -9.042 -1.770 0.820 1.00 0.00 C ATOM 540 C SER A 33 -9.569 -0.456 1.435 1.00 0.00 C ATOM 541 O SER A 33 -10.697 -0.058 1.142 1.00 0.00 O ATOM 542 CB SER A 33 -8.101 -2.543 1.765 1.00 0.00 C ATOM 543 OG SER A 33 -6.866 -1.853 1.889 1.00 0.00 O ATOM 0 H SER A 33 -7.318 -1.638 -0.279 1.00 0.00 H new ATOM 0 HA SER A 33 -9.921 -2.387 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.566 -2.653 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.929 -3.548 1.379 1.00 0.00 H new ATOM 0 HG SER A 33 -6.141 -2.500 2.018 1.00 0.00 H new ATOM 549 N GLY A 34 -8.756 0.227 2.256 1.00 0.00 N ATOM 550 CA GLY A 34 -9.118 1.405 3.057 1.00 0.00 C ATOM 551 C GLY A 34 -7.995 2.428 3.128 1.00 0.00 C ATOM 552 O GLY A 34 -6.925 2.106 3.675 1.00 0.00 O ATOM 553 OXT GLY A 34 -8.179 3.527 2.558 1.00 0.00 O ATOM 0 H GLY A 34 -7.780 -0.041 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.005 1.873 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.380 1.088 4.066 1.00 0.00 H new TER 557 GLY A 34