USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 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 21 ASN : amide:sc= 2.37 K(o=2.5,f=-8.5!) USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.1: A 13 SER OG : rot -71:sc= 1.25 USER MOD Set 2.2: A 14 ASN : amide:sc= 2.11 K(o=4.6,f=-5.9!) USER MOD Set 2.3: A 16 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 1 LYS N :NH3+ 166:sc= 1.24 (180deg=0.987) USER MOD Single : A 1 LYS NZ :NH3+ 158:sc= 2.39 (180deg=1.15) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.274 (180deg=-0.545) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.937 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -0.328 K(o=-0.33,f=-2.3) USER MOD Single : A 25 ASN : amide:sc= 0.248 X(o=0.25,f=-0.21) USER MOD Single : A 27 SER OG : rot 59:sc= 0.714 USER MOD Single : A 28 GLN : amide:sc= 1.09 K(o=1.1,f=0.1) USER MOD Single : A 33 SER OG : rot -3:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.912 -3.681 1.619 1.00 0.00 N ATOM 2 CA LYS A 1 -12.740 -4.585 1.711 1.00 0.00 C ATOM 3 C LYS A 1 -11.658 -4.105 0.726 1.00 0.00 C ATOM 4 O LYS A 1 -11.572 -2.900 0.492 1.00 0.00 O ATOM 5 CB LYS A 1 -13.159 -6.066 1.535 1.00 0.00 C ATOM 6 CG LYS A 1 -13.796 -6.357 0.166 1.00 0.00 C ATOM 7 CD LYS A 1 -13.779 -7.839 -0.229 1.00 0.00 C ATOM 8 CE LYS A 1 -14.321 -8.050 -1.652 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.552 -7.294 -2.671 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.727 -4.120 2.092 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.690 -2.776 2.081 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.142 -3.511 0.619 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.302 -4.543 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.283 -6.702 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.865 -6.333 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.828 -6.006 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.271 -5.782 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.760 -8.221 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.379 -8.412 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.292 -9.112 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.366 -7.743 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.689 -7.731 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.885 -6.309 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.541 -7.311 -2.426 1.00 0.00 H new ATOM 25 N LEU A 2 -10.853 -5.009 0.153 1.00 0.00 N ATOM 26 CA LEU A 2 -9.927 -4.734 -0.949 1.00 0.00 C ATOM 27 C LEU A 2 -10.360 -5.524 -2.204 1.00 0.00 C ATOM 28 O LEU A 2 -10.978 -6.587 -2.059 1.00 0.00 O ATOM 29 CB LEU A 2 -8.503 -5.160 -0.544 1.00 0.00 C ATOM 30 CG LEU A 2 -7.955 -4.554 0.762 1.00 0.00 C ATOM 31 CD1 LEU A 2 -6.573 -5.138 1.048 1.00 0.00 C ATOM 32 CD2 LEU A 2 -7.831 -3.031 0.692 1.00 0.00 C ATOM 0 H LEU A 2 -10.829 -5.983 0.455 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.940 -3.667 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.484 -6.246 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.824 -4.897 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.662 -4.801 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.182 -4.711 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.650 -6.220 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.900 -4.900 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.440 -2.654 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.152 -2.758 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.812 -2.594 0.505 1.00 0.00 H new ATOM 44 N PRO A 3 -10.021 -5.069 -3.429 1.00 0.00 N ATOM 45 CA PRO A 3 -10.209 -5.872 -4.639 1.00 0.00 C ATOM 46 C PRO A 3 -9.342 -7.157 -4.622 1.00 0.00 C ATOM 47 O PRO A 3 -8.354 -7.235 -3.877 1.00 0.00 O ATOM 48 CB PRO A 3 -9.873 -4.947 -5.820 1.00 0.00 C ATOM 49 CG PRO A 3 -9.751 -3.545 -5.221 1.00 0.00 C ATOM 50 CD PRO A 3 -9.416 -3.788 -3.754 1.00 0.00 C ATOM 0 HA PRO A 3 -11.234 -6.235 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.944 -5.249 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.653 -4.982 -6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.971 -2.968 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.680 -2.984 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.338 -3.811 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.814 -2.994 -3.123 1.00 0.00 H new ATOM 58 N PRO A 4 -9.663 -8.167 -5.456 1.00 0.00 N ATOM 59 CA PRO A 4 -9.019 -9.478 -5.405 1.00 0.00 C ATOM 60 C PRO A 4 -7.514 -9.399 -5.696 1.00 0.00 C ATOM 61 O PRO A 4 -7.089 -8.854 -6.717 1.00 0.00 O ATOM 62 CB PRO A 4 -9.769 -10.360 -6.410 1.00 0.00 C ATOM 63 CG PRO A 4 -10.402 -9.359 -7.375 1.00 0.00 C ATOM 64 CD PRO A 4 -10.695 -8.155 -6.484 1.00 0.00 C ATOM 0 HA PRO A 4 -9.077 -9.903 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.093 -11.041 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.524 -10.973 -5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.725 -9.102 -8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.311 -9.756 -7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.667 -7.228 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.689 -8.227 -6.042 1.00 0.00 H new ATOM 72 N GLY A 5 -6.715 -9.945 -4.773 1.00 0.00 N ATOM 73 CA GLY A 5 -5.261 -10.050 -4.883 1.00 0.00 C ATOM 74 C GLY A 5 -4.477 -8.987 -4.110 1.00 0.00 C ATOM 75 O GLY A 5 -3.272 -9.159 -3.939 1.00 0.00 O ATOM 0 H GLY A 5 -7.076 -10.337 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.955 -11.035 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.986 -9.989 -5.936 1.00 0.00 H new ATOM 79 N TRP A 6 -5.096 -7.890 -3.653 1.00 0.00 N ATOM 80 CA TRP A 6 -4.341 -6.802 -3.012 1.00 0.00 C ATOM 81 C TRP A 6 -3.890 -7.118 -1.579 1.00 0.00 C ATOM 82 O TRP A 6 -4.704 -7.467 -0.726 1.00 0.00 O ATOM 83 CB TRP A 6 -5.151 -5.513 -3.050 1.00 0.00 C ATOM 84 CG TRP A 6 -5.247 -4.903 -4.411 1.00 0.00 C ATOM 85 CD1 TRP A 6 -6.328 -4.930 -5.212 1.00 0.00 C ATOM 86 CD2 TRP A 6 -4.242 -4.130 -5.126 1.00 0.00 C ATOM 87 NE1 TRP A 6 -6.090 -4.189 -6.351 1.00 0.00 N ATOM 88 CE2 TRP A 6 -4.820 -3.652 -6.340 1.00 0.00 C ATOM 89 CE3 TRP A 6 -2.927 -3.724 -4.829 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -4.124 -2.811 -7.218 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -2.218 -2.885 -5.706 1.00 0.00 C ATOM 92 CH2 TRP A 6 -2.812 -2.425 -6.893 1.00 0.00 C ATOM 0 H TRP A 6 -6.102 -7.732 -3.713 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.424 -6.681 -3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.156 -5.715 -2.681 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.700 -4.791 -2.369 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.247 -5.455 -4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.766 -4.056 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.458 -4.061 -3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.588 -2.465 -8.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.207 -2.591 -5.465 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.261 -1.775 -7.556 1.00 0.00 H new ATOM 103 N GLU A 7 -2.596 -6.914 -1.308 1.00 0.00 N ATOM 104 CA GLU A 7 -1.966 -7.117 -0.001 1.00 0.00 C ATOM 105 C GLU A 7 -0.949 -5.990 0.281 1.00 0.00 C ATOM 106 O GLU A 7 -0.346 -5.435 -0.640 1.00 0.00 O ATOM 107 CB GLU A 7 -1.295 -8.510 0.007 1.00 0.00 C ATOM 108 CG GLU A 7 -1.404 -9.267 1.340 1.00 0.00 C ATOM 109 CD GLU A 7 -0.526 -8.676 2.443 1.00 0.00 C ATOM 110 OE1 GLU A 7 0.668 -9.060 2.536 1.00 0.00 O ATOM 111 OE2 GLU A 7 -1.008 -7.792 3.190 1.00 0.00 O ATOM 0 H GLU A 7 -1.937 -6.592 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.712 -7.080 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.743 -9.119 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.241 -8.392 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.443 -9.261 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.126 -10.309 1.182 1.00 0.00 H new ATOM 118 N LYS A 8 -0.745 -5.661 1.562 1.00 0.00 N ATOM 119 CA LYS A 8 0.272 -4.729 2.068 1.00 0.00 C ATOM 120 C LYS A 8 1.681 -5.245 1.746 1.00 0.00 C ATOM 121 O LYS A 8 1.955 -6.442 1.839 1.00 0.00 O ATOM 122 CB LYS A 8 0.006 -4.518 3.580 1.00 0.00 C ATOM 123 CG LYS A 8 1.174 -4.071 4.483 1.00 0.00 C ATOM 124 CD LYS A 8 1.670 -5.141 5.480 1.00 0.00 C ATOM 125 CE LYS A 8 2.222 -6.434 4.856 1.00 0.00 C ATOM 126 NZ LYS A 8 1.182 -7.475 4.645 1.00 0.00 N ATOM 0 H LYS A 8 -1.312 -6.057 2.312 1.00 0.00 H new ATOM 0 HA LYS A 8 0.209 -3.758 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.788 -3.777 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.382 -5.454 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.009 -3.770 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.864 -3.189 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.449 -4.698 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.845 -5.403 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.689 -6.197 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.003 -6.836 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.576 -8.249 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.872 -7.848 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.369 -7.058 4.149 1.00 0.00 H new ATOM 140 N ARG A 9 2.606 -4.331 1.438 1.00 0.00 N ATOM 141 CA ARG A 9 4.046 -4.581 1.252 1.00 0.00 C ATOM 142 C ARG A 9 4.874 -3.436 1.851 1.00 0.00 C ATOM 143 O ARG A 9 4.328 -2.408 2.246 1.00 0.00 O ATOM 144 CB ARG A 9 4.360 -4.747 -0.248 1.00 0.00 C ATOM 145 CG ARG A 9 3.782 -6.010 -0.903 1.00 0.00 C ATOM 146 CD ARG A 9 4.346 -7.329 -0.350 1.00 0.00 C ATOM 147 NE ARG A 9 3.284 -8.195 0.195 1.00 0.00 N ATOM 148 CZ ARG A 9 2.972 -9.441 -0.143 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.564 -10.068 -1.135 1.00 0.00 N ATOM 150 NH2 ARG A 9 2.051 -10.096 0.516 1.00 0.00 N ATOM 0 H ARG A 9 2.364 -3.349 1.304 1.00 0.00 H new ATOM 0 HA ARG A 9 4.313 -5.501 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.980 -3.875 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.442 -4.753 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.700 -6.009 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.974 -5.968 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.875 -7.858 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.075 -7.113 0.431 1.00 0.00 H new ATOM 0 HE ARG A 9 2.712 -7.781 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.290 -9.597 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.297 -11.025 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.567 -9.650 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.817 -11.053 0.250 1.00 0.00 H new ATOM 164 N MET A 10 6.197 -3.613 1.908 1.00 0.00 N ATOM 165 CA MET A 10 7.134 -2.632 2.459 1.00 0.00 C ATOM 166 C MET A 10 8.353 -2.465 1.542 1.00 0.00 C ATOM 167 O MET A 10 8.893 -3.444 1.021 1.00 0.00 O ATOM 168 CB MET A 10 7.524 -3.059 3.880 1.00 0.00 C ATOM 169 CG MET A 10 8.344 -1.971 4.570 1.00 0.00 C ATOM 170 SD MET A 10 8.868 -2.373 6.255 1.00 0.00 S ATOM 171 CE MET A 10 7.366 -1.922 7.164 1.00 0.00 C ATOM 0 H MET A 10 6.654 -4.458 1.566 1.00 0.00 H new ATOM 0 HA MET A 10 6.658 -1.653 2.515 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.626 -3.267 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.099 -3.984 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 10 9.229 -1.765 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.756 -1.053 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.515 -2.108 8.228 1.00 0.00 H new ATOM 0 HE2 MET A 10 7.149 -0.865 7.007 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.529 -2.521 6.805 1.00 0.00 H new ATOM 181 N PHE A 11 8.749 -1.213 1.306 1.00 0.00 N ATOM 182 CA PHE A 11 9.751 -0.788 0.332 1.00 0.00 C ATOM 183 C PHE A 11 11.180 -0.906 0.889 1.00 0.00 C ATOM 184 O PHE A 11 11.620 -0.111 1.729 1.00 0.00 O ATOM 185 CB PHE A 11 9.411 0.627 -0.163 1.00 0.00 C ATOM 186 CG PHE A 11 9.895 0.914 -1.570 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.263 1.120 -1.819 1.00 0.00 C ATOM 188 CD2 PHE A 11 8.979 0.957 -2.639 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.717 1.376 -3.124 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.430 1.214 -3.945 1.00 0.00 C ATOM 191 CZ PHE A 11 10.799 1.426 -4.187 1.00 0.00 C ATOM 0 H PHE A 11 8.355 -0.425 1.820 1.00 0.00 H new ATOM 0 HA PHE A 11 9.725 -1.459 -0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.331 0.766 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.850 1.356 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.969 1.081 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.928 0.792 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.769 1.534 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.725 1.249 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.145 1.627 -5.190 1.00 0.00 H new ATOM 201 N ARG A 12 11.902 -1.934 0.421 1.00 0.00 N ATOM 202 CA ARG A 12 13.299 -2.213 0.778 1.00 0.00 C ATOM 203 C ARG A 12 14.170 -0.971 0.536 1.00 0.00 C ATOM 204 O ARG A 12 13.938 -0.237 -0.424 1.00 0.00 O ATOM 205 CB ARG A 12 13.831 -3.407 -0.041 1.00 0.00 C ATOM 206 CG ARG A 12 13.215 -4.783 0.289 1.00 0.00 C ATOM 207 CD ARG A 12 11.744 -4.994 -0.108 1.00 0.00 C ATOM 208 NE ARG A 12 11.515 -4.780 -1.552 1.00 0.00 N ATOM 209 CZ ARG A 12 10.359 -4.548 -2.167 1.00 0.00 C ATOM 210 NH1 ARG A 12 9.241 -4.321 -1.523 1.00 0.00 N ATOM 211 NH2 ARG A 12 10.299 -4.525 -3.477 1.00 0.00 N ATOM 0 H ARG A 12 11.518 -2.614 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 12 13.344 -2.468 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.663 -3.200 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.909 -3.470 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.813 -5.550 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.305 -4.947 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.440 -6.006 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.115 -4.311 0.462 1.00 0.00 H new ATOM 0 HE ARG A 12 12.342 -4.814 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.232 -4.317 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.380 -4.148 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.142 -4.686 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.410 -4.347 -3.944 1.00 0.00 H new ATOM 225 N SER A 13 15.167 -0.755 1.406 1.00 0.00 N ATOM 226 CA SER A 13 16.056 0.421 1.574 1.00 0.00 C ATOM 227 C SER A 13 15.540 1.486 2.551 1.00 0.00 C ATOM 228 O SER A 13 16.363 2.239 3.068 1.00 0.00 O ATOM 229 CB SER A 13 16.430 1.138 0.260 1.00 0.00 C ATOM 230 OG SER A 13 15.312 1.815 -0.284 1.00 0.00 O ATOM 0 H SER A 13 15.402 -1.476 2.088 1.00 0.00 H new ATOM 0 HA SER A 13 16.945 -0.049 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 17.235 1.849 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.806 0.412 -0.461 1.00 0.00 H new ATOM 0 HG SER A 13 14.670 1.161 -0.631 1.00 0.00 H new ATOM 236 N ASN A 14 14.227 1.569 2.821 1.00 0.00 N ATOM 237 CA ASN A 14 13.683 2.681 3.617 1.00 0.00 C ATOM 238 C ASN A 14 12.491 2.330 4.524 1.00 0.00 C ATOM 239 O ASN A 14 12.335 2.965 5.564 1.00 0.00 O ATOM 240 CB ASN A 14 13.345 3.838 2.664 1.00 0.00 C ATOM 241 CG ASN A 14 12.320 3.452 1.612 1.00 0.00 C ATOM 242 OD1 ASN A 14 11.133 3.336 1.893 1.00 0.00 O ATOM 243 ND2 ASN A 14 12.746 3.220 0.386 1.00 0.00 N ATOM 0 H ASN A 14 13.533 0.892 2.506 1.00 0.00 H new ATOM 0 HA ASN A 14 14.459 2.967 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.966 4.681 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.257 4.175 2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.085 2.941 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.736 3.320 0.163 1.00 0.00 H new ATOM 250 N GLY A 15 11.672 1.332 4.174 1.00 0.00 N ATOM 251 CA GLY A 15 10.585 0.855 5.035 1.00 0.00 C ATOM 252 C GLY A 15 9.216 1.480 4.743 1.00 0.00 C ATOM 253 O GLY A 15 8.273 1.235 5.492 1.00 0.00 O ATOM 0 H GLY A 15 11.744 0.833 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.505 -0.227 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.847 1.056 6.074 1.00 0.00 H new ATOM 257 N THR A 16 9.084 2.264 3.667 1.00 0.00 N ATOM 258 CA THR A 16 7.805 2.830 3.222 1.00 0.00 C ATOM 259 C THR A 16 6.812 1.707 2.934 1.00 0.00 C ATOM 260 O THR A 16 7.079 0.839 2.103 1.00 0.00 O ATOM 261 CB THR A 16 7.972 3.696 1.960 1.00 0.00 C ATOM 262 OG1 THR A 16 8.974 4.667 2.155 1.00 0.00 O ATOM 263 CG2 THR A 16 6.681 4.437 1.604 1.00 0.00 C ATOM 0 H THR A 16 9.871 2.526 3.074 1.00 0.00 H new ATOM 0 HA THR A 16 7.430 3.466 4.024 1.00 0.00 H new ATOM 0 HB THR A 16 8.240 3.016 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.818 4.348 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.841 5.037 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.886 3.715 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.396 5.088 2.430 1.00 0.00 H new ATOM 271 N VAL A 17 5.653 1.720 3.593 1.00 0.00 N ATOM 272 CA VAL A 17 4.601 0.731 3.321 1.00 0.00 C ATOM 273 C VAL A 17 3.837 1.140 2.061 1.00 0.00 C ATOM 274 O VAL A 17 3.596 2.318 1.806 1.00 0.00 O ATOM 275 CB VAL A 17 3.655 0.567 4.529 1.00 0.00 C ATOM 276 CG1 VAL A 17 2.362 -0.210 4.233 1.00 0.00 C ATOM 277 CG2 VAL A 17 4.397 -0.191 5.639 1.00 0.00 C ATOM 0 H VAL A 17 5.416 2.399 4.316 1.00 0.00 H new ATOM 0 HA VAL A 17 5.063 -0.242 3.153 1.00 0.00 H new ATOM 0 HB VAL A 17 3.366 1.578 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.761 -0.275 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.796 0.307 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.611 -1.214 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.738 -0.313 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.699 -1.171 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.281 0.373 5.936 1.00 0.00 H new ATOM 287 N TYR A 18 3.469 0.127 1.278 1.00 0.00 N ATOM 288 CA TYR A 18 2.699 0.232 0.041 1.00 0.00 C ATOM 289 C TYR A 18 1.764 -0.981 -0.094 1.00 0.00 C ATOM 290 O TYR A 18 1.694 -1.808 0.814 1.00 0.00 O ATOM 291 CB TYR A 18 3.660 0.418 -1.152 1.00 0.00 C ATOM 292 CG TYR A 18 4.485 -0.776 -1.594 1.00 0.00 C ATOM 293 CD1 TYR A 18 5.712 -1.066 -0.968 1.00 0.00 C ATOM 294 CD2 TYR A 18 4.073 -1.529 -2.712 1.00 0.00 C ATOM 295 CE1 TYR A 18 6.520 -2.106 -1.463 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.871 -2.579 -3.202 1.00 0.00 C ATOM 297 CZ TYR A 18 6.104 -2.867 -2.578 1.00 0.00 C ATOM 298 OH TYR A 18 6.888 -3.879 -3.048 1.00 0.00 O ATOM 0 H TYR A 18 3.713 -0.838 1.501 1.00 0.00 H new ATOM 0 HA TYR A 18 2.055 1.112 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.071 0.752 -2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.348 1.226 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.032 -0.492 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.136 -1.298 -3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.465 -2.324 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.542 -3.161 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 18 6.452 -4.300 -3.818 1.00 0.00 H new ATOM 308 N TYR A 19 1.036 -1.103 -1.206 1.00 0.00 N ATOM 309 CA TYR A 19 0.205 -2.266 -1.521 1.00 0.00 C ATOM 310 C TYR A 19 0.504 -2.825 -2.918 1.00 0.00 C ATOM 311 O TYR A 19 0.882 -2.109 -3.847 1.00 0.00 O ATOM 312 CB TYR A 19 -1.282 -1.916 -1.369 1.00 0.00 C ATOM 313 CG TYR A 19 -1.847 -2.162 0.020 1.00 0.00 C ATOM 314 CD1 TYR A 19 -1.480 -1.345 1.109 1.00 0.00 C ATOM 315 CD2 TYR A 19 -2.744 -3.231 0.224 1.00 0.00 C ATOM 316 CE1 TYR A 19 -2.029 -1.572 2.385 1.00 0.00 C ATOM 317 CE2 TYR A 19 -3.301 -3.457 1.495 1.00 0.00 C ATOM 318 CZ TYR A 19 -2.961 -2.615 2.574 1.00 0.00 C ATOM 319 OH TYR A 19 -3.519 -2.826 3.795 1.00 0.00 O ATOM 0 H TYR A 19 1.007 -0.382 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 19 0.451 -3.053 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.423 -0.866 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.855 -2.499 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.774 -0.541 0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.004 -3.879 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.738 -0.949 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.989 -4.276 1.645 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.139 -3.583 3.745 1.00 0.00 H new ATOM 329 N PHE A 20 0.297 -4.135 -3.039 1.00 0.00 N ATOM 330 CA PHE A 20 0.662 -4.980 -4.173 1.00 0.00 C ATOM 331 C PHE A 20 -0.451 -5.983 -4.461 1.00 0.00 C ATOM 332 O PHE A 20 -0.899 -6.695 -3.560 1.00 0.00 O ATOM 333 CB PHE A 20 1.950 -5.723 -3.812 1.00 0.00 C ATOM 334 CG PHE A 20 2.470 -6.710 -4.840 1.00 0.00 C ATOM 335 CD1 PHE A 20 3.213 -6.230 -5.932 1.00 0.00 C ATOM 336 CD2 PHE A 20 2.274 -8.101 -4.690 1.00 0.00 C ATOM 337 CE1 PHE A 20 3.751 -7.119 -6.878 1.00 0.00 C ATOM 338 CE2 PHE A 20 2.838 -8.991 -5.622 1.00 0.00 C ATOM 339 CZ PHE A 20 3.562 -8.501 -6.724 1.00 0.00 C ATOM 0 H PHE A 20 -0.160 -4.668 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 20 0.811 -4.370 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.729 -4.984 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.785 -6.259 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.372 -5.168 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.693 -8.480 -3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.309 -6.740 -7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.715 -10.056 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.972 -9.187 -7.450 1.00 0.00 H new ATOM 349 N ASN A 21 -0.898 -6.045 -5.713 1.00 0.00 N ATOM 350 CA ASN A 21 -1.816 -7.067 -6.171 1.00 0.00 C ATOM 351 C ASN A 21 -1.036 -8.340 -6.511 1.00 0.00 C ATOM 352 O ASN A 21 -0.395 -8.431 -7.556 1.00 0.00 O ATOM 353 CB ASN A 21 -2.641 -6.555 -7.350 1.00 0.00 C ATOM 354 CG ASN A 21 -3.781 -7.523 -7.598 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.560 -8.648 -8.026 1.00 0.00 O ATOM 356 ND2 ASN A 21 -4.994 -7.150 -7.239 1.00 0.00 N ATOM 0 H ASN A 21 -0.628 -5.380 -6.438 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.522 -7.312 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.030 -5.559 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.017 -6.469 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.772 -7.805 -7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.154 -6.207 -6.885 1.00 0.00 H new ATOM 363 N HIS A 22 -1.111 -9.338 -5.634 1.00 0.00 N ATOM 364 CA HIS A 22 -0.397 -10.603 -5.766 1.00 0.00 C ATOM 365 C HIS A 22 -0.937 -11.524 -6.883 1.00 0.00 C ATOM 366 O HIS A 22 -0.459 -12.652 -7.018 1.00 0.00 O ATOM 367 CB HIS A 22 -0.329 -11.273 -4.380 1.00 0.00 C ATOM 368 CG HIS A 22 -1.534 -12.109 -4.009 1.00 0.00 C ATOM 369 ND1 HIS A 22 -1.935 -13.259 -4.650 1.00 0.00 N ATOM 370 CD2 HIS A 22 -2.412 -11.883 -2.981 1.00 0.00 C ATOM 371 CE1 HIS A 22 -3.040 -13.711 -4.034 1.00 0.00 C ATOM 372 NE2 HIS A 22 -3.368 -12.904 -3.012 1.00 0.00 N ATOM 0 H HIS A 22 -1.684 -9.287 -4.792 1.00 0.00 H new ATOM 0 HA HIS A 22 0.617 -10.394 -6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.558 -11.906 -4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.198 -10.497 -3.625 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.475 -13.692 -5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.373 -11.066 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.587 -14.597 -4.320 1.00 0.00 H new ATOM 380 N ILE A 23 -1.939 -11.076 -7.655 1.00 0.00 N ATOM 381 CA ILE A 23 -2.466 -11.773 -8.835 1.00 0.00 C ATOM 382 C ILE A 23 -1.988 -11.083 -10.128 1.00 0.00 C ATOM 383 O ILE A 23 -1.712 -11.776 -11.105 1.00 0.00 O ATOM 384 CB ILE A 23 -4.011 -11.895 -8.740 1.00 0.00 C ATOM 385 CG1 ILE A 23 -4.425 -12.632 -7.440 1.00 0.00 C ATOM 386 CG2 ILE A 23 -4.586 -12.622 -9.970 1.00 0.00 C ATOM 387 CD1 ILE A 23 -5.939 -12.712 -7.204 1.00 0.00 C ATOM 0 H ILE A 23 -2.417 -10.194 -7.469 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.073 -12.789 -8.866 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.423 -10.886 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.021 -13.644 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.964 -12.128 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.670 -12.693 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.335 -12.064 -10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.161 -13.624 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.134 -13.244 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.351 -11.705 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.409 -13.244 -8.031 1.00 0.00 H new ATOM 399 N THR A 24 -1.843 -9.747 -10.142 1.00 0.00 N ATOM 400 CA THR A 24 -1.483 -8.987 -11.361 1.00 0.00 C ATOM 401 C THR A 24 -0.108 -8.316 -11.341 1.00 0.00 C ATOM 402 O THR A 24 0.430 -8.023 -12.407 1.00 0.00 O ATOM 403 CB THR A 24 -2.521 -7.902 -11.671 1.00 0.00 C ATOM 404 OG1 THR A 24 -2.504 -6.898 -10.684 1.00 0.00 O ATOM 405 CG2 THR A 24 -3.949 -8.438 -11.785 1.00 0.00 C ATOM 0 H THR A 24 -1.970 -9.162 -9.316 1.00 0.00 H new ATOM 0 HA THR A 24 -1.457 -9.757 -12.132 1.00 0.00 H new ATOM 0 HB THR A 24 -2.234 -7.498 -12.642 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.172 -6.215 -10.901 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.630 -7.616 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.998 -9.175 -12.587 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.238 -8.906 -10.844 1.00 0.00 H new ATOM 413 N ASN A 25 0.465 -8.089 -10.153 1.00 0.00 N ATOM 414 CA ASN A 25 1.671 -7.306 -9.827 1.00 0.00 C ATOM 415 C ASN A 25 1.426 -5.781 -9.761 1.00 0.00 C ATOM 416 O ASN A 25 2.364 -5.021 -9.486 1.00 0.00 O ATOM 417 CB ASN A 25 2.883 -7.658 -10.713 1.00 0.00 C ATOM 418 CG ASN A 25 3.159 -9.150 -10.817 1.00 0.00 C ATOM 419 OD1 ASN A 25 3.878 -9.728 -10.018 1.00 0.00 O ATOM 420 ND2 ASN A 25 2.597 -9.800 -11.816 1.00 0.00 N ATOM 0 H ASN A 25 0.057 -8.488 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 25 1.928 -7.612 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.717 -7.259 -11.714 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.768 -7.162 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.760 -10.800 -11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.999 -9.303 -12.476 1.00 0.00 H new ATOM 427 N ALA A 26 0.181 -5.318 -9.975 1.00 0.00 N ATOM 428 CA ALA A 26 -0.176 -3.909 -9.803 1.00 0.00 C ATOM 429 C ALA A 26 0.285 -3.412 -8.422 1.00 0.00 C ATOM 430 O ALA A 26 0.122 -4.106 -7.421 1.00 0.00 O ATOM 431 CB ALA A 26 -1.682 -3.725 -10.018 1.00 0.00 C ATOM 0 H ALA A 26 -0.596 -5.909 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 26 0.337 -3.303 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.942 -2.674 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.947 -4.043 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.229 -4.326 -9.292 1.00 0.00 H new ATOM 437 N SER A 27 0.897 -2.227 -8.373 1.00 0.00 N ATOM 438 CA SER A 27 1.587 -1.719 -7.183 1.00 0.00 C ATOM 439 C SER A 27 1.245 -0.243 -6.956 1.00 0.00 C ATOM 440 O SER A 27 1.328 0.548 -7.894 1.00 0.00 O ATOM 441 CB SER A 27 3.097 -1.886 -7.392 1.00 0.00 C ATOM 442 OG SER A 27 3.462 -3.251 -7.519 1.00 0.00 O ATOM 0 H SER A 27 0.928 -1.586 -9.166 1.00 0.00 H new ATOM 0 HA SER A 27 1.267 -2.278 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.403 -1.343 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.632 -1.443 -6.552 1.00 0.00 H new ATOM 0 HG SER A 27 2.983 -3.649 -8.276 1.00 0.00 H new ATOM 448 N GLN A 28 0.870 0.131 -5.727 1.00 0.00 N ATOM 449 CA GLN A 28 0.509 1.513 -5.373 1.00 0.00 C ATOM 450 C GLN A 28 0.857 1.826 -3.912 1.00 0.00 C ATOM 451 O GLN A 28 0.801 0.937 -3.068 1.00 0.00 O ATOM 452 CB GLN A 28 -0.986 1.762 -5.660 1.00 0.00 C ATOM 453 CG GLN A 28 -1.942 0.742 -5.017 1.00 0.00 C ATOM 454 CD GLN A 28 -3.400 1.094 -5.288 1.00 0.00 C ATOM 455 OE1 GLN A 28 -4.009 0.648 -6.247 1.00 0.00 O ATOM 456 NE2 GLN A 28 -4.002 1.921 -4.458 1.00 0.00 N ATOM 0 H GLN A 28 0.807 -0.519 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 28 1.096 2.190 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.249 2.759 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.141 1.755 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.729 -0.254 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.769 0.708 -3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.496 2.296 -3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.974 2.186 -4.618 1.00 0.00 H new ATOM 465 N PHE A 29 1.233 3.077 -3.606 1.00 0.00 N ATOM 466 CA PHE A 29 1.653 3.460 -2.248 1.00 0.00 C ATOM 467 C PHE A 29 0.463 3.634 -1.297 1.00 0.00 C ATOM 468 O PHE A 29 0.462 3.035 -0.224 1.00 0.00 O ATOM 469 CB PHE A 29 2.559 4.702 -2.294 1.00 0.00 C ATOM 470 CG PHE A 29 4.045 4.430 -2.520 1.00 0.00 C ATOM 471 CD1 PHE A 29 4.499 3.340 -3.295 1.00 0.00 C ATOM 472 CD2 PHE A 29 4.995 5.286 -1.926 1.00 0.00 C ATOM 473 CE1 PHE A 29 5.875 3.106 -3.462 1.00 0.00 C ATOM 474 CE2 PHE A 29 6.372 5.056 -2.100 1.00 0.00 C ATOM 475 CZ PHE A 29 6.813 3.963 -2.864 1.00 0.00 C ATOM 0 H PHE A 29 1.255 3.842 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 29 2.240 2.639 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.204 5.359 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.447 5.246 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.783 2.681 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.663 6.125 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.211 2.266 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.091 5.721 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.870 3.782 -2.991 1.00 0.00 H new ATOM 485 N GLU A 30 -0.566 4.399 -1.683 1.00 0.00 N ATOM 486 CA GLU A 30 -1.817 4.417 -0.916 1.00 0.00 C ATOM 487 C GLU A 30 -2.572 3.108 -1.171 1.00 0.00 C ATOM 488 O GLU A 30 -2.506 2.539 -2.264 1.00 0.00 O ATOM 489 CB GLU A 30 -2.692 5.626 -1.294 1.00 0.00 C ATOM 490 CG GLU A 30 -3.191 6.441 -0.090 1.00 0.00 C ATOM 491 CD GLU A 30 -4.169 5.651 0.781 1.00 0.00 C ATOM 492 OE1 GLU A 30 -3.707 4.752 1.519 1.00 0.00 O ATOM 493 OE2 GLU A 30 -5.396 5.868 0.683 1.00 0.00 O ATOM 0 H GLU A 30 -0.559 5.002 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.580 4.509 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.122 6.282 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.553 5.274 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.339 6.751 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.677 7.350 -0.445 1.00 0.00 H new ATOM 500 N ARG A 31 -3.316 2.639 -0.171 1.00 0.00 N ATOM 501 CA ARG A 31 -4.015 1.348 -0.251 1.00 0.00 C ATOM 502 C ARG A 31 -5.246 1.446 -1.166 1.00 0.00 C ATOM 503 O ARG A 31 -5.971 2.439 -1.106 1.00 0.00 O ATOM 504 CB ARG A 31 -4.420 0.725 1.106 1.00 0.00 C ATOM 505 CG ARG A 31 -3.889 1.349 2.411 1.00 0.00 C ATOM 506 CD ARG A 31 -4.974 2.100 3.200 1.00 0.00 C ATOM 507 NE ARG A 31 -5.666 3.123 2.394 1.00 0.00 N ATOM 508 CZ ARG A 31 -6.892 3.101 1.878 1.00 0.00 C ATOM 509 NH1 ARG A 31 -7.715 2.094 2.071 1.00 0.00 N ATOM 510 NH2 ARG A 31 -7.311 4.098 1.145 1.00 0.00 N ATOM 0 H ARG A 31 -3.454 3.133 0.711 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.275 0.669 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.509 0.733 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.109 -0.320 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.469 0.563 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.077 2.037 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.705 1.384 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.520 2.576 4.069 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.128 3.968 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.420 1.295 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.648 2.112 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.698 4.894 0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.251 4.081 0.750 1.00 0.00 H new ATOM 524 N PRO A 32 -5.525 0.422 -1.991 1.00 0.00 N ATOM 525 CA PRO A 32 -6.783 0.338 -2.726 1.00 0.00 C ATOM 526 C PRO A 32 -7.939 0.052 -1.753 1.00 0.00 C ATOM 527 O PRO A 32 -7.751 -0.099 -0.542 1.00 0.00 O ATOM 528 CB PRO A 32 -6.576 -0.776 -3.754 1.00 0.00 C ATOM 529 CG PRO A 32 -5.531 -1.678 -3.106 1.00 0.00 C ATOM 530 CD PRO A 32 -4.721 -0.770 -2.192 1.00 0.00 C ATOM 0 HA PRO A 32 -7.049 1.267 -3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.502 -1.315 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.227 -0.381 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.003 -2.483 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.896 -2.146 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.509 -1.262 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.760 -0.520 -2.643 1.00 0.00 H new ATOM 538 N SER A 33 -9.177 0.008 -2.243 1.00 0.00 N ATOM 539 CA SER A 33 -10.358 -0.340 -1.460 1.00 0.00 C ATOM 540 C SER A 33 -11.461 -0.750 -2.433 1.00 0.00 C ATOM 541 O SER A 33 -11.515 -0.258 -3.560 1.00 0.00 O ATOM 542 CB SER A 33 -10.790 0.845 -0.580 1.00 0.00 C ATOM 543 OG SER A 33 -9.780 1.108 0.382 1.00 0.00 O ATOM 0 H SER A 33 -9.390 0.218 -3.218 1.00 0.00 H new ATOM 0 HA SER A 33 -10.141 -1.169 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.960 1.728 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.733 0.618 -0.082 1.00 0.00 H new ATOM 0 HG SER A 33 -9.065 0.443 0.296 1.00 0.00 H new ATOM 549 N GLY A 34 -12.300 -1.687 -1.997 1.00 0.00 N ATOM 550 CA GLY A 34 -13.381 -2.294 -2.780 1.00 0.00 C ATOM 551 C GLY A 34 -13.850 -3.598 -2.161 1.00 0.00 C ATOM 552 O GLY A 34 -13.668 -4.650 -2.812 1.00 0.00 O ATOM 553 OXT GLY A 34 -14.334 -3.545 -1.010 1.00 0.00 O ATOM 0 H GLY A 34 -12.245 -2.061 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.218 -1.599 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.037 -2.476 -3.798 1.00 0.00 H new TER 557 GLY A 34