USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=10 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= -0.0732 K(o=0.6,f=-12!) USER MOD Set 1.2: A 26 THR OG1 : rot -147:sc= 0.676 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 160:sc= 0.0189 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 30:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.882 K(o=-0.88,f=-3.8!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 29 SER OG : rot 148:sc= 0.0459 USER MOD Single : A 30 GLN : amide:sc= 0.751 K(o=0.75,f=-8.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.918 11.333 -2.274 1.00 1.00 N ATOM 2 CA GLY A 1 -9.865 10.315 -3.325 1.00 1.00 C ATOM 3 C GLY A 1 -9.800 8.939 -2.703 1.00 1.00 C ATOM 4 O GLY A 1 -8.750 8.297 -2.721 1.00 1.00 O ATOM 0 H1 GLY A 1 -9.963 12.277 -2.707 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.763 11.182 -1.686 1.00 1.00 H new ATOM 0 H3 GLY A 1 -9.067 11.264 -1.681 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -10.744 10.394 -3.965 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -8.994 10.479 -3.959 1.00 1.00 H new ATOM 10 N SER A 2 -10.911 8.465 -2.154 1.00 1.00 N ATOM 11 CA SER A 2 -11.045 7.123 -1.626 1.00 1.00 C ATOM 12 C SER A 2 -10.868 6.149 -2.796 1.00 1.00 C ATOM 13 O SER A 2 -11.721 6.106 -3.686 1.00 1.00 O ATOM 14 CB SER A 2 -12.421 6.998 -0.976 1.00 1.00 C ATOM 15 OG SER A 2 -12.745 8.149 -0.206 1.00 1.00 O ATOM 0 H SER A 2 -11.762 9.020 -2.064 1.00 1.00 H new ATOM 0 HA SER A 2 -10.296 6.897 -0.867 1.00 1.00 H new ATOM 0 HB2 SER A 2 -13.176 6.852 -1.748 1.00 1.00 H new ATOM 0 HB3 SER A 2 -12.443 6.115 -0.338 1.00 1.00 H new ATOM 0 HG SER A 2 -13.632 8.036 0.194 1.00 1.00 H new ATOM 21 N LYS A 3 -9.726 5.462 -2.868 1.00 1.00 N ATOM 22 CA LYS A 3 -9.351 4.627 -4.008 1.00 1.00 C ATOM 23 C LYS A 3 -8.773 3.316 -3.506 1.00 1.00 C ATOM 24 O LYS A 3 -9.275 2.263 -3.896 1.00 1.00 O ATOM 25 CB LYS A 3 -8.349 5.346 -4.929 1.00 1.00 C ATOM 26 CG LYS A 3 -8.876 6.583 -5.671 1.00 1.00 C ATOM 27 CD LYS A 3 -9.879 6.223 -6.771 1.00 1.00 C ATOM 28 CE LYS A 3 -9.936 7.354 -7.804 1.00 1.00 C ATOM 29 NZ LYS A 3 -10.842 7.018 -8.916 1.00 1.00 N ATOM 0 H LYS A 3 -9.027 5.471 -2.125 1.00 1.00 H new ATOM 0 HA LYS A 3 -10.245 4.426 -4.598 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -7.489 5.646 -4.331 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.989 4.631 -5.668 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -9.350 7.256 -4.957 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -8.038 7.124 -6.111 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -9.586 5.290 -7.253 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.866 6.062 -6.338 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.272 8.272 -7.323 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.936 7.546 -8.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -10.860 7.802 -9.599 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.506 6.155 -9.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.801 6.859 -8.547 1.00 1.00 H new ATOM 43 N LEU A 4 -7.748 3.342 -2.647 1.00 1.00 N ATOM 44 CA LEU A 4 -7.355 2.097 -1.996 1.00 1.00 C ATOM 45 C LEU A 4 -8.527 1.704 -1.064 1.00 1.00 C ATOM 46 O LEU A 4 -9.011 2.557 -0.312 1.00 1.00 O ATOM 47 CB LEU A 4 -6.032 2.176 -1.206 1.00 1.00 C ATOM 48 CG LEU A 4 -4.704 2.281 -1.972 1.00 1.00 C ATOM 49 CD1 LEU A 4 -4.546 3.670 -2.572 1.00 1.00 C ATOM 50 CD2 LEU A 4 -3.504 2.078 -1.030 1.00 1.00 C ATOM 0 H LEU A 4 -7.203 4.167 -2.398 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.161 1.348 -2.764 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.097 3.039 -0.543 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -5.976 1.291 -0.572 1.00 1.00 H new ATOM 0 HG LEU A 4 -4.725 1.512 -2.744 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -3.600 3.728 -3.111 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.369 3.865 -3.260 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.556 4.414 -1.775 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -2.578 2.157 -1.599 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.519 2.841 -0.252 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.565 1.091 -0.571 1.00 1.00 H new ATOM 62 N PRO A 5 -8.996 0.450 -1.081 1.00 1.00 N ATOM 63 CA PRO A 5 -9.941 -0.091 -0.105 1.00 1.00 C ATOM 64 C PRO A 5 -9.232 -0.484 1.193 1.00 1.00 C ATOM 65 O PRO A 5 -8.011 -0.560 1.194 1.00 1.00 O ATOM 66 CB PRO A 5 -10.462 -1.355 -0.771 1.00 1.00 C ATOM 67 CG PRO A 5 -9.284 -1.860 -1.600 1.00 1.00 C ATOM 68 CD PRO A 5 -8.582 -0.570 -2.021 1.00 1.00 C ATOM 0 HA PRO A 5 -10.714 0.633 0.154 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.774 -2.094 -0.033 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -11.329 -1.146 -1.398 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.627 -2.505 -1.017 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.616 -2.439 -2.462 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.499 -0.695 -2.006 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.857 -0.294 -3.039 1.00 1.00 H new ATOM 76 N PRO A 6 -9.926 -0.839 2.284 1.00 1.00 N ATOM 77 CA PRO A 6 -9.273 -1.573 3.361 1.00 1.00 C ATOM 78 C PRO A 6 -8.822 -2.965 2.864 1.00 1.00 C ATOM 79 O PRO A 6 -9.152 -3.384 1.752 1.00 1.00 O ATOM 80 CB PRO A 6 -10.307 -1.633 4.484 1.00 1.00 C ATOM 81 CG PRO A 6 -11.650 -1.533 3.764 1.00 1.00 C ATOM 82 CD PRO A 6 -11.357 -0.730 2.498 1.00 1.00 C ATOM 0 HA PRO A 6 -8.361 -1.095 3.717 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.227 -2.561 5.050 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -10.173 -0.815 5.192 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.044 -2.520 3.523 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -12.395 -1.035 4.384 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -11.911 -1.126 1.647 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -11.657 0.311 2.617 1.00 1.00 H new ATOM 90 N GLY A 7 -8.057 -3.691 3.676 1.00 1.00 N ATOM 91 CA GLY A 7 -7.440 -4.967 3.314 1.00 1.00 C ATOM 92 C GLY A 7 -6.006 -4.761 2.812 1.00 1.00 C ATOM 93 O GLY A 7 -5.592 -5.336 1.803 1.00 1.00 O ATOM 0 H GLY A 7 -7.843 -3.401 4.630 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.435 -5.631 4.179 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -8.033 -5.455 2.541 1.00 1.00 H new ATOM 97 N TRP A 8 -5.257 -3.900 3.501 1.00 1.00 N ATOM 98 CA TRP A 8 -3.956 -3.397 3.102 1.00 1.00 C ATOM 99 C TRP A 8 -3.035 -3.336 4.316 1.00 1.00 C ATOM 100 O TRP A 8 -3.485 -3.148 5.452 1.00 1.00 O ATOM 101 CB TRP A 8 -4.156 -1.999 2.518 1.00 1.00 C ATOM 102 CG TRP A 8 -4.663 -1.963 1.110 1.00 1.00 C ATOM 103 CD1 TRP A 8 -5.901 -2.292 0.676 1.00 1.00 C ATOM 104 CD2 TRP A 8 -3.930 -1.567 -0.084 1.00 1.00 C ATOM 105 NE1 TRP A 8 -5.990 -2.062 -0.672 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.815 -1.590 -1.194 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.607 -1.176 -0.338 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.408 -1.255 -2.488 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.174 -0.852 -1.636 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.071 -0.899 -2.714 1.00 1.00 C ATOM 0 H TRP A 8 -5.563 -3.519 4.397 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.500 -4.052 2.360 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.855 -1.454 3.153 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -3.206 -1.466 2.559 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.697 -2.677 1.296 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -6.833 -2.224 -1.223 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -1.906 -1.123 0.481 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.115 -1.270 -3.304 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.146 -0.566 -1.804 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -2.733 -0.662 -3.712 1.00 1.00 H new ATOM 121 N GLU A 9 -1.736 -3.403 4.058 1.00 1.00 N ATOM 122 CA GLU A 9 -0.653 -3.245 5.006 1.00 1.00 C ATOM 123 C GLU A 9 0.291 -2.166 4.468 1.00 1.00 C ATOM 124 O GLU A 9 0.224 -1.787 3.294 1.00 1.00 O ATOM 125 CB GLU A 9 0.085 -4.579 5.206 1.00 1.00 C ATOM 126 CG GLU A 9 -0.781 -5.657 5.874 1.00 1.00 C ATOM 127 CD GLU A 9 -1.489 -6.587 4.878 1.00 1.00 C ATOM 128 OE1 GLU A 9 -0.828 -7.520 4.363 1.00 1.00 O ATOM 129 OE2 GLU A 9 -2.719 -6.461 4.698 1.00 1.00 O ATOM 0 H GLU A 9 -1.393 -3.582 3.114 1.00 1.00 H new ATOM 0 HA GLU A 9 -1.040 -2.943 5.979 1.00 1.00 H new ATOM 0 HB2 GLU A 9 0.427 -4.946 4.238 1.00 1.00 H new ATOM 0 HB3 GLU A 9 0.973 -4.408 5.814 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -0.154 -6.256 6.534 1.00 1.00 H new ATOM 0 HG3 GLU A 9 -1.530 -5.172 6.500 1.00 1.00 H new ATOM 136 N LYS A 10 1.165 -1.636 5.321 1.00 1.00 N ATOM 137 CA LYS A 10 2.127 -0.608 4.937 1.00 1.00 C ATOM 138 C LYS A 10 3.470 -1.304 4.756 1.00 1.00 C ATOM 139 O LYS A 10 4.222 -1.470 5.718 1.00 1.00 O ATOM 140 CB LYS A 10 2.111 0.552 5.951 1.00 1.00 C ATOM 141 CG LYS A 10 0.712 1.102 6.317 1.00 1.00 C ATOM 142 CD LYS A 10 -0.260 1.368 5.165 1.00 1.00 C ATOM 143 CE LYS A 10 -1.592 0.616 5.118 1.00 1.00 C ATOM 144 NZ LYS A 10 -2.580 1.104 6.100 1.00 1.00 N ATOM 0 H LYS A 10 1.225 -1.909 6.302 1.00 1.00 H new ATOM 0 HA LYS A 10 1.877 -0.127 3.991 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.601 0.218 6.866 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.709 1.370 5.550 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.240 0.396 7.001 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.849 2.034 6.865 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.486 2.434 5.167 1.00 1.00 H new ATOM 0 HD3 LYS A 10 0.268 1.156 4.235 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -2.014 0.703 4.117 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -1.408 -0.444 5.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.457 0.552 6.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -2.197 0.997 7.061 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -2.783 2.108 5.918 1.00 1.00 H new ATOM 158 N ARG A 11 3.724 -1.813 3.548 1.00 1.00 N ATOM 159 CA ARG A 11 4.990 -2.451 3.174 1.00 1.00 C ATOM 160 C ARG A 11 6.060 -1.369 3.083 1.00 1.00 C ATOM 161 O ARG A 11 5.742 -0.187 3.143 1.00 1.00 O ATOM 162 CB ARG A 11 4.843 -3.156 1.815 1.00 1.00 C ATOM 163 CG ARG A 11 4.493 -4.644 1.929 1.00 1.00 C ATOM 164 CD ARG A 11 5.664 -5.526 2.387 1.00 1.00 C ATOM 165 NE ARG A 11 5.639 -5.790 3.832 1.00 1.00 N ATOM 166 CZ ARG A 11 6.677 -6.186 4.577 1.00 1.00 C ATOM 167 NH1 ARG A 11 7.913 -6.240 4.097 1.00 1.00 N ATOM 168 NH2 ARG A 11 6.478 -6.526 5.839 1.00 1.00 N ATOM 0 H ARG A 11 3.044 -1.793 2.788 1.00 1.00 H new ATOM 0 HA ARG A 11 5.269 -3.195 3.920 1.00 1.00 H new ATOM 0 HB2 ARG A 11 4.069 -2.653 1.236 1.00 1.00 H new ATOM 0 HB3 ARG A 11 5.775 -3.052 1.259 1.00 1.00 H new ATOM 0 HG2 ARG A 11 3.667 -4.760 2.631 1.00 1.00 H new ATOM 0 HG3 ARG A 11 4.140 -4.999 0.961 1.00 1.00 H new ATOM 0 HD2 ARG A 11 5.634 -6.473 1.848 1.00 1.00 H new ATOM 0 HD3 ARG A 11 6.604 -5.040 2.126 1.00 1.00 H new ATOM 0 HE ARG A 11 4.748 -5.659 4.311 1.00 1.00 H new ATOM 0 HH11 ARG A 11 8.096 -5.974 3.129 1.00 1.00 H new ATOM 0 HH12 ARG A 11 8.680 -6.547 4.696 1.00 1.00 H new ATOM 0 HH21 ARG A 11 5.539 -6.485 6.236 1.00 1.00 H new ATOM 0 HH22 ARG A 11 7.263 -6.829 6.415 1.00 1.00 H new ATOM 182 N MET A 12 7.315 -1.755 2.867 1.00 1.00 N ATOM 183 CA MET A 12 8.308 -0.845 2.318 1.00 1.00 C ATOM 184 C MET A 12 8.816 -1.441 1.018 1.00 1.00 C ATOM 185 O MET A 12 8.711 -2.649 0.791 1.00 1.00 O ATOM 186 CB MET A 12 9.450 -0.548 3.299 1.00 1.00 C ATOM 187 CG MET A 12 9.031 0.536 4.290 1.00 1.00 C ATOM 188 SD MET A 12 10.384 1.236 5.264 1.00 1.00 S ATOM 189 CE MET A 12 10.781 -0.138 6.372 1.00 1.00 C ATOM 0 H MET A 12 7.665 -2.692 3.065 1.00 1.00 H new ATOM 0 HA MET A 12 7.843 0.123 2.130 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.722 -1.456 3.837 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.335 -0.226 2.750 1.00 1.00 H new ATOM 0 HG2 MET A 12 8.543 1.341 3.741 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.289 0.119 4.971 1.00 1.00 H new ATOM 0 HE1 MET A 12 11.600 0.151 7.031 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.905 -0.388 6.970 1.00 1.00 H new ATOM 0 HE3 MET A 12 11.078 -1.006 5.783 1.00 1.00 H new ATOM 199 N SER A 13 9.357 -0.583 0.166 1.00 1.00 N ATOM 200 CA SER A 13 10.060 -0.936 -1.051 1.00 1.00 C ATOM 201 C SER A 13 11.531 -0.592 -0.836 1.00 1.00 C ATOM 202 O SER A 13 11.843 0.256 0.008 1.00 1.00 O ATOM 203 CB SER A 13 9.441 -0.121 -2.184 1.00 1.00 C ATOM 204 OG SER A 13 10.015 -0.468 -3.419 1.00 1.00 O ATOM 0 H SER A 13 9.314 0.425 0.315 1.00 1.00 H new ATOM 0 HA SER A 13 9.983 -1.994 -1.303 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.365 -0.293 -2.217 1.00 1.00 H new ATOM 0 HB3 SER A 13 9.588 0.942 -1.995 1.00 1.00 H new ATOM 0 HG SER A 13 9.416 -0.196 -4.146 1.00 1.00 H new ATOM 210 N ARG A 14 12.454 -1.209 -1.579 1.00 1.00 N ATOM 211 CA ARG A 14 13.826 -0.696 -1.620 1.00 1.00 C ATOM 212 C ARG A 14 13.888 0.514 -2.551 1.00 1.00 C ATOM 213 O ARG A 14 14.753 1.368 -2.347 1.00 1.00 O ATOM 214 CB ARG A 14 14.843 -1.791 -2.003 1.00 1.00 C ATOM 215 CG ARG A 14 15.359 -2.578 -0.783 1.00 1.00 C ATOM 216 CD ARG A 14 14.344 -3.574 -0.201 1.00 1.00 C ATOM 217 NE ARG A 14 14.785 -4.112 1.102 1.00 1.00 N ATOM 218 CZ ARG A 14 14.404 -5.269 1.659 1.00 1.00 C ATOM 219 NH1 ARG A 14 13.664 -6.137 0.975 1.00 1.00 N ATOM 220 NH2 ARG A 14 14.758 -5.568 2.903 1.00 1.00 N ATOM 0 H ARG A 14 12.285 -2.040 -2.145 1.00 1.00 H new ATOM 0 HA ARG A 14 14.111 -0.373 -0.619 1.00 1.00 H new ATOM 0 HB2 ARG A 14 14.378 -2.482 -2.706 1.00 1.00 H new ATOM 0 HB3 ARG A 14 15.687 -1.333 -2.518 1.00 1.00 H new ATOM 0 HG2 ARG A 14 16.260 -3.120 -1.069 1.00 1.00 H new ATOM 0 HG3 ARG A 14 15.646 -1.872 -0.004 1.00 1.00 H new ATOM 0 HD2 ARG A 14 13.379 -3.081 -0.082 1.00 1.00 H new ATOM 0 HD3 ARG A 14 14.198 -4.396 -0.902 1.00 1.00 H new ATOM 0 HE ARG A 14 15.447 -3.545 1.631 1.00 1.00 H new ATOM 0 HH11 ARG A 14 13.382 -5.924 0.018 1.00 1.00 H new ATOM 0 HH12 ARG A 14 13.378 -7.016 1.407 1.00 1.00 H new ATOM 0 HH21 ARG A 14 15.325 -4.914 3.443 1.00 1.00 H new ATOM 0 HH22 ARG A 14 14.463 -6.451 3.319 1.00 1.00 H new ATOM 234 N SER A 15 12.971 0.642 -3.514 1.00 1.00 N ATOM 235 CA SER A 15 12.826 1.785 -4.386 1.00 1.00 C ATOM 236 C SER A 15 12.545 3.023 -3.537 1.00 1.00 C ATOM 237 O SER A 15 11.493 3.118 -2.893 1.00 1.00 O ATOM 238 CB SER A 15 11.778 1.507 -5.462 1.00 1.00 C ATOM 239 OG SER A 15 12.162 0.334 -6.162 1.00 1.00 O ATOM 0 H SER A 15 12.284 -0.087 -3.706 1.00 1.00 H new ATOM 0 HA SER A 15 13.749 1.980 -4.932 1.00 1.00 H new ATOM 0 HB2 SER A 15 10.795 1.375 -5.010 1.00 1.00 H new ATOM 0 HB3 SER A 15 11.703 2.351 -6.147 1.00 1.00 H new ATOM 0 HG SER A 15 11.500 0.137 -6.857 1.00 1.00 H new ATOM 245 N SER A 16 13.526 3.923 -3.456 1.00 1.00 N ATOM 246 CA SER A 16 13.696 5.027 -2.535 1.00 1.00 C ATOM 247 C SER A 16 13.647 4.695 -1.033 1.00 1.00 C ATOM 248 O SER A 16 14.299 5.401 -0.267 1.00 1.00 O ATOM 249 CB SER A 16 12.719 6.141 -2.877 1.00 1.00 C ATOM 250 OG SER A 16 12.579 6.439 -4.264 1.00 1.00 O ATOM 0 H SER A 16 14.305 3.883 -4.114 1.00 1.00 H new ATOM 0 HA SER A 16 14.727 5.347 -2.685 1.00 1.00 H new ATOM 0 HB2 SER A 16 11.739 5.873 -2.481 1.00 1.00 H new ATOM 0 HB3 SER A 16 13.035 7.047 -2.360 1.00 1.00 H new ATOM 0 HG SER A 16 11.930 7.164 -4.379 1.00 1.00 H new ATOM 256 N GLY A 17 12.931 3.653 -0.598 1.00 1.00 N ATOM 257 CA GLY A 17 12.605 3.398 0.803 1.00 1.00 C ATOM 258 C GLY A 17 11.193 3.825 1.183 1.00 1.00 C ATOM 259 O GLY A 17 10.885 3.994 2.366 1.00 1.00 O ATOM 0 H GLY A 17 12.554 2.947 -1.230 1.00 1.00 H new ATOM 0 HA2 GLY A 17 12.722 2.334 1.008 1.00 1.00 H new ATOM 0 HA3 GLY A 17 13.319 3.925 1.436 1.00 1.00 H new ATOM 263 N ARG A 18 10.327 4.036 0.189 1.00 1.00 N ATOM 264 CA ARG A 18 8.945 4.409 0.435 1.00 1.00 C ATOM 265 C ARG A 18 8.228 3.307 1.178 1.00 1.00 C ATOM 266 O ARG A 18 8.474 2.116 0.970 1.00 1.00 O ATOM 267 CB ARG A 18 8.200 4.594 -0.884 1.00 1.00 C ATOM 268 CG ARG A 18 8.665 5.746 -1.794 1.00 1.00 C ATOM 269 CD ARG A 18 7.949 7.079 -1.535 1.00 1.00 C ATOM 270 NE ARG A 18 8.396 7.746 -0.301 1.00 1.00 N ATOM 271 CZ ARG A 18 7.943 8.926 0.143 1.00 1.00 C ATOM 272 NH1 ARG A 18 7.029 9.615 -0.529 1.00 1.00 N ATOM 273 NH2 ARG A 18 8.420 9.429 1.275 1.00 1.00 N ATOM 0 H ARG A 18 10.568 3.952 -0.799 1.00 1.00 H new ATOM 0 HA ARG A 18 8.957 5.333 1.013 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.275 3.665 -1.449 1.00 1.00 H new ATOM 0 HB3 ARG A 18 7.144 4.745 -0.658 1.00 1.00 H new ATOM 0 HG2 ARG A 18 9.737 5.890 -1.660 1.00 1.00 H new ATOM 0 HG3 ARG A 18 8.509 5.459 -2.834 1.00 1.00 H new ATOM 0 HD2 ARG A 18 8.117 7.745 -2.382 1.00 1.00 H new ATOM 0 HD3 ARG A 18 6.875 6.902 -1.476 1.00 1.00 H new ATOM 0 HE ARG A 18 9.105 7.273 0.259 1.00 1.00 H new ATOM 0 HH11 ARG A 18 6.656 9.248 -1.404 1.00 1.00 H new ATOM 0 HH12 ARG A 18 6.700 10.511 -0.170 1.00 1.00 H new ATOM 0 HH21 ARG A 18 9.128 8.918 1.802 1.00 1.00 H new ATOM 0 HH22 ARG A 18 8.079 10.327 1.618 1.00 1.00 H new ATOM 287 N VAL A 19 7.209 3.749 1.891 1.00 1.00 N ATOM 288 CA VAL A 19 6.174 2.937 2.480 1.00 1.00 C ATOM 289 C VAL A 19 5.011 2.953 1.475 1.00 1.00 C ATOM 290 O VAL A 19 3.943 3.516 1.712 1.00 1.00 O ATOM 291 CB VAL A 19 5.960 3.412 3.944 1.00 1.00 C ATOM 292 CG1 VAL A 19 4.958 4.545 4.188 1.00 1.00 C ATOM 293 CG2 VAL A 19 5.552 2.263 4.876 1.00 1.00 C ATOM 0 H VAL A 19 7.079 4.742 2.082 1.00 1.00 H new ATOM 0 HA VAL A 19 6.386 1.878 2.625 1.00 1.00 H new ATOM 0 HB VAL A 19 6.950 3.810 4.166 1.00 1.00 H new ATOM 0 HG11 VAL A 19 4.914 4.769 5.254 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.275 5.434 3.643 1.00 1.00 H new ATOM 0 HG13 VAL A 19 3.971 4.239 3.841 1.00 1.00 H new ATOM 0 HG21 VAL A 19 5.415 2.646 5.887 1.00 1.00 H new ATOM 0 HG22 VAL A 19 4.619 1.823 4.524 1.00 1.00 H new ATOM 0 HG23 VAL A 19 6.333 1.502 4.879 1.00 1.00 H new ATOM 303 N TYR A 20 5.241 2.402 0.274 1.00 1.00 N ATOM 304 CA TYR A 20 4.111 2.049 -0.580 1.00 1.00 C ATOM 305 C TYR A 20 3.283 1.022 0.197 1.00 1.00 C ATOM 306 O TYR A 20 3.811 0.132 0.872 1.00 1.00 O ATOM 307 CB TYR A 20 4.503 1.615 -2.012 1.00 1.00 C ATOM 308 CG TYR A 20 5.079 0.228 -2.258 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.763 -0.461 -1.251 1.00 1.00 C ATOM 310 CD2 TYR A 20 4.879 -0.408 -3.496 1.00 1.00 C ATOM 311 CE1 TYR A 20 6.177 -1.786 -1.435 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.267 -1.749 -3.678 1.00 1.00 C ATOM 313 CZ TYR A 20 5.931 -2.443 -2.653 1.00 1.00 C ATOM 314 OH TYR A 20 6.342 -3.726 -2.846 1.00 1.00 O ATOM 0 H TYR A 20 6.163 2.199 -0.112 1.00 1.00 H new ATOM 0 HA TYR A 20 3.506 2.931 -0.787 1.00 1.00 H new ATOM 0 HB2 TYR A 20 3.613 1.711 -2.634 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.230 2.338 -2.382 1.00 1.00 H new ATOM 0 HD1 TYR A 20 5.975 0.037 -0.316 1.00 1.00 H new ATOM 0 HD2 TYR A 20 4.425 0.135 -4.312 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.688 -2.305 -0.638 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.053 -2.247 -4.612 1.00 1.00 H new ATOM 0 HH TYR A 20 6.086 -4.020 -3.745 1.00 1.00 H new ATOM 324 N TYR A 21 1.975 1.206 0.212 1.00 1.00 N ATOM 325 CA TYR A 21 1.103 0.258 0.863 1.00 1.00 C ATOM 326 C TYR A 21 0.995 -0.933 -0.077 1.00 1.00 C ATOM 327 O TYR A 21 1.241 -0.799 -1.279 1.00 1.00 O ATOM 328 CB TYR A 21 -0.239 0.924 1.178 1.00 1.00 C ATOM 329 CG TYR A 21 -0.200 2.190 2.018 1.00 1.00 C ATOM 330 CD1 TYR A 21 0.985 2.709 2.570 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.417 2.785 2.379 1.00 1.00 C ATOM 332 CE1 TYR A 21 0.951 3.885 3.317 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.455 3.937 3.191 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.253 4.555 3.579 1.00 1.00 C ATOM 335 OH TYR A 21 -0.260 5.712 4.297 1.00 1.00 O ATOM 0 H TYR A 21 1.500 2.000 -0.218 1.00 1.00 H new ATOM 0 HA TYR A 21 1.485 -0.086 1.824 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -0.731 1.159 0.234 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -0.866 0.196 1.692 1.00 1.00 H new ATOM 0 HD1 TYR A 21 1.922 2.196 2.415 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -2.343 2.353 2.029 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.874 4.290 3.704 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.403 4.343 3.513 1.00 1.00 H new ATOM 0 HH TYR A 21 0.584 6.190 4.156 1.00 1.00 H new ATOM 345 N PHE A 22 0.614 -2.090 0.450 1.00 1.00 N ATOM 346 CA PHE A 22 0.375 -3.282 -0.336 1.00 1.00 C ATOM 347 C PHE A 22 -0.873 -3.970 0.214 1.00 1.00 C ATOM 348 O PHE A 22 -1.025 -4.105 1.428 1.00 1.00 O ATOM 349 CB PHE A 22 1.652 -4.136 -0.371 1.00 1.00 C ATOM 350 CG PHE A 22 1.449 -5.636 -0.464 1.00 1.00 C ATOM 351 CD1 PHE A 22 1.135 -6.377 0.695 1.00 1.00 C ATOM 352 CD2 PHE A 22 1.553 -6.293 -1.704 1.00 1.00 C ATOM 353 CE1 PHE A 22 0.903 -7.760 0.609 1.00 1.00 C ATOM 354 CE2 PHE A 22 1.337 -7.678 -1.785 1.00 1.00 C ATOM 355 CZ PHE A 22 1.015 -8.412 -0.631 1.00 1.00 C ATOM 0 H PHE A 22 0.462 -2.223 1.450 1.00 1.00 H new ATOM 0 HA PHE A 22 0.162 -3.065 -1.383 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.254 -3.818 -1.222 1.00 1.00 H new ATOM 0 HB3 PHE A 22 2.232 -3.923 0.527 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.073 -5.879 1.651 1.00 1.00 H new ATOM 0 HD2 PHE A 22 1.799 -5.732 -2.593 1.00 1.00 H new ATOM 0 HE1 PHE A 22 0.639 -8.321 1.494 1.00 1.00 H new ATOM 0 HE2 PHE A 22 1.419 -8.181 -2.737 1.00 1.00 H new ATOM 0 HZ PHE A 22 0.853 -9.478 -0.697 1.00 1.00 H new ATOM 365 N ASN A 23 -1.797 -4.318 -0.677 1.00 1.00 N ATOM 366 CA ASN A 23 -2.998 -5.090 -0.404 1.00 1.00 C ATOM 367 C ASN A 23 -2.689 -6.552 -0.433 1.00 1.00 C ATOM 368 O ASN A 23 -1.750 -6.971 -1.111 1.00 1.00 O ATOM 369 CB ASN A 23 -4.140 -4.752 -1.376 1.00 1.00 C ATOM 370 CG ASN A 23 -4.557 -5.652 -2.541 1.00 1.00 C ATOM 371 OD1 ASN A 23 -4.187 -6.802 -2.691 1.00 1.00 O ATOM 372 ND2 ASN A 23 -5.417 -5.158 -3.414 1.00 1.00 N ATOM 0 H ASN A 23 -1.721 -4.054 -1.659 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.343 -4.820 0.594 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -5.031 -4.611 -0.764 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.895 -3.783 -1.811 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -5.751 -5.737 -4.185 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -5.747 -4.198 -3.317 1.00 1.00 H new ATOM 379 N HIS A 24 -3.586 -7.312 0.185 1.00 1.00 N ATOM 380 CA HIS A 24 -3.547 -8.747 0.077 1.00 1.00 C ATOM 381 C HIS A 24 -4.656 -9.343 -0.777 1.00 1.00 C ATOM 382 O HIS A 24 -4.527 -10.482 -1.223 1.00 1.00 O ATOM 383 CB HIS A 24 -3.577 -9.339 1.482 1.00 1.00 C ATOM 384 CG HIS A 24 -4.728 -8.863 2.332 1.00 1.00 C ATOM 385 ND1 HIS A 24 -4.624 -7.970 3.372 1.00 1.00 N ATOM 386 CD2 HIS A 24 -6.059 -9.160 2.175 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.863 -7.738 3.818 1.00 1.00 C ATOM 388 NE2 HIS A 24 -6.772 -8.444 3.134 1.00 1.00 N ATOM 0 H HIS A 24 -4.344 -6.949 0.763 1.00 1.00 H new ATOM 0 HA HIS A 24 -2.623 -9.005 -0.441 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -3.623 -10.425 1.405 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -2.642 -9.094 1.987 1.00 1.00 H new ATOM 0 HD1 HIS A 24 -3.763 -7.561 3.735 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -6.479 -9.830 1.439 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -6.101 -7.065 4.629 1.00 1.00 H new ATOM 396 N ILE A 25 -5.741 -8.602 -0.998 1.00 1.00 N ATOM 397 CA ILE A 25 -6.934 -9.105 -1.660 1.00 1.00 C ATOM 398 C ILE A 25 -6.561 -9.608 -3.050 1.00 1.00 C ATOM 399 O ILE A 25 -6.862 -10.753 -3.390 1.00 1.00 O ATOM 400 CB ILE A 25 -8.023 -8.015 -1.718 1.00 1.00 C ATOM 401 CG1 ILE A 25 -8.264 -7.354 -0.332 1.00 1.00 C ATOM 402 CG2 ILE A 25 -9.311 -8.583 -2.325 1.00 1.00 C ATOM 403 CD1 ILE A 25 -7.813 -5.899 -0.400 1.00 1.00 C ATOM 0 H ILE A 25 -5.813 -7.624 -0.717 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.347 -9.938 -1.091 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.669 -7.217 -2.371 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.319 -7.411 -0.065 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -7.710 -7.886 0.442 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -10.072 -7.803 -2.360 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -9.111 -8.940 -3.335 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.668 -9.411 -1.712 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -7.976 -5.422 0.566 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.753 -5.858 -0.650 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.387 -5.376 -1.165 1.00 1.00 H new ATOM 415 N THR A 26 -5.891 -8.765 -3.834 1.00 1.00 N ATOM 416 CA THR A 26 -5.506 -9.062 -5.201 1.00 1.00 C ATOM 417 C THR A 26 -3.981 -9.227 -5.343 1.00 1.00 C ATOM 418 O THR A 26 -3.490 -9.717 -6.364 1.00 1.00 O ATOM 419 CB THR A 26 -6.081 -7.982 -6.132 1.00 1.00 C ATOM 420 OG1 THR A 26 -5.559 -6.708 -5.825 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.608 -7.857 -6.045 1.00 1.00 C ATOM 0 H THR A 26 -5.597 -7.839 -3.524 1.00 1.00 H new ATOM 0 HA THR A 26 -5.927 -10.023 -5.495 1.00 1.00 H new ATOM 0 HB THR A 26 -5.795 -8.303 -7.134 1.00 1.00 H new ATOM 0 HG1 THR A 26 -6.239 -6.025 -6.002 1.00 1.00 H new ATOM 0 HG21 THR A 26 -7.949 -7.078 -6.727 1.00 1.00 H new ATOM 0 HG22 THR A 26 -8.067 -8.806 -6.321 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.894 -7.598 -5.026 1.00 1.00 H new ATOM 429 N ASN A 27 -3.245 -8.875 -4.282 1.00 1.00 N ATOM 430 CA ASN A 27 -1.827 -8.528 -4.201 1.00 1.00 C ATOM 431 C ASN A 27 -1.545 -7.334 -5.107 1.00 1.00 C ATOM 432 O ASN A 27 -1.347 -7.495 -6.311 1.00 1.00 O ATOM 433 CB ASN A 27 -0.885 -9.713 -4.449 1.00 1.00 C ATOM 434 CG ASN A 27 -1.139 -10.860 -3.488 1.00 1.00 C ATOM 435 OD1 ASN A 27 -0.452 -11.009 -2.482 1.00 1.00 O ATOM 436 ND2 ASN A 27 -2.108 -11.717 -3.761 1.00 1.00 N ATOM 0 H ASN A 27 -3.679 -8.822 -3.361 1.00 1.00 H new ATOM 0 HA ASN A 27 -1.610 -8.240 -3.172 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -1.009 -10.065 -5.473 1.00 1.00 H new ATOM 0 HB3 ASN A 27 0.148 -9.380 -4.350 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -2.285 -12.503 -3.135 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -2.678 -11.592 -4.597 1.00 1.00 H new ATOM 443 N ALA A 28 -1.570 -6.129 -4.541 1.00 1.00 N ATOM 444 CA ALA A 28 -1.421 -4.856 -5.246 1.00 1.00 C ATOM 445 C ALA A 28 -0.601 -3.900 -4.380 1.00 1.00 C ATOM 446 O ALA A 28 -0.462 -4.166 -3.189 1.00 1.00 O ATOM 447 CB ALA A 28 -2.821 -4.277 -5.483 1.00 1.00 C ATOM 0 H ALA A 28 -1.700 -6.007 -3.537 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.911 -4.998 -6.199 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.737 -3.326 -6.008 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -3.406 -4.973 -6.084 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -3.317 -4.120 -4.525 1.00 1.00 H new ATOM 453 N SER A 29 -0.134 -2.766 -4.915 1.00 1.00 N ATOM 454 CA SER A 29 0.518 -1.717 -4.121 1.00 1.00 C ATOM 455 C SER A 29 0.143 -0.308 -4.601 1.00 1.00 C ATOM 456 O SER A 29 -0.467 -0.177 -5.673 1.00 1.00 O ATOM 457 CB SER A 29 2.041 -1.905 -4.107 1.00 1.00 C ATOM 458 OG SER A 29 2.528 -2.165 -5.416 1.00 1.00 O ATOM 0 H SER A 29 -0.197 -2.549 -5.910 1.00 1.00 H new ATOM 0 HA SER A 29 0.150 -1.815 -3.100 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.519 -1.011 -3.707 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.304 -2.730 -3.445 1.00 1.00 H new ATOM 0 HG SER A 29 3.430 -1.792 -5.510 1.00 1.00 H new ATOM 464 N GLN A 30 0.477 0.737 -3.824 1.00 1.00 N ATOM 465 CA GLN A 30 0.207 2.146 -4.149 1.00 1.00 C ATOM 466 C GLN A 30 0.864 3.076 -3.119 1.00 1.00 C ATOM 467 O GLN A 30 1.245 2.633 -2.037 1.00 1.00 O ATOM 468 CB GLN A 30 -1.315 2.408 -4.175 1.00 1.00 C ATOM 469 CG GLN A 30 -1.841 2.862 -5.548 1.00 1.00 C ATOM 470 CD GLN A 30 -1.890 4.382 -5.740 1.00 1.00 C ATOM 471 OE1 GLN A 30 -1.189 5.145 -5.080 1.00 1.00 O ATOM 472 NE2 GLN A 30 -2.732 4.862 -6.642 1.00 1.00 N ATOM 0 H GLN A 30 0.954 0.621 -2.930 1.00 1.00 H new ATOM 0 HA GLN A 30 0.628 2.351 -5.133 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -1.837 1.498 -3.879 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -1.556 3.169 -3.433 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -1.210 2.431 -6.325 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -2.843 2.458 -5.690 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -3.312 4.225 -7.188 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -2.800 5.869 -6.791 1.00 1.00 H new ATOM 481 N TRP A 31 0.931 4.377 -3.408 1.00 1.00 N ATOM 482 CA TRP A 31 1.400 5.405 -2.479 1.00 1.00 C ATOM 483 C TRP A 31 0.265 5.972 -1.624 1.00 1.00 C ATOM 484 O TRP A 31 0.523 6.443 -0.515 1.00 1.00 O ATOM 485 CB TRP A 31 2.001 6.583 -3.254 1.00 1.00 C ATOM 486 CG TRP A 31 2.785 6.228 -4.471 1.00 1.00 C ATOM 487 CD1 TRP A 31 2.397 6.465 -5.741 1.00 1.00 C ATOM 488 CD2 TRP A 31 4.048 5.513 -4.557 1.00 1.00 C ATOM 489 NE1 TRP A 31 3.346 5.965 -6.603 1.00 1.00 N ATOM 490 CE2 TRP A 31 4.353 5.314 -5.933 1.00 1.00 C ATOM 491 CE3 TRP A 31 4.941 4.975 -3.612 1.00 1.00 C ATOM 492 CZ2 TRP A 31 5.456 4.563 -6.357 1.00 1.00 C ATOM 493 CZ3 TRP A 31 6.061 4.237 -4.027 1.00 1.00 C ATOM 494 CH2 TRP A 31 6.307 4.011 -5.391 1.00 1.00 C ATOM 0 H TRP A 31 0.654 4.753 -4.315 1.00 1.00 H new ATOM 0 HA TRP A 31 2.139 4.924 -1.838 1.00 1.00 H new ATOM 0 HB2 TRP A 31 1.191 7.250 -3.549 1.00 1.00 H new ATOM 0 HB3 TRP A 31 2.647 7.145 -2.580 1.00 1.00 H new ATOM 0 HD1 TRP A 31 1.487 6.967 -6.034 1.00 1.00 H new ATOM 0 HE1 TRP A 31 3.306 6.066 -7.617 1.00 1.00 H new ATOM 0 HE3 TRP A 31 4.763 5.131 -2.558 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.647 4.412 -7.409 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 6.741 3.839 -3.289 1.00 1.00 H new ATOM 0 HH2 TRP A 31 7.152 3.412 -5.695 1.00 1.00 H new ATOM 505 N GLU A 32 -0.950 6.031 -2.183 1.00 1.00 N ATOM 506 CA GLU A 32 -2.140 6.627 -1.574 1.00 1.00 C ATOM 507 C GLU A 32 -2.581 5.857 -0.315 1.00 1.00 C ATOM 508 O GLU A 32 -1.956 4.866 0.058 1.00 1.00 O ATOM 509 CB GLU A 32 -3.248 6.705 -2.637 1.00 1.00 C ATOM 510 CG GLU A 32 -3.204 7.972 -3.494 1.00 1.00 C ATOM 511 CD GLU A 32 -4.357 8.001 -4.498 1.00 1.00 C ATOM 512 OE1 GLU A 32 -5.489 7.571 -4.173 1.00 1.00 O ATOM 513 OE2 GLU A 32 -4.146 8.457 -5.645 1.00 1.00 O ATOM 0 H GLU A 32 -1.136 5.648 -3.110 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.911 7.636 -1.232 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.172 5.835 -3.290 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.217 6.648 -2.141 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.256 8.851 -2.851 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.254 8.022 -4.026 1.00 1.00 H new ATOM 520 N ARG A 33 -3.637 6.319 0.372 1.00 1.00 N ATOM 521 CA ARG A 33 -4.000 5.866 1.716 1.00 1.00 C ATOM 522 C ARG A 33 -5.462 5.393 1.824 1.00 1.00 C ATOM 523 O ARG A 33 -6.353 6.191 1.533 1.00 1.00 O ATOM 524 CB ARG A 33 -3.593 6.905 2.773 1.00 1.00 C ATOM 525 CG ARG A 33 -3.921 8.377 2.470 1.00 1.00 C ATOM 526 CD ARG A 33 -3.314 9.237 3.585 1.00 1.00 C ATOM 527 NE ARG A 33 -3.317 10.676 3.283 1.00 1.00 N ATOM 528 CZ ARG A 33 -2.365 11.356 2.633 1.00 1.00 C ATOM 529 NH1 ARG A 33 -1.404 10.729 1.964 1.00 1.00 N ATOM 530 NH2 ARG A 33 -2.365 12.682 2.668 1.00 1.00 N ATOM 0 H ARG A 33 -4.269 7.028 0.001 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.422 4.967 1.928 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -4.075 6.638 3.713 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -2.518 6.823 2.931 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -3.514 8.666 1.501 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -5.000 8.524 2.419 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -3.869 9.066 4.508 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -2.289 8.914 3.765 1.00 1.00 H new ATOM 0 HE ARG A 33 -4.126 11.210 3.601 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -1.382 9.710 1.939 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -0.688 11.267 1.476 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -3.088 13.178 3.189 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -1.642 13.205 2.174 1.00 1.00 H new ATOM 544 N PRO A 34 -5.724 4.110 2.156 1.00 1.00 N ATOM 545 CA PRO A 34 -7.030 3.505 1.970 1.00 1.00 C ATOM 546 C PRO A 34 -8.164 3.897 2.895 1.00 1.00 C ATOM 547 O PRO A 34 -7.990 4.557 3.921 1.00 1.00 O ATOM 548 CB PRO A 34 -6.836 1.993 2.087 1.00 1.00 C ATOM 549 CG PRO A 34 -5.367 1.693 2.218 1.00 1.00 C ATOM 550 CD PRO A 34 -4.724 3.064 2.314 1.00 1.00 C ATOM 0 HA PRO A 34 -7.361 3.878 1.001 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -7.376 1.611 2.953 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.245 1.492 1.209 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.159 1.091 3.103 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.994 1.136 1.358 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.226 3.172 3.278 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -3.957 3.167 1.546 1.00 1.00 H new ATOM 558 N SER A 35 -9.303 3.302 2.528 1.00 1.00 N ATOM 559 CA SER A 35 -10.485 3.057 3.319 1.00 1.00 C ATOM 560 C SER A 35 -11.229 4.359 3.539 1.00 1.00 C ATOM 561 O SER A 35 -11.131 4.983 4.599 1.00 1.00 O ATOM 562 CB SER A 35 -10.126 2.281 4.593 1.00 1.00 C ATOM 563 OG SER A 35 -11.293 1.820 5.250 1.00 1.00 O ATOM 0 H SER A 35 -9.418 2.951 1.577 1.00 1.00 H new ATOM 0 HA SER A 35 -11.182 2.408 2.789 1.00 1.00 H new ATOM 0 HB2 SER A 35 -9.488 1.434 4.340 1.00 1.00 H new ATOM 0 HB3 SER A 35 -9.555 2.921 5.265 1.00 1.00 H new ATOM 0 HG SER A 35 -11.040 1.327 6.058 1.00 1.00 H new ATOM 569 N GLY A 36 -11.971 4.757 2.510 1.00 1.00 N ATOM 570 CA GLY A 36 -12.843 5.914 2.532 1.00 1.00 C ATOM 571 C GLY A 36 -14.187 5.441 2.055 1.00 1.00 C ATOM 572 O GLY A 36 -14.281 4.997 0.892 1.00 1.00 O ATOM 573 OXT GLY A 36 -15.126 5.433 2.875 1.00 1.00 O ATOM 0 H GLY A 36 -11.978 4.266 1.616 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -12.912 6.329 3.537 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.457 6.703 1.887 1.00 1.00 H new TER 577 GLY A 36