USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 118 hydrogens (4 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 NoAdj : B 16 ASNHD21 : B 16 ASN OD1 : B 70 CACA :(metal ligand) USER MOD NoAdj : B 16 ASNHD22 : B 16 ASN OD1 : B 70 CACA :(metal ligand) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : A 16 ASN : amide:sc= -1.62 K(o=-1.6,f=-9.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 55:sc= 0.426 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 8 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= -2.33! (180deg=-2.33!) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 27:sc= 0.797 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 -2.276 -13.515 10.781 1.00 0.00 C HETATM 2 O ACE A 0 -1.521 -12.754 10.221 1.00 0.00 O HETATM 3 CH3 ACE A 0 -2.649 -13.434 12.260 1.00 0.00 C HETATM 0 H1 ACE A 0 -3.726 -13.295 12.357 1.00 0.00 H new HETATM 0 H2 ACE A 0 -2.356 -14.357 12.760 1.00 0.00 H new HETATM 0 H3 ACE A 0 -2.132 -12.592 12.720 1.00 0.00 H new ATOM 4 N LYS A 1 -2.683 -14.568 10.116 1.00 0.00 N ATOM 5 CA LYS A 1 -2.043 -15.785 9.577 1.00 0.00 C ATOM 6 C LYS A 1 -1.229 -15.535 8.301 1.00 0.00 C ATOM 7 O LYS A 1 -1.699 -14.931 7.338 1.00 0.00 O ATOM 8 CB LYS A 1 -3.102 -16.843 9.258 1.00 0.00 C ATOM 9 CG LYS A 1 -3.905 -17.292 10.481 1.00 0.00 C ATOM 10 CD LYS A 1 -4.947 -18.327 10.062 1.00 0.00 C ATOM 11 CE LYS A 1 -5.896 -18.661 11.207 1.00 0.00 C ATOM 12 NZ LYS A 1 -6.879 -19.635 10.740 1.00 0.00 N ATOM 0 H LYS A 1 -3.676 -14.611 9.887 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.359 -16.125 10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.787 -16.445 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.615 -17.711 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.237 -17.717 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.395 -16.434 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.518 -17.948 9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.445 -19.235 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.339 -19.064 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.397 -17.758 11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.531 -19.869 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.416 -19.233 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.391 -20.498 10.426 1.00 0.00 H new ATOM 17 N SER A 2 -0.004 -16.056 8.304 1.00 0.00 N ATOM 18 CA SER A 2 0.902 -16.062 7.133 1.00 0.00 C ATOM 19 C SER A 2 0.324 -16.843 5.946 1.00 0.00 C ATOM 20 O SER A 2 -0.555 -17.695 6.120 1.00 0.00 O ATOM 21 CB SER A 2 2.237 -16.689 7.549 1.00 0.00 C ATOM 22 OG SER A 2 2.759 -15.985 8.675 1.00 0.00 O ATOM 0 H SER A 2 0.404 -16.496 9.129 1.00 0.00 H new ATOM 0 HA SER A 2 1.035 -15.030 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.096 -17.741 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.944 -16.649 6.721 1.00 0.00 H new ATOM 0 HG SER A 2 3.612 -16.385 8.944 1.00 0.00 H new ATOM 25 N GLU A 3 0.766 -16.449 4.751 1.00 0.00 N ATOM 26 CA GLU A 3 0.316 -16.958 3.432 1.00 0.00 C ATOM 27 C GLU A 3 -1.072 -16.406 3.036 1.00 0.00 C ATOM 28 O GLU A 3 -1.282 -15.987 1.906 1.00 0.00 O ATOM 29 CB GLU A 3 0.385 -18.484 3.273 1.00 0.00 C ATOM 30 CG GLU A 3 1.783 -19.080 3.515 1.00 0.00 C ATOM 31 CD GLU A 3 2.846 -18.608 2.509 1.00 0.00 C ATOM 32 OE1 GLU A 3 2.983 -19.265 1.461 1.00 0.00 O ATOM 33 OE2 GLU A 3 3.541 -17.616 2.847 1.00 0.00 O ATOM 0 H GLU A 3 1.484 -15.730 4.660 1.00 0.00 H new ATOM 0 HA GLU A 3 1.049 -16.567 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.319 -18.943 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.058 -18.749 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.109 -18.819 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.716 -20.167 3.474 1.00 0.00 H new ATOM 35 N GLU A 4 -1.971 -16.361 4.016 1.00 0.00 N ATOM 36 CA GLU A 4 -3.187 -15.535 3.999 1.00 0.00 C ATOM 37 C GLU A 4 -2.786 -14.041 3.976 1.00 0.00 C ATOM 38 O GLU A 4 -3.295 -13.251 3.171 1.00 0.00 O ATOM 39 CB GLU A 4 -4.022 -15.881 5.246 1.00 0.00 C ATOM 40 CG GLU A 4 -5.373 -15.186 5.317 1.00 0.00 C ATOM 41 CD GLU A 4 -6.174 -15.675 6.530 1.00 0.00 C ATOM 42 OE1 GLU A 4 -5.929 -15.144 7.633 1.00 0.00 O ATOM 43 OE2 GLU A 4 -6.965 -16.628 6.330 1.00 0.00 O ATOM 0 H GLU A 4 -1.876 -16.911 4.870 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.787 -15.732 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.181 -16.959 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.448 -15.621 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.229 -14.107 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.935 -15.379 4.403 1.00 0.00 H new ATOM 45 N GLU A 5 -1.921 -13.667 4.913 1.00 0.00 N ATOM 46 CA GLU A 5 -1.126 -12.434 4.887 1.00 0.00 C ATOM 47 C GLU A 5 0.166 -12.651 4.059 1.00 0.00 C ATOM 48 O GLU A 5 0.883 -13.632 4.275 1.00 0.00 O ATOM 49 CB GLU A 5 -0.758 -11.998 6.314 1.00 0.00 C ATOM 50 CG GLU A 5 -1.850 -11.164 7.002 1.00 0.00 C ATOM 51 CD GLU A 5 -3.240 -11.812 7.016 1.00 0.00 C ATOM 52 OE1 GLU A 5 -3.474 -12.671 7.893 1.00 0.00 O ATOM 53 OE2 GLU A 5 -4.031 -11.443 6.118 1.00 0.00 O ATOM 0 H GLU A 5 -1.744 -14.232 5.744 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.724 -11.650 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.556 -12.884 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.164 -11.418 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.545 -10.969 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.920 -10.198 6.501 1.00 0.00 H new ATOM 55 N LEU A 6 0.552 -11.748 3.172 1.00 0.00 N ATOM 56 CA LEU A 6 -0.028 -10.409 2.918 1.00 0.00 C ATOM 57 C LEU A 6 -1.319 -10.259 2.100 1.00 0.00 C ATOM 58 O LEU A 6 -2.013 -9.259 2.277 1.00 0.00 O ATOM 59 CB LEU A 6 1.038 -9.495 2.289 1.00 0.00 C ATOM 60 CG LEU A 6 2.192 -9.167 3.236 1.00 0.00 C ATOM 61 CD1 LEU A 6 3.357 -8.591 2.431 1.00 0.00 C ATOM 62 CD2 LEU A 6 1.756 -8.202 4.342 1.00 0.00 C ATOM 0 H LEU A 6 1.342 -11.933 2.554 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.346 -10.132 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.436 -9.976 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.566 -8.566 1.968 1.00 0.00 H new ATOM 0 HG LEU A 6 2.514 -10.085 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.182 -8.356 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.687 -9.323 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.034 -7.683 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.602 -7.992 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.403 -7.273 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.952 -8.654 4.923 1.00 0.00 H new ATOM 64 N ALA A 7 -1.673 -11.295 1.341 1.00 0.00 N ATOM 65 CA ALA A 7 -2.780 -11.283 0.375 1.00 0.00 C ATOM 66 C ALA A 7 -4.074 -10.583 0.836 1.00 0.00 C ATOM 67 O ALA A 7 -4.520 -9.618 0.226 1.00 0.00 O ATOM 68 CB ALA A 7 -3.110 -12.709 -0.079 1.00 0.00 C ATOM 0 H ALA A 7 -1.188 -12.191 1.379 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.404 -10.678 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.932 -12.682 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.233 -13.153 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.400 -13.308 0.784 1.00 0.00 H new ATOM 70 N ASN A 8 -4.531 -10.939 2.035 1.00 0.00 N ATOM 71 CA ASN A 8 -5.759 -10.413 2.633 1.00 0.00 C ATOM 72 C ASN A 8 -5.704 -8.926 3.055 1.00 0.00 C ATOM 73 O ASN A 8 -6.566 -8.157 2.649 1.00 0.00 O ATOM 74 CB ASN A 8 -6.164 -11.316 3.796 1.00 0.00 C ATOM 75 CG ASN A 8 -6.881 -12.574 3.307 1.00 0.00 C ATOM 76 OD1 ASN A 8 -7.991 -12.893 3.700 1.00 0.00 O ATOM 77 ND2 ASN A 8 -6.214 -13.398 2.520 1.00 0.00 N ATOM 0 H ASN A 8 -4.050 -11.614 2.630 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.519 -10.426 1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.278 -11.599 4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.815 -10.766 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.628 -14.290 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.285 -13.143 2.185 1.00 0.00 H new ATOM 81 N ALA A 9 -4.610 -8.517 3.701 1.00 0.00 N ATOM 82 CA ALA A 9 -4.355 -7.109 4.045 1.00 0.00 C ATOM 83 C ALA A 9 -4.378 -6.148 2.848 1.00 0.00 C ATOM 84 O ALA A 9 -5.181 -5.219 2.811 1.00 0.00 O ATOM 85 CB ALA A 9 -3.028 -6.996 4.804 1.00 0.00 C ATOM 0 H ALA A 9 -3.871 -9.152 4.003 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.184 -6.794 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.842 -5.952 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.080 -7.588 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.217 -7.367 4.177 1.00 0.00 H new ATOM 87 N PHE A 10 -3.748 -6.640 1.789 1.00 0.00 N ATOM 88 CA PHE A 10 -3.695 -6.027 0.453 1.00 0.00 C ATOM 89 C PHE A 10 -5.096 -5.723 -0.084 1.00 0.00 C ATOM 90 O PHE A 10 -5.504 -4.567 -0.194 1.00 0.00 O ATOM 91 CB PHE A 10 -2.986 -7.013 -0.485 1.00 0.00 C ATOM 92 CG PHE A 10 -2.633 -6.462 -1.868 1.00 0.00 C ATOM 93 CD1 PHE A 10 -1.645 -5.456 -2.001 1.00 0.00 C ATOM 94 CD2 PHE A 10 -3.284 -7.006 -2.998 1.00 0.00 C ATOM 95 CE1 PHE A 10 -1.312 -4.988 -3.291 1.00 0.00 C ATOM 96 CE2 PHE A 10 -2.945 -6.544 -4.282 1.00 0.00 C ATOM 97 CZ PHE A 10 -1.957 -5.538 -4.415 1.00 0.00 C ATOM 0 H PHE A 10 -3.233 -7.519 1.833 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.157 -5.081 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.069 -7.352 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.622 -7.889 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.153 -5.053 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.036 -7.771 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.569 -4.214 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.432 -6.951 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.692 -5.185 -5.401 1.00 0.00 H new ATOM 99 N ARG A 11 -5.876 -6.790 -0.019 1.00 0.00 N ATOM 100 CA ARG A 11 -7.263 -6.871 -0.484 1.00 0.00 C ATOM 101 C ARG A 11 -8.321 -6.161 0.380 1.00 0.00 C ATOM 102 O ARG A 11 -9.407 -5.852 -0.079 1.00 0.00 O ATOM 103 CB ARG A 11 -7.677 -8.320 -0.789 1.00 0.00 C ATOM 104 CG ARG A 11 -6.887 -8.906 -1.974 1.00 0.00 C ATOM 105 CD ARG A 11 -7.150 -8.176 -3.297 1.00 0.00 C ATOM 106 NE ARG A 11 -8.416 -8.601 -3.916 1.00 0.00 N ATOM 107 CZ ARG A 11 -9.595 -7.953 -3.888 1.00 0.00 C ATOM 108 NH1 ARG A 11 -9.787 -6.849 -3.199 1.00 0.00 N ATOM 109 NH2 ARG A 11 -10.619 -8.442 -4.581 1.00 0.00 N ATOM 0 H ARG A 11 -5.548 -7.670 0.378 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.250 -6.293 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.516 -8.937 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.743 -8.354 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.821 -8.863 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.146 -9.958 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.176 -7.101 -3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.327 -8.366 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.398 -9.486 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.023 -6.448 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.700 -6.394 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.505 -9.298 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.519 -7.962 -4.569 1.00 0.00 H new ATOM 116 N ILE A 12 -7.926 -5.897 1.619 1.00 0.00 N ATOM 117 CA ILE A 12 -8.702 -5.049 2.542 1.00 0.00 C ATOM 118 C ILE A 12 -8.674 -3.560 2.141 1.00 0.00 C ATOM 119 O ILE A 12 -9.692 -2.887 2.020 1.00 0.00 O ATOM 120 CB ILE A 12 -8.418 -5.319 4.029 1.00 0.00 C ATOM 121 CG1 ILE A 12 -8.978 -6.692 4.421 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.941 -4.241 4.993 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.382 -7.290 5.703 1.00 0.00 C ATOM 0 H ILE A 12 -7.061 -6.260 2.021 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.742 -5.355 2.427 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.333 -5.296 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.058 -6.606 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.806 -7.387 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.694 -4.518 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.478 -3.284 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.023 -4.156 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.839 -8.260 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.306 -7.414 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.577 -6.621 6.541 1.00 0.00 H new ATOM 125 N PHE A 13 -7.443 -3.122 1.896 1.00 0.00 N ATOM 126 CA PHE A 13 -7.094 -1.774 1.423 1.00 0.00 C ATOM 127 C PHE A 13 -7.588 -1.531 -0.018 1.00 0.00 C ATOM 128 O PHE A 13 -8.004 -0.433 -0.377 1.00 0.00 O ATOM 129 CB PHE A 13 -5.567 -1.687 1.451 1.00 0.00 C ATOM 130 CG PHE A 13 -4.880 -1.886 2.810 1.00 0.00 C ATOM 131 CD1 PHE A 13 -5.447 -1.408 4.016 1.00 0.00 C ATOM 132 CD2 PHE A 13 -3.649 -2.594 2.824 1.00 0.00 C ATOM 133 CE1 PHE A 13 -4.793 -1.645 5.245 1.00 0.00 C ATOM 134 CE2 PHE A 13 -2.997 -2.842 4.043 1.00 0.00 C ATOM 135 CZ PHE A 13 -3.577 -2.366 5.244 1.00 0.00 C ATOM 0 H PHE A 13 -6.624 -3.716 2.025 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.565 -1.024 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.173 -2.433 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.277 -0.710 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.379 -0.863 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.215 -2.941 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.215 -1.281 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.066 -3.388 4.064 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.078 -2.559 6.182 1.00 0.00 H new ATOM 137 N ASP A 14 -7.361 -2.545 -0.853 1.00 0.00 N ATOM 138 CA ASP A 14 -7.761 -2.655 -2.274 1.00 0.00 C ATOM 139 C ASP A 14 -9.293 -2.749 -2.451 1.00 0.00 C ATOM 140 O ASP A 14 -9.855 -3.670 -3.032 1.00 0.00 O ATOM 141 CB ASP A 14 -7.027 -3.853 -2.878 1.00 0.00 C ATOM 142 CG ASP A 14 -7.183 -4.025 -4.395 1.00 0.00 C ATOM 143 OD1 ASP A 14 -7.959 -3.267 -5.020 1.00 0.00 O ATOM 144 OD2 ASP A 14 -6.522 -4.950 -4.917 1.00 0.00 O ATOM 0 H ASP A 14 -6.857 -3.375 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.476 -1.747 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.966 -3.761 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.382 -4.760 -2.388 1.00 0.00 H new ATOM 146 N LYS A 15 -9.880 -1.656 -2.011 1.00 0.00 N ATOM 147 CA LYS A 15 -11.325 -1.366 -2.063 1.00 0.00 C ATOM 148 C LYS A 15 -11.935 -1.289 -3.488 1.00 0.00 C ATOM 149 O LYS A 15 -13.066 -1.713 -3.679 1.00 0.00 O ATOM 150 CB LYS A 15 -11.621 -0.108 -1.272 1.00 0.00 C ATOM 151 CG LYS A 15 -11.455 -0.409 0.214 1.00 0.00 C ATOM 152 CD LYS A 15 -11.590 0.869 1.040 1.00 0.00 C ATOM 153 CE LYS A 15 -11.532 0.602 2.547 1.00 0.00 C ATOM 154 NZ LYS A 15 -12.726 -0.133 2.985 1.00 0.00 N ATOM 0 H LYS A 15 -9.348 -0.898 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.818 -2.226 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.946 0.694 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.635 0.236 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.206 -1.134 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.480 -0.862 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.794 1.561 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.534 1.357 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.636 0.029 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.460 1.546 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.774 -0.129 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.576 0.323 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.674 -1.114 2.644 1.00 0.00 H new ATOM 159 N ASN A 16 -11.196 -0.736 -4.452 1.00 0.00 N ATOM 160 CA ASN A 16 -11.626 -0.666 -5.859 1.00 0.00 C ATOM 161 C ASN A 16 -11.448 -1.968 -6.670 1.00 0.00 C ATOM 162 O ASN A 16 -11.674 -1.984 -7.876 1.00 0.00 O ATOM 163 CB ASN A 16 -10.910 0.526 -6.503 1.00 0.00 C ATOM 164 CG ASN A 16 -9.390 0.342 -6.698 1.00 0.00 C ATOM 165 OD1 ASN A 16 -8.842 -0.740 -6.543 1.00 0.00 O ATOM 166 ND2 ASN A 16 -8.715 1.399 -7.094 1.00 0.00 N ATOM 0 H ASN A 16 -10.279 -0.322 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.707 -0.527 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.365 0.724 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.078 1.409 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.714 1.326 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.192 2.292 -7.217 1.00 0.00 H new ATOM 170 N ALA A 17 -10.875 -3.003 -6.026 1.00 0.00 N ATOM 171 CA ALA A 17 -10.682 -4.371 -6.560 1.00 0.00 C ATOM 172 C ALA A 17 -9.825 -4.482 -7.838 1.00 0.00 C ATOM 173 O ALA A 17 -9.911 -5.441 -8.596 1.00 0.00 O ATOM 174 CB ALA A 17 -12.045 -5.078 -6.699 1.00 0.00 C ATOM 0 H ALA A 17 -10.517 -2.907 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.074 -4.892 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.895 -6.083 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.525 -5.138 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.680 -4.513 -7.381 1.00 0.00 H new ATOM 176 N ASP A 18 -8.781 -3.650 -7.884 1.00 0.00 N ATOM 177 CA ASP A 18 -7.867 -3.560 -9.033 1.00 0.00 C ATOM 178 C ASP A 18 -6.666 -4.530 -9.027 1.00 0.00 C ATOM 179 O ASP A 18 -5.961 -4.635 -10.024 1.00 0.00 O ATOM 180 CB ASP A 18 -7.373 -2.102 -9.207 1.00 0.00 C ATOM 181 CG ASP A 18 -6.633 -1.468 -8.027 1.00 0.00 C ATOM 182 OD1 ASP A 18 -6.481 -2.142 -6.988 1.00 0.00 O ATOM 183 OD2 ASP A 18 -6.218 -0.298 -8.178 1.00 0.00 O ATOM 0 H ASP A 18 -8.542 -3.015 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.469 -3.878 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.715 -2.070 -10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.236 -1.478 -9.439 1.00 0.00 H new ATOM 185 N GLY A 19 -6.446 -5.217 -7.906 1.00 0.00 N ATOM 186 CA GLY A 19 -5.206 -5.972 -7.624 1.00 0.00 C ATOM 187 C GLY A 19 -4.000 -5.061 -7.332 1.00 0.00 C ATOM 188 O GLY A 19 -2.856 -5.453 -7.540 1.00 0.00 O ATOM 0 H GLY A 19 -7.130 -5.271 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.373 -6.629 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.974 -6.610 -8.477 1.00 0.00 H new ATOM 190 N TYR A 20 -4.294 -3.865 -6.830 1.00 0.00 N ATOM 191 CA TYR A 20 -3.307 -2.816 -6.486 1.00 0.00 C ATOM 192 C TYR A 20 -3.797 -2.028 -5.252 1.00 0.00 C ATOM 193 O TYR A 20 -4.799 -2.368 -4.631 1.00 0.00 O ATOM 194 CB TYR A 20 -3.202 -1.809 -7.636 1.00 0.00 C ATOM 195 CG TYR A 20 -2.896 -2.392 -9.014 1.00 0.00 C ATOM 196 CD1 TYR A 20 -1.590 -2.872 -9.281 1.00 0.00 C ATOM 197 CD2 TYR A 20 -3.874 -2.324 -10.027 1.00 0.00 C ATOM 198 CE1 TYR A 20 -1.256 -3.277 -10.583 1.00 0.00 C ATOM 199 CE2 TYR A 20 -3.547 -2.737 -11.330 1.00 0.00 C ATOM 200 CZ TYR A 20 -2.246 -3.201 -11.592 1.00 0.00 C ATOM 201 OH TYR A 20 -1.903 -3.538 -12.864 1.00 0.00 O ATOM 0 H TYR A 20 -5.254 -3.578 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.348 -3.297 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.141 -1.259 -7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.425 -1.086 -7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.857 -2.926 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.865 -1.958 -9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.264 -3.639 -10.810 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.284 -2.698 -12.118 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.682 -3.439 -13.450 1.00 0.00 H new ATOM 204 N ILE A 21 -2.976 -1.070 -4.834 1.00 0.00 N ATOM 205 CA ILE A 21 -3.309 -0.022 -3.852 1.00 0.00 C ATOM 206 C ILE A 21 -2.939 1.373 -4.442 1.00 0.00 C ATOM 207 O ILE A 21 -1.902 1.530 -5.085 1.00 0.00 O ATOM 208 CB ILE A 21 -2.702 -0.337 -2.486 1.00 0.00 C ATOM 209 CG1 ILE A 21 -3.529 -1.429 -1.797 1.00 0.00 C ATOM 210 CG2 ILE A 21 -2.529 0.869 -1.541 1.00 0.00 C ATOM 211 CD1 ILE A 21 -2.714 -2.268 -0.823 1.00 0.00 C ATOM 0 H ILE A 21 -2.019 -0.992 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.382 0.006 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.687 -0.677 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.359 -0.966 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.962 -2.081 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.091 0.535 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.872 1.604 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.501 1.322 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.355 -3.023 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.900 -2.758 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.302 -1.625 -0.045 1.00 0.00 H new ATOM 213 N ASP A 22 -3.819 2.340 -4.218 1.00 0.00 N ATOM 214 CA ASP A 22 -3.651 3.771 -4.548 1.00 0.00 C ATOM 215 C ASP A 22 -3.591 4.720 -3.365 1.00 0.00 C ATOM 216 O ASP A 22 -3.887 4.344 -2.245 1.00 0.00 O ATOM 217 CB ASP A 22 -4.661 4.232 -5.597 1.00 0.00 C ATOM 218 CG ASP A 22 -5.929 3.377 -5.820 1.00 0.00 C ATOM 219 OD1 ASP A 22 -5.855 2.465 -6.676 1.00 0.00 O ATOM 220 OD2 ASP A 22 -6.948 3.688 -5.188 1.00 0.00 O ATOM 0 H ASP A 22 -4.720 2.150 -3.779 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.651 3.827 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.982 5.239 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.139 4.307 -6.551 1.00 0.00 H new ATOM 222 N ILE A 23 -3.365 5.997 -3.670 1.00 0.00 N ATOM 223 CA ILE A 23 -3.084 7.070 -2.682 1.00 0.00 C ATOM 224 C ILE A 23 -3.949 7.109 -1.398 1.00 0.00 C ATOM 225 O ILE A 23 -3.422 7.055 -0.293 1.00 0.00 O ATOM 226 CB ILE A 23 -2.983 8.428 -3.410 1.00 0.00 C ATOM 227 CG1 ILE A 23 -2.445 9.545 -2.508 1.00 0.00 C ATOM 228 CG2 ILE A 23 -4.309 8.865 -4.075 1.00 0.00 C ATOM 229 CD1 ILE A 23 -0.946 9.409 -2.236 1.00 0.00 C ATOM 0 H ILE A 23 -3.370 6.336 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.118 6.812 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.259 8.261 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.640 10.510 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.985 9.535 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.169 9.827 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.610 8.120 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.084 8.957 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.617 10.225 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.751 8.457 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.400 9.448 -3.179 1.00 0.00 H new ATOM 231 N GLU A 24 -5.272 7.050 -1.567 1.00 0.00 N ATOM 232 CA GLU A 24 -6.227 7.063 -0.444 1.00 0.00 C ATOM 233 C GLU A 24 -6.189 5.818 0.465 1.00 0.00 C ATOM 234 O GLU A 24 -6.305 5.880 1.693 1.00 0.00 O ATOM 235 CB GLU A 24 -7.670 7.391 -0.893 1.00 0.00 C ATOM 236 CG GLU A 24 -8.414 6.363 -1.757 1.00 0.00 C ATOM 237 CD GLU A 24 -7.697 6.033 -3.072 1.00 0.00 C ATOM 238 OE1 GLU A 24 -7.820 6.831 -4.019 1.00 0.00 O ATOM 239 OE2 GLU A 24 -6.849 5.117 -3.018 1.00 0.00 O ATOM 0 H GLU A 24 -5.716 6.992 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.874 7.882 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.266 7.566 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.641 8.331 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.544 5.445 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.411 6.743 -1.982 1.00 0.00 H new ATOM 241 N GLU A 25 -6.001 4.703 -0.211 1.00 0.00 N ATOM 242 CA GLU A 25 -5.742 3.354 0.306 1.00 0.00 C ATOM 243 C GLU A 25 -4.362 3.212 0.969 1.00 0.00 C ATOM 244 O GLU A 25 -4.207 2.489 1.944 1.00 0.00 O ATOM 245 CB GLU A 25 -5.852 2.435 -0.897 1.00 0.00 C ATOM 246 CG GLU A 25 -7.283 2.346 -1.438 1.00 0.00 C ATOM 247 CD GLU A 25 -7.363 1.501 -2.716 1.00 0.00 C ATOM 248 OE1 GLU A 25 -6.383 1.562 -3.484 1.00 0.00 O ATOM 249 OE2 GLU A 25 -8.430 0.885 -2.960 1.00 0.00 O ATOM 0 H GLU A 25 -6.026 4.707 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.457 3.110 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.190 2.793 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.508 1.438 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.932 1.914 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.656 3.349 -1.643 1.00 0.00 H new ATOM 251 N LEU A 26 -3.360 3.862 0.374 1.00 0.00 N ATOM 252 CA LEU A 26 -2.056 4.097 1.020 1.00 0.00 C ATOM 253 C LEU A 26 -2.253 4.829 2.349 1.00 0.00 C ATOM 254 O LEU A 26 -1.702 4.387 3.360 1.00 0.00 O ATOM 255 CB LEU A 26 -1.091 4.875 0.108 1.00 0.00 C ATOM 256 CG LEU A 26 0.303 5.009 0.756 1.00 0.00 C ATOM 257 CD1 LEU A 26 1.095 3.702 0.633 1.00 0.00 C ATOM 258 CD2 LEU A 26 1.078 6.152 0.119 1.00 0.00 C ATOM 0 H LEU A 26 -3.424 4.243 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.601 3.125 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.002 4.365 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.497 5.866 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 26 0.162 5.225 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.073 3.824 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.553 2.900 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.222 3.452 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.059 6.232 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.200 5.959 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.531 7.085 0.259 1.00 0.00 H new ATOM 260 N GLY A 27 -3.152 5.820 2.353 1.00 0.00 N ATOM 261 CA GLY A 27 -3.686 6.490 3.565 1.00 0.00 C ATOM 262 C GLY A 27 -4.037 5.495 4.688 1.00 0.00 C ATOM 263 O GLY A 27 -3.489 5.620 5.776 1.00 0.00 O ATOM 0 H GLY A 27 -3.546 6.196 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.950 7.204 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.576 7.059 3.298 1.00 0.00 H new ATOM 265 N GLU A 28 -4.808 4.461 4.361 1.00 0.00 N ATOM 266 CA GLU A 28 -5.116 3.333 5.280 1.00 0.00 C ATOM 267 C GLU A 28 -3.874 2.695 5.917 1.00 0.00 C ATOM 268 O GLU A 28 -3.730 2.713 7.132 1.00 0.00 O ATOM 269 CB GLU A 28 -5.906 2.237 4.562 1.00 0.00 C ATOM 270 CG GLU A 28 -7.327 2.621 4.153 1.00 0.00 C ATOM 271 CD GLU A 28 -7.960 1.484 3.338 1.00 0.00 C ATOM 272 OE1 GLU A 28 -8.358 0.485 3.973 1.00 0.00 O ATOM 273 OE2 GLU A 28 -7.995 1.639 2.103 1.00 0.00 O ATOM 0 H GLU A 28 -5.248 4.368 3.445 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.710 3.777 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.356 1.940 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.956 1.363 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.928 2.823 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.310 3.538 3.563 1.00 0.00 H new ATOM 275 N ILE A 29 -2.910 2.295 5.080 1.00 0.00 N ATOM 276 CA ILE A 29 -1.638 1.654 5.504 1.00 0.00 C ATOM 277 C ILE A 29 -0.826 2.652 6.363 1.00 0.00 C ATOM 278 O ILE A 29 -0.231 2.291 7.372 1.00 0.00 O ATOM 279 CB ILE A 29 -0.787 1.158 4.345 1.00 0.00 C ATOM 280 CG1 ILE A 29 -1.610 0.565 3.183 1.00 0.00 C ATOM 281 CG2 ILE A 29 0.208 0.090 4.830 1.00 0.00 C ATOM 282 CD1 ILE A 29 -0.879 0.565 1.837 1.00 0.00 C ATOM 0 H ILE A 29 -2.983 2.405 4.069 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.907 0.771 6.083 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.266 2.037 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.888 -0.459 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.536 1.131 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.810 -0.255 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.860 0.519 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.340 -0.752 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.524 0.132 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.625 1.588 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.033 -0.026 1.918 1.00 0.00 H new ATOM 284 N LEU A 30 -0.777 3.897 5.883 1.00 0.00 N ATOM 285 CA LEU A 30 -0.136 5.062 6.511 1.00 0.00 C ATOM 286 C LEU A 30 -0.746 5.563 7.827 1.00 0.00 C ATOM 287 O LEU A 30 -0.178 6.446 8.479 1.00 0.00 O ATOM 288 CB LEU A 30 -0.089 6.207 5.487 1.00 0.00 C ATOM 289 CG LEU A 30 1.318 6.542 4.955 1.00 0.00 C ATOM 290 CD1 LEU A 30 2.158 7.262 6.020 1.00 0.00 C ATOM 291 CD2 LEU A 30 2.052 5.331 4.356 1.00 0.00 C ATOM 0 H LEU A 30 -1.210 4.137 4.991 1.00 0.00 H new ATOM 0 HA LEU A 30 0.856 4.717 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.729 5.947 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.512 7.102 5.944 1.00 0.00 H new ATOM 0 HG LEU A 30 1.175 7.230 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.145 7.485 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.665 8.191 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.261 6.622 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.035 5.640 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.167 4.561 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.475 4.932 3.522 1.00 0.00 H new ATOM 293 N ARG A 31 -1.910 5.043 8.195 1.00 0.00 N ATOM 294 CA ARG A 31 -2.546 5.336 9.479 1.00 0.00 C ATOM 295 C ARG A 31 -1.882 4.504 10.586 1.00 0.00 C ATOM 296 O ARG A 31 -2.105 3.297 10.701 1.00 0.00 O ATOM 297 CB ARG A 31 -4.067 5.110 9.482 1.00 0.00 C ATOM 298 CG ARG A 31 -4.756 6.148 8.601 1.00 0.00 C ATOM 299 CD ARG A 31 -6.242 5.845 8.438 1.00 0.00 C ATOM 300 NE ARG A 31 -6.696 6.553 7.225 1.00 0.00 N ATOM 301 CZ ARG A 31 -7.769 6.241 6.481 1.00 0.00 C ATOM 302 NH1 ARG A 31 -8.653 5.332 6.864 1.00 0.00 N ATOM 303 NH2 ARG A 31 -8.014 6.934 5.382 1.00 0.00 N ATOM 0 H ARG A 31 -2.445 4.402 7.609 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.400 6.400 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.294 4.107 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.450 5.175 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.631 7.138 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.278 6.170 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.409 4.772 8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.802 6.179 9.312 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.142 7.355 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.530 4.843 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.457 5.121 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.391 7.694 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.826 6.708 4.807 1.00 0.00 H new ATOM 310 N ALA A 32 -0.845 5.113 11.137 1.00 0.00 N ATOM 311 CA ALA A 32 -0.046 4.547 12.242 1.00 0.00 C ATOM 312 C ALA A 32 -0.894 4.275 13.496 1.00 0.00 C ATOM 313 O ALA A 32 -1.046 5.104 14.398 1.00 0.00 O ATOM 314 CB ALA A 32 1.133 5.481 12.538 1.00 0.00 C ATOM 0 H ALA A 32 -0.519 6.030 10.833 1.00 0.00 H new ATOM 0 HA ALA A 32 0.339 3.575 11.932 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.728 5.069 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.754 5.576 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.756 6.463 12.824 1.00 0.00 H new ATOM 316 N THR A 33 -1.539 3.107 13.460 1.00 0.00 N ATOM 317 CA THR A 33 -2.472 2.640 14.503 1.00 0.00 C ATOM 318 C THR A 33 -1.743 2.117 15.757 1.00 0.00 C ATOM 319 O THR A 33 -1.579 0.919 15.959 1.00 0.00 O ATOM 320 CB THR A 33 -3.429 1.575 13.949 1.00 0.00 C ATOM 321 OG1 THR A 33 -2.676 0.468 13.454 1.00 0.00 O ATOM 322 CG2 THR A 33 -4.381 2.133 12.877 1.00 0.00 C ATOM 0 H THR A 33 -1.430 2.443 12.694 1.00 0.00 H new ATOM 0 HA THR A 33 -3.056 3.507 14.811 1.00 0.00 H new ATOM 0 HB THR A 33 -4.066 1.239 14.767 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.089 0.129 14.162 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.035 1.337 12.521 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.984 2.933 13.307 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.800 2.526 12.043 1.00 0.00 H new ATOM 325 N GLY A 34 -1.143 3.088 16.433 1.00 0.00 N ATOM 326 CA GLY A 34 -0.470 2.919 17.742 1.00 0.00 C ATOM 327 C GLY A 34 -0.745 4.138 18.623 1.00 0.00 C ATOM 328 O GLY A 34 -1.861 4.452 18.992 1.00 0.00 O ATOM 0 H GLY A 34 -1.102 4.047 16.088 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.830 2.015 18.233 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.603 2.797 17.597 1.00 0.00 H new HETATM 330 N NH2 A 35 0.269 4.959 18.817 1.00 0.00 N TER 333 NH2 A 35 HETATM 334 C ACE B 0 2.370 17.484 8.275 1.00 0.00 C HETATM 335 O ACE B 0 3.426 17.582 7.680 1.00 0.00 O HETATM 336 CH3 ACE B 0 1.675 18.655 8.961 1.00 0.00 C HETATM 0 H1 ACE B 0 0.689 18.801 8.521 1.00 0.00 H new HETATM 0 H2 ACE B 0 1.570 18.443 10.025 1.00 0.00 H new HETATM 0 H3 ACE B 0 2.269 19.559 8.828 1.00 0.00 H new ATOM 337 N LYS B 1 1.746 16.340 8.219 1.00 0.00 N ATOM 338 CA LYS B 1 1.271 15.463 7.129 1.00 0.00 C ATOM 339 C LYS B 1 0.624 16.272 5.991 1.00 0.00 C ATOM 340 O LYS B 1 -0.195 17.160 6.221 1.00 0.00 O ATOM 341 CB LYS B 1 0.271 14.437 7.696 1.00 0.00 C ATOM 342 CG LYS B 1 0.026 13.295 6.699 1.00 0.00 C ATOM 343 CD LYS B 1 -1.073 12.311 7.138 1.00 0.00 C ATOM 344 CE LYS B 1 -0.721 11.502 8.389 1.00 0.00 C ATOM 345 NZ LYS B 1 -1.757 10.487 8.617 1.00 0.00 N ATOM 0 H LYS B 1 1.503 15.900 9.107 1.00 0.00 H new ATOM 0 HA LYS B 1 2.131 14.942 6.708 1.00 0.00 H new ATOM 0 HB2 LYS B 1 0.654 14.031 8.632 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -0.672 14.932 7.925 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -0.246 13.721 5.733 1.00 0.00 H new ATOM 0 HG3 LYS B 1 0.956 12.745 6.555 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -1.991 12.868 7.324 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -1.278 11.622 6.318 1.00 0.00 H new ATOM 0 HE2 LYS B 1 0.251 11.025 8.266 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -0.645 12.162 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -1.521 9.935 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -2.677 10.954 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -1.808 9.852 7.795 1.00 0.00 H new ATOM 350 N SER B 2 1.119 16.023 4.789 1.00 0.00 N ATOM 351 CA SER B 2 0.609 16.650 3.550 1.00 0.00 C ATOM 352 C SER B 2 0.511 15.649 2.399 1.00 0.00 C ATOM 353 O SER B 2 1.346 14.764 2.256 1.00 0.00 O ATOM 354 CB SER B 2 1.504 17.815 3.112 1.00 0.00 C ATOM 355 OG SER B 2 0.951 18.443 1.955 1.00 0.00 O ATOM 0 H SER B 2 1.892 15.377 4.630 1.00 0.00 H new ATOM 0 HA SER B 2 -0.390 17.018 3.783 1.00 0.00 H new ATOM 0 HB2 SER B 2 1.595 18.539 3.921 1.00 0.00 H new ATOM 0 HB3 SER B 2 2.508 17.452 2.895 1.00 0.00 H new ATOM 0 HG SER B 2 1.526 19.188 1.681 1.00 0.00 H new ATOM 358 N GLU B 3 -0.537 15.832 1.583 1.00 0.00 N ATOM 359 CA GLU B 3 -0.715 15.162 0.277 1.00 0.00 C ATOM 360 C GLU B 3 0.580 15.046 -0.555 1.00 0.00 C ATOM 361 O GLU B 3 0.971 13.938 -0.911 1.00 0.00 O ATOM 362 CB GLU B 3 -1.736 15.899 -0.582 1.00 0.00 C ATOM 363 CG GLU B 3 -3.186 15.494 -0.289 1.00 0.00 C ATOM 364 CD GLU B 3 -4.119 16.271 -1.221 1.00 0.00 C ATOM 365 OE1 GLU B 3 -4.378 15.765 -2.338 1.00 0.00 O ATOM 366 OE2 GLU B 3 -4.524 17.385 -0.816 1.00 0.00 O ATOM 0 H GLU B 3 -1.304 16.463 1.814 1.00 0.00 H new ATOM 0 HA GLU B 3 -1.053 14.158 0.533 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -1.627 16.972 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -1.519 15.710 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -3.314 14.422 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -3.433 15.705 0.752 1.00 0.00 H new ATOM 368 N GLU B 4 1.276 16.159 -0.764 1.00 0.00 N ATOM 369 CA GLU B 4 2.493 16.223 -1.582 1.00 0.00 C ATOM 370 C GLU B 4 3.611 15.307 -1.036 1.00 0.00 C ATOM 371 O GLU B 4 4.224 14.551 -1.788 1.00 0.00 O ATOM 372 CB GLU B 4 2.968 17.677 -1.695 1.00 0.00 C ATOM 373 CG GLU B 4 3.713 17.975 -3.005 1.00 0.00 C ATOM 374 CD GLU B 4 5.108 17.329 -3.137 1.00 0.00 C ATOM 375 OE1 GLU B 4 5.808 17.270 -2.109 1.00 0.00 O ATOM 376 OE2 GLU B 4 5.409 16.908 -4.267 1.00 0.00 O ATOM 0 H GLU B 4 1.010 17.059 -0.365 1.00 0.00 H new ATOM 0 HA GLU B 4 2.250 15.852 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.106 18.340 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU B 4 3.623 17.904 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.096 17.639 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.821 19.055 -3.104 1.00 0.00 H new ATOM 378 N GLU B 5 3.796 15.344 0.294 1.00 0.00 N ATOM 379 CA GLU B 5 4.655 14.413 1.052 1.00 0.00 C ATOM 380 C GLU B 5 4.281 12.942 0.751 1.00 0.00 C ATOM 381 O GLU B 5 5.112 12.188 0.248 1.00 0.00 O ATOM 382 CB GLU B 5 4.489 14.763 2.540 1.00 0.00 C ATOM 383 CG GLU B 5 5.122 13.761 3.521 1.00 0.00 C ATOM 384 CD GLU B 5 4.380 13.770 4.871 1.00 0.00 C ATOM 385 OE1 GLU B 5 3.133 13.893 4.845 1.00 0.00 O ATOM 386 OE2 GLU B 5 5.074 13.689 5.902 1.00 0.00 O ATOM 0 H GLU B 5 3.342 16.038 0.888 1.00 0.00 H new ATOM 0 HA GLU B 5 5.700 14.517 0.761 1.00 0.00 H new ATOM 0 HB2 GLU B 5 4.926 15.746 2.717 1.00 0.00 H new ATOM 0 HB3 GLU B 5 3.425 14.842 2.762 1.00 0.00 H new ATOM 0 HG2 GLU B 5 5.094 12.759 3.093 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.171 14.012 3.677 1.00 0.00 H new ATOM 388 N LEU B 6 3.018 12.583 0.992 1.00 0.00 N ATOM 389 CA LEU B 6 2.507 11.241 0.680 1.00 0.00 C ATOM 390 C LEU B 6 2.674 10.795 -0.779 1.00 0.00 C ATOM 391 O LEU B 6 3.172 9.703 -1.010 1.00 0.00 O ATOM 392 CB LEU B 6 1.044 11.056 1.098 1.00 0.00 C ATOM 393 CG LEU B 6 0.997 10.283 2.414 1.00 0.00 C ATOM 394 CD1 LEU B 6 0.738 11.239 3.582 1.00 0.00 C ATOM 395 CD2 LEU B 6 -0.094 9.213 2.357 1.00 0.00 C ATOM 0 H LEU B 6 2.324 13.206 1.405 1.00 0.00 H new ATOM 0 HA LEU B 6 3.148 10.595 1.279 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.560 12.026 1.214 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.497 10.517 0.325 1.00 0.00 H new ATOM 0 HG LEU B 6 1.960 9.796 2.568 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.707 10.675 4.514 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.538 11.978 3.632 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.215 11.746 3.433 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -0.119 8.668 3.301 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -1.060 9.687 2.187 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.118 8.520 1.543 1.00 0.00 H new ATOM 397 N ALA B 7 2.435 11.713 -1.712 1.00 0.00 N ATOM 398 CA ALA B 7 2.652 11.524 -3.153 1.00 0.00 C ATOM 399 C ALA B 7 4.077 11.044 -3.501 1.00 0.00 C ATOM 400 O ALA B 7 4.238 10.102 -4.263 1.00 0.00 O ATOM 401 CB ALA B 7 2.349 12.816 -3.914 1.00 0.00 C ATOM 0 H ALA B 7 2.074 12.639 -1.484 1.00 0.00 H new ATOM 0 HA ALA B 7 1.965 10.736 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA B 7 2.515 12.658 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.310 13.102 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA B 7 3.005 13.610 -3.558 1.00 0.00 H new ATOM 403 N ASN B 8 5.064 11.587 -2.795 1.00 0.00 N ATOM 404 CA ASN B 8 6.475 11.185 -2.899 1.00 0.00 C ATOM 405 C ASN B 8 6.784 9.833 -2.243 1.00 0.00 C ATOM 406 O ASN B 8 7.275 8.935 -2.920 1.00 0.00 O ATOM 407 CB ASN B 8 7.351 12.288 -2.314 1.00 0.00 C ATOM 408 CG ASN B 8 7.533 13.436 -3.309 1.00 0.00 C ATOM 409 OD1 ASN B 8 8.533 13.576 -3.987 1.00 0.00 O ATOM 410 ND2 ASN B 8 6.562 14.323 -3.355 1.00 0.00 N ATOM 0 H ASN B 8 4.909 12.335 -2.119 1.00 0.00 H new ATOM 0 HA ASN B 8 6.695 11.047 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN B 8 6.900 12.666 -1.397 1.00 0.00 H new ATOM 0 HB3 ASN B 8 8.325 11.879 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.644 15.138 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.728 14.196 -2.782 1.00 0.00 H new ATOM 414 N ALA B 9 6.337 9.659 -1.000 1.00 0.00 N ATOM 415 CA ALA B 9 6.436 8.373 -0.290 1.00 0.00 C ATOM 416 C ALA B 9 5.833 7.177 -1.051 1.00 0.00 C ATOM 417 O ALA B 9 6.529 6.215 -1.351 1.00 0.00 O ATOM 418 CB ALA B 9 5.819 8.520 1.102 1.00 0.00 C ATOM 0 H ALA B 9 5.897 10.399 -0.454 1.00 0.00 H new ATOM 0 HA ALA B 9 7.497 8.135 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA B 9 5.889 7.571 1.633 1.00 0.00 H new ATOM 0 HB2 ALA B 9 6.356 9.288 1.659 1.00 0.00 H new ATOM 0 HB3 ALA B 9 4.772 8.806 1.007 1.00 0.00 H new ATOM 420 N PHE B 10 4.666 7.474 -1.625 1.00 0.00 N ATOM 421 CA PHE B 10 3.885 6.610 -2.530 1.00 0.00 C ATOM 422 C PHE B 10 4.751 6.075 -3.671 1.00 0.00 C ATOM 423 O PHE B 10 5.017 4.877 -3.798 1.00 0.00 O ATOM 424 CB PHE B 10 2.762 7.447 -3.146 1.00 0.00 C ATOM 425 CG PHE B 10 1.745 6.685 -4.019 1.00 0.00 C ATOM 426 CD1 PHE B 10 1.146 5.483 -3.592 1.00 0.00 C ATOM 427 CD2 PHE B 10 1.476 7.220 -5.302 1.00 0.00 C ATOM 428 CE1 PHE B 10 0.259 4.808 -4.452 1.00 0.00 C ATOM 429 CE2 PHE B 10 0.588 6.545 -6.163 1.00 0.00 C ATOM 430 CZ PHE B 10 -0.010 5.344 -5.735 1.00 0.00 C ATOM 0 H PHE B 10 4.210 8.372 -1.466 1.00 0.00 H new ATOM 0 HA PHE B 10 3.496 5.769 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE B 10 2.220 7.939 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE B 10 3.213 8.232 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE B 10 1.366 5.083 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE B 10 1.948 8.139 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE B 10 -0.212 3.889 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE B 10 0.368 6.945 -7.142 1.00 0.00 H new ATOM 0 HZ PHE B 10 -0.686 4.823 -6.397 1.00 0.00 H new ATOM 432 N ARG B 11 5.379 7.064 -4.298 1.00 0.00 N ATOM 433 CA ARG B 11 6.243 6.883 -5.462 1.00 0.00 C ATOM 434 C ARG B 11 7.598 6.221 -5.243 1.00 0.00 C ATOM 435 O ARG B 11 8.057 5.457 -6.088 1.00 0.00 O ATOM 436 CB ARG B 11 6.353 8.155 -6.310 1.00 0.00 C ATOM 437 CG ARG B 11 5.214 8.212 -7.326 1.00 0.00 C ATOM 438 CD ARG B 11 5.326 7.032 -8.294 1.00 0.00 C ATOM 439 NE ARG B 11 4.167 6.951 -9.200 1.00 0.00 N ATOM 440 CZ ARG B 11 4.213 6.655 -10.497 1.00 0.00 C ATOM 441 NH1 ARG B 11 5.353 6.385 -11.118 1.00 0.00 N ATOM 442 NH2 ARG B 11 3.114 6.662 -11.229 1.00 0.00 N ATOM 0 H ARG B 11 5.300 8.038 -4.005 1.00 0.00 H new ATOM 0 HA ARG B 11 5.703 6.124 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.320 9.034 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.312 8.174 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.253 8.183 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG B 11 5.252 9.152 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG B 11 6.239 7.130 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG B 11 5.409 6.105 -7.727 1.00 0.00 H new ATOM 0 HE ARG B 11 3.248 7.138 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG B 11 6.232 6.400 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG B 11 5.351 6.162 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG B 11 2.218 6.896 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG B 11 3.161 6.434 -12.222 1.00 0.00 H new ATOM 449 N ILE B 12 8.079 6.349 -4.018 1.00 0.00 N ATOM 450 CA ILE B 12 9.310 5.675 -3.580 1.00 0.00 C ATOM 451 C ILE B 12 9.123 4.140 -3.480 1.00 0.00 C ATOM 452 O ILE B 12 9.918 3.336 -3.973 1.00 0.00 O ATOM 453 CB ILE B 12 9.950 6.282 -2.336 1.00 0.00 C ATOM 454 CG1 ILE B 12 10.316 7.764 -2.600 1.00 0.00 C ATOM 455 CG2 ILE B 12 11.223 5.547 -1.885 1.00 0.00 C ATOM 456 CD1 ILE B 12 10.366 8.609 -1.324 1.00 0.00 C ATOM 0 H ILE B 12 7.637 6.918 -3.296 1.00 0.00 H new ATOM 0 HA ILE B 12 10.040 5.857 -4.369 1.00 0.00 H new ATOM 0 HB ILE B 12 9.210 6.190 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE B 12 11.285 7.809 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.586 8.195 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE B 12 11.627 6.031 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE B 12 10.982 4.509 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE B 12 11.964 5.580 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE B 12 10.628 9.636 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE B 12 9.390 8.592 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE B 12 11.116 8.201 -0.646 1.00 0.00 H new ATOM 458 N PHE B 13 7.964 3.795 -2.943 1.00 0.00 N ATOM 459 CA PHE B 13 7.454 2.429 -2.780 1.00 0.00 C ATOM 460 C PHE B 13 7.119 1.791 -4.145 1.00 0.00 C ATOM 461 O PHE B 13 7.377 0.612 -4.384 1.00 0.00 O ATOM 462 CB PHE B 13 6.170 2.536 -1.951 1.00 0.00 C ATOM 463 CG PHE B 13 6.248 3.175 -0.547 1.00 0.00 C ATOM 464 CD1 PHE B 13 7.464 3.362 0.140 1.00 0.00 C ATOM 465 CD2 PHE B 13 5.039 3.707 -0.032 1.00 0.00 C ATOM 466 CE1 PHE B 13 7.489 4.117 1.338 1.00 0.00 C ATOM 467 CE2 PHE B 13 5.052 4.461 1.161 1.00 0.00 C ATOM 468 CZ PHE B 13 6.278 4.666 1.835 1.00 0.00 C ATOM 0 H PHE B 13 7.312 4.494 -2.587 1.00 0.00 H new ATOM 0 HA PHE B 13 8.206 1.805 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE B 13 5.446 3.105 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE B 13 5.766 1.530 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.375 2.930 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE B 13 4.108 3.535 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE B 13 8.418 4.273 1.867 1.00 0.00 H new ATOM 0 HE2 PHE B 13 4.136 4.877 1.555 1.00 0.00 H new ATOM 0 HZ PHE B 13 6.293 5.250 2.743 1.00 0.00 H new ATOM 470 N ASP B 14 6.452 2.584 -4.980 1.00 0.00 N ATOM 471 CA ASP B 14 6.012 2.308 -6.362 1.00 0.00 C ATOM 472 C ASP B 14 7.175 2.229 -7.369 1.00 0.00 C ATOM 473 O ASP B 14 7.202 2.873 -8.418 1.00 0.00 O ATOM 474 CB ASP B 14 4.945 3.327 -6.787 1.00 0.00 C ATOM 475 CG ASP B 14 4.285 3.020 -8.136 1.00 0.00 C ATOM 476 OD1 ASP B 14 4.594 1.981 -8.756 1.00 0.00 O ATOM 477 OD2 ASP B 14 3.461 3.862 -8.546 1.00 0.00 O ATOM 0 H ASP B 14 6.177 3.522 -4.689 1.00 0.00 H new ATOM 0 HA ASP B 14 5.566 1.313 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.173 3.370 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP B 14 5.402 4.316 -6.835 1.00 0.00 H new ATOM 479 N LYS B 15 7.937 1.192 -7.093 1.00 0.00 N ATOM 480 CA LYS B 15 9.075 0.709 -7.893 1.00 0.00 C ATOM 481 C LYS B 15 8.764 0.546 -9.395 1.00 0.00 C ATOM 482 O LYS B 15 9.429 1.172 -10.209 1.00 0.00 O ATOM 483 CB LYS B 15 9.609 -0.601 -7.304 1.00 0.00 C ATOM 484 CG LYS B 15 10.245 -0.342 -5.940 1.00 0.00 C ATOM 485 CD LYS B 15 10.753 -1.645 -5.330 1.00 0.00 C ATOM 486 CE LYS B 15 11.396 -1.406 -3.958 1.00 0.00 C ATOM 487 NZ LYS B 15 10.384 -0.992 -2.976 1.00 0.00 N ATOM 0 H LYS B 15 7.782 0.622 -6.261 1.00 0.00 H new ATOM 0 HA LYS B 15 9.841 1.483 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS B 15 8.797 -1.322 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.344 -1.040 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS B 15 11.070 0.363 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.515 0.118 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.926 -2.348 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.481 -2.103 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS B 15 11.889 -2.317 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS B 15 12.166 -0.639 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.839 -0.835 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.932 -0.111 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.664 -1.737 -2.885 1.00 0.00 H new ATOM 492 N ASN B 16 7.709 -0.200 -9.732 1.00 0.00 N ATOM 493 CA ASN B 16 7.343 -0.458 -11.130 1.00 0.00 C ATOM 494 C ASN B 16 6.457 0.619 -11.817 1.00 0.00 C ATOM 495 O ASN B 16 5.712 0.329 -12.755 1.00 0.00 O ATOM 496 CB ASN B 16 6.743 -1.867 -11.213 1.00 0.00 C ATOM 497 CG ASN B 16 5.361 -2.026 -10.560 1.00 0.00 C ATOM 498 OD1 ASN B 16 5.107 -1.563 -9.465 1.00 0.00 O ATOM 499 ND2 ASN B 16 4.463 -2.699 -11.232 1.00 0.00 N ATOM 0 H ASN B 16 7.089 -0.639 -9.052 1.00 0.00 H new ATOM 0 HA ASN B 16 8.259 -0.393 -11.717 1.00 0.00 H new ATOM 0 HB2 ASN B 16 6.667 -2.151 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN B 16 7.433 -2.567 -10.742 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.533 -2.842 -10.838 1.00 0.00 H new ATOM 0 HD22 ASN B 16 4.693 -3.081 -12.150 1.00 0.00 H new ATOM 503 N ALA B 17 6.435 1.813 -11.210 1.00 0.00 N ATOM 504 CA ALA B 17 5.987 3.091 -11.808 1.00 0.00 C ATOM 505 C ALA B 17 4.586 3.131 -12.441 1.00 0.00 C ATOM 506 O ALA B 17 4.245 4.026 -13.220 1.00 0.00 O ATOM 507 CB ALA B 17 7.070 3.595 -12.779 1.00 0.00 C ATOM 0 H ALA B 17 6.742 1.926 -10.244 1.00 0.00 H new ATOM 0 HA ALA B 17 5.861 3.767 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.749 4.536 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA B 17 8.002 3.750 -12.236 1.00 0.00 H new ATOM 0 HB3 ALA B 17 7.226 2.856 -13.565 1.00 0.00 H new ATOM 509 N ASP B 18 3.693 2.362 -11.829 1.00 0.00 N ATOM 510 CA ASP B 18 2.309 2.165 -12.317 1.00 0.00 C ATOM 511 C ASP B 18 1.238 3.096 -11.727 1.00 0.00 C ATOM 512 O ASP B 18 0.068 3.009 -12.101 1.00 0.00 O ATOM 513 CB ASP B 18 1.914 0.691 -12.149 1.00 0.00 C ATOM 514 CG ASP B 18 1.964 0.088 -10.734 1.00 0.00 C ATOM 515 OD1 ASP B 18 2.339 0.829 -9.801 1.00 0.00 O ATOM 516 OD2 ASP B 18 1.641 -1.114 -10.622 1.00 0.00 O ATOM 0 H ASP B 18 3.898 1.848 -10.972 1.00 0.00 H new ATOM 0 HA ASP B 18 2.334 2.448 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.899 0.572 -12.527 1.00 0.00 H new ATOM 0 HB3 ASP B 18 2.565 0.096 -12.789 1.00 0.00 H new ATOM 518 N GLY B 19 1.654 4.017 -10.860 1.00 0.00 N ATOM 519 CA GLY B 19 0.742 4.845 -10.029 1.00 0.00 C ATOM 520 C GLY B 19 -0.024 4.018 -8.988 1.00 0.00 C ATOM 521 O GLY B 19 -1.107 4.403 -8.556 1.00 0.00 O ATOM 0 H GLY B 19 2.641 4.222 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY B 19 1.320 5.616 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY B 19 0.030 5.356 -10.677 1.00 0.00 H new ATOM 523 N TYR B 20 0.605 2.921 -8.563 1.00 0.00 N ATOM 524 CA TYR B 20 0.028 1.937 -7.640 1.00 0.00 C ATOM 525 C TYR B 20 1.088 1.364 -6.673 1.00 0.00 C ATOM 526 O TYR B 20 2.235 1.769 -6.674 1.00 0.00 O ATOM 527 CB TYR B 20 -0.556 0.756 -8.431 1.00 0.00 C ATOM 528 CG TYR B 20 -1.656 1.132 -9.441 1.00 0.00 C ATOM 529 CD1 TYR B 20 -2.856 1.668 -8.912 1.00 0.00 C ATOM 530 CD2 TYR B 20 -1.541 0.743 -10.781 1.00 0.00 C ATOM 531 CE1 TYR B 20 -3.977 1.783 -9.754 1.00 0.00 C ATOM 532 CE2 TYR B 20 -2.662 0.871 -11.627 1.00 0.00 C ATOM 533 CZ TYR B 20 -3.870 1.376 -11.105 1.00 0.00 C ATOM 534 OH TYR B 20 -5.002 1.308 -11.843 1.00 0.00 O ATOM 0 H TYR B 20 1.553 2.685 -8.857 1.00 0.00 H new ATOM 0 HA TYR B 20 -0.743 2.454 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR B 20 0.254 0.260 -8.966 1.00 0.00 H new ATOM 0 HB3 TYR B 20 -0.963 0.031 -7.726 1.00 0.00 H new ATOM 0 HD1 TYR B 20 -2.909 1.983 -7.880 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -0.609 0.351 -11.161 1.00 0.00 H new ATOM 0 HE1 TYR B 20 -4.908 2.177 -9.374 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -2.595 0.584 -12.666 1.00 0.00 H new ATOM 0 HH TYR B 20 -4.783 1.016 -12.752 1.00 0.00 H new ATOM 537 N ILE B 21 0.595 0.522 -5.774 1.00 0.00 N ATOM 538 CA ILE B 21 1.391 -0.358 -4.888 1.00 0.00 C ATOM 539 C ILE B 21 0.910 -1.795 -5.147 1.00 0.00 C ATOM 540 O ILE B 21 -0.284 -2.083 -5.144 1.00 0.00 O ATOM 541 CB ILE B 21 1.236 0.012 -3.412 1.00 0.00 C ATOM 542 CG1 ILE B 21 1.594 1.447 -3.028 1.00 0.00 C ATOM 543 CG2 ILE B 21 1.931 -0.951 -2.425 1.00 0.00 C ATOM 544 CD1 ILE B 21 2.958 1.970 -3.520 1.00 0.00 C ATOM 0 H ILE B 21 -0.409 0.419 -5.626 1.00 0.00 H new ATOM 0 HA ILE B 21 2.453 -0.248 -5.109 1.00 0.00 H new ATOM 0 HB ILE B 21 0.156 -0.089 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE B 21 0.817 2.107 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE B 21 1.570 1.526 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE B 21 1.766 -0.607 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE B 21 1.517 -1.953 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE B 21 3.001 -0.974 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE B 21 3.096 2.998 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE B 21 3.755 1.346 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE B 21 2.989 1.937 -4.609 1.00 0.00 H new ATOM 546 N ASP B 22 1.875 -2.671 -5.415 1.00 0.00 N ATOM 547 CA ASP B 22 1.688 -4.128 -5.451 1.00 0.00 C ATOM 548 C ASP B 22 2.106 -4.850 -4.183 1.00 0.00 C ATOM 549 O ASP B 22 2.664 -4.273 -3.266 1.00 0.00 O ATOM 550 CB ASP B 22 2.229 -4.772 -6.725 1.00 0.00 C ATOM 551 CG ASP B 22 3.302 -3.991 -7.506 1.00 0.00 C ATOM 552 OD1 ASP B 22 4.417 -3.877 -6.961 1.00 0.00 O ATOM 553 OD2 ASP B 22 2.953 -3.513 -8.604 1.00 0.00 O ATOM 0 H ASP B 22 2.833 -2.386 -5.619 1.00 0.00 H new ATOM 0 HA ASP B 22 0.607 -4.262 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP B 22 2.644 -5.745 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.389 -4.954 -7.395 1.00 0.00 H new ATOM 555 N ILE B 23 1.806 -6.140 -4.172 1.00 0.00 N ATOM 556 CA ILE B 23 1.975 -7.025 -2.996 1.00 0.00 C ATOM 557 C ILE B 23 3.342 -6.991 -2.287 1.00 0.00 C ATOM 558 O ILE B 23 3.411 -6.701 -1.094 1.00 0.00 O ATOM 559 CB ILE B 23 1.479 -8.451 -3.368 1.00 0.00 C ATOM 560 CG1 ILE B 23 1.368 -9.369 -2.143 1.00 0.00 C ATOM 561 CG2 ILE B 23 2.296 -9.119 -4.483 1.00 0.00 C ATOM 562 CD1 ILE B 23 0.144 -9.042 -1.292 1.00 0.00 C ATOM 0 H ILE B 23 1.431 -6.624 -4.988 1.00 0.00 H new ATOM 0 HA ILE B 23 1.348 -6.614 -2.205 1.00 0.00 H new ATOM 0 HB ILE B 23 0.476 -8.301 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE B 23 1.314 -10.407 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE B 23 2.268 -9.273 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.891 -10.110 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.243 -8.512 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE B 23 3.335 -9.210 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE B 23 0.105 -9.716 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.210 -8.012 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -0.759 -9.164 -1.891 1.00 0.00 H new ATOM 564 N GLU B 24 4.416 -7.124 -3.069 1.00 0.00 N ATOM 565 CA GLU B 24 5.793 -7.040 -2.563 1.00 0.00 C ATOM 566 C GLU B 24 6.200 -5.662 -2.002 1.00 0.00 C ATOM 567 O GLU B 24 6.776 -5.532 -0.926 1.00 0.00 O ATOM 568 CB GLU B 24 6.860 -7.562 -3.546 1.00 0.00 C ATOM 569 CG GLU B 24 6.916 -6.921 -4.934 1.00 0.00 C ATOM 570 CD GLU B 24 5.861 -7.473 -5.897 1.00 0.00 C ATOM 571 OE1 GLU B 24 4.736 -6.922 -5.873 1.00 0.00 O ATOM 572 OE2 GLU B 24 6.170 -8.466 -6.586 1.00 0.00 O ATOM 0 H GLU B 24 4.358 -7.293 -4.073 1.00 0.00 H new ATOM 0 HA GLU B 24 5.767 -7.723 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU B 24 7.837 -7.438 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU B 24 6.702 -8.633 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.780 -5.844 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU B 24 7.906 -7.080 -5.361 1.00 0.00 H new ATOM 574 N GLU B 25 5.703 -4.658 -2.704 1.00 0.00 N ATOM 575 CA GLU B 25 5.755 -3.241 -2.343 1.00 0.00 C ATOM 576 C GLU B 25 5.025 -2.913 -1.033 1.00 0.00 C ATOM 577 O GLU B 25 5.538 -2.144 -0.215 1.00 0.00 O ATOM 578 CB GLU B 25 5.163 -2.451 -3.496 1.00 0.00 C ATOM 579 CG GLU B 25 6.101 -2.349 -4.705 1.00 0.00 C ATOM 580 CD GLU B 25 5.610 -1.282 -5.696 1.00 0.00 C ATOM 581 OE1 GLU B 25 4.736 -0.480 -5.307 1.00 0.00 O ATOM 582 OE2 GLU B 25 6.107 -1.302 -6.849 1.00 0.00 O ATOM 0 H GLU B 25 5.225 -4.812 -3.592 1.00 0.00 H new ATOM 0 HA GLU B 25 6.796 -2.970 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU B 25 4.230 -2.920 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU B 25 4.916 -1.447 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU B 25 7.108 -2.102 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU B 25 6.161 -3.315 -5.206 1.00 0.00 H new ATOM 584 N LEU B 26 3.840 -3.502 -0.827 1.00 0.00 N ATOM 585 CA LEU B 26 3.161 -3.489 0.483 1.00 0.00 C ATOM 586 C LEU B 26 4.048 -4.039 1.613 1.00 0.00 C ATOM 587 O LEU B 26 4.159 -3.419 2.674 1.00 0.00 O ATOM 588 CB LEU B 26 1.820 -4.231 0.376 1.00 0.00 C ATOM 589 CG LEU B 26 1.011 -4.187 1.672 1.00 0.00 C ATOM 590 CD1 LEU B 26 0.556 -2.765 2.023 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.200 -5.102 1.572 1.00 0.00 C ATOM 0 H LEU B 26 3.325 -3.998 -1.555 1.00 0.00 H new ATOM 0 HA LEU B 26 2.961 -2.453 0.755 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.231 -3.792 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.006 -5.270 0.105 1.00 0.00 H new ATOM 0 HG LEU B 26 1.668 -4.533 2.470 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.015 -2.784 2.951 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.429 -2.124 2.147 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.070 -2.375 1.220 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.766 -5.060 2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.834 -4.778 0.747 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.131 -6.125 1.395 1.00 0.00 H new ATOM 593 N GLY B 27 4.785 -5.113 1.307 1.00 0.00 N ATOM 594 CA GLY B 27 5.849 -5.666 2.168 1.00 0.00 C ATOM 595 C GLY B 27 6.903 -4.611 2.553 1.00 0.00 C ATOM 596 O GLY B 27 7.122 -4.366 3.737 1.00 0.00 O ATOM 0 H GLY B 27 4.660 -5.635 0.440 1.00 0.00 H new ATOM 0 HA2 GLY B 27 5.403 -6.076 3.074 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.338 -6.492 1.651 1.00 0.00 H new ATOM 598 N GLU B 28 7.374 -3.858 1.555 1.00 0.00 N ATOM 599 CA GLU B 28 8.323 -2.736 1.747 1.00 0.00 C ATOM 600 C GLU B 28 7.862 -1.646 2.725 1.00 0.00 C ATOM 601 O GLU B 28 8.670 -1.059 3.437 1.00 0.00 O ATOM 602 CB GLU B 28 8.720 -2.095 0.415 1.00 0.00 C ATOM 603 CG GLU B 28 9.866 -2.830 -0.287 1.00 0.00 C ATOM 604 CD GLU B 28 9.479 -4.165 -0.908 1.00 0.00 C ATOM 605 OE1 GLU B 28 9.022 -4.137 -2.076 1.00 0.00 O ATOM 606 OE2 GLU B 28 9.662 -5.206 -0.240 1.00 0.00 O ATOM 0 H GLU B 28 7.111 -4.004 0.580 1.00 0.00 H new ATOM 0 HA GLU B 28 9.190 -3.209 2.209 1.00 0.00 H new ATOM 0 HB2 GLU B 28 7.852 -2.074 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.013 -1.060 0.590 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.269 -2.185 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.667 -2.998 0.433 1.00 0.00 H new ATOM 608 N ILE B 29 6.551 -1.382 2.732 1.00 0.00 N ATOM 609 CA ILE B 29 5.899 -0.459 3.703 1.00 0.00 C ATOM 610 C ILE B 29 5.882 -1.145 5.088 1.00 0.00 C ATOM 611 O ILE B 29 6.523 -0.691 6.034 1.00 0.00 O ATOM 612 CB ILE B 29 4.511 -0.044 3.244 1.00 0.00 C ATOM 613 CG1 ILE B 29 4.507 0.459 1.787 1.00 0.00 C ATOM 614 CG2 ILE B 29 3.931 1.060 4.151 1.00 0.00 C ATOM 615 CD1 ILE B 29 3.133 0.377 1.111 1.00 0.00 C ATOM 0 H ILE B 29 5.899 -1.798 2.067 1.00 0.00 H new ATOM 0 HA ILE B 29 6.470 0.467 3.771 1.00 0.00 H new ATOM 0 HB ILE B 29 3.890 -0.937 3.308 1.00 0.00 H new ATOM 0 HG12 ILE B 29 4.850 1.493 1.768 1.00 0.00 H new ATOM 0 HG13 ILE B 29 5.222 -0.125 1.208 1.00 0.00 H new ATOM 0 HG21 ILE B 29 2.937 1.336 3.798 1.00 0.00 H new ATOM 0 HG22 ILE B 29 3.863 0.692 5.175 1.00 0.00 H new ATOM 0 HG23 ILE B 29 4.582 1.934 4.123 1.00 0.00 H new ATOM 0 HD11 ILE B 29 3.208 0.748 0.089 1.00 0.00 H new ATOM 0 HD12 ILE B 29 2.795 -0.659 1.097 1.00 0.00 H new ATOM 0 HD13 ILE B 29 2.418 0.984 1.666 1.00 0.00 H new ATOM 617 N LEU B 30 5.236 -2.309 5.142 1.00 0.00 N ATOM 618 CA LEU B 30 5.044 -3.109 6.375 1.00 0.00 C ATOM 619 C LEU B 30 6.284 -3.674 7.082 1.00 0.00 C ATOM 620 O LEU B 30 6.183 -4.123 8.224 1.00 0.00 O ATOM 621 CB LEU B 30 4.008 -4.218 6.127 1.00 0.00 C ATOM 622 CG LEU B 30 2.594 -3.645 5.986 1.00 0.00 C ATOM 623 CD1 LEU B 30 1.648 -4.691 5.398 1.00 0.00 C ATOM 624 CD2 LEU B 30 2.035 -3.136 7.325 1.00 0.00 C ATOM 0 H LEU B 30 4.818 -2.741 4.318 1.00 0.00 H new ATOM 0 HA LEU B 30 4.689 -2.369 7.092 1.00 0.00 H new ATOM 0 HB2 LEU B 30 4.271 -4.767 5.223 1.00 0.00 H new ATOM 0 HB3 LEU B 30 4.032 -4.931 6.951 1.00 0.00 H new ATOM 0 HG LEU B 30 2.664 -2.793 5.309 1.00 0.00 H new ATOM 0 HD11 LEU B 30 0.648 -4.266 5.305 1.00 0.00 H new ATOM 0 HD12 LEU B 30 2.007 -4.994 4.414 1.00 0.00 H new ATOM 0 HD13 LEU B 30 1.613 -5.560 6.055 1.00 0.00 H new ATOM 0 HD21 LEU B 30 1.031 -2.740 7.173 1.00 0.00 H new ATOM 0 HD22 LEU B 30 1.996 -3.958 8.039 1.00 0.00 H new ATOM 0 HD23 LEU B 30 2.681 -2.349 7.713 1.00 0.00 H new ATOM 626 N ARG B 31 7.439 -3.586 6.422 1.00 0.00 N ATOM 627 CA ARG B 31 8.781 -3.919 6.963 1.00 0.00 C ATOM 628 C ARG B 31 9.036 -3.470 8.413 1.00 0.00 C ATOM 629 O ARG B 31 9.625 -4.207 9.195 1.00 0.00 O ATOM 630 CB ARG B 31 9.878 -3.281 6.096 1.00 0.00 C ATOM 631 CG ARG B 31 10.291 -4.084 4.865 1.00 0.00 C ATOM 632 CD ARG B 31 11.475 -3.358 4.220 1.00 0.00 C ATOM 633 NE ARG B 31 11.982 -4.046 3.023 1.00 0.00 N ATOM 634 CZ ARG B 31 12.475 -3.445 1.930 1.00 0.00 C ATOM 635 NH1 ARG B 31 12.515 -2.124 1.811 1.00 0.00 N ATOM 636 NH2 ARG B 31 12.877 -4.168 0.899 1.00 0.00 N ATOM 0 H ARG B 31 7.480 -3.268 5.454 1.00 0.00 H new ATOM 0 HA ARG B 31 8.810 -5.009 6.947 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.534 -2.299 5.770 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.760 -3.120 6.716 1.00 0.00 H new ATOM 0 HG2 ARG B 31 10.570 -5.100 5.145 1.00 0.00 H new ATOM 0 HG3 ARG B 31 9.461 -4.164 4.163 1.00 0.00 H new ATOM 0 HD2 ARG B 31 11.172 -2.346 3.951 1.00 0.00 H new ATOM 0 HD3 ARG B 31 12.280 -3.266 4.949 1.00 0.00 H new ATOM 0 HE ARG B 31 11.957 -5.066 3.024 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.164 -1.533 2.565 1.00 0.00 H new ATOM 0 HH12 ARG B 31 12.897 -1.699 0.966 1.00 0.00 H new ATOM 0 HH21 ARG B 31 12.813 -5.185 0.933 1.00 0.00 H new ATOM 0 HH22 ARG B 31 13.252 -3.709 0.069 1.00 0.00 H new ATOM 643 N ALA B 32 8.664 -2.230 8.718 1.00 0.00 N ATOM 644 CA ALA B 32 8.856 -1.625 10.049 1.00 0.00 C ATOM 645 C ALA B 32 7.921 -2.198 11.132 1.00 0.00 C ATOM 646 O ALA B 32 8.364 -2.534 12.233 1.00 0.00 O ATOM 647 CB ALA B 32 8.681 -0.105 9.966 1.00 0.00 C ATOM 0 H ALA B 32 8.216 -1.605 8.048 1.00 0.00 H new ATOM 0 HA ALA B 32 9.872 -1.876 10.352 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.825 0.332 10.954 1.00 0.00 H new ATOM 0 HB2 ALA B 32 9.416 0.309 9.276 1.00 0.00 H new ATOM 0 HB3 ALA B 32 7.677 0.127 9.609 1.00 0.00 H new ATOM 649 N THR B 33 6.669 -2.413 10.756 1.00 0.00 N ATOM 650 CA THR B 33 5.552 -2.866 11.629 1.00 0.00 C ATOM 651 C THR B 33 5.523 -4.374 11.966 1.00 0.00 C ATOM 652 O THR B 33 4.453 -4.933 12.218 1.00 0.00 O ATOM 653 CB THR B 33 4.243 -2.443 10.964 1.00 0.00 C ATOM 654 OG1 THR B 33 4.330 -2.605 9.546 1.00 0.00 O ATOM 655 CG2 THR B 33 3.869 -0.999 11.335 1.00 0.00 C ATOM 0 H THR B 33 6.371 -2.275 9.790 1.00 0.00 H new ATOM 0 HA THR B 33 5.703 -2.390 12.598 1.00 0.00 H new ATOM 0 HB THR B 33 3.448 -3.090 11.335 1.00 0.00 H new ATOM 0 HG1 THR B 33 4.972 -3.315 9.337 1.00 0.00 H new ATOM 0 HG21 THR B 33 2.933 -0.728 10.846 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.750 -0.920 12.416 1.00 0.00 H new ATOM 0 HG23 THR B 33 4.658 -0.323 11.007 1.00 0.00 H new ATOM 658 N GLY B 34 6.700 -5.000 11.988 1.00 0.00 N ATOM 659 CA GLY B 34 6.876 -6.421 12.362 1.00 0.00 C ATOM 660 C GLY B 34 6.790 -7.374 11.169 1.00 0.00 C ATOM 661 O GLY B 34 7.686 -7.472 10.339 1.00 0.00 O ATOM 0 H GLY B 34 7.575 -4.536 11.745 1.00 0.00 H new ATOM 0 HA2 GLY B 34 7.844 -6.545 12.848 1.00 0.00 H new ATOM 0 HA3 GLY B 34 6.115 -6.694 13.093 1.00 0.00 H new HETATM 663 N NH2 B 35 5.807 -8.240 11.173 1.00 0.00 N TER 666 NH2 B 35 HETATM 667 CA CA A 69 -6.963 -0.726 -4.687 1.00 0.00 CA HETATM 668 CA CA B 70 3.585 -0.366 -7.691 1.00 0.00 CA