USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -135:sc= -2.68! (180deg=-6.25!) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc=-0.00981 (180deg=-0.224) USER MOD Single : A 78 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 84 GLN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0675 (180deg=-0.641) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.68) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -0.121 (180deg=-0.663) USER MOD Single : A 117 SER OG : rot 77:sc= 0.533 USER MOD Single : A 119 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.2!) USER MOD Single : A 120 SER OG : rot -25:sc= 1.04 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.787! USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 30:sc= 0.0747 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -20.958 -2.351 -4.157 1.00 0.00 N ATOM 2 CA GLY A -4 -21.268 -3.646 -4.829 1.00 0.00 C ATOM 3 C GLY A -4 -19.978 -4.437 -5.024 1.00 0.00 C ATOM 4 O GLY A -4 -19.904 -5.616 -4.676 1.00 0.00 O ATOM 0 H1 GLY A -4 -21.648 -2.180 -3.398 1.00 0.00 H new ATOM 0 H2 GLY A -4 -20.001 -2.390 -3.752 1.00 0.00 H new ATOM 0 H3 GLY A -4 -21.009 -1.579 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -21.973 -4.221 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -21.745 -3.464 -5.792 1.00 0.00 H new ATOM 10 N PRO A -3 -18.972 -3.811 -5.571 1.00 0.00 N ATOM 11 CA PRO A -3 -17.653 -4.467 -5.821 1.00 0.00 C ATOM 12 C PRO A -3 -17.016 -4.974 -4.527 1.00 0.00 C ATOM 13 O PRO A -3 -17.171 -4.367 -3.468 1.00 0.00 O ATOM 14 CB PRO A -3 -16.793 -3.353 -6.459 1.00 0.00 C ATOM 15 CG PRO A -3 -17.772 -2.330 -6.950 1.00 0.00 C ATOM 16 CD PRO A -3 -18.976 -2.409 -6.016 1.00 0.00 C ATOM 0 HA PRO A -3 -17.749 -5.346 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -16.105 -2.922 -5.732 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -16.188 -3.743 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -17.333 -1.333 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -18.064 -2.534 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -18.879 -1.721 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -19.902 -2.154 -6.532 1.00 0.00 H new ATOM 24 N LEU A -2 -16.300 -6.084 -4.627 1.00 0.00 N ATOM 25 CA LEU A -2 -15.638 -6.662 -3.463 1.00 0.00 C ATOM 26 C LEU A -2 -14.618 -5.690 -2.886 1.00 0.00 C ATOM 27 O LEU A -2 -14.459 -5.595 -1.670 1.00 0.00 O ATOM 28 CB LEU A -2 -14.943 -7.972 -3.847 1.00 0.00 C ATOM 29 CG LEU A -2 -15.990 -9.079 -4.019 1.00 0.00 C ATOM 30 CD1 LEU A -2 -16.918 -8.741 -5.192 1.00 0.00 C ATOM 31 CD2 LEU A -2 -15.284 -10.408 -4.289 1.00 0.00 C ATOM 0 H LEU A -2 -16.162 -6.601 -5.495 1.00 0.00 H new ATOM 0 HA LEU A -2 -16.395 -6.865 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -14.383 -7.840 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -14.225 -8.253 -3.077 1.00 0.00 H new ATOM 0 HG LEU A -2 -16.583 -9.159 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -17.659 -9.531 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -17.423 -7.796 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -16.332 -8.655 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -16.027 -11.196 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -14.689 -10.326 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -14.632 -10.651 -3.450 1.00 0.00 H new ATOM 43 N GLY A -1 -13.923 -4.977 -3.765 1.00 0.00 N ATOM 44 CA GLY A -1 -12.912 -4.017 -3.331 1.00 0.00 C ATOM 45 C GLY A -1 -11.576 -4.706 -3.087 1.00 0.00 C ATOM 46 O GLY A -1 -10.611 -4.075 -2.657 1.00 0.00 O ATOM 0 H GLY A -1 -14.039 -5.044 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -12.793 -3.242 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -13.243 -3.523 -2.418 1.00 0.00 H new ATOM 50 N SER A 0 -11.523 -6.006 -3.367 1.00 0.00 N ATOM 51 CA SER A 0 -10.293 -6.766 -3.174 1.00 0.00 C ATOM 52 C SER A 0 -9.244 -6.357 -4.202 1.00 0.00 C ATOM 53 O SER A 0 -9.574 -5.819 -5.260 1.00 0.00 O ATOM 54 CB SER A 0 -10.582 -8.262 -3.302 1.00 0.00 C ATOM 55 OG SER A 0 -10.910 -8.561 -4.653 1.00 0.00 O ATOM 0 H SER A 0 -12.309 -6.549 -3.724 1.00 0.00 H new ATOM 0 HA SER A 0 -9.907 -6.554 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 0 -9.713 -8.841 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 0 -11.405 -8.543 -2.645 1.00 0.00 H new ATOM 0 HG SER A 0 -11.094 -9.520 -4.740 1.00 0.00 H new ATOM 61 N ARG A 74 -7.979 -6.617 -3.888 1.00 0.00 N ATOM 62 CA ARG A 74 -6.893 -6.270 -4.797 1.00 0.00 C ATOM 63 C ARG A 74 -6.858 -7.227 -5.984 1.00 0.00 C ATOM 64 O ARG A 74 -6.945 -8.444 -5.814 1.00 0.00 O ATOM 65 CB ARG A 74 -5.555 -6.328 -4.056 1.00 0.00 C ATOM 66 CG ARG A 74 -5.544 -5.284 -2.937 1.00 0.00 C ATOM 67 CD ARG A 74 -4.187 -5.306 -2.229 1.00 0.00 C ATOM 68 NE ARG A 74 -3.141 -4.846 -3.136 1.00 0.00 N ATOM 69 CZ ARG A 74 -1.863 -4.855 -2.771 1.00 0.00 C ATOM 70 NH1 ARG A 74 -1.526 -5.280 -1.584 1.00 0.00 N ATOM 71 NH2 ARG A 74 -0.944 -4.441 -3.600 1.00 0.00 N ATOM 0 H ARG A 74 -7.682 -7.062 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.064 -5.259 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.401 -7.324 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.735 -6.142 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.735 -4.293 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.341 -5.492 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.219 -4.669 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.963 -6.316 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.395 -4.512 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.243 -5.605 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.545 -5.287 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.206 -4.110 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.037 -4.448 -3.319 1.00 0.00 H new ATOM 85 N LYS A 75 -6.725 -6.671 -7.181 1.00 0.00 N ATOM 86 CA LYS A 75 -6.677 -7.487 -8.390 1.00 0.00 C ATOM 87 C LYS A 75 -5.348 -8.229 -8.477 1.00 0.00 C ATOM 88 O LYS A 75 -4.292 -7.670 -8.182 1.00 0.00 O ATOM 89 CB LYS A 75 -6.856 -6.610 -9.626 1.00 0.00 C ATOM 90 CG LYS A 75 -7.026 -7.494 -10.862 1.00 0.00 C ATOM 91 CD LYS A 75 -7.326 -6.619 -12.080 1.00 0.00 C ATOM 92 CE LYS A 75 -7.602 -7.508 -13.294 1.00 0.00 C ATOM 93 NZ LYS A 75 -6.354 -8.227 -13.678 1.00 0.00 N ATOM 0 H LYS A 75 -6.649 -5.667 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.488 -8.214 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.727 -5.966 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.992 -5.957 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.120 -8.075 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.836 -8.206 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.187 -5.982 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.482 -5.960 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.390 -8.224 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.957 -6.903 -14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.462 -8.625 -14.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.554 -7.563 -13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.174 -8.996 -13.001 1.00 0.00 H new ATOM 107 N ILE A 76 -5.407 -9.493 -8.874 1.00 0.00 N ATOM 108 CA ILE A 76 -4.199 -10.307 -8.987 1.00 0.00 C ATOM 109 C ILE A 76 -3.300 -9.769 -10.091 1.00 0.00 C ATOM 110 O ILE A 76 -3.732 -9.593 -11.228 1.00 0.00 O ATOM 111 CB ILE A 76 -4.575 -11.760 -9.296 1.00 0.00 C ATOM 112 CG1 ILE A 76 -5.676 -12.220 -8.331 1.00 0.00 C ATOM 113 CG2 ILE A 76 -3.345 -12.657 -9.132 1.00 0.00 C ATOM 114 CD1 ILE A 76 -5.254 -11.943 -6.882 1.00 0.00 C ATOM 0 H ILE A 76 -6.270 -9.976 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.662 -10.265 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.937 -11.829 -10.322 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.607 -11.698 -8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.867 -13.285 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.616 -13.690 -9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.564 -12.332 -9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.979 -12.589 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.042 -12.273 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.335 -12.485 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.086 -10.874 -6.750 1.00 0.00 H new ATOM 126 N ALA A 77 -2.044 -9.511 -9.743 1.00 0.00 N ATOM 127 CA ALA A 77 -1.082 -8.992 -10.706 1.00 0.00 C ATOM 128 C ALA A 77 -0.577 -10.109 -11.614 1.00 0.00 C ATOM 129 O ALA A 77 -0.519 -11.270 -11.213 1.00 0.00 O ATOM 130 CB ALA A 77 0.097 -8.349 -9.976 1.00 0.00 C ATOM 0 H ALA A 77 -1.670 -9.652 -8.805 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.580 -8.240 -11.318 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.810 -7.964 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.263 -7.530 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.586 -9.094 -9.348 1.00 0.00 H new ATOM 136 N GLN A 78 -0.207 -9.749 -12.839 1.00 0.00 N ATOM 137 CA GLN A 78 0.298 -10.728 -13.792 1.00 0.00 C ATOM 138 C GLN A 78 1.731 -11.120 -13.452 1.00 0.00 C ATOM 139 O GLN A 78 2.521 -10.290 -12.999 1.00 0.00 O ATOM 140 CB GLN A 78 0.247 -10.154 -15.210 1.00 0.00 C ATOM 141 CG GLN A 78 -1.208 -9.896 -15.602 1.00 0.00 C ATOM 142 CD GLN A 78 -1.762 -8.718 -14.811 1.00 0.00 C ATOM 143 OE1 GLN A 78 -2.757 -8.860 -14.099 1.00 0.00 O ATOM 144 NE2 GLN A 78 -1.178 -7.555 -14.895 1.00 0.00 N ATOM 0 H GLN A 78 -0.247 -8.793 -13.192 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.332 -11.616 -13.737 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.818 -9.227 -15.260 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.706 -10.849 -15.912 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.274 -9.690 -16.670 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.807 -10.786 -15.411 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.354 -7.439 -15.485 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.545 -6.761 -14.371 1.00 0.00 H new ATOM 153 N MET A 79 2.062 -12.388 -13.668 1.00 0.00 N ATOM 154 CA MET A 79 3.405 -12.878 -13.378 1.00 0.00 C ATOM 155 C MET A 79 4.363 -12.505 -14.502 1.00 0.00 C ATOM 156 O MET A 79 4.003 -12.546 -15.677 1.00 0.00 O ATOM 157 CB MET A 79 3.376 -14.401 -13.211 1.00 0.00 C ATOM 158 CG MET A 79 2.419 -14.777 -12.079 1.00 0.00 C ATOM 159 SD MET A 79 3.046 -14.126 -10.510 1.00 0.00 S ATOM 160 CE MET A 79 1.660 -14.653 -9.475 1.00 0.00 C ATOM 0 H MET A 79 1.424 -13.091 -14.040 1.00 0.00 H new ATOM 0 HA MET A 79 3.752 -12.417 -12.453 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.058 -14.873 -14.141 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.377 -14.772 -12.992 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.426 -14.375 -12.280 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.318 -15.861 -12.020 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.840 -14.349 -8.444 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.741 -14.191 -9.835 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.563 -15.738 -9.522 1.00 0.00 H new ATOM 170 N THR A 80 5.586 -12.141 -14.132 1.00 0.00 N ATOM 171 CA THR A 80 6.590 -11.762 -15.117 1.00 0.00 C ATOM 172 C THR A 80 7.173 -13.000 -15.791 1.00 0.00 C ATOM 173 O THR A 80 6.988 -14.121 -15.319 1.00 0.00 O ATOM 174 CB THR A 80 7.714 -10.970 -14.445 1.00 0.00 C ATOM 175 OG1 THR A 80 8.362 -11.792 -13.486 1.00 0.00 O ATOM 176 CG2 THR A 80 7.129 -9.737 -13.752 1.00 0.00 C ATOM 0 H THR A 80 5.904 -12.101 -13.164 1.00 0.00 H new ATOM 0 HA THR A 80 6.110 -11.140 -15.873 1.00 0.00 H new ATOM 0 HB THR A 80 8.435 -10.652 -15.198 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.083 -11.287 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.930 -9.174 -13.274 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.632 -9.106 -14.489 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.407 -10.051 -12.998 1.00 0.00 H new ATOM 184 N GLU A 81 7.879 -12.790 -16.892 1.00 0.00 N ATOM 185 CA GLU A 81 8.485 -13.898 -17.625 1.00 0.00 C ATOM 186 C GLU A 81 9.483 -14.634 -16.742 1.00 0.00 C ATOM 187 O GLU A 81 9.606 -15.857 -16.817 1.00 0.00 O ATOM 188 CB GLU A 81 9.195 -13.369 -18.876 1.00 0.00 C ATOM 189 CG GLU A 81 8.154 -12.873 -19.888 1.00 0.00 C ATOM 190 CD GLU A 81 7.618 -11.509 -19.461 1.00 0.00 C ATOM 191 OE1 GLU A 81 8.215 -10.903 -18.586 1.00 0.00 O ATOM 192 OE2 GLU A 81 6.613 -11.094 -20.010 1.00 0.00 O ATOM 0 H GLU A 81 8.047 -11.869 -17.298 1.00 0.00 H new ATOM 0 HA GLU A 81 7.698 -14.592 -17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.871 -12.557 -18.607 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.804 -14.156 -19.321 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.603 -12.802 -20.879 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.335 -13.588 -19.960 1.00 0.00 H new ATOM 199 N GLU A 82 10.193 -13.885 -15.907 1.00 0.00 N ATOM 200 CA GLU A 82 11.177 -14.483 -15.015 1.00 0.00 C ATOM 201 C GLU A 82 10.501 -15.455 -14.052 1.00 0.00 C ATOM 202 O GLU A 82 11.036 -16.527 -13.768 1.00 0.00 O ATOM 203 CB GLU A 82 11.892 -13.387 -14.218 1.00 0.00 C ATOM 204 CG GLU A 82 12.960 -14.018 -13.321 1.00 0.00 C ATOM 205 CD GLU A 82 13.727 -12.931 -12.578 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.386 -11.773 -12.747 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.643 -13.274 -11.850 1.00 0.00 O ATOM 0 H GLU A 82 10.107 -12.872 -15.829 1.00 0.00 H new ATOM 0 HA GLU A 82 11.904 -15.029 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.351 -12.670 -14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.173 -12.836 -13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.493 -14.697 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.647 -14.612 -13.923 1.00 0.00 H new ATOM 214 N GLU A 83 9.330 -15.073 -13.551 1.00 0.00 N ATOM 215 CA GLU A 83 8.601 -15.924 -12.619 1.00 0.00 C ATOM 216 C GLU A 83 8.212 -17.239 -13.283 1.00 0.00 C ATOM 217 O GLU A 83 8.352 -18.310 -12.692 1.00 0.00 O ATOM 218 CB GLU A 83 7.338 -15.204 -12.138 1.00 0.00 C ATOM 219 CG GLU A 83 7.727 -14.043 -11.222 1.00 0.00 C ATOM 220 CD GLU A 83 8.251 -14.584 -9.895 1.00 0.00 C ATOM 221 OE1 GLU A 83 8.119 -15.775 -9.670 1.00 0.00 O ATOM 222 OE2 GLU A 83 8.772 -13.797 -9.122 1.00 0.00 O ATOM 0 H GLU A 83 8.870 -14.190 -13.772 1.00 0.00 H new ATOM 0 HA GLU A 83 9.249 -16.137 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.771 -14.833 -12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.691 -15.900 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.490 -13.429 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.864 -13.400 -11.048 1.00 0.00 H new ATOM 229 N GLN A 84 7.742 -17.156 -14.522 1.00 0.00 N ATOM 230 CA GLN A 84 7.355 -18.356 -15.261 1.00 0.00 C ATOM 231 C GLN A 84 8.568 -19.244 -15.522 1.00 0.00 C ATOM 232 O GLN A 84 8.494 -20.466 -15.403 1.00 0.00 O ATOM 233 CB GLN A 84 6.702 -17.958 -16.592 1.00 0.00 C ATOM 234 CG GLN A 84 5.248 -17.550 -16.351 1.00 0.00 C ATOM 235 CD GLN A 84 5.188 -16.356 -15.408 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.386 -16.505 -14.202 1.00 0.00 O ATOM 237 NE2 GLN A 84 4.918 -15.173 -15.886 1.00 0.00 N ATOM 0 H GLN A 84 7.620 -16.282 -15.033 1.00 0.00 H new ATOM 0 HA GLN A 84 6.640 -18.918 -14.661 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.251 -17.133 -17.045 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.744 -18.792 -17.293 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.771 -17.299 -17.298 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.693 -18.387 -15.926 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.754 -15.052 -16.885 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.871 -14.369 -15.260 1.00 0.00 H new ATOM 246 N PHE A 85 9.682 -18.619 -15.885 1.00 0.00 N ATOM 247 CA PHE A 85 10.904 -19.361 -16.161 1.00 0.00 C ATOM 248 C PHE A 85 11.367 -20.115 -14.920 1.00 0.00 C ATOM 249 O PHE A 85 11.708 -21.291 -14.987 1.00 0.00 O ATOM 250 CB PHE A 85 12.004 -18.407 -16.627 1.00 0.00 C ATOM 251 CG PHE A 85 13.279 -19.185 -16.859 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.425 -19.962 -18.015 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.318 -19.124 -15.922 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.607 -20.682 -18.229 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.499 -19.843 -16.137 1.00 0.00 C ATOM 256 CZ PHE A 85 15.645 -20.621 -17.292 1.00 0.00 C ATOM 0 H PHE A 85 9.764 -17.608 -15.994 1.00 0.00 H new ATOM 0 HA PHE A 85 10.696 -20.083 -16.951 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.700 -17.904 -17.545 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.169 -17.632 -15.879 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.627 -20.006 -18.741 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.208 -18.521 -15.033 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.718 -21.285 -19.118 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.298 -19.798 -15.412 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.558 -21.174 -17.460 1.00 0.00 H new ATOM 266 N ALA A 86 11.380 -19.427 -13.785 1.00 0.00 N ATOM 267 CA ALA A 86 11.811 -20.041 -12.534 1.00 0.00 C ATOM 268 C ALA A 86 10.925 -21.231 -12.183 1.00 0.00 C ATOM 269 O ALA A 86 11.403 -22.243 -11.674 1.00 0.00 O ATOM 270 CB ALA A 86 11.764 -19.013 -11.401 1.00 0.00 C ATOM 0 H ALA A 86 11.099 -18.450 -13.704 1.00 0.00 H new ATOM 0 HA ALA A 86 12.835 -20.393 -12.661 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.088 -19.481 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.426 -18.180 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.745 -18.645 -11.286 1.00 0.00 H new ATOM 276 N LEU A 87 9.634 -21.102 -12.448 1.00 0.00 N ATOM 277 CA LEU A 87 8.705 -22.175 -12.142 1.00 0.00 C ATOM 278 C LEU A 87 9.062 -23.439 -12.917 1.00 0.00 C ATOM 279 O LEU A 87 9.015 -24.541 -12.372 1.00 0.00 O ATOM 280 CB LEU A 87 7.282 -21.740 -12.495 1.00 0.00 C ATOM 281 CG LEU A 87 6.277 -22.854 -12.096 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.042 -22.226 -11.443 1.00 0.00 C ATOM 283 CD2 LEU A 87 5.847 -23.638 -13.343 1.00 0.00 C ATOM 0 H LEU A 87 9.211 -20.275 -12.869 1.00 0.00 H new ATOM 0 HA LEU A 87 8.768 -22.393 -11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.036 -20.813 -11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.209 -21.537 -13.563 1.00 0.00 H new ATOM 0 HG LEU A 87 6.759 -23.531 -11.390 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.339 -23.011 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.342 -21.675 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.565 -21.545 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.142 -24.418 -13.057 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.371 -22.961 -14.052 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.722 -24.092 -13.807 1.00 0.00 H new ATOM 295 N ALA A 88 9.407 -23.279 -14.191 1.00 0.00 N ATOM 296 CA ALA A 88 9.758 -24.428 -15.023 1.00 0.00 C ATOM 297 C ALA A 88 10.971 -25.154 -14.445 1.00 0.00 C ATOM 298 O ALA A 88 10.994 -26.381 -14.359 1.00 0.00 O ATOM 299 CB ALA A 88 10.074 -23.956 -16.444 1.00 0.00 C ATOM 0 H ALA A 88 9.451 -22.378 -14.666 1.00 0.00 H new ATOM 0 HA ALA A 88 8.913 -25.116 -15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.336 -24.814 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.200 -23.458 -16.865 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.912 -23.259 -16.418 1.00 0.00 H new ATOM 305 N LEU A 89 11.966 -24.384 -14.029 1.00 0.00 N ATOM 306 CA LEU A 89 13.168 -24.963 -13.438 1.00 0.00 C ATOM 307 C LEU A 89 12.857 -25.576 -12.082 1.00 0.00 C ATOM 308 O LEU A 89 13.404 -26.619 -11.725 1.00 0.00 O ATOM 309 CB LEU A 89 14.254 -23.880 -13.297 1.00 0.00 C ATOM 310 CG LEU A 89 15.019 -23.740 -14.626 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.890 -24.993 -14.874 1.00 0.00 C ATOM 312 CD2 LEU A 89 14.015 -23.567 -15.783 1.00 0.00 C ATOM 0 H LEU A 89 11.968 -23.366 -14.088 1.00 0.00 H new ATOM 0 HA LEU A 89 13.534 -25.753 -14.094 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.799 -22.927 -13.026 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.943 -24.144 -12.495 1.00 0.00 H new ATOM 0 HG LEU A 89 15.667 -22.865 -14.573 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.426 -24.883 -15.817 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.606 -25.105 -14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.252 -25.876 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.557 -23.468 -16.723 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.361 -24.438 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.416 -22.673 -15.614 1.00 0.00 H new ATOM 324 N LYS A 90 11.996 -24.910 -11.331 1.00 0.00 N ATOM 325 CA LYS A 90 11.631 -25.386 -10.006 1.00 0.00 C ATOM 326 C LYS A 90 10.926 -26.735 -10.108 1.00 0.00 C ATOM 327 O LYS A 90 11.178 -27.637 -9.311 1.00 0.00 O ATOM 328 CB LYS A 90 10.709 -24.371 -9.326 1.00 0.00 C ATOM 329 CG LYS A 90 10.422 -24.824 -7.892 1.00 0.00 C ATOM 330 CD LYS A 90 9.535 -23.791 -7.198 1.00 0.00 C ATOM 331 CE LYS A 90 9.268 -24.232 -5.758 1.00 0.00 C ATOM 332 NZ LYS A 90 10.555 -24.258 -5.003 1.00 0.00 N ATOM 0 H LYS A 90 11.539 -24.043 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 90 12.537 -25.504 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.175 -23.386 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.777 -24.280 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.929 -25.796 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.356 -24.944 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.020 -22.815 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.594 -23.684 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.567 -23.548 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.807 -25.220 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.360 -24.203 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.062 -25.142 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.141 -23.447 -5.288 1.00 0.00 H new ATOM 346 N MET A 91 10.050 -26.871 -11.097 1.00 0.00 N ATOM 347 CA MET A 91 9.325 -28.121 -11.292 1.00 0.00 C ATOM 348 C MET A 91 10.291 -29.253 -11.621 1.00 0.00 C ATOM 349 O MET A 91 10.144 -30.371 -11.123 1.00 0.00 O ATOM 350 CB MET A 91 8.312 -27.964 -12.429 1.00 0.00 C ATOM 351 CG MET A 91 7.155 -27.075 -11.967 1.00 0.00 C ATOM 352 SD MET A 91 6.173 -27.961 -10.730 1.00 0.00 S ATOM 353 CE MET A 91 5.086 -26.591 -10.276 1.00 0.00 C ATOM 0 H MET A 91 9.826 -26.139 -11.771 1.00 0.00 H new ATOM 0 HA MET A 91 8.800 -28.364 -10.368 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.795 -27.525 -13.302 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.935 -28.941 -12.731 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.541 -26.147 -11.545 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.529 -26.802 -12.817 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.384 -26.922 -9.510 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.683 -25.765 -9.889 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.533 -26.258 -11.155 1.00 0.00 H new ATOM 363 N SER A 92 11.284 -28.955 -12.452 1.00 0.00 N ATOM 364 CA SER A 92 12.274 -29.959 -12.831 1.00 0.00 C ATOM 365 C SER A 92 13.051 -30.431 -11.602 1.00 0.00 C ATOM 366 O SER A 92 13.318 -31.626 -11.437 1.00 0.00 O ATOM 367 CB SER A 92 13.243 -29.371 -13.857 1.00 0.00 C ATOM 368 OG SER A 92 14.190 -30.362 -14.229 1.00 0.00 O ATOM 0 H SER A 92 11.425 -28.037 -12.873 1.00 0.00 H new ATOM 0 HA SER A 92 11.756 -30.812 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.696 -29.026 -14.735 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.753 -28.504 -13.438 1.00 0.00 H new ATOM 0 HG SER A 92 14.812 -29.989 -14.888 1.00 0.00 H new ATOM 374 N GLU A 93 13.412 -29.486 -10.740 1.00 0.00 N ATOM 375 CA GLU A 93 14.155 -29.814 -9.533 1.00 0.00 C ATOM 376 C GLU A 93 13.310 -30.687 -8.609 1.00 0.00 C ATOM 377 O GLU A 93 13.812 -31.625 -7.992 1.00 0.00 O ATOM 378 CB GLU A 93 14.566 -28.532 -8.799 1.00 0.00 C ATOM 379 CG GLU A 93 15.415 -28.883 -7.571 1.00 0.00 C ATOM 380 CD GLU A 93 16.713 -29.555 -8.014 1.00 0.00 C ATOM 381 OE1 GLU A 93 17.118 -29.332 -9.144 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.275 -30.293 -7.222 1.00 0.00 O ATOM 0 H GLU A 93 13.203 -28.494 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 93 15.051 -30.365 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.131 -27.884 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.679 -27.978 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.638 -27.981 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.858 -29.547 -6.910 1.00 0.00 H new ATOM 389 N GLN A 94 12.025 -30.366 -8.514 1.00 0.00 N ATOM 390 CA GLN A 94 11.122 -31.127 -7.659 1.00 0.00 C ATOM 391 C GLN A 94 11.030 -32.573 -8.129 1.00 0.00 C ATOM 392 O GLN A 94 11.014 -33.496 -7.319 1.00 0.00 O ATOM 393 CB GLN A 94 9.728 -30.492 -7.675 1.00 0.00 C ATOM 394 CG GLN A 94 9.749 -29.175 -6.898 1.00 0.00 C ATOM 395 CD GLN A 94 9.924 -29.453 -5.409 1.00 0.00 C ATOM 396 OE1 GLN A 94 9.265 -30.336 -4.861 1.00 0.00 O ATOM 397 NE2 GLN A 94 10.779 -28.752 -4.716 1.00 0.00 N ATOM 0 H GLN A 94 11.588 -29.591 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 94 11.516 -31.113 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.412 -30.313 -8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.003 -31.174 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.562 -28.544 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.822 -28.628 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.325 -28.020 -5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.901 -28.936 -3.720 1.00 0.00 H new ATOM 406 N GLU A 95 10.981 -32.764 -9.441 1.00 0.00 N ATOM 407 CA GLU A 95 10.892 -34.107 -10.000 1.00 0.00 C ATOM 408 C GLU A 95 12.117 -34.929 -9.608 1.00 0.00 C ATOM 409 O GLU A 95 12.001 -36.105 -9.260 1.00 0.00 O ATOM 410 CB GLU A 95 10.797 -34.028 -11.526 1.00 0.00 C ATOM 411 CG GLU A 95 9.425 -33.482 -11.923 1.00 0.00 C ATOM 412 CD GLU A 95 9.392 -33.191 -13.420 1.00 0.00 C ATOM 413 OE1 GLU A 95 10.456 -33.076 -14.004 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.302 -33.093 -13.961 1.00 0.00 O ATOM 0 H GLU A 95 11.001 -32.014 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 95 10.000 -34.591 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.584 -33.383 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.948 -35.016 -11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.649 -34.204 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.211 -32.572 -11.363 1.00 0.00 H new ATOM 421 N ALA A 96 13.285 -34.298 -9.647 1.00 0.00 N ATOM 422 CA ALA A 96 14.522 -34.978 -9.271 1.00 0.00 C ATOM 423 C ALA A 96 14.503 -35.346 -7.787 1.00 0.00 C ATOM 424 O ALA A 96 14.973 -36.414 -7.394 1.00 0.00 O ATOM 425 CB ALA A 96 15.724 -34.081 -9.566 1.00 0.00 C ATOM 0 H ALA A 96 13.403 -33.326 -9.932 1.00 0.00 H new ATOM 0 HA ALA A 96 14.604 -35.893 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.641 -34.597 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.752 -33.849 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.637 -33.156 -8.996 1.00 0.00 H new ATOM 431 N ARG A 97 13.965 -34.450 -6.968 1.00 0.00 N ATOM 432 CA ARG A 97 13.890 -34.684 -5.529 1.00 0.00 C ATOM 433 C ARG A 97 12.887 -35.781 -5.209 1.00 0.00 C ATOM 434 O ARG A 97 12.980 -36.436 -4.170 1.00 0.00 O ATOM 435 CB ARG A 97 13.494 -33.396 -4.808 1.00 0.00 C ATOM 436 CG ARG A 97 14.623 -32.365 -4.936 1.00 0.00 C ATOM 437 CD ARG A 97 15.864 -32.827 -4.147 1.00 0.00 C ATOM 438 NE ARG A 97 16.756 -33.584 -5.017 1.00 0.00 N ATOM 439 CZ ARG A 97 17.881 -34.109 -4.549 1.00 0.00 C ATOM 440 NH1 ARG A 97 18.199 -33.949 -3.294 1.00 0.00 N ATOM 441 NH2 ARG A 97 18.665 -34.785 -5.342 1.00 0.00 N ATOM 0 H ARG A 97 13.575 -33.558 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 97 14.874 -35.003 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.574 -32.997 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.294 -33.603 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.882 -32.228 -5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.286 -31.398 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.388 -31.963 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.559 -33.443 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 97 16.512 -33.712 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.583 -33.421 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.063 -34.352 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.413 -34.910 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.530 -35.188 -4.982 1.00 0.00 H new ATOM 455 N GLU A 98 11.936 -35.977 -6.107 1.00 0.00 N ATOM 456 CA GLU A 98 10.917 -37.000 -5.916 1.00 0.00 C ATOM 457 C GLU A 98 11.487 -38.389 -6.148 1.00 0.00 C ATOM 458 O GLU A 98 10.824 -39.394 -5.897 1.00 0.00 O ATOM 459 CB GLU A 98 9.737 -36.755 -6.866 1.00 0.00 C ATOM 460 CG GLU A 98 8.881 -35.598 -6.346 1.00 0.00 C ATOM 461 CD GLU A 98 7.879 -35.170 -7.412 1.00 0.00 C ATOM 462 OE1 GLU A 98 8.058 -35.557 -8.555 1.00 0.00 O ATOM 463 OE2 GLU A 98 6.946 -34.463 -7.071 1.00 0.00 O ATOM 0 H GLU A 98 11.847 -35.445 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 98 10.568 -36.940 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.105 -36.525 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.132 -37.658 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.354 -35.902 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.518 -34.756 -6.076 1.00 0.00 H new ATOM 470 N VAL A 99 12.721 -38.437 -6.610 1.00 0.00 N ATOM 471 CA VAL A 99 13.379 -39.715 -6.862 1.00 0.00 C ATOM 472 C VAL A 99 13.743 -40.384 -5.542 1.00 0.00 C ATOM 473 O VAL A 99 14.364 -39.772 -4.674 1.00 0.00 O ATOM 474 CB VAL A 99 14.645 -39.502 -7.696 1.00 0.00 C ATOM 475 CG1 VAL A 99 15.378 -40.834 -7.866 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.260 -38.955 -9.071 1.00 0.00 C ATOM 0 H VAL A 99 13.289 -37.616 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 99 12.693 -40.358 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 99 15.298 -38.792 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.279 -40.680 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.652 -41.226 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.726 -41.546 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.160 -38.802 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.607 -39.667 -9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.738 -38.005 -8.952 1.00 0.00 H new ATOM 486 N ASN A 100 13.347 -41.646 -5.394 1.00 0.00 N ATOM 487 CA ASN A 100 13.633 -42.382 -4.167 1.00 0.00 C ATOM 488 C ASN A 100 15.037 -42.973 -4.213 1.00 0.00 C ATOM 489 O ASN A 100 15.359 -43.772 -5.092 1.00 0.00 O ATOM 490 CB ASN A 100 12.608 -43.509 -3.995 1.00 0.00 C ATOM 491 CG ASN A 100 11.253 -42.930 -3.607 1.00 0.00 C ATOM 492 OD1 ASN A 100 11.043 -42.563 -2.450 1.00 0.00 O ATOM 493 ND2 ASN A 100 10.316 -42.826 -4.507 1.00 0.00 N ATOM 0 H ASN A 100 12.833 -42.174 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 100 13.570 -41.695 -3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.518 -44.074 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.947 -44.206 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.406 -42.440 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.492 -43.131 -5.464 1.00 0.00 H new ATOM 500 N SER A 101 15.864 -42.581 -3.248 1.00 0.00 N ATOM 501 CA SER A 101 17.227 -43.086 -3.173 1.00 0.00 C ATOM 502 C SER A 101 17.243 -44.505 -2.611 1.00 0.00 C ATOM 503 O SER A 101 18.166 -45.277 -2.869 1.00 0.00 O ATOM 504 CB SER A 101 18.076 -42.173 -2.291 1.00 0.00 C ATOM 505 OG SER A 101 17.623 -42.264 -0.947 1.00 0.00 O ATOM 0 H SER A 101 15.614 -41.920 -2.513 1.00 0.00 H new ATOM 0 HA SER A 101 17.644 -43.103 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.125 -42.461 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.007 -41.143 -2.641 1.00 0.00 H new ATOM 0 HG SER A 101 18.167 -41.680 -0.378 1.00 0.00 H new ATOM 511 N GLN A 102 16.217 -44.835 -1.833 1.00 0.00 N ATOM 512 CA GLN A 102 16.124 -46.156 -1.228 1.00 0.00 C ATOM 513 C GLN A 102 15.978 -47.228 -2.297 1.00 0.00 C ATOM 514 O GLN A 102 16.442 -48.350 -2.119 1.00 0.00 O ATOM 515 CB GLN A 102 14.930 -46.215 -0.274 1.00 0.00 C ATOM 516 CG GLN A 102 13.685 -45.682 -0.982 1.00 0.00 C ATOM 517 CD GLN A 102 12.444 -45.963 -0.146 1.00 0.00 C ATOM 518 OE1 GLN A 102 12.356 -45.529 1.003 1.00 0.00 O ATOM 519 NE2 GLN A 102 11.472 -46.669 -0.657 1.00 0.00 N ATOM 0 H GLN A 102 15.443 -44.209 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 102 17.042 -46.341 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.764 -47.241 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 102 15.135 -45.624 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.784 -44.610 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.586 -46.150 -1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.548 -47.027 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.637 -46.862 -0.104 1.00 0.00 H new ATOM 528 N GLU A 103 15.333 -46.873 -3.407 1.00 0.00 N ATOM 529 CA GLU A 103 15.134 -47.817 -4.502 1.00 0.00 C ATOM 530 C GLU A 103 16.474 -48.249 -5.089 1.00 0.00 C ATOM 531 O GLU A 103 16.681 -49.416 -5.407 1.00 0.00 O ATOM 532 CB GLU A 103 14.282 -47.173 -5.596 1.00 0.00 C ATOM 533 CG GLU A 103 12.843 -47.014 -5.102 1.00 0.00 C ATOM 534 CD GLU A 103 12.009 -46.290 -6.153 1.00 0.00 C ATOM 535 OE1 GLU A 103 12.597 -45.710 -7.052 1.00 0.00 O ATOM 536 OE2 GLU A 103 10.794 -46.329 -6.048 1.00 0.00 O ATOM 0 H GLU A 103 14.942 -45.945 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 103 14.622 -48.696 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.694 -46.200 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.302 -47.788 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.411 -47.993 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.830 -46.454 -4.167 1.00 0.00 H new ATOM 543 N GLU A 104 17.386 -47.298 -5.229 1.00 0.00 N ATOM 544 CA GLU A 104 18.708 -47.603 -5.759 1.00 0.00 C ATOM 545 C GLU A 104 19.546 -48.331 -4.713 1.00 0.00 C ATOM 546 O GLU A 104 20.311 -49.241 -5.034 1.00 0.00 O ATOM 547 CB GLU A 104 19.415 -46.314 -6.181 1.00 0.00 C ATOM 548 CG GLU A 104 18.665 -45.685 -7.357 1.00 0.00 C ATOM 549 CD GLU A 104 18.794 -46.568 -8.594 1.00 0.00 C ATOM 550 OE1 GLU A 104 19.751 -46.386 -9.330 1.00 0.00 O ATOM 551 OE2 GLU A 104 17.936 -47.412 -8.786 1.00 0.00 O ATOM 0 H GLU A 104 17.238 -46.318 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 104 18.591 -48.249 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.453 -45.616 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.446 -46.528 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.613 -45.556 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.066 -44.693 -7.565 1.00 0.00 H new ATOM 558 N GLU A 105 19.415 -47.898 -3.459 1.00 0.00 N ATOM 559 CA GLU A 105 20.184 -48.494 -2.375 1.00 0.00 C ATOM 560 C GLU A 105 19.814 -49.961 -2.182 1.00 0.00 C ATOM 561 O GLU A 105 20.682 -50.819 -2.057 1.00 0.00 O ATOM 562 CB GLU A 105 19.922 -47.730 -1.072 1.00 0.00 C ATOM 563 CG GLU A 105 20.810 -48.288 0.042 1.00 0.00 C ATOM 564 CD GLU A 105 20.578 -47.514 1.333 1.00 0.00 C ATOM 565 OE1 GLU A 105 19.725 -46.642 1.333 1.00 0.00 O ATOM 566 OE2 GLU A 105 21.258 -47.802 2.304 1.00 0.00 O ATOM 0 H GLU A 105 18.790 -47.144 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 105 21.241 -48.433 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.125 -46.669 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.872 -47.819 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.591 -49.344 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 105 21.858 -48.219 -0.249 1.00 0.00 H new ATOM 573 N GLU A 106 18.517 -50.242 -2.158 1.00 0.00 N ATOM 574 CA GLU A 106 18.049 -51.612 -1.975 1.00 0.00 C ATOM 575 C GLU A 106 18.395 -52.460 -3.189 1.00 0.00 C ATOM 576 O GLU A 106 18.677 -53.652 -3.068 1.00 0.00 O ATOM 577 CB GLU A 106 16.533 -51.618 -1.744 1.00 0.00 C ATOM 578 CG GLU A 106 15.822 -51.089 -2.992 1.00 0.00 C ATOM 579 CD GLU A 106 15.702 -52.185 -4.050 1.00 0.00 C ATOM 580 OE1 GLU A 106 15.706 -53.344 -3.678 1.00 0.00 O ATOM 581 OE2 GLU A 106 15.617 -51.846 -5.220 1.00 0.00 O ATOM 0 H GLU A 106 17.776 -49.548 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 106 18.546 -52.038 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 106 16.193 -52.629 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.284 -51.000 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.830 -50.724 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 106 16.374 -50.242 -3.400 1.00 0.00 H new ATOM 588 N GLU A 107 18.366 -51.841 -4.366 1.00 0.00 N ATOM 589 CA GLU A 107 18.672 -52.558 -5.595 1.00 0.00 C ATOM 590 C GLU A 107 20.103 -53.083 -5.555 1.00 0.00 C ATOM 591 O GLU A 107 20.364 -54.221 -5.941 1.00 0.00 O ATOM 592 CB GLU A 107 18.500 -51.623 -6.801 1.00 0.00 C ATOM 593 CG GLU A 107 18.773 -52.390 -8.099 1.00 0.00 C ATOM 594 CD GLU A 107 17.738 -53.497 -8.274 1.00 0.00 C ATOM 595 OE1 GLU A 107 16.685 -53.395 -7.664 1.00 0.00 O ATOM 596 OE2 GLU A 107 18.016 -54.432 -9.005 1.00 0.00 O ATOM 0 H GLU A 107 18.136 -50.855 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 107 17.987 -53.400 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.489 -51.216 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.183 -50.778 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.737 -51.709 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.775 -52.817 -8.075 1.00 0.00 H new ATOM 603 N GLU A 108 21.024 -52.244 -5.088 1.00 0.00 N ATOM 604 CA GLU A 108 22.425 -52.639 -5.004 1.00 0.00 C ATOM 605 C GLU A 108 22.598 -53.802 -4.035 1.00 0.00 C ATOM 606 O GLU A 108 23.289 -54.778 -4.334 1.00 0.00 O ATOM 607 CB GLU A 108 23.271 -51.450 -4.541 1.00 0.00 C ATOM 608 CG GLU A 108 24.745 -51.860 -4.486 1.00 0.00 C ATOM 609 CD GLU A 108 25.609 -50.651 -4.151 1.00 0.00 C ATOM 610 OE1 GLU A 108 25.055 -49.577 -3.983 1.00 0.00 O ATOM 611 OE2 GLU A 108 26.815 -50.816 -4.068 1.00 0.00 O ATOM 0 H GLU A 108 20.828 -51.296 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 108 22.756 -52.958 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 108 23.142 -50.611 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.939 -51.115 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 108 24.887 -52.638 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 108 25.050 -52.281 -5.444 1.00 0.00 H new ATOM 618 N LEU A 109 21.962 -53.697 -2.876 1.00 0.00 N ATOM 619 CA LEU A 109 22.049 -54.753 -1.872 1.00 0.00 C ATOM 620 C LEU A 109 21.358 -56.014 -2.366 1.00 0.00 C ATOM 621 O LEU A 109 21.805 -57.127 -2.091 1.00 0.00 O ATOM 622 CB LEU A 109 21.411 -54.275 -0.553 1.00 0.00 C ATOM 623 CG LEU A 109 22.472 -53.614 0.331 1.00 0.00 C ATOM 624 CD1 LEU A 109 23.071 -52.410 -0.395 1.00 0.00 C ATOM 625 CD2 LEU A 109 21.828 -53.156 1.637 1.00 0.00 C ATOM 0 H LEU A 109 21.385 -52.900 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 109 23.099 -54.984 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 109 20.608 -53.568 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.963 -55.119 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 109 23.263 -54.332 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.826 -51.942 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.531 -52.739 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.284 -51.689 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 109 22.581 -52.685 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 109 21.036 -52.439 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 109 21.406 -54.017 2.156 1.00 0.00 H new ATOM 637 N LEU A 110 20.258 -55.833 -3.078 1.00 0.00 N ATOM 638 CA LEU A 110 19.511 -56.967 -3.585 1.00 0.00 C ATOM 639 C LEU A 110 20.362 -57.776 -4.560 1.00 0.00 C ATOM 640 O LEU A 110 20.385 -59.007 -4.509 1.00 0.00 O ATOM 641 CB LEU A 110 18.245 -56.471 -4.288 1.00 0.00 C ATOM 642 CG LEU A 110 17.419 -57.680 -4.796 1.00 0.00 C ATOM 643 CD1 LEU A 110 15.930 -57.436 -4.536 1.00 0.00 C ATOM 644 CD2 LEU A 110 17.648 -57.874 -6.302 1.00 0.00 C ATOM 0 H LEU A 110 19.867 -54.921 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 110 19.236 -57.611 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 110 17.647 -55.873 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.512 -55.824 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 110 17.739 -58.576 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 110 15.353 -58.289 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.763 -57.310 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 110 15.612 -56.536 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 110 17.064 -58.725 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.336 -56.976 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 110 18.706 -58.058 -6.488 1.00 0.00 H new ATOM 656 N ARG A 111 21.065 -57.076 -5.442 1.00 0.00 N ATOM 657 CA ARG A 111 21.916 -57.739 -6.422 1.00 0.00 C ATOM 658 C ARG A 111 23.006 -58.532 -5.726 1.00 0.00 C ATOM 659 O ARG A 111 23.340 -59.647 -6.139 1.00 0.00 O ATOM 660 CB ARG A 111 22.543 -56.696 -7.353 1.00 0.00 C ATOM 661 CG ARG A 111 21.481 -56.145 -8.321 1.00 0.00 C ATOM 662 CD ARG A 111 21.365 -57.066 -9.542 1.00 0.00 C ATOM 663 NE ARG A 111 22.649 -57.143 -10.228 1.00 0.00 N ATOM 664 CZ ARG A 111 22.899 -58.102 -11.110 1.00 0.00 C ATOM 665 NH1 ARG A 111 21.987 -58.998 -11.373 1.00 0.00 N ATOM 666 NH2 ARG A 111 24.058 -58.154 -11.709 1.00 0.00 N ATOM 0 H ARG A 111 21.063 -56.058 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 111 21.306 -58.426 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 111 22.968 -55.882 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 111 23.361 -57.145 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 111 20.518 -56.072 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 111 21.752 -55.138 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 111 21.050 -58.061 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 111 20.601 -56.689 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 111 23.368 -56.448 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 111 21.084 -58.960 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 111 22.178 -59.736 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 111 24.772 -57.457 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 111 24.249 -58.892 -12.387 1.00 0.00 H new ATOM 680 N LYS A 112 23.553 -57.962 -4.666 1.00 0.00 N ATOM 681 CA LYS A 112 24.597 -58.632 -3.913 1.00 0.00 C ATOM 682 C LYS A 112 24.070 -59.929 -3.307 1.00 0.00 C ATOM 683 O LYS A 112 24.777 -60.935 -3.250 1.00 0.00 O ATOM 684 CB LYS A 112 25.122 -57.715 -2.802 1.00 0.00 C ATOM 685 CG LYS A 112 26.235 -58.421 -2.014 1.00 0.00 C ATOM 686 CD LYS A 112 27.401 -58.764 -2.955 1.00 0.00 C ATOM 687 CE LYS A 112 28.683 -58.928 -2.148 1.00 0.00 C ATOM 688 NZ LYS A 112 29.099 -57.601 -1.617 1.00 0.00 N ATOM 0 H LYS A 112 23.293 -57.042 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 112 25.414 -58.869 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 112 25.503 -56.790 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 112 24.308 -57.442 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 112 26.585 -57.779 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 112 25.847 -59.330 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 112 27.183 -59.683 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 112 27.526 -57.975 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 112 28.524 -59.628 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 112 29.471 -59.346 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 30.132 -57.584 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 28.817 -56.856 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 28.639 -57.435 -0.699 1.00 0.00 H new ATOM 702 N ALA A 113 22.832 -59.886 -2.825 1.00 0.00 N ATOM 703 CA ALA A 113 22.221 -61.055 -2.200 1.00 0.00 C ATOM 704 C ALA A 113 22.156 -62.211 -3.189 1.00 0.00 C ATOM 705 O ALA A 113 22.426 -63.360 -2.838 1.00 0.00 O ATOM 706 CB ALA A 113 20.812 -60.710 -1.719 1.00 0.00 C ATOM 0 H ALA A 113 22.235 -59.060 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 113 22.831 -61.354 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 113 20.362 -61.587 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 113 20.864 -59.900 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 113 20.204 -60.397 -2.568 1.00 0.00 H new ATOM 712 N ILE A 114 21.811 -61.903 -4.429 1.00 0.00 N ATOM 713 CA ILE A 114 21.737 -62.933 -5.459 1.00 0.00 C ATOM 714 C ILE A 114 23.115 -63.512 -5.744 1.00 0.00 C ATOM 715 O ILE A 114 23.259 -64.717 -5.952 1.00 0.00 O ATOM 716 CB ILE A 114 21.124 -62.348 -6.751 1.00 0.00 C ATOM 717 CG1 ILE A 114 19.586 -62.314 -6.644 1.00 0.00 C ATOM 718 CG2 ILE A 114 21.534 -63.193 -7.966 1.00 0.00 C ATOM 719 CD1 ILE A 114 19.153 -61.132 -5.781 1.00 0.00 C ATOM 0 H ILE A 114 21.580 -60.962 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 114 21.098 -63.738 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 114 21.498 -61.332 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 114 19.145 -62.231 -7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 114 19.222 -63.245 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 114 21.095 -62.769 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 114 22.620 -63.196 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 114 21.178 -64.215 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 114 18.066 -61.113 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 114 19.581 -61.234 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 114 19.503 -60.204 -6.233 1.00 0.00 H new ATOM 731 N ALA A 115 24.116 -62.646 -5.785 1.00 0.00 N ATOM 732 CA ALA A 115 25.473 -63.089 -6.076 1.00 0.00 C ATOM 733 C ALA A 115 25.943 -64.079 -5.017 1.00 0.00 C ATOM 734 O ALA A 115 26.572 -65.087 -5.332 1.00 0.00 O ATOM 735 CB ALA A 115 26.415 -61.885 -6.106 1.00 0.00 C ATOM 0 H ALA A 115 24.018 -61.644 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 115 25.481 -63.580 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 115 27.429 -62.221 -6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.090 -61.188 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 115 26.399 -61.386 -5.137 1.00 0.00 H new ATOM 741 N GLU A 116 25.620 -63.790 -3.762 1.00 0.00 N ATOM 742 CA GLU A 116 26.001 -64.668 -2.662 1.00 0.00 C ATOM 743 C GLU A 116 25.250 -65.993 -2.742 1.00 0.00 C ATOM 744 O GLU A 116 25.808 -67.055 -2.466 1.00 0.00 O ATOM 745 CB GLU A 116 25.710 -63.989 -1.326 1.00 0.00 C ATOM 746 CG GLU A 116 26.696 -62.837 -1.114 1.00 0.00 C ATOM 747 CD GLU A 116 26.283 -62.016 0.103 1.00 0.00 C ATOM 748 OE1 GLU A 116 25.141 -62.135 0.513 1.00 0.00 O ATOM 749 OE2 GLU A 116 27.117 -61.282 0.609 1.00 0.00 O ATOM 0 H GLU A 116 25.098 -62.960 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 116 27.069 -64.870 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 116 24.687 -63.613 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 116 25.796 -64.710 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 116 27.703 -63.230 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 116 26.722 -62.202 -2.000 1.00 0.00 H new ATOM 756 N SER A 117 23.976 -65.922 -3.114 1.00 0.00 N ATOM 757 CA SER A 117 23.154 -67.121 -3.218 1.00 0.00 C ATOM 758 C SER A 117 23.698 -68.049 -4.298 1.00 0.00 C ATOM 759 O SER A 117 23.707 -69.268 -4.134 1.00 0.00 O ATOM 760 CB SER A 117 21.711 -66.736 -3.548 1.00 0.00 C ATOM 761 OG SER A 117 21.157 -66.012 -2.455 1.00 0.00 O ATOM 0 H SER A 117 23.494 -65.054 -3.347 1.00 0.00 H new ATOM 0 HA SER A 117 23.179 -67.643 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 117 21.682 -66.130 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 117 21.119 -67.630 -3.744 1.00 0.00 H new ATOM 0 HG SER A 117 21.503 -65.095 -2.461 1.00 0.00 H new ATOM 767 N LEU A 118 24.147 -67.465 -5.405 1.00 0.00 N ATOM 768 CA LEU A 118 24.690 -68.254 -6.503 1.00 0.00 C ATOM 769 C LEU A 118 26.019 -68.884 -6.111 1.00 0.00 C ATOM 770 O LEU A 118 26.323 -70.009 -6.512 1.00 0.00 O ATOM 771 CB LEU A 118 24.895 -67.358 -7.728 1.00 0.00 C ATOM 772 CG LEU A 118 23.532 -66.912 -8.274 1.00 0.00 C ATOM 773 CD1 LEU A 118 23.738 -65.806 -9.314 1.00 0.00 C ATOM 774 CD2 LEU A 118 22.806 -68.103 -8.929 1.00 0.00 C ATOM 0 H LEU A 118 24.146 -66.457 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 118 23.982 -69.049 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 118 25.492 -66.487 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 118 25.447 -67.898 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 118 22.925 -66.536 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 118 22.771 -65.488 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 118 24.239 -64.957 -8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 118 24.351 -66.185 -10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 118 21.840 -67.774 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 118 23.410 -68.490 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 118 22.654 -68.888 -8.189 1.00 0.00 H new ATOM 786 N ASN A 119 26.803 -68.157 -5.326 1.00 0.00 N ATOM 787 CA ASN A 119 28.096 -68.657 -4.882 1.00 0.00 C ATOM 788 C ASN A 119 27.919 -69.760 -3.847 1.00 0.00 C ATOM 789 O ASN A 119 28.789 -70.610 -3.683 1.00 0.00 O ATOM 790 CB ASN A 119 28.921 -67.519 -4.281 1.00 0.00 C ATOM 791 CG ASN A 119 29.324 -66.535 -5.374 1.00 0.00 C ATOM 792 OD1 ASN A 119 28.978 -65.356 -5.308 1.00 0.00 O ATOM 793 ND2 ASN A 119 30.040 -66.954 -6.384 1.00 0.00 N ATOM 0 H ASN A 119 26.568 -67.225 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 119 28.619 -69.066 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 119 28.343 -67.006 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 119 29.810 -67.920 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 119 30.313 -66.303 -7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 119 30.325 -67.932 -6.436 1.00 0.00 H new ATOM 800 N SER A 120 26.791 -69.732 -3.144 1.00 0.00 N ATOM 801 CA SER A 120 26.505 -70.734 -2.117 1.00 0.00 C ATOM 802 C SER A 120 25.466 -71.732 -2.615 1.00 0.00 C ATOM 803 O SER A 120 24.980 -72.563 -1.852 1.00 0.00 O ATOM 804 CB SER A 120 25.991 -70.048 -0.852 1.00 0.00 C ATOM 805 OG SER A 120 25.740 -71.030 0.141 1.00 0.00 O ATOM 0 H SER A 120 26.061 -69.030 -3.264 1.00 0.00 H new ATOM 0 HA SER A 120 27.427 -71.271 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 120 26.725 -69.327 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 120 25.079 -69.492 -1.070 1.00 0.00 H new ATOM 0 HG SER A 120 25.555 -71.891 -0.290 1.00 0.00 H new ATOM 811 N CYS A 121 25.122 -71.641 -3.897 1.00 0.00 N ATOM 812 CA CYS A 121 24.126 -72.543 -4.471 1.00 0.00 C ATOM 813 C CYS A 121 24.696 -73.951 -4.621 1.00 0.00 C ATOM 814 O CYS A 121 24.917 -74.650 -3.632 1.00 0.00 O ATOM 815 CB CYS A 121 23.676 -72.020 -5.838 1.00 0.00 C ATOM 816 SG CYS A 121 22.453 -73.151 -6.540 1.00 0.00 S ATOM 0 H CYS A 121 25.512 -70.962 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 121 23.270 -72.584 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 121 23.249 -71.023 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 121 24.533 -71.933 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 121 22.068 -72.708 -7.700 1.00 0.00 H new ATOM 822 N ARG A 122 24.954 -74.351 -5.859 1.00 0.00 N ATOM 823 CA ARG A 122 25.516 -75.668 -6.118 1.00 0.00 C ATOM 824 C ARG A 122 26.950 -75.742 -5.591 1.00 0.00 C ATOM 825 O ARG A 122 27.368 -76.757 -5.028 1.00 0.00 O ATOM 826 CB ARG A 122 25.502 -75.972 -7.630 1.00 0.00 C ATOM 827 CG ARG A 122 25.300 -77.467 -7.852 1.00 0.00 C ATOM 828 CD ARG A 122 25.333 -77.763 -9.347 1.00 0.00 C ATOM 829 NE ARG A 122 24.205 -77.127 -10.015 1.00 0.00 N ATOM 830 CZ ARG A 122 24.084 -77.159 -11.338 1.00 0.00 C ATOM 831 NH1 ARG A 122 24.983 -77.770 -12.060 1.00 0.00 N ATOM 832 NH2 ARG A 122 23.066 -76.581 -11.913 1.00 0.00 N ATOM 0 H ARG A 122 24.785 -73.788 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 122 24.906 -76.410 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 122 24.704 -75.411 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 122 26.439 -75.651 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 122 26.080 -78.031 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 122 24.347 -77.784 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 122 26.268 -77.402 -9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 122 25.302 -78.840 -9.512 1.00 0.00 H new ATOM 0 HE ARG A 122 23.497 -76.649 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.778 -78.223 -11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.891 -77.795 -13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 122 22.363 -76.105 -11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 122 22.972 -76.605 -12.928 1.00 0.00 H new ATOM 846 N PRO A 123 27.707 -74.689 -5.781 1.00 0.00 N ATOM 847 CA PRO A 123 29.128 -74.626 -5.331 1.00 0.00 C ATOM 848 C PRO A 123 29.265 -74.885 -3.833 1.00 0.00 C ATOM 849 O PRO A 123 28.449 -74.422 -3.036 1.00 0.00 O ATOM 850 CB PRO A 123 29.543 -73.185 -5.688 1.00 0.00 C ATOM 851 CG PRO A 123 28.619 -72.788 -6.787 1.00 0.00 C ATOM 852 CD PRO A 123 27.298 -73.431 -6.439 1.00 0.00 C ATOM 0 HA PRO A 123 29.752 -75.386 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 123 29.446 -72.521 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 123 30.584 -73.140 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 123 28.525 -71.704 -6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 123 28.984 -73.134 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 123 26.705 -72.802 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 123 26.693 -73.617 -7.326 1.00 0.00 H new ATOM 860 N SER A 124 30.303 -75.621 -3.463 1.00 0.00 N ATOM 861 CA SER A 124 30.547 -75.935 -2.059 1.00 0.00 C ATOM 862 C SER A 124 31.042 -74.699 -1.313 1.00 0.00 C ATOM 863 O SER A 124 31.676 -73.820 -1.897 1.00 0.00 O ATOM 864 CB SER A 124 31.585 -77.051 -1.947 1.00 0.00 C ATOM 865 OG SER A 124 31.070 -78.231 -2.547 1.00 0.00 O ATOM 0 H SER A 124 30.988 -76.011 -4.110 1.00 0.00 H new ATOM 0 HA SER A 124 29.610 -76.265 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 124 32.511 -76.753 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 124 31.825 -77.236 -0.900 1.00 0.00 H new ATOM 0 HG SER A 124 31.733 -78.949 -2.479 1.00 0.00 H new ATOM 871 N ASP A 125 30.746 -74.636 -0.020 1.00 0.00 N ATOM 872 CA ASP A 125 31.165 -73.503 0.798 1.00 0.00 C ATOM 873 C ASP A 125 32.686 -73.424 0.870 1.00 0.00 C ATOM 874 O ASP A 125 33.375 -74.442 0.806 1.00 0.00 O ATOM 875 CB ASP A 125 30.596 -73.638 2.211 1.00 0.00 C ATOM 876 CG ASP A 125 29.089 -73.400 2.188 1.00 0.00 C ATOM 877 OD1 ASP A 125 28.602 -72.905 1.185 1.00 0.00 O ATOM 878 OD2 ASP A 125 28.445 -73.717 3.174 1.00 0.00 O ATOM 0 H ASP A 125 30.221 -75.351 0.483 1.00 0.00 H new ATOM 0 HA ASP A 125 30.786 -72.591 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 125 30.810 -74.631 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 125 31.076 -72.920 2.876 1.00 0.00 H new ATOM 883 N ALA A 126 33.203 -72.206 1.001 1.00 0.00 N ATOM 884 CA ALA A 126 34.645 -72.002 1.080 1.00 0.00 C ATOM 885 C ALA A 126 35.223 -72.734 2.286 1.00 0.00 C ATOM 886 O ALA A 126 36.348 -73.233 2.239 1.00 0.00 O ATOM 887 CB ALA A 126 34.954 -70.508 1.193 1.00 0.00 C ATOM 0 H ALA A 126 32.649 -71.351 1.054 1.00 0.00 H new ATOM 0 HA ALA A 126 35.101 -72.401 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 126 36.033 -70.363 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 126 34.565 -69.989 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 126 34.485 -70.106 2.091 1.00 0.00 H new ATOM 893 N SER A 127 34.447 -72.796 3.364 1.00 0.00 N ATOM 894 CA SER A 127 34.892 -73.475 4.577 1.00 0.00 C ATOM 895 C SER A 127 34.646 -74.972 4.474 1.00 0.00 C ATOM 896 O SER A 127 35.130 -75.743 5.300 1.00 0.00 O ATOM 897 CB SER A 127 34.152 -72.918 5.791 1.00 0.00 C ATOM 898 OG SER A 127 34.532 -71.563 5.990 1.00 0.00 O ATOM 0 H SER A 127 33.514 -72.388 3.423 1.00 0.00 H new ATOM 0 HA SER A 127 35.962 -73.301 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 127 33.075 -72.987 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 127 34.387 -73.508 6.677 1.00 0.00 H new ATOM 0 HG SER A 127 34.058 -71.201 6.768 1.00 0.00 H new ATOM 904 N ALA A 128 33.895 -75.380 3.452 1.00 0.00 N ATOM 905 CA ALA A 128 33.593 -76.793 3.248 1.00 0.00 C ATOM 906 C ALA A 128 32.473 -77.242 4.180 1.00 0.00 C ATOM 907 O ALA A 128 31.531 -77.911 3.758 1.00 0.00 O ATOM 908 CB ALA A 128 34.853 -77.644 3.496 1.00 0.00 C ATOM 0 H ALA A 128 33.487 -74.755 2.757 1.00 0.00 H new ATOM 0 HA ALA A 128 33.265 -76.930 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 128 34.617 -78.697 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 128 35.638 -77.342 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 128 35.196 -77.496 4.520 1.00 0.00 H new ATOM 914 N THR A 129 32.588 -76.873 5.453 1.00 0.00 N ATOM 915 CA THR A 129 31.583 -77.248 6.446 1.00 0.00 C ATOM 916 C THR A 129 30.546 -76.143 6.594 1.00 0.00 C ATOM 917 O THR A 129 30.845 -74.966 6.392 1.00 0.00 O ATOM 918 CB THR A 129 32.255 -77.507 7.796 1.00 0.00 C ATOM 919 OG1 THR A 129 31.274 -77.926 8.734 1.00 0.00 O ATOM 920 CG2 THR A 129 32.924 -76.225 8.292 1.00 0.00 C ATOM 0 H THR A 129 33.361 -76.318 5.820 1.00 0.00 H new ATOM 0 HA THR A 129 31.085 -78.157 6.110 1.00 0.00 H new ATOM 0 HB THR A 129 33.010 -78.285 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 129 31.700 -78.095 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 129 33.402 -76.412 9.254 1.00 0.00 H new ATOM 0 HG22 THR A 129 33.675 -75.904 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 129 32.173 -75.443 8.406 1.00 0.00 H new ATOM 928 N ARG A 130 29.326 -76.531 6.949 1.00 0.00 N ATOM 929 CA ARG A 130 28.249 -75.563 7.123 1.00 0.00 C ATOM 930 C ARG A 130 28.363 -74.875 8.478 1.00 0.00 C ATOM 931 O ARG A 130 28.629 -75.520 9.491 1.00 0.00 O ATOM 932 CB ARG A 130 26.893 -76.263 7.018 1.00 0.00 C ATOM 933 CG ARG A 130 26.700 -76.787 5.594 1.00 0.00 C ATOM 934 CD ARG A 130 25.423 -77.627 5.526 1.00 0.00 C ATOM 935 NE ARG A 130 25.582 -78.857 6.292 1.00 0.00 N ATOM 936 CZ ARG A 130 24.585 -79.727 6.409 1.00 0.00 C ATOM 937 NH1 ARG A 130 23.440 -79.488 5.832 1.00 0.00 N ATOM 938 NH2 ARG A 130 24.753 -80.822 7.100 1.00 0.00 N ATOM 0 H ARG A 130 29.059 -77.500 7.121 1.00 0.00 H new ATOM 0 HA ARG A 130 28.331 -74.812 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 130 26.840 -77.086 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 130 26.092 -75.569 7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 130 26.637 -75.954 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 130 27.559 -77.388 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 130 24.582 -77.054 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 130 25.192 -77.865 4.488 1.00 0.00 H new ATOM 0 HE ARG A 130 26.474 -79.053 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 130 23.310 -78.633 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 130 22.674 -80.156 5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 130 25.649 -81.009 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 130 23.988 -81.490 7.190 1.00 0.00 H new ATOM 952 N SER A 131 28.156 -73.560 8.490 1.00 0.00 N ATOM 953 CA SER A 131 28.237 -72.792 9.728 1.00 0.00 C ATOM 954 C SER A 131 29.412 -73.264 10.581 1.00 0.00 C ATOM 955 O SER A 131 29.348 -73.100 11.788 1.00 0.00 O ATOM 956 CB SER A 131 26.936 -72.942 10.519 1.00 0.00 C ATOM 957 OG SER A 131 26.583 -74.317 10.584 1.00 0.00 O ATOM 958 OXT SER A 131 30.356 -73.785 10.012 1.00 0.00 O ATOM 0 H SER A 131 27.932 -73.008 7.662 1.00 0.00 H new ATOM 0 HA SER A 131 28.390 -71.743 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 131 27.059 -72.538 11.524 1.00 0.00 H new ATOM 0 HB3 SER A 131 26.139 -72.372 10.042 1.00 0.00 H new ATOM 0 HG SER A 131 27.395 -74.865 10.562 1.00 0.00 H new TER 964 SER A 131