USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 180:sc= -1.66 USER MOD Set 1.2: A 49 GLN : amide:sc= -1.51 K(o=-3.2,f=-6.2!) USER MOD Single : A 1 LEU N :NH3+ -140:sc= -0.4 (180deg=-2.09!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -69:sc= 0.244 USER MOD Single : A 16 GLN : amide:sc= -7.87! C(o=-7.9!,f=-11!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.83 K(o=-2.8,f=-4.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 170:sc= 0 USER MOD Single : A 31 THR OG1 : rot 100:sc= -0.306 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -18:sc= -3.14 USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 0.0776 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -1.02 USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.000447 (180deg=-0.0487) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -164:sc= -8.1! (180deg=-9.98!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.295 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -19.831 -1.070 -11.350 1.00 0.00 N ATOM 2 CA LEU A 1 -18.676 -1.257 -12.274 1.00 0.00 C ATOM 3 C LEU A 1 -18.614 -2.714 -12.721 1.00 0.00 C ATOM 4 O LEU A 1 -19.276 -3.582 -12.153 1.00 0.00 O ATOM 5 CB LEU A 1 -17.380 -0.890 -11.550 1.00 0.00 C ATOM 6 CG LEU A 1 -17.201 0.629 -11.561 1.00 0.00 C ATOM 7 CD1 LEU A 1 -17.836 1.227 -10.304 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.708 0.966 -11.587 1.00 0.00 C ATOM 0 H1 LEU A 1 -20.298 -0.164 -11.557 1.00 0.00 H new ATOM 0 H2 LEU A 1 -20.510 -1.847 -11.481 1.00 0.00 H new ATOM 0 H3 LEU A 1 -19.492 -1.068 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 1 -18.800 -0.614 -13.146 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -17.408 -1.256 -10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -16.531 -1.370 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.684 1.045 -12.445 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -17.708 2.309 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -18.899 0.987 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -17.353 0.811 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.579 2.048 -11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.226 0.550 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.254 0.540 -12.482 1.00 0.00 H new ATOM 22 N GLY A 2 -17.809 -2.972 -13.747 1.00 0.00 N ATOM 23 CA GLY A 2 -17.663 -4.328 -14.267 1.00 0.00 C ATOM 24 C GLY A 2 -16.670 -5.125 -13.430 1.00 0.00 C ATOM 25 O GLY A 2 -16.809 -5.233 -12.211 1.00 0.00 O ATOM 0 H GLY A 2 -17.252 -2.268 -14.231 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.631 -4.829 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.325 -4.291 -15.303 1.00 0.00 H new ATOM 29 N ALA A 3 -15.663 -5.683 -14.098 1.00 0.00 N ATOM 30 CA ALA A 3 -14.647 -6.472 -13.405 1.00 0.00 C ATOM 31 C ALA A 3 -13.325 -6.418 -14.164 1.00 0.00 C ATOM 32 O ALA A 3 -13.177 -7.020 -15.227 1.00 0.00 O ATOM 33 CB ALA A 3 -15.093 -7.930 -13.283 1.00 0.00 C ATOM 0 H ALA A 3 -15.529 -5.605 -15.106 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.513 -6.050 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.325 -8.503 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.025 -7.980 -12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.248 -8.348 -14.278 1.00 0.00 H new ATOM 39 N SER A 4 -12.365 -5.688 -13.602 1.00 0.00 N ATOM 40 CA SER A 4 -11.053 -5.559 -14.232 1.00 0.00 C ATOM 41 C SER A 4 -10.148 -6.713 -13.816 1.00 0.00 C ATOM 42 O SER A 4 -9.840 -6.886 -12.637 1.00 0.00 O ATOM 43 CB SER A 4 -10.394 -4.239 -13.830 1.00 0.00 C ATOM 44 OG SER A 4 -11.403 -3.274 -13.557 1.00 0.00 O ATOM 0 H SER A 4 -12.468 -5.182 -12.722 1.00 0.00 H new ATOM 0 HA SER A 4 -11.195 -5.579 -15.313 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.767 -4.385 -12.950 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.743 -3.886 -14.630 1.00 0.00 H new ATOM 0 HG SER A 4 -10.984 -2.427 -13.297 1.00 0.00 H new ATOM 50 N TRP A 5 -9.724 -7.501 -14.799 1.00 0.00 N ATOM 51 CA TRP A 5 -8.851 -8.640 -14.529 1.00 0.00 C ATOM 52 C TRP A 5 -7.824 -8.802 -15.645 1.00 0.00 C ATOM 53 O TRP A 5 -7.415 -9.914 -15.975 1.00 0.00 O ATOM 54 CB TRP A 5 -9.671 -9.927 -14.413 1.00 0.00 C ATOM 55 CG TRP A 5 -8.911 -10.931 -13.608 1.00 0.00 C ATOM 56 CD1 TRP A 5 -8.837 -10.948 -12.257 1.00 0.00 C ATOM 57 CD2 TRP A 5 -8.120 -12.062 -14.075 1.00 0.00 C ATOM 58 NE1 TRP A 5 -8.049 -12.015 -11.865 1.00 0.00 N ATOM 59 CE2 TRP A 5 -7.584 -12.733 -12.950 1.00 0.00 C ATOM 60 CE3 TRP A 5 -7.816 -12.565 -15.354 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.777 -13.863 -13.088 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -7.005 -13.703 -15.495 1.00 0.00 C ATOM 63 CH2 TRP A 5 -6.487 -14.350 -14.365 1.00 0.00 C ATOM 0 H TRP A 5 -9.967 -7.375 -15.781 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.335 -8.453 -13.587 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -10.631 -9.718 -13.941 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.884 -10.326 -15.405 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.315 -10.243 -11.593 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.837 -12.244 -10.894 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.209 -12.073 -16.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.379 -14.358 -12.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -6.779 -14.082 -16.481 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.864 -15.225 -14.481 1.00 0.00 H new ATOM 74 N HIS A 6 -7.413 -7.676 -16.221 1.00 0.00 N ATOM 75 CA HIS A 6 -6.432 -7.700 -17.303 1.00 0.00 C ATOM 76 C HIS A 6 -5.058 -7.292 -16.784 1.00 0.00 C ATOM 77 O HIS A 6 -4.146 -8.113 -16.679 1.00 0.00 O ATOM 78 CB HIS A 6 -6.845 -6.745 -18.424 1.00 0.00 C ATOM 79 CG HIS A 6 -8.103 -7.251 -19.076 1.00 0.00 C ATOM 80 ND1 HIS A 6 -9.304 -6.562 -19.001 1.00 0.00 N ATOM 81 CD2 HIS A 6 -8.363 -8.377 -19.816 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.222 -7.273 -19.679 1.00 0.00 C ATOM 83 NE2 HIS A 6 -9.702 -8.389 -20.197 1.00 0.00 N ATOM 0 H HIS A 6 -7.739 -6.745 -15.961 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.387 -8.717 -17.693 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.008 -5.745 -18.023 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.047 -6.666 -19.162 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.639 -9.138 -20.065 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.255 -6.978 -19.791 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.182 -9.097 -20.752 1.00 0.00 H new ATOM 91 N ARG A 7 -4.922 -6.012 -16.459 1.00 0.00 N ATOM 92 CA ARG A 7 -3.656 -5.492 -15.948 1.00 0.00 C ATOM 93 C ARG A 7 -3.457 -5.897 -14.480 1.00 0.00 C ATOM 94 O ARG A 7 -2.419 -6.454 -14.127 1.00 0.00 O ATOM 95 CB ARG A 7 -3.613 -3.961 -16.068 1.00 0.00 C ATOM 96 CG ARG A 7 -2.281 -3.522 -16.685 1.00 0.00 C ATOM 97 CD ARG A 7 -2.463 -2.174 -17.385 1.00 0.00 C ATOM 98 NE ARG A 7 -2.121 -1.073 -16.481 1.00 0.00 N ATOM 99 CZ ARG A 7 -1.867 0.165 -16.930 1.00 0.00 C ATOM 100 NH1 ARG A 7 -1.914 0.448 -18.210 1.00 0.00 N ATOM 101 NH2 ARG A 7 -1.568 1.106 -16.077 1.00 0.00 N ATOM 0 H ARG A 7 -5.665 -5.318 -16.539 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.852 -5.919 -16.547 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.441 -3.613 -16.685 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.735 -3.507 -15.085 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.518 -3.442 -15.911 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.934 -4.270 -17.398 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.833 -2.131 -18.273 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.495 -2.069 -17.721 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.075 -1.254 -15.478 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.147 -0.280 -18.885 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.717 1.396 -18.530 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.529 0.897 -15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.373 2.051 -16.408 1.00 0.00 H new ATOM 115 N PRO A 8 -4.442 -5.627 -13.603 1.00 0.00 N ATOM 116 CA PRO A 8 -4.328 -5.985 -12.177 1.00 0.00 C ATOM 117 C PRO A 8 -4.663 -7.450 -11.911 1.00 0.00 C ATOM 118 O PRO A 8 -5.830 -7.834 -11.839 1.00 0.00 O ATOM 119 CB PRO A 8 -5.358 -5.069 -11.527 1.00 0.00 C ATOM 120 CG PRO A 8 -6.377 -4.708 -12.601 1.00 0.00 C ATOM 121 CD PRO A 8 -5.719 -4.961 -13.961 1.00 0.00 C ATOM 0 HA PRO A 8 -3.314 -5.864 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.843 -5.568 -10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.881 -4.172 -11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.279 -5.311 -12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.678 -3.665 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.339 -5.594 -14.596 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.550 -4.032 -14.505 1.00 0.00 H new ATOM 129 N ASP A 9 -3.621 -8.264 -11.765 1.00 0.00 N ATOM 130 CA ASP A 9 -3.810 -9.689 -11.505 1.00 0.00 C ATOM 131 C ASP A 9 -2.797 -10.182 -10.479 1.00 0.00 C ATOM 132 O ASP A 9 -2.346 -11.327 -10.528 1.00 0.00 O ATOM 133 CB ASP A 9 -3.646 -10.495 -12.796 1.00 0.00 C ATOM 134 CG ASP A 9 -2.304 -10.159 -13.437 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.319 -10.769 -13.056 1.00 0.00 O ATOM 136 OD2 ASP A 9 -2.281 -9.298 -14.302 1.00 0.00 O ATOM 0 H ASP A 9 -2.647 -7.966 -11.821 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.818 -9.829 -11.116 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.701 -11.562 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.458 -10.266 -13.486 1.00 0.00 H new ATOM 141 N LYS A 10 -2.444 -9.304 -9.545 1.00 0.00 N ATOM 142 CA LYS A 10 -1.480 -9.656 -8.505 1.00 0.00 C ATOM 143 C LYS A 10 -1.922 -9.092 -7.158 1.00 0.00 C ATOM 144 O LYS A 10 -1.739 -7.908 -6.871 1.00 0.00 O ATOM 145 CB LYS A 10 -0.093 -9.106 -8.849 1.00 0.00 C ATOM 146 CG LYS A 10 -0.183 -7.599 -9.102 1.00 0.00 C ATOM 147 CD LYS A 10 0.962 -7.163 -10.019 1.00 0.00 C ATOM 148 CE LYS A 10 2.297 -7.350 -9.296 1.00 0.00 C ATOM 149 NZ LYS A 10 3.414 -6.999 -10.216 1.00 0.00 N ATOM 0 H LYS A 10 -2.806 -8.352 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.431 -10.743 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.601 -9.307 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.300 -9.610 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.142 -7.353 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.132 -7.058 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.949 -7.749 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.835 -6.119 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.332 -6.720 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.399 -8.382 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.322 -7.126 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.383 -7.618 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.319 -6.008 -10.516 1.00 0.00 H new ATOM 163 N CYS A 11 -2.509 -9.953 -6.331 1.00 0.00 N ATOM 164 CA CYS A 11 -2.975 -9.530 -5.015 1.00 0.00 C ATOM 165 C CYS A 11 -1.829 -9.581 -4.008 1.00 0.00 C ATOM 166 O CYS A 11 -0.676 -9.807 -4.372 1.00 0.00 O ATOM 167 CB CYS A 11 -4.109 -10.437 -4.528 1.00 0.00 C ATOM 168 SG CYS A 11 -5.414 -10.508 -5.783 1.00 0.00 S ATOM 0 H CYS A 11 -2.672 -10.937 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.343 -8.508 -5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.727 -11.438 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.514 -10.058 -3.589 1.00 0.00 H new ATOM 173 N CYS A 12 -2.161 -9.367 -2.738 1.00 0.00 N ATOM 174 CA CYS A 12 -1.148 -9.388 -1.686 1.00 0.00 C ATOM 175 C CYS A 12 -1.570 -10.331 -0.562 1.00 0.00 C ATOM 176 O CYS A 12 -2.719 -10.319 -0.120 1.00 0.00 O ATOM 177 CB CYS A 12 -0.945 -7.979 -1.114 1.00 0.00 C ATOM 178 SG CYS A 12 0.805 -7.716 -0.729 1.00 0.00 S ATOM 0 H CYS A 12 -3.110 -9.179 -2.415 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.212 -9.740 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.284 -7.233 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.547 -7.852 -0.214 1.00 0.00 H new ATOM 183 N LEU A 13 -0.624 -11.146 -0.105 1.00 0.00 N ATOM 184 CA LEU A 13 -0.903 -12.095 0.970 1.00 0.00 C ATOM 185 C LEU A 13 -0.666 -11.445 2.328 1.00 0.00 C ATOM 186 O LEU A 13 -1.397 -11.688 3.288 1.00 0.00 O ATOM 187 CB LEU A 13 -0.007 -13.328 0.844 1.00 0.00 C ATOM 188 CG LEU A 13 -0.083 -14.050 -0.503 1.00 0.00 C ATOM 189 CD1 LEU A 13 0.904 -15.219 -0.512 1.00 0.00 C ATOM 190 CD2 LEU A 13 -1.502 -14.581 -0.716 1.00 0.00 C ATOM 0 H LEU A 13 0.333 -11.170 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.947 -12.397 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.026 -13.027 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.272 -14.033 1.632 1.00 0.00 H new ATOM 0 HG LEU A 13 0.170 -13.354 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.850 -15.733 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.915 -14.842 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.651 -15.915 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.558 -15.096 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.754 -15.277 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.207 -13.749 -0.709 1.00 0.00 H new ATOM 202 N GLY A 14 0.368 -10.611 2.396 1.00 0.00 N ATOM 203 CA GLY A 14 0.701 -9.924 3.641 1.00 0.00 C ATOM 204 C GLY A 14 0.377 -8.438 3.538 1.00 0.00 C ATOM 205 O GLY A 14 -0.340 -8.006 2.636 1.00 0.00 O ATOM 0 H GLY A 14 0.984 -10.396 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.144 -10.367 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.760 -10.056 3.863 1.00 0.00 H new ATOM 209 N TYR A 15 0.914 -7.659 4.473 1.00 0.00 N ATOM 210 CA TYR A 15 0.675 -6.219 4.477 1.00 0.00 C ATOM 211 C TYR A 15 1.829 -5.486 5.154 1.00 0.00 C ATOM 212 O TYR A 15 2.767 -6.105 5.658 1.00 0.00 O ATOM 213 CB TYR A 15 -0.627 -5.893 5.210 1.00 0.00 C ATOM 214 CG TYR A 15 -1.798 -6.357 4.380 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.354 -5.505 3.419 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.326 -7.640 4.565 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.438 -5.932 2.646 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.411 -8.069 3.792 1.00 0.00 C ATOM 219 CZ TYR A 15 -3.967 -7.214 2.831 1.00 0.00 C ATOM 220 OH TYR A 15 -5.036 -7.637 2.068 1.00 0.00 O ATOM 0 H TYR A 15 1.510 -7.995 5.229 1.00 0.00 H new ATOM 0 HA TYR A 15 0.598 -5.889 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.641 -6.382 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.697 -4.820 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.945 -4.516 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.896 -8.299 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.867 -5.272 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.819 -9.058 3.936 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.838 -7.133 2.320 1.00 0.00 H new ATOM 230 N GLN A 16 1.749 -4.157 5.156 1.00 0.00 N ATOM 231 CA GLN A 16 2.793 -3.334 5.770 1.00 0.00 C ATOM 232 C GLN A 16 2.973 -3.698 7.243 1.00 0.00 C ATOM 233 O GLN A 16 4.094 -3.844 7.730 1.00 0.00 O ATOM 234 CB GLN A 16 2.431 -1.843 5.661 1.00 0.00 C ATOM 235 CG GLN A 16 3.556 -0.974 6.241 1.00 0.00 C ATOM 236 CD GLN A 16 4.855 -1.211 5.472 1.00 0.00 C ATOM 237 OE1 GLN A 16 4.845 -1.771 4.375 1.00 0.00 O ATOM 238 NE2 GLN A 16 5.985 -0.815 5.991 1.00 0.00 N ATOM 0 H GLN A 16 0.980 -3.629 4.744 1.00 0.00 H new ATOM 0 HA GLN A 16 3.725 -3.524 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.261 -1.579 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.501 -1.648 6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.278 0.079 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.701 -1.210 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.994 -0.351 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.859 -0.969 5.488 1.00 0.00 H new ATOM 247 N LYS A 17 1.855 -3.831 7.946 1.00 0.00 N ATOM 248 CA LYS A 17 1.895 -4.165 9.369 1.00 0.00 C ATOM 249 C LYS A 17 2.668 -3.104 10.157 1.00 0.00 C ATOM 250 O LYS A 17 3.141 -3.360 11.265 1.00 0.00 O ATOM 251 CB LYS A 17 2.561 -5.526 9.582 1.00 0.00 C ATOM 252 CG LYS A 17 2.043 -6.152 10.878 1.00 0.00 C ATOM 253 CD LYS A 17 3.079 -7.139 11.417 1.00 0.00 C ATOM 254 CE LYS A 17 2.393 -8.142 12.348 1.00 0.00 C ATOM 255 NZ LYS A 17 1.775 -9.229 11.537 1.00 0.00 N ATOM 0 H LYS A 17 0.917 -3.715 7.562 1.00 0.00 H new ATOM 0 HA LYS A 17 0.867 -4.201 9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.348 -6.183 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.644 -5.409 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.847 -5.375 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.098 -6.664 10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.561 -7.663 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.861 -6.604 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.118 -8.561 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.631 -7.639 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.309 -9.911 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.072 -8.821 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.513 -9.714 10.988 1.00 0.00 H new ATOM 269 N ARG A 18 2.793 -1.907 9.576 1.00 0.00 N ATOM 270 CA ARG A 18 3.507 -0.818 10.235 1.00 0.00 C ATOM 271 C ARG A 18 3.090 0.525 9.621 1.00 0.00 C ATOM 272 O ARG A 18 2.857 0.606 8.415 1.00 0.00 O ATOM 273 CB ARG A 18 5.018 -0.991 10.072 1.00 0.00 C ATOM 274 CG ARG A 18 5.527 -2.023 11.080 1.00 0.00 C ATOM 275 CD ARG A 18 7.013 -1.784 11.350 1.00 0.00 C ATOM 276 NE ARG A 18 7.356 -2.163 12.723 1.00 0.00 N ATOM 277 CZ ARG A 18 7.499 -3.442 13.096 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.338 -4.422 12.239 1.00 0.00 N ATOM 279 NH2 ARG A 18 7.806 -3.718 14.334 1.00 0.00 N ATOM 0 H ARG A 18 2.412 -1.672 8.659 1.00 0.00 H new ATOM 0 HA ARG A 18 3.256 -0.836 11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.250 -1.314 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.522 -0.037 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.961 -1.949 12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.374 -3.031 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.613 -2.362 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.253 -0.734 11.186 1.00 0.00 H new ATOM 0 HE ARG A 18 7.490 -1.429 13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.100 -4.217 11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.451 -5.389 12.543 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.935 -2.963 15.008 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.917 -4.688 14.628 1.00 0.00 H new ATOM 293 N PRO A 19 2.980 1.595 10.427 1.00 0.00 N ATOM 294 CA PRO A 19 2.581 2.916 9.911 1.00 0.00 C ATOM 295 C PRO A 19 3.743 3.715 9.326 1.00 0.00 C ATOM 296 O PRO A 19 4.764 3.927 9.979 1.00 0.00 O ATOM 297 CB PRO A 19 2.022 3.593 11.155 1.00 0.00 C ATOM 298 CG PRO A 19 2.654 2.906 12.363 1.00 0.00 C ATOM 299 CD PRO A 19 3.237 1.572 11.885 1.00 0.00 C ATOM 0 HA PRO A 19 1.878 2.841 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.255 4.658 11.152 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.936 3.505 11.186 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.435 3.532 12.795 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.910 2.741 13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.302 1.496 12.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.750 0.724 12.367 1.00 0.00 H new ATOM 307 N LEU A 20 3.564 4.159 8.083 1.00 0.00 N ATOM 308 CA LEU A 20 4.594 4.944 7.400 1.00 0.00 C ATOM 309 C LEU A 20 4.103 6.382 7.193 1.00 0.00 C ATOM 310 O LEU A 20 2.899 6.634 7.207 1.00 0.00 O ATOM 311 CB LEU A 20 4.946 4.334 6.029 1.00 0.00 C ATOM 312 CG LEU A 20 4.571 2.860 5.830 1.00 0.00 C ATOM 313 CD1 LEU A 20 5.048 2.393 4.454 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.239 2.013 6.913 1.00 0.00 C ATOM 0 H LEU A 20 2.723 3.991 7.531 1.00 0.00 H new ATOM 0 HA LEU A 20 5.486 4.938 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.452 4.921 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.020 4.439 5.872 1.00 0.00 H new ATOM 0 HG LEU A 20 3.489 2.749 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.782 1.346 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.573 2.996 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.130 2.504 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.973 0.966 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.321 2.124 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.900 2.344 7.895 1.00 0.00 H new ATOM 326 N PRO A 21 5.021 7.342 6.988 1.00 0.00 N ATOM 327 CA PRO A 21 4.635 8.746 6.770 1.00 0.00 C ATOM 328 C PRO A 21 4.243 9.021 5.321 1.00 0.00 C ATOM 329 O PRO A 21 4.895 8.552 4.388 1.00 0.00 O ATOM 330 CB PRO A 21 5.912 9.496 7.135 1.00 0.00 C ATOM 331 CG PRO A 21 7.070 8.518 6.953 1.00 0.00 C ATOM 332 CD PRO A 21 6.482 7.101 6.961 1.00 0.00 C ATOM 0 HA PRO A 21 3.761 9.038 7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.042 10.370 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.868 9.855 8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.592 8.711 6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.800 8.635 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.781 6.536 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.813 6.533 7.830 1.00 0.00 H new ATOM 340 N GLN A 22 3.174 9.789 5.143 1.00 0.00 N ATOM 341 CA GLN A 22 2.704 10.129 3.801 1.00 0.00 C ATOM 342 C GLN A 22 3.655 11.117 3.109 1.00 0.00 C ATOM 343 O GLN A 22 3.503 11.406 1.922 1.00 0.00 O ATOM 344 CB GLN A 22 1.308 10.753 3.875 1.00 0.00 C ATOM 345 CG GLN A 22 0.652 10.717 2.491 1.00 0.00 C ATOM 346 CD GLN A 22 0.842 12.061 1.796 1.00 0.00 C ATOM 347 OE1 GLN A 22 1.442 12.134 0.725 1.00 0.00 O ATOM 348 NE2 GLN A 22 0.360 13.140 2.348 1.00 0.00 N ATOM 0 H GLN A 22 2.620 10.186 5.902 1.00 0.00 H new ATOM 0 HA GLN A 22 2.672 9.207 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.694 10.210 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.377 11.782 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.092 9.921 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.411 10.494 2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.138 13.080 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.481 14.044 1.891 1.00 0.00 H new ATOM 357 N VAL A 23 4.633 11.640 3.859 1.00 0.00 N ATOM 358 CA VAL A 23 5.589 12.599 3.307 1.00 0.00 C ATOM 359 C VAL A 23 6.261 12.059 2.040 1.00 0.00 C ATOM 360 O VAL A 23 6.417 12.775 1.051 1.00 0.00 O ATOM 361 CB VAL A 23 6.651 12.936 4.368 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.462 11.685 4.722 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.595 14.012 3.838 1.00 0.00 C ATOM 0 H VAL A 23 4.780 11.415 4.843 1.00 0.00 H new ATOM 0 HA VAL A 23 5.045 13.503 3.032 1.00 0.00 H new ATOM 0 HB VAL A 23 6.144 13.302 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.210 11.937 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.795 10.919 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.959 11.308 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.344 14.245 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.091 13.650 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.026 14.911 3.602 1.00 0.00 H new ATOM 373 N LEU A 24 6.652 10.794 2.085 1.00 0.00 N ATOM 374 CA LEU A 24 7.304 10.168 0.939 1.00 0.00 C ATOM 375 C LEU A 24 6.265 9.495 0.042 1.00 0.00 C ATOM 376 O LEU A 24 6.439 9.389 -1.171 1.00 0.00 O ATOM 377 CB LEU A 24 8.353 9.136 1.419 1.00 0.00 C ATOM 378 CG LEU A 24 7.937 7.649 1.400 1.00 0.00 C ATOM 379 CD1 LEU A 24 9.133 6.781 1.785 1.00 0.00 C ATOM 380 CD2 LEU A 24 6.782 7.411 2.387 1.00 0.00 C ATOM 0 H LEU A 24 6.532 10.184 2.893 1.00 0.00 H new ATOM 0 HA LEU A 24 7.814 10.939 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.243 9.246 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.639 9.394 2.439 1.00 0.00 H new ATOM 0 HG LEU A 24 7.603 7.384 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.840 5.731 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.943 6.941 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.471 7.051 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.496 6.359 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.102 7.680 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.928 8.025 2.102 1.00 0.00 H new ATOM 392 N LEU A 25 5.194 9.016 0.669 1.00 0.00 N ATOM 393 CA LEU A 25 4.139 8.324 -0.063 1.00 0.00 C ATOM 394 C LEU A 25 3.553 9.206 -1.159 1.00 0.00 C ATOM 395 O LEU A 25 3.487 10.428 -1.033 1.00 0.00 O ATOM 396 CB LEU A 25 3.021 7.887 0.884 1.00 0.00 C ATOM 397 CG LEU A 25 2.336 6.562 0.529 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.388 5.464 0.349 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.380 6.168 1.657 1.00 0.00 C ATOM 0 H LEU A 25 5.035 9.093 1.674 1.00 0.00 H new ATOM 0 HA LEU A 25 4.589 7.445 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.432 7.805 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.264 8.671 0.911 1.00 0.00 H new ATOM 0 HG LEU A 25 1.780 6.683 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.895 4.525 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.071 5.742 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.949 5.342 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.891 5.226 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.940 6.051 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.626 6.945 1.783 1.00 0.00 H new ATOM 411 N SER A 26 3.134 8.560 -2.242 1.00 0.00 N ATOM 412 CA SER A 26 2.556 9.279 -3.374 1.00 0.00 C ATOM 413 C SER A 26 1.057 9.007 -3.490 1.00 0.00 C ATOM 414 O SER A 26 0.234 9.904 -3.299 1.00 0.00 O ATOM 415 CB SER A 26 3.240 8.862 -4.677 1.00 0.00 C ATOM 416 OG SER A 26 3.319 9.984 -5.546 1.00 0.00 O ATOM 0 H SER A 26 3.183 7.548 -2.361 1.00 0.00 H new ATOM 0 HA SER A 26 2.712 10.344 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.238 8.477 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.680 8.057 -5.154 1.00 0.00 H new ATOM 0 HG SER A 26 3.758 9.720 -6.381 1.00 0.00 H new ATOM 422 N SER A 27 0.709 7.763 -3.813 1.00 0.00 N ATOM 423 CA SER A 27 -0.697 7.389 -3.961 1.00 0.00 C ATOM 424 C SER A 27 -0.896 5.910 -3.608 1.00 0.00 C ATOM 425 O SER A 27 -0.029 5.281 -3.001 1.00 0.00 O ATOM 426 CB SER A 27 -1.159 7.646 -5.401 1.00 0.00 C ATOM 427 OG SER A 27 -2.220 8.593 -5.389 1.00 0.00 O ATOM 0 H SER A 27 1.372 7.005 -3.976 1.00 0.00 H new ATOM 0 HA SER A 27 -1.292 7.996 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.329 8.019 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.491 6.715 -5.861 1.00 0.00 H new ATOM 0 HG SER A 27 -2.411 8.882 -6.306 1.00 0.00 H new ATOM 433 N TRP A 28 -2.051 5.369 -3.994 1.00 0.00 N ATOM 434 CA TRP A 28 -2.364 3.967 -3.714 1.00 0.00 C ATOM 435 C TRP A 28 -3.287 3.406 -4.790 1.00 0.00 C ATOM 436 O TRP A 28 -4.224 4.071 -5.228 1.00 0.00 O ATOM 437 CB TRP A 28 -3.066 3.827 -2.359 1.00 0.00 C ATOM 438 CG TRP A 28 -4.211 4.790 -2.286 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.109 6.078 -1.890 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.614 4.572 -2.619 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.358 6.668 -1.957 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.319 5.781 -2.401 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.341 3.457 -3.082 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.691 5.878 -2.638 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.721 3.555 -3.319 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.394 4.763 -3.100 1.00 0.00 C ATOM 0 H TRP A 28 -2.780 5.874 -4.497 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.424 3.415 -3.700 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.427 2.807 -2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.361 4.022 -1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.200 6.567 -1.573 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.546 7.639 -1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.833 2.520 -3.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.207 6.811 -2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.267 2.693 -3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.455 4.833 -3.288 1.00 0.00 H new ATOM 457 N TYR A 29 -3.023 2.167 -5.201 1.00 0.00 N ATOM 458 CA TYR A 29 -3.862 1.530 -6.217 1.00 0.00 C ATOM 459 C TYR A 29 -4.531 0.272 -5.637 1.00 0.00 C ATOM 460 O TYR A 29 -3.890 -0.495 -4.918 1.00 0.00 O ATOM 461 CB TYR A 29 -3.046 1.173 -7.474 1.00 0.00 C ATOM 462 CG TYR A 29 -2.039 0.075 -7.194 1.00 0.00 C ATOM 463 CD1 TYR A 29 -0.840 0.366 -6.531 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.300 -1.233 -7.621 1.00 0.00 C ATOM 465 CE1 TYR A 29 0.094 -0.648 -6.294 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.364 -2.248 -7.387 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.167 -1.955 -6.723 1.00 0.00 C ATOM 468 OH TYR A 29 0.756 -2.955 -6.491 1.00 0.00 O ATOM 0 H TYR A 29 -2.253 1.594 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.634 2.240 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.721 0.854 -8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.526 2.060 -7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.636 1.374 -6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.224 -1.459 -8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.017 -0.423 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.565 -3.256 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 29 0.419 -3.802 -6.852 1.00 0.00 H new ATOM 478 N PRO A 30 -5.830 0.046 -5.920 1.00 0.00 N ATOM 479 CA PRO A 30 -6.546 -1.127 -5.386 1.00 0.00 C ATOM 480 C PRO A 30 -6.302 -2.397 -6.196 1.00 0.00 C ATOM 481 O PRO A 30 -6.058 -2.351 -7.401 1.00 0.00 O ATOM 482 CB PRO A 30 -8.003 -0.695 -5.491 1.00 0.00 C ATOM 483 CG PRO A 30 -8.076 0.370 -6.579 1.00 0.00 C ATOM 484 CD PRO A 30 -6.663 0.922 -6.777 1.00 0.00 C ATOM 0 HA PRO A 30 -6.220 -1.386 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.640 -1.544 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.357 -0.299 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.455 -0.056 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.762 1.166 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.355 0.873 -7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.593 1.966 -6.473 1.00 0.00 H new ATOM 492 N THR A 31 -6.379 -3.534 -5.510 1.00 0.00 N ATOM 493 CA THR A 31 -6.173 -4.825 -6.160 1.00 0.00 C ATOM 494 C THR A 31 -7.496 -5.587 -6.235 1.00 0.00 C ATOM 495 O THR A 31 -8.544 -5.077 -5.838 1.00 0.00 O ATOM 496 CB THR A 31 -5.144 -5.653 -5.382 1.00 0.00 C ATOM 497 OG1 THR A 31 -4.997 -6.931 -5.986 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.601 -5.819 -3.931 1.00 0.00 C ATOM 0 H THR A 31 -6.581 -3.588 -4.512 1.00 0.00 H new ATOM 0 HA THR A 31 -5.799 -4.653 -7.169 1.00 0.00 H new ATOM 0 HB THR A 31 -4.185 -5.135 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.192 -6.938 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.866 -6.408 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.699 -4.838 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.564 -6.329 -3.909 1.00 0.00 H new ATOM 506 N SER A 32 -7.437 -6.813 -6.749 1.00 0.00 N ATOM 507 CA SER A 32 -8.638 -7.638 -6.873 1.00 0.00 C ATOM 508 C SER A 32 -9.270 -7.877 -5.504 1.00 0.00 C ATOM 509 O SER A 32 -8.575 -8.002 -4.496 1.00 0.00 O ATOM 510 CB SER A 32 -8.293 -8.985 -7.506 1.00 0.00 C ATOM 511 OG SER A 32 -8.395 -8.879 -8.920 1.00 0.00 O ATOM 0 H SER A 32 -6.581 -7.255 -7.083 1.00 0.00 H new ATOM 0 HA SER A 32 -9.347 -7.107 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.284 -9.285 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.969 -9.757 -7.138 1.00 0.00 H new ATOM 0 HG SER A 32 -8.173 -9.741 -9.330 1.00 0.00 H new ATOM 517 N GLN A 33 -10.600 -7.931 -5.480 1.00 0.00 N ATOM 518 CA GLN A 33 -11.324 -8.148 -4.229 1.00 0.00 C ATOM 519 C GLN A 33 -11.821 -9.591 -4.130 1.00 0.00 C ATOM 520 O GLN A 33 -12.938 -9.851 -3.679 1.00 0.00 O ATOM 521 CB GLN A 33 -12.519 -7.196 -4.134 1.00 0.00 C ATOM 522 CG GLN A 33 -12.825 -6.905 -2.664 1.00 0.00 C ATOM 523 CD GLN A 33 -11.766 -5.963 -2.100 1.00 0.00 C ATOM 524 OE1 GLN A 33 -11.281 -5.075 -2.800 1.00 0.00 O ATOM 525 NE2 GLN A 33 -11.378 -6.105 -0.862 1.00 0.00 N ATOM 0 H GLN A 33 -11.193 -7.829 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.636 -7.953 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.300 -6.268 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.390 -7.639 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.814 -6.456 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.841 -7.834 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.781 -6.842 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.672 -5.479 -0.474 1.00 0.00 H new ATOM 534 N LEU A 34 -10.974 -10.529 -4.548 1.00 0.00 N ATOM 535 CA LEU A 34 -11.336 -11.944 -4.493 1.00 0.00 C ATOM 536 C LEU A 34 -10.082 -12.806 -4.354 1.00 0.00 C ATOM 537 O LEU A 34 -9.955 -13.856 -4.984 1.00 0.00 O ATOM 538 CB LEU A 34 -12.114 -12.370 -5.749 1.00 0.00 C ATOM 539 CG LEU A 34 -11.623 -11.796 -7.089 1.00 0.00 C ATOM 540 CD1 LEU A 34 -11.972 -10.308 -7.179 1.00 0.00 C ATOM 541 CD2 LEU A 34 -10.107 -11.978 -7.217 1.00 0.00 C ATOM 0 H LEU A 34 -10.045 -10.340 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.977 -12.089 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.088 -13.458 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.157 -12.084 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.116 -12.331 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.621 -9.909 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.053 -10.183 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.491 -9.771 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.770 -11.568 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.608 -11.456 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.863 -13.039 -7.172 1.00 0.00 H new ATOM 553 N CYS A 35 -9.155 -12.341 -3.522 1.00 0.00 N ATOM 554 CA CYS A 35 -7.906 -13.064 -3.305 1.00 0.00 C ATOM 555 C CYS A 35 -7.795 -13.521 -1.854 1.00 0.00 C ATOM 556 O CYS A 35 -6.708 -13.549 -1.277 1.00 0.00 O ATOM 557 CB CYS A 35 -6.711 -12.169 -3.630 1.00 0.00 C ATOM 558 SG CYS A 35 -6.360 -12.248 -5.401 1.00 0.00 S ATOM 0 H CYS A 35 -9.243 -11.475 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.905 -13.934 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.923 -11.141 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.838 -12.489 -3.061 1.00 0.00 H new ATOM 563 N SER A 36 -8.935 -13.881 -1.264 1.00 0.00 N ATOM 564 CA SER A 36 -8.964 -14.336 0.132 1.00 0.00 C ATOM 565 C SER A 36 -8.712 -13.170 1.083 1.00 0.00 C ATOM 566 O SER A 36 -9.574 -12.810 1.886 1.00 0.00 O ATOM 567 CB SER A 36 -7.916 -15.426 0.386 1.00 0.00 C ATOM 568 OG SER A 36 -8.320 -16.216 1.497 1.00 0.00 O ATOM 0 H SER A 36 -9.845 -13.868 -1.724 1.00 0.00 H new ATOM 0 HA SER A 36 -9.955 -14.751 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.804 -16.052 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.944 -14.974 0.581 1.00 0.00 H new ATOM 0 HG SER A 36 -7.653 -16.915 1.661 1.00 0.00 H new ATOM 574 N LYS A 37 -7.524 -12.582 0.988 1.00 0.00 N ATOM 575 CA LYS A 37 -7.174 -11.454 1.848 1.00 0.00 C ATOM 576 C LYS A 37 -6.638 -10.283 1.010 1.00 0.00 C ATOM 577 O LYS A 37 -5.445 -9.980 1.042 1.00 0.00 O ATOM 578 CB LYS A 37 -6.123 -11.868 2.888 1.00 0.00 C ATOM 579 CG LYS A 37 -4.869 -12.398 2.186 1.00 0.00 C ATOM 580 CD LYS A 37 -4.174 -13.421 3.088 1.00 0.00 C ATOM 581 CE LYS A 37 -3.163 -14.223 2.268 1.00 0.00 C ATOM 582 NZ LYS A 37 -3.100 -15.619 2.786 1.00 0.00 N ATOM 0 H LYS A 37 -6.794 -12.862 0.333 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.078 -11.136 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.865 -11.015 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.533 -12.635 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.138 -12.859 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.190 -11.575 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.670 -12.913 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.911 -14.091 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.452 -14.226 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.179 -13.757 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.413 -16.165 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.805 -15.606 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.038 -16.061 2.708 1.00 0.00 H new ATOM 596 N PRO A 38 -7.515 -9.607 0.246 1.00 0.00 N ATOM 597 CA PRO A 38 -7.100 -8.470 -0.594 1.00 0.00 C ATOM 598 C PRO A 38 -7.022 -7.157 0.184 1.00 0.00 C ATOM 599 O PRO A 38 -7.363 -7.096 1.365 1.00 0.00 O ATOM 600 CB PRO A 38 -8.211 -8.413 -1.635 1.00 0.00 C ATOM 601 CG PRO A 38 -9.440 -9.071 -1.014 1.00 0.00 C ATOM 602 CD PRO A 38 -8.960 -9.924 0.164 1.00 0.00 C ATOM 0 HA PRO A 38 -6.100 -8.600 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.426 -7.381 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.913 -8.934 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.150 -8.316 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.957 -9.688 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.481 -9.667 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.130 -10.986 -0.013 1.00 0.00 H new ATOM 610 N GLY A 39 -6.571 -6.108 -0.498 1.00 0.00 N ATOM 611 CA GLY A 39 -6.448 -4.794 0.125 1.00 0.00 C ATOM 612 C GLY A 39 -6.006 -3.759 -0.903 1.00 0.00 C ATOM 613 O GLY A 39 -6.445 -3.781 -2.053 1.00 0.00 O ATOM 0 H GLY A 39 -6.286 -6.142 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.403 -4.500 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.726 -4.837 0.941 1.00 0.00 H new ATOM 617 N VAL A 40 -5.128 -2.853 -0.482 1.00 0.00 N ATOM 618 CA VAL A 40 -4.632 -1.819 -1.386 1.00 0.00 C ATOM 619 C VAL A 40 -3.135 -1.607 -1.191 1.00 0.00 C ATOM 620 O VAL A 40 -2.635 -1.567 -0.068 1.00 0.00 O ATOM 621 CB VAL A 40 -5.352 -0.488 -1.150 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.958 0.506 -2.241 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.862 -0.706 -1.191 1.00 0.00 C ATOM 0 H VAL A 40 -4.750 -2.813 0.464 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.826 -2.158 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.067 -0.094 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.471 1.453 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.880 0.667 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.242 0.108 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.371 0.243 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.146 -1.102 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.149 -1.414 -0.414 1.00 0.00 H new ATOM 633 N ILE A 41 -2.432 -1.457 -2.307 1.00 0.00 N ATOM 634 CA ILE A 41 -0.994 -1.232 -2.272 1.00 0.00 C ATOM 635 C ILE A 41 -0.712 0.268 -2.399 1.00 0.00 C ATOM 636 O ILE A 41 -1.407 0.989 -3.115 1.00 0.00 O ATOM 637 CB ILE A 41 -0.317 -2.013 -3.413 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.378 -3.507 -3.090 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.152 -1.598 -3.577 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.775 -4.044 -3.407 1.00 0.00 C ATOM 0 H ILE A 41 -2.834 -1.487 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.588 -1.587 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.842 -1.794 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.370 -4.046 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.144 -3.672 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.602 -2.167 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.206 -0.534 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.692 -1.798 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.817 -5.108 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.514 -3.513 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.991 -3.893 -4.465 1.00 0.00 H new ATOM 652 N PHE A 42 0.313 0.724 -1.686 1.00 0.00 N ATOM 653 CA PHE A 42 0.680 2.136 -1.715 1.00 0.00 C ATOM 654 C PHE A 42 1.952 2.344 -2.529 1.00 0.00 C ATOM 655 O PHE A 42 3.000 1.778 -2.220 1.00 0.00 O ATOM 656 CB PHE A 42 0.925 2.651 -0.294 1.00 0.00 C ATOM 657 CG PHE A 42 -0.360 3.183 0.289 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.241 2.317 0.947 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.664 4.544 0.181 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.427 2.815 1.498 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.851 5.040 0.730 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.732 4.175 1.389 1.00 0.00 C ATOM 0 H PHE A 42 0.899 0.143 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.143 2.684 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.313 1.847 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.681 3.436 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.006 1.266 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.017 5.211 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.107 2.148 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.088 6.090 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.648 4.558 1.814 1.00 0.00 H new ATOM 672 N LEU A 43 1.855 3.173 -3.563 1.00 0.00 N ATOM 673 CA LEU A 43 3.015 3.459 -4.405 1.00 0.00 C ATOM 674 C LEU A 43 3.683 4.747 -3.936 1.00 0.00 C ATOM 675 O LEU A 43 3.208 5.845 -4.227 1.00 0.00 O ATOM 676 CB LEU A 43 2.613 3.614 -5.882 1.00 0.00 C ATOM 677 CG LEU A 43 1.316 2.908 -6.297 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.137 3.871 -6.139 1.00 0.00 C ATOM 679 CD2 LEU A 43 1.421 2.466 -7.759 1.00 0.00 C ATOM 0 H LEU A 43 0.998 3.654 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 43 3.705 2.620 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.513 4.677 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.425 3.235 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 43 1.159 2.035 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.785 3.369 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.062 4.186 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.293 4.744 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.500 1.964 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.578 3.339 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.260 1.780 -7.872 1.00 0.00 H new ATOM 691 N THR A 44 4.784 4.607 -3.204 1.00 0.00 N ATOM 692 CA THR A 44 5.493 5.779 -2.705 1.00 0.00 C ATOM 693 C THR A 44 6.023 6.611 -3.868 1.00 0.00 C ATOM 694 O THR A 44 6.025 6.166 -5.016 1.00 0.00 O ATOM 695 CB THR A 44 6.660 5.357 -1.813 1.00 0.00 C ATOM 696 OG1 THR A 44 7.601 4.630 -2.588 1.00 0.00 O ATOM 697 CG2 THR A 44 6.148 4.473 -0.672 1.00 0.00 C ATOM 0 H THR A 44 5.198 3.711 -2.947 1.00 0.00 H new ATOM 0 HA THR A 44 4.793 6.377 -2.121 1.00 0.00 H new ATOM 0 HB THR A 44 7.134 6.244 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.174 4.318 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.984 4.175 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.423 5.030 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.672 3.584 -1.086 1.00 0.00 H new ATOM 705 N LYS A 45 6.466 7.826 -3.560 1.00 0.00 N ATOM 706 CA LYS A 45 6.993 8.718 -4.591 1.00 0.00 C ATOM 707 C LYS A 45 8.190 8.084 -5.294 1.00 0.00 C ATOM 708 O LYS A 45 8.202 7.933 -6.516 1.00 0.00 O ATOM 709 CB LYS A 45 7.425 10.051 -3.973 1.00 0.00 C ATOM 710 CG LYS A 45 6.187 10.896 -3.668 1.00 0.00 C ATOM 711 CD LYS A 45 6.469 11.804 -2.468 1.00 0.00 C ATOM 712 CE LYS A 45 6.924 13.179 -2.962 1.00 0.00 C ATOM 713 NZ LYS A 45 7.494 13.952 -1.823 1.00 0.00 N ATOM 0 H LYS A 45 6.472 8.214 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 45 6.201 8.892 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.992 9.874 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.084 10.585 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.921 11.497 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.336 10.249 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.573 11.904 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.238 11.360 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.670 13.066 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.082 13.718 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.205 14.948 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.144 13.558 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.532 13.890 -1.846 1.00 0.00 H new ATOM 727 N ARG A 46 9.200 7.722 -4.509 1.00 0.00 N ATOM 728 CA ARG A 46 10.405 7.110 -5.066 1.00 0.00 C ATOM 729 C ARG A 46 10.789 5.822 -4.328 1.00 0.00 C ATOM 730 O ARG A 46 11.797 5.194 -4.654 1.00 0.00 O ATOM 731 CB ARG A 46 11.574 8.086 -4.971 1.00 0.00 C ATOM 732 CG ARG A 46 12.755 7.553 -5.784 1.00 0.00 C ATOM 733 CD ARG A 46 13.693 8.708 -6.139 1.00 0.00 C ATOM 734 NE ARG A 46 14.754 8.253 -7.041 1.00 0.00 N ATOM 735 CZ ARG A 46 15.826 9.009 -7.319 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.975 10.200 -6.789 1.00 0.00 N ATOM 737 NH2 ARG A 46 16.738 8.551 -8.131 1.00 0.00 N ATOM 0 H ARG A 46 9.211 7.839 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 46 10.189 6.865 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.275 9.065 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.867 8.218 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.292 6.797 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.396 7.070 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.127 9.511 -6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.133 9.119 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 46 14.675 7.332 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.268 10.567 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.798 10.759 -7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.632 7.626 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.557 9.118 -8.349 1.00 0.00 H new ATOM 751 N GLY A 47 9.996 5.431 -3.330 1.00 0.00 N ATOM 752 CA GLY A 47 10.296 4.224 -2.570 1.00 0.00 C ATOM 753 C GLY A 47 9.847 2.974 -3.319 1.00 0.00 C ATOM 754 O GLY A 47 10.418 2.609 -4.347 1.00 0.00 O ATOM 0 H GLY A 47 9.154 5.926 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.367 4.170 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.799 4.269 -1.601 1.00 0.00 H new ATOM 758 N ARG A 48 8.821 2.318 -2.785 1.00 0.00 N ATOM 759 CA ARG A 48 8.303 1.098 -3.402 1.00 0.00 C ATOM 760 C ARG A 48 6.823 0.917 -3.073 1.00 0.00 C ATOM 761 O ARG A 48 6.192 1.789 -2.474 1.00 0.00 O ATOM 762 CB ARG A 48 9.089 -0.121 -2.901 1.00 0.00 C ATOM 763 CG ARG A 48 10.157 -0.505 -3.927 1.00 0.00 C ATOM 764 CD ARG A 48 9.598 -1.569 -4.873 1.00 0.00 C ATOM 765 NE ARG A 48 9.628 -2.890 -4.240 1.00 0.00 N ATOM 766 CZ ARG A 48 9.407 -4.017 -4.933 1.00 0.00 C ATOM 767 NH1 ARG A 48 9.150 -3.986 -6.220 1.00 0.00 N ATOM 768 NH2 ARG A 48 9.446 -5.166 -4.316 1.00 0.00 N ATOM 0 H ARG A 48 8.335 2.605 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 48 8.418 1.186 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.557 0.105 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.412 -0.959 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.465 0.374 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.044 -0.884 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.575 -1.316 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.182 -1.588 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 48 9.823 -2.955 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.115 -3.093 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.985 -4.855 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.643 -5.201 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.279 -6.029 -4.834 1.00 0.00 H new ATOM 782 N GLN A 49 6.281 -0.236 -3.461 1.00 0.00 N ATOM 783 CA GLN A 49 4.877 -0.537 -3.193 1.00 0.00 C ATOM 784 C GLN A 49 4.711 -1.017 -1.753 1.00 0.00 C ATOM 785 O GLN A 49 5.649 -1.535 -1.148 1.00 0.00 O ATOM 786 CB GLN A 49 4.370 -1.624 -4.144 1.00 0.00 C ATOM 787 CG GLN A 49 3.809 -0.974 -5.410 1.00 0.00 C ATOM 788 CD GLN A 49 3.464 -2.055 -6.428 1.00 0.00 C ATOM 789 OE1 GLN A 49 3.198 -3.200 -6.061 1.00 0.00 O ATOM 790 NE2 GLN A 49 3.450 -1.758 -7.698 1.00 0.00 N ATOM 0 H GLN A 49 6.787 -0.970 -3.957 1.00 0.00 H new ATOM 0 HA GLN A 49 4.297 0.373 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.182 -2.305 -4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.598 -2.219 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.921 -0.390 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.540 -0.283 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.670 -0.810 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.219 -2.474 -8.387 1.00 0.00 H new ATOM 799 N VAL A 50 3.510 -0.839 -1.209 1.00 0.00 N ATOM 800 CA VAL A 50 3.241 -1.258 0.166 1.00 0.00 C ATOM 801 C VAL A 50 1.796 -1.732 0.312 1.00 0.00 C ATOM 802 O VAL A 50 0.856 -0.942 0.228 1.00 0.00 O ATOM 803 CB VAL A 50 3.494 -0.095 1.138 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.194 -0.524 2.579 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.957 0.330 1.050 1.00 0.00 C ATOM 0 H VAL A 50 2.717 -0.414 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 50 3.913 -2.083 0.405 1.00 0.00 H new ATOM 0 HB VAL A 50 2.840 0.733 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.379 0.312 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.151 -0.830 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.839 -1.359 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.138 1.155 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.597 -0.512 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.182 0.651 0.033 1.00 0.00 H new ATOM 815 N CYS A 51 1.636 -3.027 0.565 1.00 0.00 N ATOM 816 CA CYS A 51 0.307 -3.595 0.755 1.00 0.00 C ATOM 817 C CYS A 51 -0.254 -3.122 2.090 1.00 0.00 C ATOM 818 O CYS A 51 0.382 -3.283 3.132 1.00 0.00 O ATOM 819 CB CYS A 51 0.372 -5.124 0.761 1.00 0.00 C ATOM 820 SG CYS A 51 1.031 -5.711 -0.819 1.00 0.00 S ATOM 0 H CYS A 51 2.402 -3.697 0.643 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.333 -3.268 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.004 -5.468 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.622 -5.539 0.929 1.00 0.00 H new ATOM 825 N ALA A 52 -1.443 -2.527 2.059 1.00 0.00 N ATOM 826 CA ALA A 52 -2.049 -2.031 3.291 1.00 0.00 C ATOM 827 C ALA A 52 -3.569 -2.101 3.225 1.00 0.00 C ATOM 828 O ALA A 52 -4.195 -1.528 2.334 1.00 0.00 O ATOM 829 CB ALA A 52 -1.633 -0.581 3.542 1.00 0.00 C ATOM 0 H ALA A 52 -1.996 -2.379 1.215 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.699 -2.665 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.093 -0.225 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.548 -0.524 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.961 0.041 2.709 1.00 0.00 H new ATOM 835 N ASP A 53 -4.154 -2.803 4.191 1.00 0.00 N ATOM 836 CA ASP A 53 -5.605 -2.931 4.250 1.00 0.00 C ATOM 837 C ASP A 53 -6.211 -1.652 4.815 1.00 0.00 C ATOM 838 O ASP A 53 -5.850 -1.207 5.905 1.00 0.00 O ATOM 839 CB ASP A 53 -6.007 -4.111 5.138 1.00 0.00 C ATOM 840 CG ASP A 53 -5.839 -5.415 4.364 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.082 -5.407 3.168 1.00 0.00 O ATOM 842 OD2 ASP A 53 -5.470 -6.401 4.980 1.00 0.00 O ATOM 0 H ASP A 53 -3.652 -3.287 4.935 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.977 -3.104 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.392 -4.128 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.042 -3.999 5.462 1.00 0.00 H new ATOM 847 N LYS A 54 -7.131 -1.059 4.059 1.00 0.00 N ATOM 848 CA LYS A 54 -7.778 0.182 4.491 1.00 0.00 C ATOM 849 C LYS A 54 -8.431 0.021 5.866 1.00 0.00 C ATOM 850 O LYS A 54 -8.636 0.999 6.583 1.00 0.00 O ATOM 851 CB LYS A 54 -8.846 0.606 3.481 1.00 0.00 C ATOM 852 CG LYS A 54 -9.820 -0.551 3.252 1.00 0.00 C ATOM 853 CD LYS A 54 -11.136 -0.008 2.693 1.00 0.00 C ATOM 854 CE LYS A 54 -12.108 0.258 3.844 1.00 0.00 C ATOM 855 NZ LYS A 54 -12.819 -1.004 4.197 1.00 0.00 N ATOM 0 H LYS A 54 -7.444 -1.410 3.154 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.004 0.947 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.383 1.480 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.378 0.893 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.388 -1.272 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.001 -1.079 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.955 0.911 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.570 -0.724 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.567 0.637 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.827 1.025 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.480 -0.823 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.348 -1.348 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.126 -1.723 4.488 1.00 0.00 H new ATOM 869 N SER A 55 -8.753 -1.222 6.230 1.00 0.00 N ATOM 870 CA SER A 55 -9.377 -1.489 7.525 1.00 0.00 C ATOM 871 C SER A 55 -8.496 -0.980 8.668 1.00 0.00 C ATOM 872 O SER A 55 -8.989 -0.640 9.743 1.00 0.00 O ATOM 873 CB SER A 55 -9.611 -2.989 7.706 1.00 0.00 C ATOM 874 OG SER A 55 -8.615 -3.709 6.994 1.00 0.00 O ATOM 0 H SER A 55 -8.594 -2.049 5.654 1.00 0.00 H new ATOM 0 HA SER A 55 -10.332 -0.965 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.577 -3.249 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.602 -3.261 7.342 1.00 0.00 H new ATOM 0 HG SER A 55 -8.761 -4.671 7.110 1.00 0.00 H new ATOM 880 N LYS A 56 -7.186 -0.927 8.421 1.00 0.00 N ATOM 881 CA LYS A 56 -6.246 -0.454 9.436 1.00 0.00 C ATOM 882 C LYS A 56 -6.573 0.985 9.831 1.00 0.00 C ATOM 883 O LYS A 56 -7.588 1.541 9.412 1.00 0.00 O ATOM 884 CB LYS A 56 -4.811 -0.517 8.905 1.00 0.00 C ATOM 885 CG LYS A 56 -4.480 -1.956 8.504 1.00 0.00 C ATOM 886 CD LYS A 56 -3.059 -2.015 7.937 1.00 0.00 C ATOM 887 CE LYS A 56 -2.409 -3.344 8.321 1.00 0.00 C ATOM 888 NZ LYS A 56 -3.120 -4.461 7.638 1.00 0.00 N ATOM 0 H LYS A 56 -6.757 -1.202 7.538 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.335 -1.099 10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.700 0.146 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.114 -0.171 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.565 -2.614 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.194 -2.311 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.085 -1.911 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.468 -1.184 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.357 -3.341 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.448 -3.481 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.590 -5.345 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.073 -4.563 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.194 -4.255 6.621 1.00 0.00 H new ATOM 902 N ASP A 57 -5.709 1.580 10.648 1.00 0.00 N ATOM 903 CA ASP A 57 -5.927 2.951 11.099 1.00 0.00 C ATOM 904 C ASP A 57 -5.099 3.934 10.278 1.00 0.00 C ATOM 905 O ASP A 57 -5.643 4.813 9.606 1.00 0.00 O ATOM 906 CB ASP A 57 -5.552 3.096 12.574 1.00 0.00 C ATOM 907 CG ASP A 57 -6.305 4.275 13.179 1.00 0.00 C ATOM 908 OD1 ASP A 57 -7.520 4.298 13.065 1.00 0.00 O ATOM 909 OD2 ASP A 57 -5.657 5.139 13.746 1.00 0.00 O ATOM 0 H ASP A 57 -4.861 1.141 11.008 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.985 3.177 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.795 2.181 13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.477 3.248 12.673 1.00 0.00 H new ATOM 914 N TRP A 58 -3.780 3.790 10.345 1.00 0.00 N ATOM 915 CA TRP A 58 -2.892 4.686 9.609 1.00 0.00 C ATOM 916 C TRP A 58 -3.124 4.572 8.107 1.00 0.00 C ATOM 917 O TRP A 58 -2.928 5.532 7.363 1.00 0.00 O ATOM 918 CB TRP A 58 -1.421 4.390 9.926 1.00 0.00 C ATOM 919 CG TRP A 58 -1.077 2.973 9.576 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.262 1.903 10.382 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.474 2.460 8.350 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.807 0.768 9.733 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.314 1.060 8.475 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.054 3.070 7.157 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.246 0.293 7.448 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.509 2.303 6.124 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.658 0.918 6.270 1.00 0.00 C ATOM 0 H TRP A 58 -3.306 3.072 10.893 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.122 5.703 9.926 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.779 5.073 9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.230 4.565 10.985 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.694 1.930 11.371 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.832 -0.169 10.134 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.165 4.137 7.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.359 -0.775 7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.829 2.784 5.212 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.091 0.334 5.472 1.00 0.00 H new ATOM 938 N VAL A 59 -3.553 3.396 7.667 1.00 0.00 N ATOM 939 CA VAL A 59 -3.816 3.187 6.249 1.00 0.00 C ATOM 940 C VAL A 59 -5.102 3.899 5.850 1.00 0.00 C ATOM 941 O VAL A 59 -5.232 4.392 4.732 1.00 0.00 O ATOM 942 CB VAL A 59 -3.943 1.694 5.938 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.068 1.490 4.425 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.694 0.972 6.442 1.00 0.00 C ATOM 0 H VAL A 59 -3.724 2.584 8.260 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.980 3.595 5.681 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.829 1.294 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.158 0.426 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.953 2.011 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.182 1.888 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.777 -0.093 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.813 1.377 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.600 1.116 7.518 1.00 0.00 H new ATOM 954 N LYS A 60 -6.049 3.953 6.780 1.00 0.00 N ATOM 955 CA LYS A 60 -7.322 4.613 6.513 1.00 0.00 C ATOM 956 C LYS A 60 -7.108 6.095 6.235 1.00 0.00 C ATOM 957 O LYS A 60 -7.628 6.637 5.259 1.00 0.00 O ATOM 958 CB LYS A 60 -8.268 4.458 7.705 1.00 0.00 C ATOM 959 CG LYS A 60 -9.704 4.737 7.258 1.00 0.00 C ATOM 960 CD LYS A 60 -10.681 4.185 8.298 1.00 0.00 C ATOM 961 CE LYS A 60 -12.016 4.924 8.189 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.645 5.012 9.537 1.00 0.00 N ATOM 0 H LYS A 60 -5.962 3.553 7.714 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.766 4.142 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.193 3.450 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.983 5.147 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.856 5.809 7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.890 4.275 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.831 3.117 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.268 4.305 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.859 5.923 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.679 4.401 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.553 5.514 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.808 4.054 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.014 5.529 10.182 1.00 0.00 H new ATOM 976 N LYS A 61 -6.331 6.749 7.095 1.00 0.00 N ATOM 977 CA LYS A 61 -6.058 8.172 6.911 1.00 0.00 C ATOM 978 C LYS A 61 -5.297 8.395 5.609 1.00 0.00 C ATOM 979 O LYS A 61 -5.455 9.422 4.948 1.00 0.00 O ATOM 980 CB LYS A 61 -5.238 8.728 8.081 1.00 0.00 C ATOM 981 CG LYS A 61 -3.953 7.914 8.244 1.00 0.00 C ATOM 982 CD LYS A 61 -3.042 8.600 9.265 1.00 0.00 C ATOM 983 CE LYS A 61 -3.623 8.423 10.668 1.00 0.00 C ATOM 984 NZ LYS A 61 -2.926 9.338 11.614 1.00 0.00 N ATOM 0 H LYS A 61 -5.887 6.327 7.911 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.013 8.696 6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.996 9.776 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.824 8.688 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.190 6.902 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.442 7.826 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.040 8.173 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.948 9.660 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.692 8.637 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.507 7.389 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.321 9.217 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.911 9.114 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.059 10.322 11.306 1.00 0.00 H new ATOM 998 N LEU A 62 -4.479 7.413 5.239 1.00 0.00 N ATOM 999 CA LEU A 62 -3.711 7.504 4.003 1.00 0.00 C ATOM 1000 C LEU A 62 -4.651 7.531 2.811 1.00 0.00 C ATOM 1001 O LEU A 62 -4.596 8.429 1.974 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.790 6.301 3.848 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.515 6.334 4.683 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.817 4.982 4.558 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.591 7.438 4.166 1.00 0.00 C ATOM 0 H LEU A 62 -4.332 6.555 5.771 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.118 8.418 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.349 5.402 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.513 6.212 2.798 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.758 6.534 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.098 4.989 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.479 4.196 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.571 4.795 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.320 7.460 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.336 7.241 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.097 8.401 4.240 1.00 0.00 H new ATOM 1017 N MET A 63 -5.518 6.522 2.743 1.00 0.00 N ATOM 1018 CA MET A 63 -6.484 6.416 1.643 1.00 0.00 C ATOM 1019 C MET A 63 -7.241 7.729 1.453 1.00 0.00 C ATOM 1020 O MET A 63 -7.437 8.195 0.331 1.00 0.00 O ATOM 1021 CB MET A 63 -7.495 5.299 1.917 1.00 0.00 C ATOM 1022 CG MET A 63 -6.784 3.941 1.965 1.00 0.00 C ATOM 1023 SD MET A 63 -6.062 3.555 0.349 1.00 0.00 S ATOM 1024 CE MET A 63 -7.544 2.850 -0.409 1.00 0.00 C ATOM 0 H MET A 63 -5.574 5.770 3.430 1.00 0.00 H new ATOM 0 HA MET A 63 -5.923 6.188 0.737 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.005 5.484 2.862 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.258 5.291 1.139 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.003 3.958 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.491 3.162 2.251 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.265 2.290 -1.301 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.033 2.182 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.229 3.652 -0.684 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.655 8.318 2.568 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.381 9.584 2.523 1.00 0.00 C ATOM 1036 C GLN A 64 -7.420 10.735 2.231 1.00 0.00 C ATOM 1037 O GLN A 64 -7.790 11.729 1.604 1.00 0.00 O ATOM 1038 CB GLN A 64 -9.083 9.847 3.856 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.150 10.928 3.668 1.00 0.00 C ATOM 1040 CD GLN A 64 -10.932 11.102 4.965 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.533 11.871 5.840 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -12.035 10.427 5.143 1.00 0.00 N ATOM 0 H GLN A 64 -7.504 7.946 3.505 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.125 9.519 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.541 8.929 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.357 10.164 4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.682 11.870 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.825 10.651 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.366 9.790 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.566 10.537 6.007 1.00 0.00 H new ATOM 1051 N GLN A 65 -6.181 10.589 2.695 1.00 0.00 N ATOM 1052 CA GLN A 65 -5.165 11.618 2.484 1.00 0.00 C ATOM 1053 C GLN A 65 -4.747 11.673 1.018 1.00 0.00 C ATOM 1054 O GLN A 65 -4.660 12.746 0.421 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.934 11.327 3.345 1.00 0.00 C ATOM 1056 CG GLN A 65 -4.106 11.972 4.724 1.00 0.00 C ATOM 1057 CD GLN A 65 -3.306 13.271 4.791 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -2.237 13.318 5.399 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -3.765 14.337 4.193 1.00 0.00 N ATOM 0 H GLN A 65 -5.857 9.774 3.216 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.594 12.579 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.798 10.251 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.039 11.716 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.161 12.174 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.769 11.286 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.651 14.298 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.238 15.209 4.230 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.491 10.503 0.448 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.081 10.413 -0.950 1.00 0.00 C ATOM 1070 C LEU A 66 -5.302 10.169 -1.839 1.00 0.00 C ATOM 1071 O LEU A 66 -6.270 9.547 -1.405 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.087 9.268 -1.139 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.759 9.435 -0.396 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -0.892 8.194 -0.612 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -1.028 10.668 -0.930 1.00 0.00 C ATOM 0 H LEU A 66 -4.559 9.606 0.928 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.606 11.353 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.556 8.341 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.879 9.159 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.953 9.560 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.053 8.314 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.413 7.316 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.698 8.067 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.082 10.788 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.835 10.543 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.645 11.553 -0.774 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.281 10.649 -3.093 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.416 10.455 -4.010 1.00 0.00 C ATOM 1089 C PRO A 67 -6.427 9.055 -4.632 1.00 0.00 C ATOM 1090 O PRO A 67 -7.177 8.184 -4.196 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.183 11.543 -5.054 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.698 11.884 -5.023 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.145 11.402 -3.677 1.00 0.00 C ATOM 0 HA PRO A 67 -7.385 10.528 -3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.478 11.196 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.785 12.424 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.176 11.400 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.548 12.958 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.267 10.769 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.846 12.236 -3.042 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.582 8.847 -5.649 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.487 7.548 -6.329 1.00 0.00 C ATOM 1103 C VAL A 68 -4.625 7.711 -7.589 1.00 0.00 C ATOM 1104 O VAL A 68 -4.665 8.744 -8.258 1.00 0.00 O ATOM 1105 CB VAL A 68 -6.915 6.989 -6.658 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.020 6.398 -8.077 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.274 5.889 -5.643 1.00 0.00 C ATOM 0 H VAL A 68 -4.954 9.561 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.010 6.818 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.606 7.830 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.032 6.028 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.791 7.171 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.312 5.576 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.266 5.497 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.543 5.083 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.268 6.307 -4.636 1.00 0.00 H new ATOM 1117 N THR A 69 -3.849 6.677 -7.898 1.00 0.00 N ATOM 1118 CA THR A 69 -2.982 6.712 -9.074 1.00 0.00 C ATOM 1119 C THR A 69 -3.727 6.192 -10.299 1.00 0.00 C ATOM 1120 O THR A 69 -4.757 5.529 -10.183 1.00 0.00 O ATOM 1121 CB THR A 69 -1.734 5.856 -8.847 1.00 0.00 C ATOM 1122 OG1 THR A 69 -0.971 5.809 -10.045 1.00 0.00 O ATOM 1123 CG2 THR A 69 -2.149 4.439 -8.449 1.00 0.00 C ATOM 0 H THR A 69 -3.801 5.813 -7.358 1.00 0.00 H new ATOM 0 HA THR A 69 -2.684 7.747 -9.242 1.00 0.00 H new ATOM 0 HB THR A 69 -1.134 6.293 -8.049 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.170 5.263 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.259 3.831 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.735 4.476 -7.530 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.750 3.999 -9.245 1.00 0.00 H new ATOM 1131 N ALA A 70 -3.193 6.503 -11.477 1.00 0.00 N ATOM 1132 CA ALA A 70 -3.813 6.065 -12.724 1.00 0.00 C ATOM 1133 C ALA A 70 -3.530 4.585 -12.967 1.00 0.00 C ATOM 1134 O ALA A 70 -2.376 4.162 -13.035 1.00 0.00 O ATOM 1135 CB ALA A 70 -3.275 6.876 -13.904 1.00 0.00 C ATOM 0 H ALA A 70 -2.341 7.051 -11.594 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.888 6.221 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.748 6.536 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.497 7.932 -13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.196 6.739 -13.978 1.00 0.00 H new ATOM 1141 N ARG A 71 -4.598 3.804 -13.097 1.00 0.00 N ATOM 1142 CA ARG A 71 -4.458 2.370 -13.333 1.00 0.00 C ATOM 1143 C ARG A 71 -3.995 2.109 -14.763 1.00 0.00 C ATOM 1144 O ARG A 71 -3.649 3.066 -15.436 1.00 0.00 O ATOM 1145 CB ARG A 71 -5.791 1.656 -13.102 1.00 0.00 C ATOM 1146 CG ARG A 71 -6.877 2.313 -13.955 1.00 0.00 C ATOM 1147 CD ARG A 71 -7.946 1.278 -14.306 1.00 0.00 C ATOM 1148 NE ARG A 71 -9.047 1.902 -15.047 1.00 0.00 N ATOM 1149 CZ ARG A 71 -10.117 1.205 -15.454 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -10.229 -0.078 -15.206 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -11.067 1.815 -16.110 1.00 0.00 N ATOM 1152 OXT ARG A 71 -3.994 0.957 -15.163 1.00 0.00 O ATOM 0 H ARG A 71 -5.561 4.135 -13.044 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.715 1.985 -12.634 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.700 0.601 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.063 1.704 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.326 3.146 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.440 2.724 -14.865 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.505 0.480 -14.904 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.328 0.819 -13.394 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.997 2.898 -15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.493 -0.565 -14.694 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.052 -0.589 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.991 2.813 -16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.886 1.294 -16.424 1.00 0.00 H new TER 1166 ARG A 71