USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Single : A 5 SER OG : rot -24:sc= 0.167 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0619 K(o=-0.062,f=-3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 47 TYR OH : rot 67:sc= 2.13 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -45:sc= 0.129 USER MOD Single : A 61 CYS SG : rot 103:sc= -13.1! USER MOD Single : A 64 GLN : amide:sc= -2.21! X(o=-2.2!,f=-1.8) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.08 F(o=-1.6,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 332 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : B 337 LYS NZ :NH3+ 165:sc= 0.243 (180deg=-0.729!) USER MOD Single : B 339 HIS :FLIP no HD1:sc= -0.585 F(o=-1.2,f=-0.59) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 25.217 -21.304 22.164 1.00 0.00 N ATOM 2 CA SER A 5 26.037 -22.134 23.085 1.00 0.00 C ATOM 3 C SER A 5 25.947 -23.618 22.721 1.00 0.00 C ATOM 4 O SER A 5 26.959 -24.326 22.735 1.00 0.00 O ATOM 5 CB SER A 5 25.585 -21.922 24.534 1.00 0.00 C ATOM 6 OG SER A 5 24.182 -22.086 24.664 1.00 0.00 O ATOM 0 HA SER A 5 27.076 -21.821 22.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.098 -22.630 25.185 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.869 -20.923 24.864 1.00 0.00 H new ATOM 0 HG SER A 5 23.752 -21.920 23.799 1.00 0.00 H new ATOM 11 N ARG A 6 24.732 -24.077 22.397 1.00 0.00 N ATOM 12 CA ARG A 6 24.495 -25.478 22.026 1.00 0.00 C ATOM 13 C ARG A 6 23.765 -25.587 20.671 1.00 0.00 C ATOM 14 O ARG A 6 23.219 -26.644 20.332 1.00 0.00 O ATOM 15 CB ARG A 6 23.715 -26.215 23.143 1.00 0.00 C ATOM 16 CG ARG A 6 22.463 -25.495 23.653 1.00 0.00 C ATOM 17 CD ARG A 6 21.887 -26.171 24.891 1.00 0.00 C ATOM 18 NE ARG A 6 21.125 -27.380 24.557 1.00 0.00 N ATOM 19 CZ ARG A 6 20.888 -28.392 25.405 1.00 0.00 C ATOM 20 NH1 ARG A 6 21.347 -28.365 26.655 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 20.187 -29.440 24.995 1.00 0.00 N ATOM 0 H ARG A 6 23.894 -23.496 22.384 1.00 0.00 H new ATOM 0 HA ARG A 6 25.465 -25.963 21.912 1.00 0.00 H new ATOM 0 HB2 ARG A 6 23.423 -27.197 22.772 1.00 0.00 H new ATOM 0 HB3 ARG A 6 24.388 -26.379 23.985 1.00 0.00 H new ATOM 0 HG2 ARG A 6 22.709 -24.459 23.886 1.00 0.00 H new ATOM 0 HG3 ARG A 6 21.709 -25.475 22.866 1.00 0.00 H new ATOM 0 HD2 ARG A 6 22.698 -26.431 25.572 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.240 -25.470 25.418 1.00 0.00 H new ATOM 0 HE ARG A 6 20.749 -27.456 23.612 1.00 0.00 H new ATOM 0 HH11 ARG A 6 21.889 -27.565 26.982 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.156 -29.144 27.285 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.831 -29.474 24.040 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.003 -30.213 25.635 1.00 0.00 H new ATOM 35 N LEU A 7 23.786 -24.478 19.895 1.00 0.00 N ATOM 36 CA LEU A 7 23.143 -24.374 18.560 1.00 0.00 C ATOM 37 C LEU A 7 21.608 -24.378 18.653 1.00 0.00 C ATOM 38 O LEU A 7 20.961 -23.422 18.218 1.00 0.00 O ATOM 39 CB LEU A 7 23.629 -25.477 17.594 1.00 0.00 C ATOM 40 CG LEU A 7 25.078 -25.337 17.123 1.00 0.00 C ATOM 41 CD1 LEU A 7 25.990 -26.254 17.922 1.00 0.00 C ATOM 42 CD2 LEU A 7 25.184 -25.640 15.637 1.00 0.00 C ATOM 0 H LEU A 7 24.255 -23.619 20.180 1.00 0.00 H new ATOM 0 HA LEU A 7 23.450 -23.411 18.151 1.00 0.00 H new ATOM 0 HB2 LEU A 7 23.515 -26.444 18.085 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.978 -25.485 16.719 1.00 0.00 H new ATOM 0 HG LEU A 7 25.397 -24.308 17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 7 27.016 -26.141 17.573 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.935 -25.991 18.978 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.673 -27.288 17.788 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.221 -25.536 15.318 1.00 0.00 H new ATOM 0 HD22 LEU A 7 24.847 -26.659 15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.560 -24.942 15.078 1.00 0.00 H new ATOM 54 N SER A 8 21.035 -25.459 19.230 1.00 0.00 N ATOM 55 CA SER A 8 19.571 -25.631 19.400 1.00 0.00 C ATOM 56 C SER A 8 18.815 -25.527 18.065 1.00 0.00 C ATOM 57 O SER A 8 18.708 -24.444 17.478 1.00 0.00 O ATOM 58 CB SER A 8 19.003 -24.623 20.416 1.00 0.00 C ATOM 59 OG SER A 8 19.273 -25.032 21.746 1.00 0.00 O ATOM 0 H SER A 8 21.578 -26.242 19.594 1.00 0.00 H new ATOM 0 HA SER A 8 19.419 -26.638 19.788 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.438 -23.639 20.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.927 -24.526 20.274 1.00 0.00 H new ATOM 0 HG SER A 8 18.904 -24.374 22.372 1.00 0.00 H new ATOM 65 N ARG A 9 18.302 -26.669 17.597 1.00 0.00 N ATOM 66 CA ARG A 9 17.557 -26.732 16.336 1.00 0.00 C ATOM 67 C ARG A 9 16.252 -27.501 16.512 1.00 0.00 C ATOM 68 O ARG A 9 16.224 -28.548 17.165 1.00 0.00 O ATOM 69 CB ARG A 9 18.405 -27.392 15.242 1.00 0.00 C ATOM 70 CG ARG A 9 19.512 -26.497 14.695 1.00 0.00 C ATOM 71 CD ARG A 9 19.080 -25.777 13.425 1.00 0.00 C ATOM 72 NE ARG A 9 19.837 -24.539 13.211 1.00 0.00 N ATOM 73 CZ ARG A 9 20.100 -24.002 12.012 1.00 0.00 C ATOM 74 NH1 ARG A 9 19.673 -24.578 10.889 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 20.798 -22.877 11.938 1.00 0.00 N ATOM 0 H ARG A 9 18.390 -27.566 18.075 1.00 0.00 H new ATOM 0 HA ARG A 9 17.322 -25.711 16.036 1.00 0.00 H new ATOM 0 HB2 ARG A 9 18.851 -28.303 15.642 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.753 -27.690 14.421 1.00 0.00 H new ATOM 0 HG2 ARG A 9 19.794 -25.764 15.451 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.397 -27.098 14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.217 -26.438 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.016 -25.546 13.483 1.00 0.00 H new ATOM 0 HE ARG A 9 20.189 -24.051 14.035 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.135 -25.444 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.884 -24.153 9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.131 -22.426 12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.002 -22.462 11.029 1.00 0.00 H new ATOM 89 N SER A 10 15.178 -26.966 15.924 1.00 0.00 N ATOM 90 CA SER A 10 13.855 -27.586 16.000 1.00 0.00 C ATOM 91 C SER A 10 13.355 -27.994 14.613 1.00 0.00 C ATOM 92 O SER A 10 12.812 -29.090 14.444 1.00 0.00 O ATOM 93 CB SER A 10 12.856 -26.631 16.662 1.00 0.00 C ATOM 94 OG SER A 10 13.082 -26.543 18.058 1.00 0.00 O ATOM 0 H SER A 10 15.201 -26.099 15.387 1.00 0.00 H new ATOM 0 HA SER A 10 13.941 -28.487 16.608 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.942 -25.641 16.213 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.839 -26.977 16.476 1.00 0.00 H new ATOM 0 HG SER A 10 12.433 -25.926 18.456 1.00 0.00 H new ATOM 100 N GLY A 11 13.545 -27.104 13.629 1.00 0.00 N ATOM 101 CA GLY A 11 13.115 -27.376 12.266 1.00 0.00 C ATOM 102 C GLY A 11 12.038 -26.420 11.793 1.00 0.00 C ATOM 103 O GLY A 11 10.869 -26.803 11.682 1.00 0.00 O ATOM 0 H GLY A 11 13.992 -26.196 13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.974 -27.309 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.741 -28.398 12.204 1.00 0.00 H new ATOM 107 N ALA A 12 12.437 -25.174 11.517 1.00 0.00 N ATOM 108 CA ALA A 12 11.510 -24.143 11.050 1.00 0.00 C ATOM 109 C ALA A 12 12.001 -23.514 9.747 1.00 0.00 C ATOM 110 O ALA A 12 13.082 -22.916 9.702 1.00 0.00 O ATOM 111 CB ALA A 12 11.317 -23.079 12.123 1.00 0.00 C ATOM 0 H ALA A 12 13.402 -24.856 11.610 1.00 0.00 H new ATOM 0 HA ALA A 12 10.547 -24.614 10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.625 -22.319 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.911 -23.540 13.024 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.277 -22.616 12.353 1.00 0.00 H new ATOM 117 N SER A 13 11.196 -23.665 8.689 1.00 0.00 N ATOM 118 CA SER A 13 11.522 -23.118 7.368 1.00 0.00 C ATOM 119 C SER A 13 10.297 -22.473 6.717 1.00 0.00 C ATOM 120 O SER A 13 10.408 -21.417 6.088 1.00 0.00 O ATOM 121 CB SER A 13 12.079 -24.216 6.455 1.00 0.00 C ATOM 122 OG SER A 13 13.326 -24.693 6.931 1.00 0.00 O ATOM 0 H SER A 13 10.308 -24.165 8.724 1.00 0.00 H new ATOM 0 HA SER A 13 12.282 -22.349 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.369 -25.041 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.197 -23.827 5.444 1.00 0.00 H new ATOM 0 HG SER A 13 13.659 -25.394 6.332 1.00 0.00 H new ATOM 128 N SER A 14 9.134 -23.120 6.876 1.00 0.00 N ATOM 129 CA SER A 14 7.878 -22.626 6.307 1.00 0.00 C ATOM 130 C SER A 14 7.072 -21.841 7.343 1.00 0.00 C ATOM 131 O SER A 14 7.275 -22.000 8.550 1.00 0.00 O ATOM 132 CB SER A 14 7.046 -23.796 5.768 1.00 0.00 C ATOM 133 OG SER A 14 6.917 -24.825 6.736 1.00 0.00 O ATOM 0 H SER A 14 9.040 -23.991 7.398 1.00 0.00 H new ATOM 0 HA SER A 14 8.122 -21.952 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.057 -23.439 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.516 -24.196 4.869 1.00 0.00 H new ATOM 0 HG SER A 14 6.381 -25.557 6.366 1.00 0.00 H new ATOM 139 N LEU A 15 6.154 -20.978 6.846 1.00 0.00 N ATOM 140 CA LEU A 15 5.266 -20.121 7.679 1.00 0.00 C ATOM 141 C LEU A 15 6.017 -18.973 8.378 1.00 0.00 C ATOM 142 O LEU A 15 5.387 -18.024 8.855 1.00 0.00 O ATOM 143 CB LEU A 15 4.481 -20.944 8.721 1.00 0.00 C ATOM 144 CG LEU A 15 3.052 -20.466 8.985 1.00 0.00 C ATOM 145 CD1 LEU A 15 2.055 -21.287 8.182 1.00 0.00 C ATOM 146 CD2 LEU A 15 2.733 -20.543 10.471 1.00 0.00 C ATOM 0 H LEU A 15 6.005 -20.853 5.845 1.00 0.00 H new ATOM 0 HA LEU A 15 4.560 -19.675 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.445 -21.981 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.032 -20.930 9.662 1.00 0.00 H new ATOM 0 HG LEU A 15 2.973 -19.426 8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.045 -20.931 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.271 -21.183 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.134 -22.336 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.713 -20.200 10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.831 -21.574 10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.427 -19.911 11.025 1.00 0.00 H new ATOM 158 N TRP A 16 7.352 -19.064 8.433 1.00 0.00 N ATOM 159 CA TRP A 16 8.178 -18.034 9.068 1.00 0.00 C ATOM 160 C TRP A 16 9.338 -17.633 8.162 1.00 0.00 C ATOM 161 O TRP A 16 10.087 -18.489 7.681 1.00 0.00 O ATOM 162 CB TRP A 16 8.713 -18.532 10.414 1.00 0.00 C ATOM 163 CG TRP A 16 7.781 -18.264 11.561 1.00 0.00 C ATOM 164 CD1 TRP A 16 6.989 -19.176 12.197 1.00 0.00 C ATOM 165 CD2 TRP A 16 7.542 -17.003 12.211 1.00 0.00 C ATOM 166 NE1 TRP A 16 6.273 -18.564 13.197 1.00 0.00 N ATOM 167 CE2 TRP A 16 6.595 -17.233 13.227 1.00 0.00 C ATOM 168 CE3 TRP A 16 8.036 -15.703 12.034 1.00 0.00 C ATOM 169 CZ2 TRP A 16 6.132 -16.216 14.059 1.00 0.00 C ATOM 170 CZ3 TRP A 16 7.575 -14.697 12.861 1.00 0.00 C ATOM 171 CH2 TRP A 16 6.632 -14.958 13.863 1.00 0.00 C ATOM 0 H TRP A 16 7.882 -19.843 8.044 1.00 0.00 H new ATOM 0 HA TRP A 16 7.553 -17.157 9.238 1.00 0.00 H new ATOM 0 HB2 TRP A 16 8.899 -19.604 10.349 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.672 -18.054 10.615 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.933 -20.226 11.950 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.608 -19.026 13.817 1.00 0.00 H new ATOM 0 HE3 TRP A 16 8.764 -15.492 11.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.404 -16.414 14.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.948 -13.692 12.733 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.293 -14.150 14.494 1.00 0.00 H new ATOM 182 N ASP A 17 9.472 -16.320 7.936 1.00 0.00 N ATOM 183 CA ASP A 17 10.537 -15.769 7.088 1.00 0.00 C ATOM 184 C ASP A 17 11.069 -14.446 7.666 1.00 0.00 C ATOM 185 O ASP A 17 10.275 -13.613 8.109 1.00 0.00 O ATOM 186 CB ASP A 17 10.049 -15.556 5.637 1.00 0.00 C ATOM 187 CG ASP A 17 8.691 -14.869 5.538 1.00 0.00 C ATOM 188 OD1 ASP A 17 7.682 -15.487 5.935 1.00 0.00 O1- ATOM 189 OD2 ASP A 17 8.643 -13.714 5.062 1.00 0.00 O ATOM 0 H ASP A 17 8.851 -15.615 8.332 1.00 0.00 H new ATOM 0 HA ASP A 17 11.349 -16.496 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.787 -14.961 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.994 -16.523 5.137 1.00 0.00 H new ATOM 194 N PRO A 18 12.423 -14.229 7.672 1.00 0.00 N ATOM 195 CA PRO A 18 13.026 -12.987 8.202 1.00 0.00 C ATOM 196 C PRO A 18 12.781 -11.769 7.299 1.00 0.00 C ATOM 197 O PRO A 18 12.959 -11.847 6.080 1.00 0.00 O ATOM 198 CB PRO A 18 14.522 -13.316 8.276 1.00 0.00 C ATOM 199 CG PRO A 18 14.742 -14.384 7.255 1.00 0.00 C ATOM 200 CD PRO A 18 13.462 -15.175 7.189 1.00 0.00 C ATOM 0 HA PRO A 18 12.590 -12.708 9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.129 -12.436 8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.800 -13.661 9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.982 -13.950 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 18 15.580 -15.023 7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 18 13.253 -15.511 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.512 -16.066 7.815 1.00 0.00 H new ATOM 208 N ALA A 19 12.373 -10.656 7.917 1.00 0.00 N ATOM 209 CA ALA A 19 12.093 -9.417 7.187 1.00 0.00 C ATOM 210 C ALA A 19 13.169 -8.354 7.425 1.00 0.00 C ATOM 211 O ALA A 19 13.305 -7.421 6.628 1.00 0.00 O ATOM 212 CB ALA A 19 10.727 -8.876 7.581 1.00 0.00 C ATOM 0 H ALA A 19 12.229 -10.589 8.925 1.00 0.00 H new ATOM 0 HA ALA A 19 12.098 -9.655 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.528 -7.955 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.961 -9.613 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.712 -8.672 8.652 1.00 0.00 H new ATOM 218 N SER A 20 13.929 -8.503 8.518 1.00 0.00 N ATOM 219 CA SER A 20 14.991 -7.558 8.860 1.00 0.00 C ATOM 220 C SER A 20 16.369 -8.249 8.843 1.00 0.00 C ATOM 221 O SER A 20 16.791 -8.823 9.856 1.00 0.00 O ATOM 222 CB SER A 20 14.715 -6.924 10.229 1.00 0.00 C ATOM 223 OG SER A 20 13.481 -6.227 10.230 1.00 0.00 O ATOM 0 H SER A 20 13.825 -9.272 9.180 1.00 0.00 H new ATOM 0 HA SER A 20 15.005 -6.768 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.699 -7.699 10.995 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.523 -6.239 10.485 1.00 0.00 H new ATOM 0 HG SER A 20 13.328 -5.834 11.115 1.00 0.00 H new ATOM 229 N PRO A 21 17.091 -8.226 7.680 1.00 0.00 N ATOM 230 CA PRO A 21 18.417 -8.849 7.562 1.00 0.00 C ATOM 231 C PRO A 21 19.560 -7.952 8.071 1.00 0.00 C ATOM 232 O PRO A 21 20.469 -8.428 8.757 1.00 0.00 O ATOM 233 CB PRO A 21 18.544 -9.111 6.056 1.00 0.00 C ATOM 234 CG PRO A 21 17.710 -8.058 5.392 1.00 0.00 C ATOM 235 CD PRO A 21 16.659 -7.620 6.391 1.00 0.00 C ATOM 0 HA PRO A 21 18.500 -9.746 8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 21 19.583 -9.049 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.190 -10.110 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.328 -7.213 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.242 -8.451 4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.607 -6.534 6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.667 -7.968 6.102 1.00 0.00 H new ATOM 243 N ALA A 22 19.496 -6.657 7.724 1.00 0.00 N ATOM 244 CA ALA A 22 20.512 -5.684 8.132 1.00 0.00 C ATOM 245 C ALA A 22 19.865 -4.399 8.667 1.00 0.00 C ATOM 246 O ALA A 22 18.754 -4.055 8.252 1.00 0.00 O ATOM 247 CB ALA A 22 21.437 -5.361 6.966 1.00 0.00 C ATOM 0 H ALA A 22 18.745 -6.261 7.158 1.00 0.00 H new ATOM 0 HA ALA A 22 21.099 -6.129 8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.186 -4.637 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 22 21.933 -6.272 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 22 20.855 -4.943 6.145 1.00 0.00 H new ATOM 253 N PRO A 23 20.548 -3.660 9.598 1.00 0.00 N ATOM 254 CA PRO A 23 20.010 -2.406 10.170 1.00 0.00 C ATOM 255 C PRO A 23 20.109 -1.194 9.220 1.00 0.00 C ATOM 256 O PRO A 23 19.814 -0.061 9.618 1.00 0.00 O ATOM 257 CB PRO A 23 20.880 -2.195 11.417 1.00 0.00 C ATOM 258 CG PRO A 23 22.187 -2.839 11.095 1.00 0.00 C ATOM 259 CD PRO A 23 21.875 -3.998 10.180 1.00 0.00 C ATOM 0 HA PRO A 23 18.942 -2.487 10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 23 21.006 -1.134 11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.424 -2.648 12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 23 22.860 -2.132 10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 23 22.685 -3.183 12.002 1.00 0.00 H new ATOM 0 HD2 PRO A 23 22.633 -4.108 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 23 21.841 -4.940 10.728 1.00 0.00 H new ATOM 267 N THR A 24 20.514 -1.448 7.967 1.00 0.00 N ATOM 268 CA THR A 24 20.659 -0.392 6.959 1.00 0.00 C ATOM 269 C THR A 24 19.377 -0.206 6.150 1.00 0.00 C ATOM 270 O THR A 24 18.595 -1.148 5.984 1.00 0.00 O ATOM 271 CB THR A 24 21.821 -0.687 5.987 1.00 0.00 C ATOM 272 OG1 THR A 24 21.805 -2.067 5.599 1.00 0.00 O ATOM 273 CG2 THR A 24 23.163 -0.350 6.622 1.00 0.00 C ATOM 0 H THR A 24 20.748 -2.381 7.628 1.00 0.00 H new ATOM 0 HA THR A 24 20.874 0.525 7.508 1.00 0.00 H new ATOM 0 HB THR A 24 21.687 -0.061 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 24 22.545 -2.242 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 24 23.964 -0.567 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 24 23.186 0.708 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 24 23.300 -0.949 7.522 1.00 0.00 H new ATOM 281 N SER A 25 19.178 1.019 5.654 1.00 0.00 N ATOM 282 CA SER A 25 17.999 1.360 4.855 1.00 0.00 C ATOM 283 C SER A 25 18.351 1.440 3.369 1.00 0.00 C ATOM 284 O SER A 25 19.524 1.586 3.009 1.00 0.00 O ATOM 285 CB SER A 25 17.410 2.692 5.332 1.00 0.00 C ATOM 286 OG SER A 25 16.502 2.495 6.401 1.00 0.00 O ATOM 0 H SER A 25 19.824 1.796 5.794 1.00 0.00 H new ATOM 0 HA SER A 25 17.256 0.574 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.214 3.355 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.900 3.185 4.504 1.00 0.00 H new ATOM 0 HG SER A 25 16.142 3.360 6.688 1.00 0.00 H new ATOM 292 N GLY A 26 17.322 1.346 2.513 1.00 0.00 N ATOM 293 CA GLY A 26 17.522 1.405 1.069 1.00 0.00 C ATOM 294 C GLY A 26 17.472 2.832 0.521 1.00 0.00 C ATOM 295 O GLY A 26 16.436 3.489 0.650 1.00 0.00 O ATOM 0 H GLY A 26 16.350 1.230 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.486 0.959 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.757 0.805 0.576 1.00 0.00 H new ATOM 299 N PRO A 27 18.578 3.347 -0.103 1.00 0.00 N ATOM 300 CA PRO A 27 18.609 4.716 -0.657 1.00 0.00 C ATOM 301 C PRO A 27 17.880 4.856 -2.008 1.00 0.00 C ATOM 302 O PRO A 27 17.841 5.947 -2.588 1.00 0.00 O ATOM 303 CB PRO A 27 20.109 4.993 -0.817 1.00 0.00 C ATOM 304 CG PRO A 27 20.739 3.654 -1.030 1.00 0.00 C ATOM 305 CD PRO A 27 19.878 2.650 -0.300 1.00 0.00 C ATOM 0 HA PRO A 27 18.089 5.420 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.298 5.655 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.515 5.482 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.795 3.417 -2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.759 3.641 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.754 1.736 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 27 20.323 2.364 0.653 1.00 0.00 H new ATOM 313 N ARG A 28 17.302 3.746 -2.490 1.00 0.00 N ATOM 314 CA ARG A 28 16.575 3.729 -3.761 1.00 0.00 C ATOM 315 C ARG A 28 15.077 3.985 -3.544 1.00 0.00 C ATOM 316 O ARG A 28 14.495 3.435 -2.605 1.00 0.00 O ATOM 317 CB ARG A 28 16.778 2.385 -4.465 1.00 0.00 C ATOM 318 CG ARG A 28 17.926 2.387 -5.468 1.00 0.00 C ATOM 319 CD ARG A 28 18.535 1.001 -5.644 1.00 0.00 C ATOM 320 NE ARG A 28 17.675 0.111 -6.436 1.00 0.00 N ATOM 321 CZ ARG A 28 17.979 -1.155 -6.760 1.00 0.00 C ATOM 322 NH1 ARG A 28 19.126 -1.709 -6.371 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 17.125 -1.869 -7.478 1.00 0.00 N ATOM 0 H ARG A 28 17.326 2.845 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 28 16.971 4.528 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.964 1.616 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.857 2.112 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.565 2.749 -6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.697 3.082 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.506 1.092 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.710 0.556 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 28 16.783 0.482 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.791 -1.169 -5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.339 -2.673 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.243 -1.456 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.349 -2.832 -7.728 1.00 0.00 H new ATOM 337 N PRO A 29 14.422 4.827 -4.407 1.00 0.00 N ATOM 338 CA PRO A 29 12.984 5.137 -4.276 1.00 0.00 C ATOM 339 C PRO A 29 12.071 3.966 -4.672 1.00 0.00 C ATOM 340 O PRO A 29 12.207 3.401 -5.762 1.00 0.00 O ATOM 341 CB PRO A 29 12.786 6.324 -5.228 1.00 0.00 C ATOM 342 CG PRO A 29 13.861 6.187 -6.254 1.00 0.00 C ATOM 343 CD PRO A 29 15.033 5.552 -5.553 1.00 0.00 C ATOM 0 HA PRO A 29 12.716 5.349 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.798 6.300 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.867 7.272 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.526 5.571 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.133 7.159 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.572 4.872 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.749 6.301 -5.215 1.00 0.00 H new ATOM 351 N ARG A 30 11.152 3.613 -3.763 1.00 0.00 N ATOM 352 CA ARG A 30 10.200 2.517 -3.985 1.00 0.00 C ATOM 353 C ARG A 30 8.843 2.827 -3.351 1.00 0.00 C ATOM 354 O ARG A 30 7.801 2.474 -3.905 1.00 0.00 O ATOM 355 CB ARG A 30 10.745 1.200 -3.416 1.00 0.00 C ATOM 356 CG ARG A 30 10.591 0.021 -4.363 1.00 0.00 C ATOM 357 CD ARG A 30 11.222 -1.239 -3.793 1.00 0.00 C ATOM 358 NE ARG A 30 12.669 -1.288 -4.033 1.00 0.00 N ATOM 359 CZ ARG A 30 13.607 -1.057 -3.103 1.00 0.00 C ATOM 360 NH1 ARG A 30 13.274 -0.757 -1.848 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 14.889 -1.131 -3.433 1.00 0.00 N ATOM 0 H ARG A 30 11.048 4.075 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 30 10.066 2.413 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.800 1.327 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.229 0.976 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.533 -0.156 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.054 0.260 -5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.031 -1.287 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.751 -2.114 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 30 12.984 -1.514 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.291 -0.700 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.002 -0.585 -1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.157 -1.362 -4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.607 -0.956 -2.730 1.00 0.00 H new ATOM 375 N LEU A 31 8.874 3.471 -2.174 1.00 0.00 N ATOM 376 CA LEU A 31 7.660 3.841 -1.438 1.00 0.00 C ATOM 377 C LEU A 31 7.837 5.205 -0.771 1.00 0.00 C ATOM 378 O LEU A 31 8.715 5.381 0.080 1.00 0.00 O ATOM 379 CB LEU A 31 7.321 2.762 -0.384 1.00 0.00 C ATOM 380 CG LEU A 31 6.381 1.608 -0.825 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.233 2.101 -1.693 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.147 0.510 -1.548 1.00 0.00 C ATOM 0 H LEU A 31 9.739 3.748 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 31 6.832 3.907 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.256 2.322 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.867 3.259 0.473 1.00 0.00 H new ATOM 0 HG LEU A 31 5.956 1.193 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.603 1.258 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.640 2.826 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.632 2.573 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.458 -0.281 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.625 0.924 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.908 0.100 -0.884 1.00 0.00 H new ATOM 394 N TRP A 32 6.996 6.169 -1.176 1.00 0.00 N ATOM 395 CA TRP A 32 7.044 7.540 -0.641 1.00 0.00 C ATOM 396 C TRP A 32 5.643 8.164 -0.612 1.00 0.00 C ATOM 397 O TRP A 32 4.746 7.709 -1.324 1.00 0.00 O ATOM 398 CB TRP A 32 8.022 8.418 -1.467 1.00 0.00 C ATOM 399 CG TRP A 32 7.628 8.639 -2.909 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.533 7.692 -3.888 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.288 9.891 -3.528 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.143 8.274 -5.069 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.991 9.620 -4.875 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.203 11.213 -3.073 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.616 10.619 -5.773 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.832 12.202 -3.964 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.542 11.900 -5.300 1.00 0.00 C ATOM 0 H TRP A 32 6.270 6.023 -1.877 1.00 0.00 H new ATOM 0 HA TRP A 32 7.413 7.492 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.114 9.389 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.009 7.955 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.735 6.640 -3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.991 7.782 -5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.424 11.455 -2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.392 10.389 -6.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.765 13.225 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.254 12.695 -5.971 1.00 0.00 H new ATOM 418 N GLU A 33 5.474 9.226 0.195 1.00 0.00 N ATOM 419 CA GLU A 33 4.183 9.923 0.330 1.00 0.00 C ATOM 420 C GLU A 33 3.749 10.575 -0.990 1.00 0.00 C ATOM 421 O GLU A 33 4.423 11.476 -1.505 1.00 0.00 O ATOM 422 CB GLU A 33 4.265 10.980 1.437 1.00 0.00 C ATOM 423 CG GLU A 33 4.117 10.411 2.840 1.00 0.00 C ATOM 424 CD GLU A 33 3.925 11.489 3.888 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.938 11.975 4.432 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.761 11.847 4.166 1.00 0.00 O ATOM 0 H GLU A 33 6.220 9.622 0.767 1.00 0.00 H new ATOM 0 HA GLU A 33 3.432 9.179 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.222 11.497 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.487 11.726 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.266 9.730 2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.002 9.824 3.085 1.00 0.00 H new ATOM 433 N GLY A 34 2.623 10.093 -1.529 1.00 0.00 N ATOM 434 CA GLY A 34 2.093 10.600 -2.788 1.00 0.00 C ATOM 435 C GLY A 34 2.526 9.759 -3.973 1.00 0.00 C ATOM 436 O GLY A 34 2.672 10.274 -5.085 1.00 0.00 O ATOM 0 H GLY A 34 2.064 9.351 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.004 10.622 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.427 11.628 -2.933 1.00 0.00 H new ATOM 440 N GLN A 35 2.730 8.459 -3.725 1.00 0.00 N ATOM 441 CA GLN A 35 3.150 7.523 -4.757 1.00 0.00 C ATOM 442 C GLN A 35 1.955 6.686 -5.210 1.00 0.00 C ATOM 443 O GLN A 35 1.348 5.977 -4.399 1.00 0.00 O ATOM 444 CB GLN A 35 4.302 6.638 -4.208 1.00 0.00 C ATOM 445 CG GLN A 35 4.480 5.270 -4.888 1.00 0.00 C ATOM 446 CD GLN A 35 5.754 5.163 -5.708 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.133 6.085 -6.434 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.413 4.016 -5.606 1.00 0.00 N ATOM 0 H GLN A 35 2.607 8.035 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 35 3.524 8.062 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.236 7.192 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.133 6.474 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.482 4.491 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.624 5.080 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.063 3.280 -4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.269 3.871 -6.141 1.00 0.00 H new ATOM 457 N ASP A 36 1.615 6.780 -6.506 1.00 0.00 N ATOM 458 CA ASP A 36 0.507 6.001 -7.066 1.00 0.00 C ATOM 459 C ASP A 36 0.926 4.537 -7.134 1.00 0.00 C ATOM 460 O ASP A 36 1.794 4.153 -7.926 1.00 0.00 O ATOM 461 CB ASP A 36 0.087 6.521 -8.445 1.00 0.00 C ATOM 462 CG ASP A 36 -0.635 7.852 -8.370 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.047 8.891 -8.256 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.883 7.855 -8.425 1.00 0.00 O1- ATOM 0 H ASP A 36 2.089 7.383 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.364 6.104 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.971 6.626 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.561 5.787 -8.924 1.00 0.00 H new ATOM 469 N VAL A 37 0.300 3.740 -6.281 1.00 0.00 N ATOM 470 CA VAL A 37 0.616 2.324 -6.154 1.00 0.00 C ATOM 471 C VAL A 37 -0.534 1.424 -6.578 1.00 0.00 C ATOM 472 O VAL A 37 -1.685 1.861 -6.680 1.00 0.00 O ATOM 473 CB VAL A 37 0.983 1.967 -4.684 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.330 2.567 -4.301 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.117 2.399 -3.694 1.00 0.00 C ATOM 0 H VAL A 37 -0.442 4.056 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 37 1.463 2.151 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 37 1.061 0.882 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.565 2.304 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.104 2.175 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.286 3.652 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.180 2.131 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.260 3.478 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.050 1.894 -3.944 1.00 0.00 H new ATOM 485 N LEU A 38 -0.186 0.165 -6.818 1.00 0.00 N ATOM 486 CA LEU A 38 -1.151 -0.849 -7.176 1.00 0.00 C ATOM 487 C LEU A 38 -1.151 -1.912 -6.094 1.00 0.00 C ATOM 488 O LEU A 38 -0.262 -2.771 -6.026 1.00 0.00 O ATOM 489 CB LEU A 38 -0.837 -1.442 -8.553 1.00 0.00 C ATOM 490 CG LEU A 38 -1.004 -0.480 -9.743 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.388 -1.053 -11.013 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.468 -0.172 -9.982 1.00 0.00 C ATOM 0 H LEU A 38 0.775 -0.174 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.146 -0.409 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.190 -1.808 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.483 -2.306 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.480 0.442 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.524 -0.348 -11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.677 -1.225 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.875 -1.996 -11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.563 0.510 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.004 -1.096 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.892 0.293 -9.092 1.00 0.00 H new ATOM 504 N ALA A 39 -2.163 -1.820 -5.241 1.00 0.00 N ATOM 505 CA ALA A 39 -2.341 -2.728 -4.124 1.00 0.00 C ATOM 506 C ALA A 39 -3.181 -3.928 -4.553 1.00 0.00 C ATOM 507 O ALA A 39 -4.393 -3.815 -4.762 1.00 0.00 O ATOM 508 CB ALA A 39 -2.990 -1.973 -2.970 1.00 0.00 C ATOM 0 H ALA A 39 -2.888 -1.105 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.375 -3.107 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.128 -2.648 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.349 -1.144 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.958 -1.586 -3.287 1.00 0.00 H new ATOM 514 N ARG A 40 -2.517 -5.074 -4.701 1.00 0.00 N ATOM 515 CA ARG A 40 -3.171 -6.317 -5.121 1.00 0.00 C ATOM 516 C ARG A 40 -4.162 -6.812 -4.062 1.00 0.00 C ATOM 517 O ARG A 40 -3.812 -6.922 -2.882 1.00 0.00 O ATOM 518 CB ARG A 40 -2.110 -7.391 -5.376 1.00 0.00 C ATOM 519 CG ARG A 40 -2.299 -8.186 -6.667 1.00 0.00 C ATOM 520 CD ARG A 40 -3.306 -9.317 -6.502 1.00 0.00 C ATOM 521 NE ARG A 40 -3.425 -10.129 -7.718 1.00 0.00 N ATOM 522 CZ ARG A 40 -3.099 -11.427 -7.807 1.00 0.00 C ATOM 523 NH1 ARG A 40 -2.629 -12.096 -6.756 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -3.246 -12.059 -8.964 1.00 0.00 N ATOM 0 H ARG A 40 -1.515 -5.169 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.727 -6.118 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.130 -6.915 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.107 -8.085 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.634 -7.516 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.340 -8.598 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.004 -9.953 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.281 -8.900 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.782 -9.673 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.511 -11.622 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.387 -13.083 -6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.604 -11.558 -9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.001 -13.046 -9.041 1.00 0.00 H new ATOM 538 N TRP A 41 -5.394 -7.102 -4.496 1.00 0.00 N ATOM 539 CA TRP A 41 -6.443 -7.582 -3.594 1.00 0.00 C ATOM 540 C TRP A 41 -6.453 -9.118 -3.521 1.00 0.00 C ATOM 541 O TRP A 41 -5.957 -9.796 -4.426 1.00 0.00 O ATOM 542 CB TRP A 41 -7.808 -7.005 -4.017 1.00 0.00 C ATOM 543 CG TRP A 41 -8.924 -7.199 -3.009 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.845 -7.118 -1.640 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.292 -7.498 -3.305 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.077 -7.355 -1.080 1.00 0.00 N ATOM 547 CE2 TRP A 41 -10.981 -7.588 -2.081 1.00 0.00 C ATOM 548 CE3 TRP A 41 -10.997 -7.696 -4.490 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.344 -7.870 -2.013 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.350 -7.976 -4.425 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.011 -8.060 -3.193 1.00 0.00 C ATOM 0 H TRP A 41 -5.688 -7.012 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.233 -7.227 -2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.692 -5.938 -4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.105 -7.466 -4.959 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.945 -6.900 -1.084 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.284 -7.357 -0.081 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.495 -7.632 -5.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.855 -7.936 -1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.905 -8.132 -5.338 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.068 -8.279 -3.174 1.00 0.00 H new ATOM 562 N THR A 42 -7.029 -9.645 -2.428 1.00 0.00 N ATOM 563 CA THR A 42 -7.090 -11.098 -2.161 1.00 0.00 C ATOM 564 C THR A 42 -7.989 -11.884 -3.131 1.00 0.00 C ATOM 565 O THR A 42 -7.969 -13.119 -3.121 1.00 0.00 O ATOM 566 CB THR A 42 -7.570 -11.378 -0.720 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.692 -10.545 -0.400 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.453 -11.135 0.285 1.00 0.00 C ATOM 0 H THR A 42 -7.467 -9.078 -1.702 1.00 0.00 H new ATOM 0 HA THR A 42 -6.067 -11.446 -2.307 1.00 0.00 H new ATOM 0 HB THR A 42 -7.868 -12.425 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.988 -10.733 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.818 -11.340 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.614 -11.794 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.126 -10.097 0.222 1.00 0.00 H new ATOM 576 N ASP A 43 -8.764 -11.177 -3.961 1.00 0.00 N ATOM 577 CA ASP A 43 -9.659 -11.830 -4.924 1.00 0.00 C ATOM 578 C ASP A 43 -8.991 -12.013 -6.293 1.00 0.00 C ATOM 579 O ASP A 43 -9.560 -12.649 -7.188 1.00 0.00 O ATOM 580 CB ASP A 43 -10.952 -11.027 -5.074 1.00 0.00 C ATOM 581 CG ASP A 43 -11.918 -11.270 -3.931 1.00 0.00 C ATOM 582 OD1 ASP A 43 -11.674 -10.741 -2.826 1.00 0.00 O ATOM 583 OD2 ASP A 43 -12.918 -11.989 -4.140 1.00 0.00 O1- ATOM 0 H ASP A 43 -8.790 -10.158 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.892 -12.821 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.713 -9.965 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.433 -11.291 -6.016 1.00 0.00 H new ATOM 588 N GLY A 44 -7.781 -11.460 -6.441 1.00 0.00 N ATOM 589 CA GLY A 44 -7.046 -11.564 -7.695 1.00 0.00 C ATOM 590 C GLY A 44 -7.047 -10.270 -8.495 1.00 0.00 C ATOM 591 O GLY A 44 -6.304 -10.146 -9.474 1.00 0.00 O ATOM 0 H GLY A 44 -7.297 -10.940 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.016 -11.853 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.482 -12.359 -8.300 1.00 0.00 H new ATOM 595 N LEU A 45 -7.882 -9.309 -8.076 1.00 0.00 N ATOM 596 CA LEU A 45 -7.989 -8.015 -8.748 1.00 0.00 C ATOM 597 C LEU A 45 -7.043 -6.988 -8.128 1.00 0.00 C ATOM 598 O LEU A 45 -6.739 -7.052 -6.934 1.00 0.00 O ATOM 599 CB LEU A 45 -9.428 -7.505 -8.682 1.00 0.00 C ATOM 600 CG LEU A 45 -10.412 -8.236 -9.594 1.00 0.00 C ATOM 601 CD1 LEU A 45 -11.687 -8.574 -8.841 1.00 0.00 C ATOM 602 CD2 LEU A 45 -10.721 -7.397 -10.823 1.00 0.00 C ATOM 0 H LEU A 45 -8.496 -9.409 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.703 -8.154 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.780 -7.586 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.435 -6.446 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.952 -9.168 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.376 -9.094 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.449 -9.215 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.152 -7.656 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.423 -7.932 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.161 -6.449 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.800 -7.207 -11.375 1.00 0.00 H new ATOM 614 N LEU A 46 -6.589 -6.044 -8.958 1.00 0.00 N ATOM 615 CA LEU A 46 -5.675 -4.983 -8.531 1.00 0.00 C ATOM 616 C LEU A 46 -6.450 -3.758 -8.027 1.00 0.00 C ATOM 617 O LEU A 46 -7.623 -3.573 -8.364 1.00 0.00 O ATOM 618 CB LEU A 46 -4.762 -4.590 -9.713 1.00 0.00 C ATOM 619 CG LEU A 46 -3.504 -3.763 -9.397 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.584 -4.460 -8.398 1.00 0.00 C ATOM 621 CD2 LEU A 46 -2.766 -3.491 -10.692 1.00 0.00 C ATOM 0 H LEU A 46 -6.845 -5.995 -9.944 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.066 -5.354 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.445 -5.506 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.362 -4.028 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.816 -2.828 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.711 -3.835 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.120 -4.626 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.262 -5.418 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.871 -2.905 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.482 -4.436 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.414 -2.936 -11.370 1.00 0.00 H new ATOM 633 N TYR A 47 -5.767 -2.924 -7.234 1.00 0.00 N ATOM 634 CA TYR A 47 -6.354 -1.712 -6.660 1.00 0.00 C ATOM 635 C TYR A 47 -5.390 -0.540 -6.836 1.00 0.00 C ATOM 636 O TYR A 47 -4.191 -0.687 -6.596 1.00 0.00 O ATOM 637 CB TYR A 47 -6.634 -1.905 -5.152 1.00 0.00 C ATOM 638 CG TYR A 47 -7.888 -2.696 -4.752 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.794 -3.218 -5.679 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.171 -2.891 -3.404 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.927 -3.897 -5.274 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.299 -3.575 -2.994 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.174 -4.072 -3.932 1.00 0.00 C ATOM 644 OH TYR A 47 -11.307 -4.738 -3.527 1.00 0.00 O ATOM 0 H TYR A 47 -4.792 -3.072 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.292 -1.507 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.770 -2.402 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.701 -0.918 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.605 -3.088 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.493 -2.498 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.616 -4.289 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.493 -3.719 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.247 -5.679 -3.796 1.00 0.00 H new ATOM 654 N LEU A 48 -5.912 0.618 -7.260 1.00 0.00 N ATOM 655 CA LEU A 48 -5.080 1.812 -7.443 1.00 0.00 C ATOM 656 C LEU A 48 -5.160 2.702 -6.207 1.00 0.00 C ATOM 657 O LEU A 48 -6.231 2.853 -5.610 1.00 0.00 O ATOM 658 CB LEU A 48 -5.495 2.597 -8.705 1.00 0.00 C ATOM 659 CG LEU A 48 -4.661 3.860 -9.030 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.288 3.501 -9.591 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.408 4.751 -10.007 1.00 0.00 C ATOM 0 H LEU A 48 -6.899 0.752 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.048 1.489 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.443 1.923 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.538 2.894 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.508 4.401 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.733 4.414 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.740 2.907 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.409 2.925 -10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.808 5.635 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.595 4.202 -10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.358 5.057 -9.568 1.00 0.00 H new ATOM 673 N GLY A 49 -4.018 3.285 -5.842 1.00 0.00 N ATOM 674 CA GLY A 49 -3.962 4.151 -4.675 1.00 0.00 C ATOM 675 C GLY A 49 -2.745 5.053 -4.646 1.00 0.00 C ATOM 676 O GLY A 49 -1.907 5.006 -5.546 1.00 0.00 O ATOM 0 H GLY A 49 -3.132 3.173 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.861 4.767 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.969 3.535 -3.776 1.00 0.00 H new ATOM 680 N THR A 50 -2.681 5.897 -3.615 1.00 0.00 N ATOM 681 CA THR A 50 -1.558 6.811 -3.406 1.00 0.00 C ATOM 682 C THR A 50 -1.060 6.656 -1.981 1.00 0.00 C ATOM 683 O THR A 50 -1.856 6.590 -1.043 1.00 0.00 O ATOM 684 CB THR A 50 -1.915 8.290 -3.680 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.233 8.403 -4.236 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.903 8.908 -4.639 1.00 0.00 C ATOM 0 H THR A 50 -3.407 5.966 -2.901 1.00 0.00 H new ATOM 0 HA THR A 50 -0.781 6.545 -4.123 1.00 0.00 H new ATOM 0 HB THR A 50 -1.888 8.825 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.439 9.347 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.166 9.950 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.093 8.858 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.912 8.359 -5.581 1.00 0.00 H new ATOM 694 N ILE A 51 0.262 6.610 -1.826 1.00 0.00 N ATOM 695 CA ILE A 51 0.902 6.400 -0.520 1.00 0.00 C ATOM 696 C ILE A 51 0.709 7.571 0.444 1.00 0.00 C ATOM 697 O ILE A 51 1.160 8.690 0.193 1.00 0.00 O ATOM 698 CB ILE A 51 2.419 6.067 -0.696 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.583 4.814 -1.587 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.141 5.873 0.651 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.059 3.525 -0.968 1.00 0.00 C ATOM 0 H ILE A 51 0.921 6.716 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 51 0.400 5.546 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 51 2.887 6.923 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.066 4.985 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.640 4.686 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.191 5.644 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.065 6.787 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.678 5.050 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.215 2.699 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.592 3.324 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.994 3.628 -0.760 1.00 0.00 H new ATOM 713 N LYS A 52 0.023 7.272 1.547 1.00 0.00 N ATOM 714 CA LYS A 52 -0.226 8.245 2.608 1.00 0.00 C ATOM 715 C LYS A 52 0.854 8.137 3.687 1.00 0.00 C ATOM 716 O LYS A 52 1.203 9.134 4.324 1.00 0.00 O ATOM 717 CB LYS A 52 -1.610 8.025 3.232 1.00 0.00 C ATOM 718 CG LYS A 52 -2.655 9.050 2.804 1.00 0.00 C ATOM 719 CD LYS A 52 -2.694 10.245 3.748 1.00 0.00 C ATOM 720 CE LYS A 52 -3.530 11.380 3.175 1.00 0.00 C ATOM 721 NZ LYS A 52 -2.764 12.194 2.192 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.375 6.350 1.729 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.196 9.243 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.963 7.029 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.516 8.050 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.436 9.392 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.637 8.578 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.106 9.938 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.679 10.597 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.417 10.969 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.876 12.021 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.369 12.956 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.931 12.607 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.456 11.588 1.405 1.00 0.00 H new ATOM 735 N LYS A 53 1.374 6.911 3.880 1.00 0.00 N ATOM 736 CA LYS A 53 2.424 6.645 4.868 1.00 0.00 C ATOM 737 C LYS A 53 3.352 5.535 4.375 1.00 0.00 C ATOM 738 O LYS A 53 3.017 4.805 3.437 1.00 0.00 O ATOM 739 CB LYS A 53 1.819 6.259 6.222 1.00 0.00 C ATOM 740 CG LYS A 53 1.272 7.443 7.024 1.00 0.00 C ATOM 741 CD LYS A 53 -0.212 7.281 7.350 1.00 0.00 C ATOM 742 CE LYS A 53 -0.445 6.237 8.437 1.00 0.00 C ATOM 743 NZ LYS A 53 -0.219 6.791 9.800 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.078 6.086 3.358 1.00 0.00 H new ATOM 0 HA LYS A 53 3.003 7.560 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.014 5.543 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.579 5.752 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.837 7.544 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.420 8.363 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.619 8.239 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.752 6.993 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.465 5.859 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.221 5.390 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.388 6.049 10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.761 7.129 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.872 7.583 9.966 1.00 0.00 H new ATOM 757 N VAL A 54 4.502 5.398 5.036 1.00 0.00 N ATOM 758 CA VAL A 54 5.509 4.397 4.662 1.00 0.00 C ATOM 759 C VAL A 54 6.123 3.749 5.908 1.00 0.00 C ATOM 760 O VAL A 54 6.447 4.430 6.884 1.00 0.00 O ATOM 761 CB VAL A 54 6.639 5.016 3.767 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.800 4.042 3.548 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.088 5.454 2.414 1.00 0.00 C ATOM 0 H VAL A 54 4.763 5.971 5.839 1.00 0.00 H new ATOM 0 HA VAL A 54 4.999 3.630 4.079 1.00 0.00 H new ATOM 0 HB VAL A 54 7.017 5.886 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.558 4.514 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.238 3.775 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.432 3.142 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.892 5.879 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.666 4.592 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.311 6.204 2.563 1.00 0.00 H new ATOM 773 N ASP A 55 6.266 2.424 5.841 1.00 0.00 N ATOM 774 CA ASP A 55 6.855 1.631 6.917 1.00 0.00 C ATOM 775 C ASP A 55 8.045 0.827 6.373 1.00 0.00 C ATOM 776 O ASP A 55 7.910 -0.346 6.001 1.00 0.00 O ATOM 777 CB ASP A 55 5.797 0.703 7.538 1.00 0.00 C ATOM 778 CG ASP A 55 5.075 1.351 8.704 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.040 2.009 8.470 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 5.545 1.200 9.852 1.00 0.00 O ATOM 0 H ASP A 55 5.975 1.871 5.035 1.00 0.00 H new ATOM 0 HA ASP A 55 7.216 2.297 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.071 0.422 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.276 -0.216 7.876 1.00 0.00 H new ATOM 785 N SER A 56 9.213 1.485 6.316 1.00 0.00 N ATOM 786 CA SER A 56 10.453 0.873 5.806 1.00 0.00 C ATOM 787 C SER A 56 11.104 -0.093 6.815 1.00 0.00 C ATOM 788 O SER A 56 12.171 -0.656 6.542 1.00 0.00 O ATOM 789 CB SER A 56 11.447 1.974 5.419 1.00 0.00 C ATOM 790 OG SER A 56 12.427 1.482 4.521 1.00 0.00 O ATOM 0 H SER A 56 9.326 2.452 6.620 1.00 0.00 H new ATOM 0 HA SER A 56 10.185 0.281 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.913 2.806 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.932 2.362 6.315 1.00 0.00 H new ATOM 0 HG SER A 56 12.754 0.614 4.837 1.00 0.00 H new ATOM 796 N ALA A 57 10.450 -0.292 7.968 1.00 0.00 N ATOM 797 CA ALA A 57 10.960 -1.188 9.010 1.00 0.00 C ATOM 798 C ALA A 57 10.450 -2.619 8.819 1.00 0.00 C ATOM 799 O ALA A 57 11.222 -3.576 8.929 1.00 0.00 O ATOM 800 CB ALA A 57 10.580 -0.663 10.389 1.00 0.00 C ATOM 0 H ALA A 57 9.565 0.158 8.201 1.00 0.00 H new ATOM 0 HA ALA A 57 12.047 -1.213 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.965 -1.338 11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.008 0.329 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.495 -0.604 10.470 1.00 0.00 H new ATOM 806 N ARG A 58 9.148 -2.751 8.533 1.00 0.00 N ATOM 807 CA ARG A 58 8.520 -4.059 8.322 1.00 0.00 C ATOM 808 C ARG A 58 8.158 -4.285 6.845 1.00 0.00 C ATOM 809 O ARG A 58 7.473 -5.259 6.506 1.00 0.00 O ATOM 810 CB ARG A 58 7.271 -4.185 9.203 1.00 0.00 C ATOM 811 CG ARG A 58 7.577 -4.549 10.651 1.00 0.00 C ATOM 812 CD ARG A 58 7.430 -6.042 10.898 1.00 0.00 C ATOM 813 NE ARG A 58 7.763 -6.406 12.280 1.00 0.00 N ATOM 814 CZ ARG A 58 8.588 -7.404 12.632 1.00 0.00 C ATOM 815 NH1 ARG A 58 9.186 -8.161 11.713 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 8.814 -7.643 13.916 1.00 0.00 N ATOM 0 H ARG A 58 8.507 -1.962 8.442 1.00 0.00 H new ATOM 0 HA ARG A 58 9.240 -4.827 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.726 -3.241 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.613 -4.943 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.592 -4.237 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.906 -4.003 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.406 -6.347 10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.078 -6.588 10.213 1.00 0.00 H new ATOM 0 HE ARG A 58 7.336 -5.860 13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.020 -7.986 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.810 -8.915 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.362 -7.070 14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.440 -8.400 14.191 1.00 0.00 H new ATOM 830 N GLU A 59 8.640 -3.383 5.958 1.00 0.00 N ATOM 831 CA GLU A 59 8.380 -3.444 4.496 1.00 0.00 C ATOM 832 C GLU A 59 6.878 -3.322 4.187 1.00 0.00 C ATOM 833 O GLU A 59 6.297 -4.137 3.456 1.00 0.00 O ATOM 834 CB GLU A 59 8.976 -4.726 3.872 1.00 0.00 C ATOM 835 CG GLU A 59 10.495 -4.707 3.762 1.00 0.00 C ATOM 836 CD GLU A 59 10.980 -4.084 2.467 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.811 -4.718 1.403 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.527 -2.962 2.516 1.00 0.00 O1- ATOM 0 H GLU A 59 9.221 -2.591 6.234 1.00 0.00 H new ATOM 0 HA GLU A 59 8.881 -2.590 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.675 -5.585 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.551 -4.867 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.909 -4.153 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.873 -5.727 3.834 1.00 0.00 H new ATOM 845 N VAL A 60 6.263 -2.281 4.761 1.00 0.00 N ATOM 846 CA VAL A 60 4.830 -2.005 4.583 1.00 0.00 C ATOM 847 C VAL A 60 4.615 -0.510 4.296 1.00 0.00 C ATOM 848 O VAL A 60 5.512 0.302 4.525 1.00 0.00 O ATOM 849 CB VAL A 60 3.988 -2.406 5.839 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.524 -2.637 5.476 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.542 -3.646 6.541 1.00 0.00 C ATOM 0 H VAL A 60 6.741 -1.608 5.360 1.00 0.00 H new ATOM 0 HA VAL A 60 4.491 -2.608 3.741 1.00 0.00 H new ATOM 0 HB VAL A 60 4.058 -1.566 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.967 -2.914 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.105 -1.723 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.453 -3.439 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.922 -3.882 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.536 -4.489 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.563 -3.453 6.869 1.00 0.00 H new ATOM 861 N CYS A 61 3.428 -0.165 3.766 1.00 0.00 N ATOM 862 CA CYS A 61 3.068 1.228 3.455 1.00 0.00 C ATOM 863 C CYS A 61 1.562 1.408 3.450 1.00 0.00 C ATOM 864 O CYS A 61 0.823 0.505 3.048 1.00 0.00 O ATOM 865 CB CYS A 61 3.617 1.664 2.094 1.00 0.00 C ATOM 866 SG CYS A 61 5.319 2.259 2.164 1.00 0.00 S ATOM 0 H CYS A 61 2.696 -0.840 3.543 1.00 0.00 H new ATOM 0 HA CYS A 61 3.513 1.848 4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.562 0.823 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.981 2.452 1.690 1.00 0.00 H new ATOM 0 HG CYS A 61 6.119 1.339 1.712 1.00 0.00 H new ATOM 872 N LEU A 62 1.119 2.581 3.903 1.00 0.00 N ATOM 873 CA LEU A 62 -0.299 2.913 3.923 1.00 0.00 C ATOM 874 C LEU A 62 -0.624 3.742 2.697 1.00 0.00 C ATOM 875 O LEU A 62 0.109 4.675 2.364 1.00 0.00 O ATOM 876 CB LEU A 62 -0.687 3.688 5.191 1.00 0.00 C ATOM 877 CG LEU A 62 -2.021 3.290 5.875 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.147 3.042 4.862 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.826 2.071 6.767 1.00 0.00 C ATOM 0 H LEU A 62 1.727 3.317 4.262 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.870 1.984 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.116 3.571 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.737 4.747 4.939 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.326 4.135 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.059 2.766 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.323 3.949 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.860 2.234 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.774 1.809 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.475 1.232 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.089 2.298 7.538 1.00 0.00 H new ATOM 891 N VAL A 63 -1.717 3.391 2.031 1.00 0.00 N ATOM 892 CA VAL A 63 -2.119 4.079 0.812 1.00 0.00 C ATOM 893 C VAL A 63 -3.622 4.358 0.798 1.00 0.00 C ATOM 894 O VAL A 63 -4.423 3.553 1.284 1.00 0.00 O ATOM 895 CB VAL A 63 -1.682 3.276 -0.472 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.053 1.935 -0.118 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.828 3.060 -1.448 1.00 0.00 C ATOM 0 H VAL A 63 -2.340 2.635 2.315 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.603 5.039 0.796 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.933 3.898 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.767 1.415 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.169 2.099 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.773 1.330 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.469 2.502 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.623 2.498 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.215 4.025 -1.774 1.00 0.00 H new ATOM 907 N GLN A 64 -3.975 5.517 0.235 1.00 0.00 N ATOM 908 CA GLN A 64 -5.368 5.926 0.084 1.00 0.00 C ATOM 909 C GLN A 64 -5.833 5.499 -1.309 1.00 0.00 C ATOM 910 O GLN A 64 -5.070 5.600 -2.273 1.00 0.00 O ATOM 911 CB GLN A 64 -5.527 7.443 0.265 1.00 0.00 C ATOM 912 CG GLN A 64 -6.947 7.886 0.627 1.00 0.00 C ATOM 913 CD GLN A 64 -7.002 8.694 1.911 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.395 9.763 2.016 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.736 8.190 2.896 1.00 0.00 N ATOM 0 H GLN A 64 -3.303 6.194 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.977 5.449 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.844 7.778 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.227 7.941 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.356 8.481 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.582 7.006 0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.222 7.302 2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.814 8.690 3.781 1.00 0.00 H new ATOM 924 N PHE A 65 -7.073 5.039 -1.410 1.00 0.00 N ATOM 925 CA PHE A 65 -7.597 4.543 -2.677 1.00 0.00 C ATOM 926 C PHE A 65 -8.643 5.469 -3.296 1.00 0.00 C ATOM 927 O PHE A 65 -9.194 6.344 -2.622 1.00 0.00 O ATOM 928 CB PHE A 65 -8.139 3.133 -2.443 1.00 0.00 C ATOM 929 CG PHE A 65 -7.045 2.162 -2.070 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.558 2.086 -0.771 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.487 1.352 -3.029 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.539 1.212 -0.451 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.471 0.477 -2.716 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.998 0.406 -1.427 1.00 0.00 C ATOM 0 H PHE A 65 -7.733 4.999 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.790 4.515 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.887 3.159 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.642 2.784 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.981 2.717 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.851 1.402 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.167 1.161 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.046 -0.153 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.203 -0.282 -1.180 1.00 0.00 H new ATOM 944 N GLU A 66 -8.899 5.254 -4.605 1.00 0.00 N ATOM 945 CA GLU A 66 -9.854 6.053 -5.394 1.00 0.00 C ATOM 946 C GLU A 66 -11.246 6.131 -4.754 1.00 0.00 C ATOM 947 O GLU A 66 -11.868 7.198 -4.768 1.00 0.00 O ATOM 948 CB GLU A 66 -9.968 5.483 -6.809 1.00 0.00 C ATOM 949 CG GLU A 66 -10.034 6.552 -7.897 1.00 0.00 C ATOM 950 CD GLU A 66 -8.663 6.985 -8.402 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.792 6.110 -8.610 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.466 8.202 -8.604 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.445 4.517 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.461 7.069 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.113 4.835 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.860 4.860 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.618 6.172 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.562 7.423 -7.509 1.00 0.00 H new ATOM 959 N ASP A 67 -11.729 5.008 -4.195 1.00 0.00 N ATOM 960 CA ASP A 67 -13.045 4.983 -3.555 1.00 0.00 C ATOM 961 C ASP A 67 -12.952 5.378 -2.056 1.00 0.00 C ATOM 962 O ASP A 67 -13.718 4.892 -1.216 1.00 0.00 O ATOM 963 CB ASP A 67 -13.682 3.598 -3.774 1.00 0.00 C ATOM 964 CG ASP A 67 -15.147 3.526 -3.366 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.986 4.140 -4.058 1.00 0.00 O1- ATOM 966 OD2 ASP A 67 -15.450 2.855 -2.357 1.00 0.00 O ATOM 0 H ASP A 67 -11.231 4.118 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.693 5.729 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.594 3.330 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.120 2.856 -3.208 1.00 0.00 H new ATOM 971 N ASP A 68 -11.996 6.291 -1.744 1.00 0.00 N ATOM 972 CA ASP A 68 -11.766 6.826 -0.378 1.00 0.00 C ATOM 973 C ASP A 68 -11.593 5.725 0.687 1.00 0.00 C ATOM 974 O ASP A 68 -12.347 5.659 1.668 1.00 0.00 O ATOM 975 CB ASP A 68 -12.890 7.801 0.020 1.00 0.00 C ATOM 976 CG ASP A 68 -12.733 9.162 -0.631 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.812 9.906 -0.235 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -13.531 9.481 -1.537 1.00 0.00 O ATOM 0 H ASP A 68 -11.359 6.679 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.820 7.367 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.853 7.375 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.898 7.918 1.104 1.00 0.00 H new ATOM 983 N SER A 69 -10.593 4.864 0.481 1.00 0.00 N ATOM 984 CA SER A 69 -10.310 3.777 1.416 1.00 0.00 C ATOM 985 C SER A 69 -8.862 3.799 1.878 1.00 0.00 C ATOM 986 O SER A 69 -7.945 3.895 1.061 1.00 0.00 O ATOM 987 CB SER A 69 -10.614 2.416 0.779 1.00 0.00 C ATOM 988 OG SER A 69 -11.087 1.496 1.748 1.00 0.00 O ATOM 0 H SER A 69 -9.968 4.900 -0.324 1.00 0.00 H new ATOM 0 HA SER A 69 -10.956 3.926 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.359 2.537 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.714 2.022 0.307 1.00 0.00 H new ATOM 0 HG SER A 69 -11.276 0.636 1.318 1.00 0.00 H new ATOM 994 N GLN A 70 -8.672 3.731 3.199 1.00 0.00 N ATOM 995 CA GLN A 70 -7.338 3.680 3.785 1.00 0.00 C ATOM 996 C GLN A 70 -7.018 2.220 4.084 1.00 0.00 C ATOM 997 O GLN A 70 -7.382 1.683 5.138 1.00 0.00 O ATOM 998 CB GLN A 70 -7.246 4.544 5.052 1.00 0.00 C ATOM 999 CG GLN A 70 -6.595 5.902 4.823 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.079 5.836 4.765 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.535 5.837 3.554 1.00 0.00 O flip ATOM 1002 NE2 GLN A 70 -4.408 5.787 5.796 1.00 0.00 N flip ATOM 0 H GLN A 70 -9.430 3.710 3.881 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.608 4.088 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.249 4.695 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.679 4.003 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.970 6.325 3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.892 6.580 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.870 5.789 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.390 5.745 5.741 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.350 1.585 3.126 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.018 0.172 3.217 1.00 0.00 C ATOM 1013 C PHE A 71 -4.509 -0.042 3.235 1.00 0.00 C ATOM 1014 O PHE A 71 -3.795 0.420 2.339 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.674 -0.555 2.025 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.006 -1.240 2.297 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.773 -0.974 3.434 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.494 -2.156 1.381 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.981 -1.614 3.639 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.702 -2.796 1.584 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.445 -2.526 2.715 1.00 0.00 C ATOM 0 H PHE A 71 -6.026 2.035 2.270 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.400 -0.237 4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.820 0.168 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.974 -1.304 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.418 -0.260 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.921 -2.374 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.562 -1.399 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.065 -3.508 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.388 -3.028 2.876 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.038 -0.749 4.275 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.609 -1.048 4.452 1.00 0.00 C ATOM 1033 C LEU A 72 -2.170 -2.139 3.490 1.00 0.00 C ATOM 1034 O LEU A 72 -2.833 -3.172 3.356 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.253 -1.487 5.904 1.00 0.00 C ATOM 1036 CG LEU A 72 -3.360 -2.118 6.789 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.399 -1.080 7.180 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -4.017 -3.324 6.116 1.00 0.00 C ATOM 0 H LEU A 72 -4.633 -1.127 5.012 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.079 -0.119 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.434 -2.203 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.871 -0.611 6.429 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.878 -2.481 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.164 -1.547 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.919 -0.277 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.860 -0.670 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.785 -3.733 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.471 -3.013 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.263 -4.087 5.920 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.057 -1.888 2.823 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.511 -2.844 1.848 1.00 0.00 C ATOM 1052 C VAL A 73 0.973 -3.105 2.076 1.00 0.00 C ATOM 1053 O VAL A 73 1.706 -2.237 2.557 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.707 -2.391 0.370 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.903 -3.601 -0.542 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.870 -1.411 0.220 1.00 0.00 C ATOM 0 H VAL A 73 -0.508 -1.035 2.931 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.079 -3.760 2.010 1.00 0.00 H new ATOM 0 HB VAL A 73 0.200 -1.867 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.038 -3.264 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.026 -4.246 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.785 -4.157 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.970 -1.122 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.792 -1.887 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.679 -0.524 0.825 1.00 0.00 H new ATOM 1066 N LEU A 74 1.393 -4.321 1.706 1.00 0.00 N ATOM 1067 CA LEU A 74 2.784 -4.756 1.831 1.00 0.00 C ATOM 1068 C LEU A 74 3.561 -4.414 0.566 1.00 0.00 C ATOM 1069 O LEU A 74 2.999 -4.424 -0.532 1.00 0.00 O ATOM 1070 CB LEU A 74 2.864 -6.283 2.077 1.00 0.00 C ATOM 1071 CG LEU A 74 2.163 -6.859 3.334 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.472 -6.045 4.583 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.655 -6.972 3.123 1.00 0.00 C ATOM 0 H LEU A 74 0.775 -5.030 1.311 1.00 0.00 H new ATOM 0 HA LEU A 74 3.222 -4.234 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.446 -6.784 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.918 -6.558 2.128 1.00 0.00 H new ATOM 0 HG LEU A 74 2.563 -7.861 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.960 -6.484 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.547 -6.047 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.130 -5.020 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.191 -7.379 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.242 -5.985 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.454 -7.633 2.280 1.00 0.00 H new ATOM 1085 N TRP A 75 4.864 -4.140 0.724 1.00 0.00 N ATOM 1086 CA TRP A 75 5.746 -3.794 -0.410 1.00 0.00 C ATOM 1087 C TRP A 75 5.836 -4.926 -1.448 1.00 0.00 C ATOM 1088 O TRP A 75 6.294 -4.704 -2.573 1.00 0.00 O ATOM 1089 CB TRP A 75 7.155 -3.438 0.090 1.00 0.00 C ATOM 1090 CG TRP A 75 7.255 -2.137 0.854 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.254 -1.485 1.529 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.437 -1.335 1.033 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.740 -0.338 2.101 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.072 -0.222 1.813 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.769 -1.447 0.607 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.983 0.766 2.177 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.671 -0.464 0.972 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.273 0.630 1.750 1.00 0.00 C ATOM 0 H TRP A 75 5.336 -4.150 1.628 1.00 0.00 H new ATOM 0 HA TRP A 75 5.302 -2.928 -0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.511 -4.245 0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.827 -3.391 -0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.232 -1.826 1.599 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.195 0.324 2.654 1.00 0.00 H new ATOM 0 HE3 TRP A 75 10.085 -2.286 0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.680 1.611 2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.699 -0.542 0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.001 1.381 2.018 1.00 0.00 H new ATOM 1109 N LYS A 76 5.395 -6.134 -1.058 1.00 0.00 N ATOM 1110 CA LYS A 76 5.404 -7.302 -1.953 1.00 0.00 C ATOM 1111 C LYS A 76 4.097 -7.395 -2.758 1.00 0.00 C ATOM 1112 O LYS A 76 4.075 -7.965 -3.852 1.00 0.00 O ATOM 1113 CB LYS A 76 5.651 -8.613 -1.173 1.00 0.00 C ATOM 1114 CG LYS A 76 4.910 -8.729 0.160 1.00 0.00 C ATOM 1115 CD LYS A 76 5.307 -9.988 0.914 1.00 0.00 C ATOM 1116 CE LYS A 76 4.927 -9.900 2.384 1.00 0.00 C ATOM 1117 NZ LYS A 76 5.943 -9.154 3.178 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.027 -6.327 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 76 6.229 -7.166 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.362 -9.453 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.720 -8.709 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.125 -7.854 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.835 -8.736 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.820 -10.853 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.382 -10.144 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.959 -9.408 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.815 -10.905 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.646 -9.117 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.861 -9.637 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.032 -8.187 2.807 1.00 0.00 H new ATOM 1131 N ASP A 77 3.018 -6.827 -2.198 1.00 0.00 N ATOM 1132 CA ASP A 77 1.701 -6.818 -2.847 1.00 0.00 C ATOM 1133 C ASP A 77 1.449 -5.491 -3.573 1.00 0.00 C ATOM 1134 O ASP A 77 0.361 -5.268 -4.117 1.00 0.00 O ATOM 1135 CB ASP A 77 0.604 -7.057 -1.805 1.00 0.00 C ATOM 1136 CG ASP A 77 0.157 -8.504 -1.750 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.867 -9.321 -1.123 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -0.900 -8.823 -2.333 1.00 0.00 O1- ATOM 0 H ASP A 77 3.034 -6.364 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 77 1.682 -7.619 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.969 -6.756 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.253 -6.424 -2.034 1.00 0.00 H new ATOM 1143 N ILE A 78 2.468 -4.624 -3.591 1.00 0.00 N ATOM 1144 CA ILE A 78 2.362 -3.311 -4.227 1.00 0.00 C ATOM 1145 C ILE A 78 3.128 -3.268 -5.555 1.00 0.00 C ATOM 1146 O ILE A 78 4.225 -3.820 -5.677 1.00 0.00 O ATOM 1147 CB ILE A 78 2.862 -2.186 -3.268 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.909 -2.079 -2.063 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.964 -0.834 -3.985 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.510 -1.416 -0.845 1.00 0.00 C ATOM 0 H ILE A 78 3.378 -4.812 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 78 1.308 -3.135 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 78 3.862 -2.450 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.023 -1.520 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.576 -3.080 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.315 -0.076 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.666 -0.914 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.983 -0.549 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.769 -1.383 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.378 -1.985 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.816 -0.401 -1.097 1.00 0.00 H new ATOM 1162 N SER A 79 2.513 -2.601 -6.538 1.00 0.00 N ATOM 1163 CA SER A 79 3.093 -2.423 -7.867 1.00 0.00 C ATOM 1164 C SER A 79 2.996 -0.942 -8.271 1.00 0.00 C ATOM 1165 O SER A 79 1.895 -0.457 -8.546 1.00 0.00 O ATOM 1166 CB SER A 79 2.366 -3.305 -8.893 1.00 0.00 C ATOM 1167 OG SER A 79 3.286 -3.925 -9.775 1.00 0.00 O ATOM 0 H SER A 79 1.595 -2.169 -6.430 1.00 0.00 H new ATOM 0 HA SER A 79 4.141 -2.722 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.784 -4.067 -8.375 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.662 -2.700 -9.464 1.00 0.00 H new ATOM 0 HG SER A 79 2.799 -4.482 -10.417 1.00 0.00 H new ATOM 1173 N PRO A 80 4.131 -0.171 -8.298 1.00 0.00 N ATOM 1174 CA PRO A 80 4.107 1.264 -8.670 1.00 0.00 C ATOM 1175 C PRO A 80 3.439 1.527 -10.026 1.00 0.00 C ATOM 1176 O PRO A 80 3.853 0.986 -11.058 1.00 0.00 O ATOM 1177 CB PRO A 80 5.590 1.649 -8.709 1.00 0.00 C ATOM 1178 CG PRO A 80 6.244 0.694 -7.777 1.00 0.00 C ATOM 1179 CD PRO A 80 5.507 -0.607 -7.947 1.00 0.00 C ATOM 0 HA PRO A 80 3.518 1.849 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.997 1.563 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.741 2.681 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.302 0.579 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.183 1.047 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.948 -1.221 -8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.521 -1.201 -7.033 1.00 0.00 H new ATOM 1187 N ALA A 81 2.390 2.362 -9.995 1.00 0.00 N ATOM 1188 CA ALA A 81 1.620 2.725 -11.187 1.00 0.00 C ATOM 1189 C ALA A 81 2.342 3.777 -12.032 1.00 0.00 C ATOM 1190 O ALA A 81 3.115 4.582 -11.502 1.00 0.00 O ATOM 1191 CB ALA A 81 0.247 3.238 -10.776 1.00 0.00 C ATOM 0 H ALA A 81 2.054 2.804 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 81 1.510 1.830 -11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.322 3.507 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.283 2.459 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.362 4.116 -10.140 1.00 0.00 H new ATOM 1197 N ALA A 82 2.080 3.757 -13.341 1.00 0.00 N ATOM 1198 CA ALA A 82 2.694 4.701 -14.275 1.00 0.00 C ATOM 1199 C ALA A 82 1.651 5.629 -14.900 1.00 0.00 C ATOM 1200 O ALA A 82 1.884 6.835 -15.025 1.00 0.00 O ATOM 1201 CB ALA A 82 3.459 3.952 -15.357 1.00 0.00 C ATOM 0 H ALA A 82 1.442 3.092 -13.779 1.00 0.00 H new ATOM 0 HA ALA A 82 3.393 5.320 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.910 4.667 -16.045 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.241 3.347 -14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.774 3.305 -15.905 1.00 0.00 H new ATOM 1207 N LEU A 83 0.503 5.057 -15.288 1.00 0.00 N ATOM 1208 CA LEU A 83 -0.582 5.822 -15.903 1.00 0.00 C ATOM 1209 C LEU A 83 -1.828 5.802 -15.022 1.00 0.00 C ATOM 1210 CB LEU A 83 -0.911 5.256 -17.287 1.00 0.00 C ATOM 1211 CG LEU A 83 -1.089 6.297 -18.397 1.00 0.00 C ATOM 1212 CD1 LEU A 83 0.208 6.482 -19.173 1.00 0.00 C ATOM 1213 CD2 LEU A 83 -2.216 5.888 -19.333 1.00 0.00 C ATOM 0 H LEU A 83 0.305 4.062 -15.185 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.251 6.855 -16.010 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.115 4.571 -17.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.826 4.669 -17.213 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.350 7.249 -17.936 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.060 7.225 -19.957 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.992 6.820 -18.496 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.501 5.534 -19.623 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.329 6.638 -20.116 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.982 4.924 -19.785 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.146 5.808 -18.770 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -24.220 -1.206 -3.507 1.00 0.00 N ATOM 1227 CA ALA B 331 -23.919 -0.014 -4.340 1.00 0.00 C ATOM 1228 C ALA B 331 -22.609 0.637 -3.911 1.00 0.00 C ATOM 1229 O ALA B 331 -22.330 0.756 -2.715 1.00 0.00 O ATOM 1230 CB ALA B 331 -25.059 0.990 -4.254 1.00 0.00 C ATOM 0 HA ALA B 331 -23.812 -0.341 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -24.826 1.859 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -25.979 0.528 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -25.191 1.303 -3.218 1.00 0.00 H new ATOM 1235 N THR B 332 -21.810 1.067 -4.909 1.00 0.00 N ATOM 1236 CA THR B 332 -20.497 1.722 -4.691 1.00 0.00 C ATOM 1237 C THR B 332 -19.505 0.795 -3.978 1.00 0.00 C ATOM 1238 O THR B 332 -19.754 0.354 -2.851 1.00 0.00 O ATOM 1239 CB THR B 332 -20.608 3.057 -3.897 1.00 0.00 C ATOM 1240 OG1 THR B 332 -21.946 3.572 -3.957 1.00 0.00 O ATOM 1241 CG2 THR B 332 -19.645 4.102 -4.449 1.00 0.00 C ATOM 0 H THR B 332 -22.056 0.971 -5.894 1.00 0.00 H new ATOM 0 HA THR B 332 -20.124 1.950 -5.689 1.00 0.00 H new ATOM 0 HB THR B 332 -20.348 2.845 -2.860 1.00 0.00 H new ATOM 0 HG1 THR B 332 -21.997 4.410 -3.451 1.00 0.00 H new ATOM 0 HG21 THR B 332 -19.742 5.025 -3.877 1.00 0.00 H new ATOM 0 HG22 THR B 332 -18.623 3.732 -4.370 1.00 0.00 H new ATOM 0 HG23 THR B 332 -19.880 4.297 -5.495 1.00 0.00 H new ATOM 1249 N GLY B 333 -18.386 0.512 -4.652 1.00 0.00 N ATOM 1250 CA GLY B 333 -17.361 -0.355 -4.091 1.00 0.00 C ATOM 1251 C GLY B 333 -16.364 -0.826 -5.131 1.00 0.00 C ATOM 1252 O GLY B 333 -16.197 -2.033 -5.332 1.00 0.00 O ATOM 0 H GLY B 333 -18.173 0.872 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -16.832 0.178 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -17.835 -1.221 -3.629 1.00 0.00 H new ATOM 1256 N GLY B 334 -15.706 0.134 -5.791 1.00 0.00 N ATOM 1257 CA GLY B 334 -14.722 -0.188 -6.813 1.00 0.00 C ATOM 1258 C GLY B 334 -14.721 0.807 -7.958 1.00 0.00 C ATOM 1259 O GLY B 334 -15.137 0.475 -9.071 1.00 0.00 O ATOM 0 H GLY B 334 -15.841 1.133 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -13.731 -0.217 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -14.923 -1.185 -7.204 1.00 0.00 H new ATOM 1263 N VAL B 335 -14.253 2.026 -7.676 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.187 3.091 -8.681 1.00 0.00 C ATOM 1265 C VAL B 335 -12.731 3.331 -9.150 1.00 0.00 C ATOM 1266 O VAL B 335 -12.477 4.203 -9.987 1.00 0.00 O ATOM 1267 CB VAL B 335 -14.852 4.404 -8.143 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -13.981 5.128 -7.110 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -15.227 5.345 -9.287 1.00 0.00 C ATOM 0 H VAL B 335 -13.912 2.301 -6.755 1.00 0.00 H new ATOM 0 HA VAL B 335 -14.754 2.770 -9.555 1.00 0.00 H new ATOM 0 HB VAL B 335 -15.765 4.098 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -14.491 6.030 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -13.804 4.471 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -13.028 5.399 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -15.686 6.246 -8.881 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -14.330 5.614 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -15.932 4.846 -9.952 1.00 0.00 H new HETATM 1279 N M3L B 336 -11.792 2.541 -8.599 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.354 2.637 -8.934 1.00 0.00 C HETATM 1281 CB M3L B 336 -9.542 1.644 -8.087 1.00 0.00 C HETATM 1282 CG M3L B 336 -9.691 1.842 -6.586 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.709 0.879 -6.008 1.00 0.00 C HETATM 1284 CE M3L B 336 -11.222 1.363 -4.642 1.00 0.00 C HETATM 1285 NZ M3L B 336 -11.002 0.400 -3.487 1.00 0.00 N HETATM 1286 C M3L B 336 -10.084 2.372 -10.421 1.00 0.00 C HETATM 1287 O M3L B 336 -10.910 1.768 -11.113 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.557 0.088 -3.286 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.787 -0.846 -3.717 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.469 1.029 -2.235 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.908 1.947 -2.058 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.530 1.263 -2.319 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.314 0.342 -1.403 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.847 -0.601 -3.786 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.462 -1.315 -4.646 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.628 -1.535 -2.887 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.154 -0.368 -4.190 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.013 1.007 -3.070 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.447 -0.603 -2.451 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -8.727 1.693 -6.099 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -9.998 2.867 -6.380 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.734 2.308 -4.403 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -12.289 1.567 -4.725 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -11.547 0.775 -6.697 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -10.259 -0.108 -5.901 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -9.849 0.630 -8.341 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -8.488 1.734 -8.352 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.045 3.658 -8.712 1.00 0.00 H new HETATM 0 H M3L B 336 -12.107 1.878 -7.891 1.00 0.00 H new ATOM 1310 N LYS B 337 -8.918 2.834 -10.893 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.510 2.663 -12.293 1.00 0.00 C ATOM 1312 C LYS B 337 -7.056 2.121 -12.391 1.00 0.00 C ATOM 1313 O LYS B 337 -6.170 2.800 -12.925 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.677 3.991 -13.083 1.00 0.00 C ATOM 1315 CG LYS B 337 -8.272 5.265 -12.325 1.00 0.00 C ATOM 1316 CD LYS B 337 -9.430 5.854 -11.509 1.00 0.00 C ATOM 1317 CE LYS B 337 -9.753 7.284 -11.926 1.00 0.00 C ATOM 1318 NZ LYS B 337 -8.897 8.273 -11.212 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.237 3.332 -10.320 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.166 1.921 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -8.084 3.928 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -9.720 4.085 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -7.440 5.039 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -7.917 6.010 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -10.316 5.231 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -9.174 5.834 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -9.612 7.390 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.802 7.495 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -8.958 9.194 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -9.225 8.371 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -7.910 7.945 -11.216 1.00 0.00 H new ATOM 1332 N PRO B 338 -6.786 0.876 -11.867 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.438 0.239 -11.901 1.00 0.00 C ATOM 1334 C PRO B 338 -4.917 -0.054 -13.321 1.00 0.00 C ATOM 1335 O PRO B 338 -5.314 0.610 -14.283 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.655 -1.073 -11.119 1.00 0.00 C ATOM 1337 CG PRO B 338 -6.837 -0.803 -10.276 1.00 0.00 C ATOM 1338 CD PRO B 338 -7.744 0.000 -11.154 1.00 0.00 C ATOM 0 HA PRO B 338 -4.679 0.898 -11.480 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.829 -1.913 -11.791 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -4.784 -1.324 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.314 -1.728 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -6.565 -0.252 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.310 -0.630 -11.841 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.469 0.573 -10.576 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.021 -1.058 -13.428 1.00 0.00 N ATOM 1347 CA HIS B 339 -3.407 -1.474 -14.701 1.00 0.00 C ATOM 1348 C HIS B 339 -4.460 -1.829 -15.771 1.00 0.00 C ATOM 1349 O HIS B 339 -4.319 -1.456 -16.940 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.439 -2.659 -14.435 1.00 0.00 C ATOM 1351 CG HIS B 339 -3.067 -4.022 -14.463 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -3.915 -4.606 -13.594 1.00 0.00 N flip ATOM 1353 CD2 HIS B 339 -2.846 -4.942 -15.464 1.00 0.00 C flip ATOM 1354 CE1 HIS B 339 -4.198 -5.859 -14.077 1.00 0.00 C flip ATOM 1355 NE2 HIS B 339 -3.539 -6.038 -15.208 1.00 0.00 N flip ATOM 0 H HIS B 339 -3.703 -1.604 -12.627 1.00 0.00 H new ATOM 0 HA HIS B 339 -2.844 -0.633 -15.105 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -1.642 -2.629 -15.178 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -1.972 -2.513 -13.461 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -2.208 -4.792 -16.322 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -4.852 -6.580 -13.609 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -3.561 -6.879 -15.785 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.507 -2.552 -15.346 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.597 -2.975 -16.232 1.00 0.00 C ATOM 1366 C ARG B 340 -7.923 -3.027 -15.472 1.00 0.00 C ATOM 1367 O ARG B 340 -8.960 -2.617 -16.000 1.00 0.00 O ATOM 1368 CB ARG B 340 -6.292 -4.351 -16.844 1.00 0.00 C ATOM 1369 CG ARG B 340 -6.671 -4.468 -18.311 1.00 0.00 C ATOM 1370 CD ARG B 340 -6.110 -5.741 -18.934 1.00 0.00 C ATOM 1371 NE ARG B 340 -7.154 -6.545 -19.577 1.00 0.00 N ATOM 1372 CZ ARG B 340 -7.110 -7.877 -19.725 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -6.076 -8.586 -19.275 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -8.111 -8.502 -20.328 1.00 0.00 N ATOM 0 H ARG B 340 -5.620 -2.858 -14.380 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.682 -2.243 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -5.227 -4.558 -16.736 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -6.825 -5.116 -16.279 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -7.757 -4.462 -18.409 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -6.297 -3.600 -18.855 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -5.349 -5.480 -19.670 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -5.618 -6.335 -18.164 1.00 0.00 H new ATOM 0 HE ARG B 340 -7.973 -6.056 -19.938 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -5.300 -8.116 -18.809 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -6.060 -9.599 -19.397 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -8.909 -7.970 -20.676 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -8.084 -9.515 -20.444 1.00 0.00 H new ATOM 1388 N TYR B 341 -7.873 -3.534 -14.231 1.00 0.00 N ATOM 1389 CA TYR B 341 -9.064 -3.648 -13.385 1.00 0.00 C ATOM 1390 C TYR B 341 -8.770 -3.164 -11.969 1.00 0.00 C ATOM 1391 CB TYR B 341 -9.564 -5.097 -13.345 1.00 0.00 C ATOM 1392 CG TYR B 341 -10.236 -5.550 -14.625 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -11.576 -5.269 -14.872 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -9.530 -6.262 -15.587 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -12.190 -5.683 -16.038 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -10.137 -6.679 -16.756 1.00 0.00 C ATOM 1397 CZ TYR B 341 -11.466 -6.387 -16.976 1.00 0.00 C ATOM 1398 OH TYR B 341 -12.075 -6.802 -18.139 1.00 0.00 O ATOM 0 H TYR B 341 -7.016 -3.872 -13.793 1.00 0.00 H new ATOM 0 HA TYR B 341 -9.842 -3.018 -13.817 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -8.721 -5.756 -13.136 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -10.267 -5.206 -12.519 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -12.146 -4.717 -14.139 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -8.489 -6.493 -15.418 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -13.231 -5.456 -16.214 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -9.573 -7.231 -17.494 1.00 0.00 H new ATOM 0 HH TYR B 341 -11.427 -7.284 -18.694 1.00 0.00 H new TER 1408 TYR B 341