USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.12 (180deg=-0.556) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -170:sc= -1.08 USER MOD Single : A -1 GLY N :NH3+ -170:sc=-0.00152 (180deg=-0.121) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.69) USER MOD Single : A 23 ASN : amide:sc= -2.99! K(o=-3!,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -35:sc= 0.112 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -8.29! C(o=-8.3!,f=-5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= 0.092 X(o=0.092,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 2.719 -19.899 -6.660 1.00 0.00 N ATOM 2 CA GLY A -1 2.225 -19.743 -5.264 1.00 0.00 C ATOM 3 C GLY A -1 2.461 -20.983 -4.423 1.00 0.00 C ATOM 4 O GLY A -1 2.663 -20.890 -3.212 1.00 0.00 O ATOM 0 H1 GLY A -1 2.691 -18.978 -7.143 1.00 0.00 H new ATOM 0 H2 GLY A -1 3.697 -20.252 -6.645 1.00 0.00 H new ATOM 0 H3 GLY A -1 2.114 -20.575 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.723 -18.892 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A -1 1.159 -19.518 -5.282 1.00 0.00 H new ATOM 10 N ASP A 0 2.435 -22.145 -5.066 1.00 0.00 N ATOM 11 CA ASP A 0 2.646 -23.409 -4.369 1.00 0.00 C ATOM 12 C ASP A 0 4.096 -23.864 -4.498 1.00 0.00 C ATOM 13 O ASP A 0 4.688 -23.787 -5.574 1.00 0.00 O ATOM 14 CB ASP A 0 1.711 -24.484 -4.925 1.00 0.00 C ATOM 15 CG ASP A 0 1.656 -25.714 -4.040 1.00 0.00 C ATOM 16 OD1 ASP A 0 0.807 -25.750 -3.124 1.00 0.00 O ATOM 17 OD2 ASP A 0 2.460 -26.644 -4.264 1.00 0.00 O ATOM 0 H ASP A 0 2.270 -22.238 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 0 2.424 -23.255 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 0 0.708 -24.070 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 0 2.044 -24.771 -5.922 1.00 0.00 H new ATOM 22 N GLU A 1 4.663 -24.337 -3.392 1.00 0.00 N ATOM 23 CA GLU A 1 6.045 -24.805 -3.381 1.00 0.00 C ATOM 24 C GLU A 1 7.006 -23.663 -3.698 1.00 0.00 C ATOM 25 O GLU A 1 7.910 -23.806 -4.521 1.00 0.00 O ATOM 26 CB GLU A 1 6.230 -25.943 -4.389 1.00 0.00 C ATOM 27 CG GLU A 1 7.090 -27.082 -3.868 1.00 0.00 C ATOM 28 CD GLU A 1 7.927 -27.726 -4.957 1.00 0.00 C ATOM 29 OE1 GLU A 1 8.628 -26.990 -5.680 1.00 0.00 O ATOM 30 OE2 GLU A 1 7.878 -28.968 -5.087 1.00 0.00 O ATOM 0 H GLU A 1 4.187 -24.406 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 1 6.270 -25.178 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.251 -26.335 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.682 -25.543 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.747 -26.707 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.449 -27.837 -3.413 1.00 0.00 H new ATOM 37 N LYS A 2 6.801 -22.529 -3.036 1.00 0.00 N ATOM 38 CA LYS A 2 7.647 -21.359 -3.244 1.00 0.00 C ATOM 39 C LYS A 2 7.749 -20.527 -1.968 1.00 0.00 C ATOM 40 O LYS A 2 7.567 -19.310 -1.992 1.00 0.00 O ATOM 41 CB LYS A 2 7.095 -20.503 -4.387 1.00 0.00 C ATOM 42 CG LYS A 2 8.174 -19.912 -5.280 1.00 0.00 C ATOM 43 CD LYS A 2 7.888 -18.456 -5.613 1.00 0.00 C ATOM 44 CE LYS A 2 8.143 -18.158 -7.082 1.00 0.00 C ATOM 45 NZ LYS A 2 7.237 -18.935 -7.971 1.00 0.00 N ATOM 0 H LYS A 2 6.057 -22.395 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 2 8.646 -21.704 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.425 -21.111 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.498 -19.693 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.141 -19.989 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.242 -20.490 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.852 -18.223 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.514 -17.811 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.006 -17.092 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.179 -18.392 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.099 -18.418 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.660 -19.864 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.318 -19.066 -7.501 1.00 0.00 H new ATOM 59 N ARG A 3 8.038 -21.193 -0.855 1.00 0.00 N ATOM 60 CA ARG A 3 8.163 -20.516 0.430 1.00 0.00 C ATOM 61 C ARG A 3 9.626 -20.412 0.853 1.00 0.00 C ATOM 62 O ARG A 3 10.491 -21.096 0.304 1.00 0.00 O ATOM 63 CB ARG A 3 7.361 -21.259 1.501 1.00 0.00 C ATOM 64 CG ARG A 3 5.963 -20.698 1.712 1.00 0.00 C ATOM 65 CD ARG A 3 4.904 -21.786 1.629 1.00 0.00 C ATOM 66 NE ARG A 3 3.679 -21.310 0.992 1.00 0.00 N ATOM 67 CZ ARG A 3 2.507 -21.938 1.074 1.00 0.00 C ATOM 68 NH1 ARG A 3 2.398 -23.066 1.765 1.00 0.00 N ATOM 69 NH2 ARG A 3 1.443 -21.436 0.463 1.00 0.00 N ATOM 0 H ARG A 3 8.190 -22.201 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 3 7.764 -19.507 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.284 -22.310 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.906 -21.219 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.909 -20.211 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.760 -19.934 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.298 -22.634 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.675 -22.146 2.632 1.00 0.00 H new ATOM 0 HE ARG A 3 3.723 -20.446 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.214 -23.456 2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.498 -23.543 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.522 -20.570 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.545 -21.916 0.525 1.00 0.00 H new ATOM 83 N PRO A 4 9.924 -19.550 1.842 1.00 0.00 N ATOM 84 CA PRO A 4 11.290 -19.360 2.339 1.00 0.00 C ATOM 85 C PRO A 4 11.778 -20.550 3.156 1.00 0.00 C ATOM 86 O PRO A 4 11.166 -21.617 3.137 1.00 0.00 O ATOM 87 CB PRO A 4 11.172 -18.118 3.221 1.00 0.00 C ATOM 88 CG PRO A 4 9.757 -18.117 3.683 1.00 0.00 C ATOM 89 CD PRO A 4 8.952 -18.697 2.552 1.00 0.00 C ATOM 0 HA PRO A 4 12.011 -19.258 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.863 -18.162 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.407 -17.212 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.642 -18.712 4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.425 -17.106 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.103 -19.274 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.552 -17.918 1.903 1.00 0.00 H new ATOM 97 N ARG A 5 12.883 -20.365 3.874 1.00 0.00 N ATOM 98 CA ARG A 5 13.438 -21.436 4.691 1.00 0.00 C ATOM 99 C ARG A 5 13.436 -21.070 6.166 1.00 0.00 C ATOM 100 O ARG A 5 14.302 -21.497 6.930 1.00 0.00 O ATOM 101 CB ARG A 5 14.854 -21.788 4.232 1.00 0.00 C ATOM 102 CG ARG A 5 14.902 -22.921 3.220 1.00 0.00 C ATOM 103 CD ARG A 5 15.998 -23.921 3.552 1.00 0.00 C ATOM 104 NE ARG A 5 15.881 -25.144 2.760 1.00 0.00 N ATOM 105 CZ ARG A 5 14.911 -26.043 2.922 1.00 0.00 C ATOM 106 NH1 ARG A 5 13.973 -25.858 3.844 1.00 0.00 N ATOM 107 NH2 ARG A 5 14.879 -27.127 2.160 1.00 0.00 N ATOM 0 H ARG A 5 13.407 -19.490 3.906 1.00 0.00 H new ATOM 0 HA ARG A 5 12.801 -22.311 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 5 15.316 -20.902 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.451 -22.063 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.939 -23.430 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.071 -22.513 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.972 -23.465 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.953 -24.170 4.612 1.00 0.00 H new ATOM 0 HE ARG A 5 16.583 -25.319 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.993 -25.025 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.233 -26.549 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.597 -27.273 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.137 -27.816 2.284 1.00 0.00 H new ATOM 121 N THR A 6 12.448 -20.284 6.557 1.00 0.00 N ATOM 122 CA THR A 6 12.309 -19.860 7.945 1.00 0.00 C ATOM 123 C THR A 6 10.904 -19.333 8.211 1.00 0.00 C ATOM 124 O THR A 6 10.276 -19.667 9.215 1.00 0.00 O ATOM 125 CB THR A 6 13.351 -18.786 8.276 1.00 0.00 C ATOM 126 OG1 THR A 6 13.509 -18.656 9.677 1.00 0.00 O ATOM 127 CG2 THR A 6 13.013 -17.418 7.721 1.00 0.00 C ATOM 0 H THR A 6 11.726 -19.924 5.933 1.00 0.00 H new ATOM 0 HA THR A 6 12.477 -20.725 8.587 1.00 0.00 H new ATOM 0 HB THR A 6 14.271 -19.128 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.179 -17.967 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.795 -16.711 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.939 -17.474 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.061 -17.083 8.133 1.00 0.00 H new ATOM 135 N ALA A 7 10.432 -18.500 7.292 1.00 0.00 N ATOM 136 CA ALA A 7 9.106 -17.886 7.377 1.00 0.00 C ATOM 137 C ALA A 7 9.041 -16.661 6.472 1.00 0.00 C ATOM 138 O ALA A 7 7.966 -16.243 6.041 1.00 0.00 O ATOM 139 CB ALA A 7 8.774 -17.495 8.813 1.00 0.00 C ATOM 0 H ALA A 7 10.958 -18.228 6.462 1.00 0.00 H new ATOM 0 HA ALA A 7 8.369 -18.617 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.783 -17.041 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.788 -18.383 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.513 -16.780 9.176 1.00 0.00 H new ATOM 145 N PHE A 8 10.211 -16.099 6.187 1.00 0.00 N ATOM 146 CA PHE A 8 10.333 -14.933 5.335 1.00 0.00 C ATOM 147 C PHE A 8 11.771 -14.815 4.844 1.00 0.00 C ATOM 148 O PHE A 8 12.670 -14.442 5.597 1.00 0.00 O ATOM 149 CB PHE A 8 9.905 -13.663 6.077 1.00 0.00 C ATOM 150 CG PHE A 8 10.221 -13.636 7.551 1.00 0.00 C ATOM 151 CD1 PHE A 8 11.270 -14.370 8.084 1.00 0.00 C ATOM 152 CD2 PHE A 8 9.459 -12.853 8.403 1.00 0.00 C ATOM 153 CE1 PHE A 8 11.549 -14.324 9.438 1.00 0.00 C ATOM 154 CE2 PHE A 8 9.735 -12.800 9.754 1.00 0.00 C ATOM 155 CZ PHE A 8 10.781 -13.537 10.273 1.00 0.00 C ATOM 0 H PHE A 8 11.102 -16.445 6.544 1.00 0.00 H new ATOM 0 HA PHE A 8 9.670 -15.049 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.386 -12.807 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 8 8.830 -13.534 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.876 -14.984 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.638 -12.276 8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.367 -14.903 9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.133 -12.183 10.405 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.998 -13.498 11.330 1.00 0.00 H new ATOM 165 N SER A 9 11.987 -15.167 3.583 1.00 0.00 N ATOM 166 CA SER A 9 13.326 -15.136 3.000 1.00 0.00 C ATOM 167 C SER A 9 13.734 -13.741 2.546 1.00 0.00 C ATOM 168 O SER A 9 14.367 -13.578 1.503 1.00 0.00 O ATOM 169 CB SER A 9 13.424 -16.117 1.832 1.00 0.00 C ATOM 170 OG SER A 9 13.716 -17.427 2.288 1.00 0.00 O ATOM 0 H SER A 9 11.255 -15.477 2.944 1.00 0.00 H new ATOM 0 HA SER A 9 14.019 -15.436 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.485 -16.122 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.200 -15.788 1.141 1.00 0.00 H new ATOM 0 HG SER A 9 13.929 -18.000 1.522 1.00 0.00 H new ATOM 176 N SER A 10 13.369 -12.747 3.345 1.00 0.00 N ATOM 177 CA SER A 10 13.688 -11.342 3.066 1.00 0.00 C ATOM 178 C SER A 10 12.620 -10.707 2.198 1.00 0.00 C ATOM 179 O SER A 10 12.363 -9.506 2.279 1.00 0.00 O ATOM 180 CB SER A 10 15.043 -11.216 2.370 1.00 0.00 C ATOM 181 OG SER A 10 15.569 -9.907 2.503 1.00 0.00 O ATOM 0 H SER A 10 12.842 -12.886 4.207 1.00 0.00 H new ATOM 0 HA SER A 10 13.729 -10.821 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.742 -11.936 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.936 -11.462 1.314 1.00 0.00 H new ATOM 0 HG SER A 10 16.436 -9.855 2.050 1.00 0.00 H new ATOM 187 N GLU A 11 11.995 -11.528 1.377 1.00 0.00 N ATOM 188 CA GLU A 11 10.939 -11.060 0.490 1.00 0.00 C ATOM 189 C GLU A 11 9.759 -10.564 1.310 1.00 0.00 C ATOM 190 O GLU A 11 9.011 -9.686 0.880 1.00 0.00 O ATOM 191 CB GLU A 11 10.495 -12.177 -0.455 1.00 0.00 C ATOM 192 CG GLU A 11 9.564 -11.705 -1.560 1.00 0.00 C ATOM 193 CD GLU A 11 10.289 -11.462 -2.869 1.00 0.00 C ATOM 194 OE1 GLU A 11 11.276 -12.177 -3.143 1.00 0.00 O ATOM 195 OE2 GLU A 11 9.871 -10.556 -3.620 1.00 0.00 O ATOM 0 H GLU A 11 12.198 -12.525 1.303 1.00 0.00 H new ATOM 0 HA GLU A 11 11.326 -10.237 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.377 -12.633 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.994 -12.953 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.783 -12.449 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.070 -10.785 -1.246 1.00 0.00 H new ATOM 202 N GLN A 12 9.612 -11.127 2.502 1.00 0.00 N ATOM 203 CA GLN A 12 8.540 -10.745 3.402 1.00 0.00 C ATOM 204 C GLN A 12 8.957 -9.531 4.226 1.00 0.00 C ATOM 205 O GLN A 12 8.191 -8.580 4.377 1.00 0.00 O ATOM 206 CB GLN A 12 8.183 -11.918 4.310 1.00 0.00 C ATOM 207 CG GLN A 12 6.756 -12.409 4.136 1.00 0.00 C ATOM 208 CD GLN A 12 5.795 -11.770 5.120 1.00 0.00 C ATOM 209 OE1 GLN A 12 4.988 -12.454 5.750 1.00 0.00 O ATOM 210 NE2 GLN A 12 5.877 -10.452 5.256 1.00 0.00 N ATOM 0 H GLN A 12 10.228 -11.854 2.867 1.00 0.00 H new ATOM 0 HA GLN A 12 7.659 -10.478 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.869 -12.742 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.332 -11.622 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.424 -12.197 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.731 -13.492 4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.561 -9.925 4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.256 -9.966 5.903 1.00 0.00 H new ATOM 219 N LEU A 13 10.190 -9.557 4.734 1.00 0.00 N ATOM 220 CA LEU A 13 10.712 -8.438 5.512 1.00 0.00 C ATOM 221 C LEU A 13 10.696 -7.181 4.656 1.00 0.00 C ATOM 222 O LEU A 13 10.329 -6.099 5.113 1.00 0.00 O ATOM 223 CB LEU A 13 12.147 -8.714 5.976 1.00 0.00 C ATOM 224 CG LEU A 13 12.337 -9.881 6.956 1.00 0.00 C ATOM 225 CD1 LEU A 13 11.018 -10.555 7.284 1.00 0.00 C ATOM 226 CD2 LEU A 13 13.311 -10.896 6.384 1.00 0.00 C ATOM 0 H LEU A 13 10.840 -10.335 4.621 1.00 0.00 H new ATOM 0 HA LEU A 13 10.082 -8.305 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.760 -8.905 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.534 -7.809 6.444 1.00 0.00 H new ATOM 0 HG LEU A 13 12.744 -9.473 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.192 -11.376 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.342 -9.831 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.571 -10.944 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.436 -11.718 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.922 -11.282 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.275 -10.417 6.210 1.00 0.00 H new ATOM 238 N ALA A 14 11.093 -7.351 3.398 1.00 0.00 N ATOM 239 CA ALA A 14 11.127 -6.253 2.443 1.00 0.00 C ATOM 240 C ALA A 14 9.716 -5.860 2.016 1.00 0.00 C ATOM 241 O ALA A 14 9.497 -4.767 1.494 1.00 0.00 O ATOM 242 CB ALA A 14 11.957 -6.644 1.228 1.00 0.00 C ATOM 0 H ALA A 14 11.397 -8.247 3.016 1.00 0.00 H new ATOM 0 HA ALA A 14 11.588 -5.391 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.977 -5.816 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.974 -6.877 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.515 -7.519 0.752 1.00 0.00 H new ATOM 248 N ARG A 15 8.764 -6.763 2.237 1.00 0.00 N ATOM 249 CA ARG A 15 7.374 -6.514 1.871 1.00 0.00 C ATOM 250 C ARG A 15 6.719 -5.520 2.826 1.00 0.00 C ATOM 251 O ARG A 15 6.104 -4.547 2.396 1.00 0.00 O ATOM 252 CB ARG A 15 6.586 -7.825 1.866 1.00 0.00 C ATOM 253 CG ARG A 15 5.602 -7.940 0.712 1.00 0.00 C ATOM 254 CD ARG A 15 4.302 -8.600 1.148 1.00 0.00 C ATOM 255 NE ARG A 15 4.020 -9.810 0.379 1.00 0.00 N ATOM 256 CZ ARG A 15 3.519 -9.804 -0.854 1.00 0.00 C ATOM 257 NH1 ARG A 15 3.247 -8.657 -1.462 1.00 0.00 N ATOM 258 NH2 ARG A 15 3.292 -10.950 -1.482 1.00 0.00 N ATOM 0 H ARG A 15 8.930 -7.673 2.667 1.00 0.00 H new ATOM 0 HA ARG A 15 7.364 -6.083 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.286 -8.660 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.042 -7.916 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.391 -6.948 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.052 -8.519 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.359 -8.849 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.479 -7.895 1.030 1.00 0.00 H new ATOM 0 HE ARG A 15 4.219 -10.712 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.422 -7.773 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.863 -8.659 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.501 -11.835 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.908 -10.946 -2.427 1.00 0.00 H new ATOM 272 N ALA A 16 6.855 -5.773 4.124 1.00 0.00 N ATOM 273 CA ALA A 16 6.271 -4.903 5.140 1.00 0.00 C ATOM 274 C ALA A 16 6.840 -3.488 5.073 1.00 0.00 C ATOM 275 O ALA A 16 6.290 -2.565 5.673 1.00 0.00 O ATOM 276 CB ALA A 16 6.490 -5.490 6.524 1.00 0.00 C ATOM 0 H ALA A 16 7.365 -6.574 4.498 1.00 0.00 H new ATOM 0 HA ALA A 16 5.201 -4.838 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.050 -4.831 7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.019 -6.471 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.559 -5.589 6.712 1.00 0.00 H new ATOM 282 N LYS A 17 7.938 -3.319 4.347 1.00 0.00 N ATOM 283 CA LYS A 17 8.570 -2.014 4.210 1.00 0.00 C ATOM 284 C LYS A 17 8.339 -1.451 2.814 1.00 0.00 C ATOM 285 O LYS A 17 8.117 -0.254 2.645 1.00 0.00 O ATOM 286 CB LYS A 17 10.071 -2.116 4.492 1.00 0.00 C ATOM 287 CG LYS A 17 10.783 -3.154 3.641 1.00 0.00 C ATOM 288 CD LYS A 17 12.294 -2.993 3.712 1.00 0.00 C ATOM 289 CE LYS A 17 12.923 -4.016 4.646 1.00 0.00 C ATOM 290 NZ LYS A 17 14.091 -4.696 4.020 1.00 0.00 N ATOM 0 H LYS A 17 8.409 -4.071 3.844 1.00 0.00 H new ATOM 0 HA LYS A 17 8.120 -1.338 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.531 -1.142 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.218 -2.359 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.506 -4.153 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.455 -3.064 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.719 -3.101 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.538 -1.988 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.240 -3.522 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.177 -4.760 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.491 -5.385 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.784 -5.189 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.815 -3.990 3.777 1.00 0.00 H new ATOM 304 N ARG A 18 8.396 -2.327 1.816 1.00 0.00 N ATOM 305 CA ARG A 18 8.198 -1.929 0.426 1.00 0.00 C ATOM 306 C ARG A 18 6.717 -1.766 0.100 1.00 0.00 C ATOM 307 O ARG A 18 6.341 -0.930 -0.723 1.00 0.00 O ATOM 308 CB ARG A 18 8.815 -2.970 -0.507 1.00 0.00 C ATOM 309 CG ARG A 18 8.943 -2.500 -1.947 1.00 0.00 C ATOM 310 CD ARG A 18 8.731 -3.644 -2.927 1.00 0.00 C ATOM 311 NE ARG A 18 9.798 -4.639 -2.846 1.00 0.00 N ATOM 312 CZ ARG A 18 9.724 -5.849 -3.395 1.00 0.00 C ATOM 313 NH1 ARG A 18 8.638 -6.218 -4.064 1.00 0.00 N ATOM 314 NH2 ARG A 18 10.739 -6.695 -3.276 1.00 0.00 N ATOM 0 H ARG A 18 8.579 -3.322 1.945 1.00 0.00 H new ATOM 0 HA ARG A 18 8.688 -0.966 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.803 -3.240 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.206 -3.874 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.213 -1.714 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.930 -2.064 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.773 -4.122 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.681 -3.248 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 18 10.648 -4.392 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.854 -5.573 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.588 -7.147 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.576 -6.418 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.682 -7.622 -3.697 1.00 0.00 H new ATOM 328 N GLU A 19 5.881 -2.572 0.744 1.00 0.00 N ATOM 329 CA GLU A 19 4.442 -2.521 0.519 1.00 0.00 C ATOM 330 C GLU A 19 3.897 -1.132 0.812 1.00 0.00 C ATOM 331 O GLU A 19 3.022 -0.637 0.101 1.00 0.00 O ATOM 332 CB GLU A 19 3.723 -3.556 1.387 1.00 0.00 C ATOM 333 CG GLU A 19 3.780 -4.968 0.826 1.00 0.00 C ATOM 334 CD GLU A 19 2.407 -5.592 0.671 1.00 0.00 C ATOM 335 OE1 GLU A 19 1.580 -5.444 1.596 1.00 0.00 O ATOM 336 OE2 GLU A 19 2.159 -6.227 -0.374 1.00 0.00 O ATOM 0 H GLU A 19 6.176 -3.270 1.427 1.00 0.00 H new ATOM 0 HA GLU A 19 4.259 -2.753 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.165 -3.552 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.680 -3.261 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.278 -4.949 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.386 -5.592 1.483 1.00 0.00 H new ATOM 343 N PHE A 20 4.412 -0.506 1.864 1.00 0.00 N ATOM 344 CA PHE A 20 3.959 0.829 2.235 1.00 0.00 C ATOM 345 C PHE A 20 4.863 1.909 1.644 1.00 0.00 C ATOM 346 O PHE A 20 4.383 2.961 1.230 1.00 0.00 O ATOM 347 CB PHE A 20 3.873 0.974 3.761 1.00 0.00 C ATOM 348 CG PHE A 20 5.185 1.279 4.430 1.00 0.00 C ATOM 349 CD1 PHE A 20 5.785 2.521 4.285 1.00 0.00 C ATOM 350 CD2 PHE A 20 5.810 0.322 5.208 1.00 0.00 C ATOM 351 CE1 PHE A 20 6.991 2.797 4.903 1.00 0.00 C ATOM 352 CE2 PHE A 20 7.013 0.593 5.829 1.00 0.00 C ATOM 353 CZ PHE A 20 7.605 1.830 5.677 1.00 0.00 C ATOM 0 H PHE A 20 5.135 -0.896 2.469 1.00 0.00 H new ATOM 0 HA PHE A 20 2.960 0.964 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.164 1.767 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.471 0.051 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.306 3.280 3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.352 -0.648 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.452 3.766 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.491 -0.163 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.546 2.042 6.162 1.00 0.00 H new ATOM 363 N ASN A 21 6.171 1.649 1.612 1.00 0.00 N ATOM 364 CA ASN A 21 7.133 2.613 1.074 1.00 0.00 C ATOM 365 C ASN A 21 6.638 3.208 -0.239 1.00 0.00 C ATOM 366 O ASN A 21 6.786 4.404 -0.486 1.00 0.00 O ATOM 367 CB ASN A 21 8.498 1.956 0.858 1.00 0.00 C ATOM 368 CG ASN A 21 9.503 2.354 1.921 1.00 0.00 C ATOM 369 OD1 ASN A 21 9.727 3.538 2.168 1.00 0.00 O ATOM 370 ND2 ASN A 21 10.114 1.363 2.557 1.00 0.00 N ATOM 0 H ASN A 21 6.588 0.782 1.951 1.00 0.00 H new ATOM 0 HA ASN A 21 7.236 3.415 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.381 0.872 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.881 2.234 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.800 1.569 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.898 0.395 2.320 1.00 0.00 H new ATOM 377 N GLU A 22 6.042 2.365 -1.071 1.00 0.00 N ATOM 378 CA GLU A 22 5.517 2.806 -2.355 1.00 0.00 C ATOM 379 C GLU A 22 4.137 3.436 -2.184 1.00 0.00 C ATOM 380 O GLU A 22 3.704 4.239 -3.009 1.00 0.00 O ATOM 381 CB GLU A 22 5.436 1.629 -3.327 1.00 0.00 C ATOM 382 CG GLU A 22 5.154 2.044 -4.762 1.00 0.00 C ATOM 383 CD GLU A 22 4.774 0.870 -5.645 1.00 0.00 C ATOM 384 OE1 GLU A 22 4.263 -0.136 -5.109 1.00 0.00 O ATOM 385 OE2 GLU A 22 4.988 0.957 -6.872 1.00 0.00 O ATOM 0 H GLU A 22 5.910 1.372 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 22 6.195 3.556 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.375 1.077 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.654 0.947 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.348 2.778 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.036 2.534 -5.175 1.00 0.00 H new ATOM 392 N ASN A 23 3.450 3.052 -1.108 1.00 0.00 N ATOM 393 CA ASN A 23 2.114 3.562 -0.818 1.00 0.00 C ATOM 394 C ASN A 23 2.142 4.472 0.405 1.00 0.00 C ATOM 395 O ASN A 23 1.201 4.494 1.199 1.00 0.00 O ATOM 396 CB ASN A 23 1.148 2.400 -0.574 1.00 0.00 C ATOM 397 CG ASN A 23 0.646 1.777 -1.864 1.00 0.00 C ATOM 398 OD1 ASN A 23 -0.487 1.300 -1.935 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.487 1.779 -2.891 1.00 0.00 N ATOM 0 H ASN A 23 3.801 2.385 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 23 1.773 4.139 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.647 1.637 0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.298 2.755 0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.203 1.374 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.417 2.185 -2.788 1.00 0.00 H new ATOM 406 N ARG A 24 3.245 5.193 0.569 1.00 0.00 N ATOM 407 CA ARG A 24 3.420 6.074 1.720 1.00 0.00 C ATOM 408 C ARG A 24 3.783 7.501 1.309 1.00 0.00 C ATOM 409 O ARG A 24 3.391 8.466 1.966 1.00 0.00 O ATOM 410 CB ARG A 24 4.522 5.483 2.613 1.00 0.00 C ATOM 411 CG ARG A 24 5.529 6.491 3.155 1.00 0.00 C ATOM 412 CD ARG A 24 4.947 7.306 4.298 1.00 0.00 C ATOM 413 NE ARG A 24 5.877 8.330 4.770 1.00 0.00 N ATOM 414 CZ ARG A 24 5.804 8.901 5.970 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.845 8.556 6.821 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.691 9.822 6.320 1.00 0.00 N ATOM 0 H ARG A 24 4.032 5.186 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 24 2.475 6.136 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.052 4.975 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.061 4.725 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.420 5.966 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.842 7.160 2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.022 7.780 3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.690 6.641 5.123 1.00 0.00 H new ATOM 0 HE ARG A 24 6.626 8.624 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.159 7.849 6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.795 8.998 7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.429 10.093 5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.636 10.260 7.239 1.00 0.00 H new ATOM 430 N TYR A 25 4.558 7.622 0.246 1.00 0.00 N ATOM 431 CA TYR A 25 5.010 8.931 -0.229 1.00 0.00 C ATOM 432 C TYR A 25 4.201 9.394 -1.439 1.00 0.00 C ATOM 433 O TYR A 25 3.935 10.583 -1.601 1.00 0.00 O ATOM 434 CB TYR A 25 6.486 8.860 -0.608 1.00 0.00 C ATOM 435 CG TYR A 25 6.673 8.208 -1.946 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.346 6.876 -2.120 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.114 8.932 -3.039 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.459 6.274 -3.346 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.228 8.341 -4.280 1.00 0.00 C ATOM 440 CZ TYR A 25 6.898 7.008 -4.430 1.00 0.00 C ATOM 441 OH TYR A 25 7.010 6.408 -5.664 1.00 0.00 O ATOM 0 H TYR A 25 4.891 6.834 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 25 4.865 9.649 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.907 9.865 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.032 8.301 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.996 6.300 -1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.372 9.974 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.206 5.231 -3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.572 8.915 -5.127 1.00 0.00 H new ATOM 0 HH TYR A 25 7.331 7.063 -6.318 1.00 0.00 H new ATOM 451 N LEU A 26 3.811 8.439 -2.283 1.00 0.00 N ATOM 452 CA LEU A 26 3.025 8.736 -3.481 1.00 0.00 C ATOM 453 C LEU A 26 1.750 9.502 -3.126 1.00 0.00 C ATOM 454 O LEU A 26 1.046 10.006 -4.000 1.00 0.00 O ATOM 455 CB LEU A 26 2.669 7.432 -4.203 1.00 0.00 C ATOM 456 CG LEU A 26 1.570 6.594 -3.539 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.450 5.238 -4.219 1.00 0.00 C ATOM 458 CD2 LEU A 26 1.847 6.422 -2.050 1.00 0.00 C ATOM 0 H LEU A 26 4.027 7.450 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 26 3.626 9.364 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.356 7.672 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.569 6.823 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 26 0.623 7.122 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.665 4.656 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.201 5.379 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.398 4.706 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.055 5.824 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.804 5.918 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.881 7.400 -1.571 1.00 0.00 H new ATOM 470 N THR A 27 1.471 9.577 -1.833 1.00 0.00 N ATOM 471 CA THR A 27 0.306 10.264 -1.313 1.00 0.00 C ATOM 472 C THR A 27 0.623 11.748 -1.109 1.00 0.00 C ATOM 473 O THR A 27 -0.275 12.581 -0.986 1.00 0.00 O ATOM 474 CB THR A 27 -0.113 9.599 0.005 1.00 0.00 C ATOM 475 OG1 THR A 27 0.429 10.287 1.119 1.00 0.00 O ATOM 476 CG2 THR A 27 0.333 8.147 0.100 1.00 0.00 C ATOM 0 H THR A 27 2.056 9.157 -1.110 1.00 0.00 H new ATOM 0 HA THR A 27 -0.520 10.195 -2.021 1.00 0.00 H new ATOM 0 HB THR A 27 -1.202 9.639 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.146 9.844 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.009 7.728 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.110 7.576 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.420 8.095 0.032 1.00 0.00 H new ATOM 484 N GLU A 28 1.919 12.058 -1.091 1.00 0.00 N ATOM 485 CA GLU A 28 2.397 13.423 -0.924 1.00 0.00 C ATOM 486 C GLU A 28 3.596 13.679 -1.841 1.00 0.00 C ATOM 487 O GLU A 28 4.355 14.626 -1.636 1.00 0.00 O ATOM 488 CB GLU A 28 2.797 13.668 0.531 1.00 0.00 C ATOM 489 CG GLU A 28 2.834 15.139 0.914 1.00 0.00 C ATOM 490 CD GLU A 28 3.093 15.349 2.393 1.00 0.00 C ATOM 491 OE1 GLU A 28 3.757 14.488 3.008 1.00 0.00 O ATOM 492 OE2 GLU A 28 2.632 16.374 2.937 1.00 0.00 O ATOM 0 H GLU A 28 2.663 11.368 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 28 1.592 14.108 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.095 13.149 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.780 13.231 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.611 15.641 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.886 15.605 0.645 1.00 0.00 H new ATOM 499 N ARG A 29 3.761 12.821 -2.847 1.00 0.00 N ATOM 500 CA ARG A 29 4.866 12.939 -3.792 1.00 0.00 C ATOM 501 C ARG A 29 4.354 12.938 -5.227 1.00 0.00 C ATOM 502 O ARG A 29 4.668 13.835 -6.010 1.00 0.00 O ATOM 503 CB ARG A 29 5.854 11.789 -3.595 1.00 0.00 C ATOM 504 CG ARG A 29 7.083 11.886 -4.484 1.00 0.00 C ATOM 505 CD ARG A 29 8.222 12.605 -3.780 1.00 0.00 C ATOM 506 NE ARG A 29 9.412 12.699 -4.621 1.00 0.00 N ATOM 507 CZ ARG A 29 10.223 11.675 -4.877 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.974 10.478 -4.362 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.284 11.849 -5.653 1.00 0.00 N ATOM 0 H ARG A 29 3.139 12.033 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 29 5.374 13.885 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.171 11.767 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.345 10.846 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.405 10.885 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.829 12.416 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.898 13.606 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.470 12.077 -2.859 1.00 0.00 H new ATOM 0 HE ARG A 29 9.635 13.603 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.158 10.339 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.599 9.697 -4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.478 12.767 -6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.906 11.065 -5.850 1.00 0.00 H new ATOM 523 N ARG A 30 3.564 11.924 -5.566 1.00 0.00 N ATOM 524 CA ARG A 30 3.009 11.806 -6.909 1.00 0.00 C ATOM 525 C ARG A 30 1.481 11.767 -6.881 1.00 0.00 C ATOM 526 O ARG A 30 0.841 11.601 -7.919 1.00 0.00 O ATOM 527 CB ARG A 30 3.549 10.551 -7.598 1.00 0.00 C ATOM 528 CG ARG A 30 3.101 9.256 -6.941 1.00 0.00 C ATOM 529 CD ARG A 30 1.925 8.635 -7.676 1.00 0.00 C ATOM 530 NE ARG A 30 2.323 8.050 -8.954 1.00 0.00 N ATOM 531 CZ ARG A 30 2.921 6.867 -9.072 1.00 0.00 C ATOM 532 NH1 ARG A 30 3.193 6.142 -7.994 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.249 6.408 -10.272 1.00 0.00 N ATOM 0 H ARG A 30 3.294 11.174 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 30 3.315 12.687 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.226 10.551 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.638 10.589 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.932 8.551 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.822 9.450 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.473 7.865 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.163 9.395 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 30 2.132 8.579 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.943 6.491 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.651 5.236 -8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.043 6.962 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.707 5.501 -10.363 1.00 0.00 H new ATOM 547 N ARG A 31 0.895 11.925 -5.694 1.00 0.00 N ATOM 548 CA ARG A 31 -0.558 11.911 -5.560 1.00 0.00 C ATOM 549 C ARG A 31 -1.183 12.955 -6.475 1.00 0.00 C ATOM 550 O ARG A 31 -2.225 12.722 -7.085 1.00 0.00 O ATOM 551 CB ARG A 31 -0.967 12.173 -4.110 1.00 0.00 C ATOM 552 CG ARG A 31 -2.298 11.540 -3.729 1.00 0.00 C ATOM 553 CD ARG A 31 -3.302 12.577 -3.247 1.00 0.00 C ATOM 554 NE ARG A 31 -3.594 12.435 -1.823 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.327 13.301 -1.125 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.843 14.372 -1.717 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.545 13.095 0.166 1.00 0.00 N ATOM 0 H ARG A 31 1.401 12.063 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.920 10.925 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.190 11.792 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.026 13.249 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.708 11.010 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.137 10.799 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.912 13.576 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.225 12.480 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.214 11.625 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.679 14.534 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.404 15.032 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.151 12.273 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.106 13.758 0.701 1.00 0.00 H new ATOM 571 N GLN A 32 -0.524 14.103 -6.572 1.00 0.00 N ATOM 572 CA GLN A 32 -1.001 15.185 -7.426 1.00 0.00 C ATOM 573 C GLN A 32 -0.801 14.826 -8.893 1.00 0.00 C ATOM 574 O GLN A 32 -1.710 14.983 -9.710 1.00 0.00 O ATOM 575 CB GLN A 32 -0.269 16.488 -7.097 1.00 0.00 C ATOM 576 CG GLN A 32 -0.712 17.120 -5.787 1.00 0.00 C ATOM 577 CD GLN A 32 0.216 16.783 -4.637 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.354 17.250 -4.584 1.00 0.00 O ATOM 579 NE2 GLN A 32 -0.267 15.967 -3.707 1.00 0.00 N ATOM 0 H GLN A 32 0.340 14.309 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.066 15.328 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.802 16.292 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.429 17.200 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.758 18.202 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.720 16.782 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.216 15.603 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.311 15.704 -2.909 1.00 0.00 H new ATOM 588 N GLN A 33 0.389 14.326 -9.220 1.00 0.00 N ATOM 589 CA GLN A 33 0.697 13.925 -10.589 1.00 0.00 C ATOM 590 C GLN A 33 -0.319 12.896 -11.070 1.00 0.00 C ATOM 591 O GLN A 33 -0.667 12.845 -12.249 1.00 0.00 O ATOM 592 CB GLN A 33 2.122 13.353 -10.668 1.00 0.00 C ATOM 593 CG GLN A 33 2.197 11.832 -10.698 1.00 0.00 C ATOM 594 CD GLN A 33 1.971 11.264 -12.085 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.626 11.666 -13.047 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.040 10.324 -12.196 1.00 0.00 N ATOM 0 H GLN A 33 1.153 14.190 -8.558 1.00 0.00 H new ATOM 0 HA GLN A 33 0.641 14.800 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.607 13.745 -11.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.692 13.714 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.173 11.513 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.452 11.422 -10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.521 10.021 -11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.844 9.905 -13.105 1.00 0.00 H new ATOM 605 N LEU A 34 -0.787 12.083 -10.131 1.00 0.00 N ATOM 606 CA LEU A 34 -1.763 11.050 -10.423 1.00 0.00 C ATOM 607 C LEU A 34 -3.099 11.666 -10.804 1.00 0.00 C ATOM 608 O LEU A 34 -3.644 11.388 -11.871 1.00 0.00 O ATOM 609 CB LEU A 34 -1.943 10.158 -9.200 1.00 0.00 C ATOM 610 CG LEU A 34 -1.192 8.837 -9.257 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.212 8.163 -7.893 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.803 7.946 -10.327 1.00 0.00 C ATOM 0 H LEU A 34 -0.501 12.123 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.401 10.456 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.617 10.707 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.005 9.950 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.150 9.021 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.671 7.218 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.736 8.813 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.244 7.974 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.262 7.000 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.850 7.756 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.736 8.442 -11.295 1.00 0.00 H new ATOM 624 N SER A 35 -3.617 12.500 -9.916 1.00 0.00 N ATOM 625 CA SER A 35 -4.892 13.159 -10.144 1.00 0.00 C ATOM 626 C SER A 35 -4.851 14.009 -11.414 1.00 0.00 C ATOM 627 O SER A 35 -5.890 14.332 -11.988 1.00 0.00 O ATOM 628 CB SER A 35 -5.254 14.031 -8.938 1.00 0.00 C ATOM 629 OG SER A 35 -6.197 15.029 -9.290 1.00 0.00 O ATOM 0 H SER A 35 -3.172 12.737 -9.029 1.00 0.00 H new ATOM 0 HA SER A 35 -5.655 12.391 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.662 13.406 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.354 14.501 -8.543 1.00 0.00 H new ATOM 0 HG SER A 35 -6.411 15.570 -8.501 1.00 0.00 H new ATOM 635 N SER A 36 -3.645 14.373 -11.844 1.00 0.00 N ATOM 636 CA SER A 36 -3.473 15.192 -13.041 1.00 0.00 C ATOM 637 C SER A 36 -3.206 14.332 -14.277 1.00 0.00 C ATOM 638 O SER A 36 -3.293 14.817 -15.405 1.00 0.00 O ATOM 639 CB SER A 36 -2.328 16.186 -12.841 1.00 0.00 C ATOM 640 OG SER A 36 -2.321 17.168 -13.861 1.00 0.00 O ATOM 0 H SER A 36 -2.773 14.114 -11.382 1.00 0.00 H new ATOM 0 HA SER A 36 -4.402 15.738 -13.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.427 16.668 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.377 15.654 -12.838 1.00 0.00 H new ATOM 0 HG SER A 36 -2.608 16.764 -14.706 1.00 0.00 H new ATOM 646 N GLU A 37 -2.882 13.059 -14.065 1.00 0.00 N ATOM 647 CA GLU A 37 -2.610 12.149 -15.172 1.00 0.00 C ATOM 648 C GLU A 37 -3.769 11.178 -15.362 1.00 0.00 C ATOM 649 O GLU A 37 -4.030 10.711 -16.471 1.00 0.00 O ATOM 650 CB GLU A 37 -1.313 11.378 -14.923 1.00 0.00 C ATOM 651 CG GLU A 37 -0.096 12.001 -15.588 1.00 0.00 C ATOM 652 CD GLU A 37 0.580 11.063 -16.570 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.767 9.877 -16.226 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.920 11.514 -17.684 1.00 0.00 O ATOM 0 H GLU A 37 -2.802 12.636 -13.140 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.497 12.739 -16.081 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.138 11.316 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.432 10.357 -15.286 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.397 12.910 -16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.621 12.296 -14.821 1.00 0.00 H new ATOM 661 N LEU A 38 -4.463 10.884 -14.269 1.00 0.00 N ATOM 662 CA LEU A 38 -5.599 9.975 -14.302 1.00 0.00 C ATOM 663 C LEU A 38 -6.839 10.680 -14.837 1.00 0.00 C ATOM 664 O LEU A 38 -7.434 10.256 -15.827 1.00 0.00 O ATOM 665 CB LEU A 38 -5.892 9.446 -12.897 1.00 0.00 C ATOM 666 CG LEU A 38 -5.215 8.126 -12.535 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.666 7.022 -13.475 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.706 8.274 -12.566 1.00 0.00 C ATOM 0 H LEU A 38 -4.256 11.265 -13.345 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.347 9.145 -14.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.586 10.201 -12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.970 9.322 -12.792 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.510 7.854 -11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.174 6.088 -13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.746 6.898 -13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.402 7.286 -14.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.242 7.323 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.390 8.570 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.400 9.036 -11.849 1.00 0.00 H new ATOM 680 N GLY A 39 -7.226 11.751 -14.155 1.00 0.00 N ATOM 681 CA GLY A 39 -8.401 12.502 -14.546 1.00 0.00 C ATOM 682 C GLY A 39 -9.537 12.328 -13.555 1.00 0.00 C ATOM 683 O GLY A 39 -10.689 12.638 -13.859 1.00 0.00 O ATOM 0 H GLY A 39 -6.743 12.114 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.147 13.559 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.728 12.177 -15.534 1.00 0.00 H new ATOM 687 N LEU A 40 -9.208 11.825 -12.365 1.00 0.00 N ATOM 688 CA LEU A 40 -10.205 11.605 -11.325 1.00 0.00 C ATOM 689 C LEU A 40 -10.060 12.612 -10.198 1.00 0.00 C ATOM 690 O LEU A 40 -9.422 13.654 -10.353 1.00 0.00 O ATOM 691 CB LEU A 40 -10.110 10.184 -10.757 1.00 0.00 C ATOM 692 CG LEU A 40 -8.981 9.312 -11.285 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.685 9.596 -10.536 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.378 7.868 -11.120 1.00 0.00 C ATOM 0 H LEU A 40 -8.258 11.563 -12.100 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.183 11.736 -11.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.006 10.256 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.054 9.675 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.809 9.533 -12.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.891 8.962 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.411 10.643 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.824 9.387 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.580 7.226 -11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.550 7.656 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.292 7.675 -11.682 1.00 0.00 H new ATOM 706 N ASN A 41 -10.663 12.288 -9.062 1.00 0.00 N ATOM 707 CA ASN A 41 -10.612 13.161 -7.899 1.00 0.00 C ATOM 708 C ASN A 41 -9.521 12.726 -6.926 1.00 0.00 C ATOM 709 O ASN A 41 -9.244 11.538 -6.785 1.00 0.00 O ATOM 710 CB ASN A 41 -11.969 13.191 -7.194 1.00 0.00 C ATOM 711 CG ASN A 41 -12.564 14.586 -7.144 1.00 0.00 C ATOM 712 OD1 ASN A 41 -13.039 15.107 -8.154 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.542 15.197 -5.966 1.00 0.00 N ATOM 0 H ASN A 41 -11.193 11.428 -8.922 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.372 14.166 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.659 12.523 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.857 12.810 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.929 16.136 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.138 14.727 -5.155 1.00 0.00 H new ATOM 720 N GLU A 42 -8.909 13.698 -6.247 1.00 0.00 N ATOM 721 CA GLU A 42 -7.853 13.409 -5.278 1.00 0.00 C ATOM 722 C GLU A 42 -8.336 12.364 -4.281 1.00 0.00 C ATOM 723 O GLU A 42 -7.584 11.483 -3.866 1.00 0.00 O ATOM 724 CB GLU A 42 -7.435 14.684 -4.543 1.00 0.00 C ATOM 725 CG GLU A 42 -6.998 15.804 -5.473 1.00 0.00 C ATOM 726 CD GLU A 42 -7.408 17.173 -4.968 1.00 0.00 C ATOM 727 OE1 GLU A 42 -8.560 17.581 -5.228 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.578 17.838 -4.313 1.00 0.00 O ATOM 0 H GLU A 42 -9.126 14.689 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.987 13.019 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.269 15.033 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.618 14.449 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.915 15.773 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.429 15.641 -6.461 1.00 0.00 H new ATOM 735 N ALA A 43 -9.612 12.456 -3.932 1.00 0.00 N ATOM 736 CA ALA A 43 -10.229 11.506 -3.017 1.00 0.00 C ATOM 737 C ALA A 43 -10.485 10.205 -3.751 1.00 0.00 C ATOM 738 O ALA A 43 -10.396 9.115 -3.187 1.00 0.00 O ATOM 739 CB ALA A 43 -11.543 12.054 -2.499 1.00 0.00 C ATOM 0 H ALA A 43 -10.242 13.183 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.559 11.336 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.994 11.334 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.364 12.991 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.218 12.232 -3.336 1.00 0.00 H new ATOM 745 N GLN A 44 -10.797 10.353 -5.028 1.00 0.00 N ATOM 746 CA GLN A 44 -11.071 9.245 -5.901 1.00 0.00 C ATOM 747 C GLN A 44 -9.762 8.553 -6.288 1.00 0.00 C ATOM 748 O GLN A 44 -9.762 7.425 -6.778 1.00 0.00 O ATOM 749 CB GLN A 44 -11.830 9.769 -7.122 1.00 0.00 C ATOM 750 CG GLN A 44 -13.048 8.939 -7.484 1.00 0.00 C ATOM 751 CD GLN A 44 -12.678 7.638 -8.158 1.00 0.00 C ATOM 752 OE1 GLN A 44 -13.496 6.725 -8.272 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.436 7.549 -8.612 1.00 0.00 N ATOM 0 H GLN A 44 -10.866 11.262 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.691 8.500 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.144 10.795 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.153 9.796 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.622 8.727 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.695 9.516 -8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.793 8.332 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.123 6.698 -9.079 1.00 0.00 H new ATOM 762 N ILE A 45 -8.641 9.221 -6.019 1.00 0.00 N ATOM 763 CA ILE A 45 -7.333 8.647 -6.290 1.00 0.00 C ATOM 764 C ILE A 45 -7.148 7.449 -5.386 1.00 0.00 C ATOM 765 O ILE A 45 -6.952 6.328 -5.852 1.00 0.00 O ATOM 766 CB ILE A 45 -6.201 9.677 -6.057 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.219 10.742 -7.160 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.837 8.995 -5.983 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.395 10.385 -8.381 1.00 0.00 C ATOM 0 H ILE A 45 -8.617 10.157 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.281 8.347 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.377 10.164 -5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.250 10.912 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.850 11.682 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.064 9.745 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.831 8.281 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.641 8.471 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.461 11.190 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.354 10.244 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.776 9.463 -8.820 1.00 0.00 H new ATOM 781 N LYS A 46 -7.266 7.691 -4.084 1.00 0.00 N ATOM 782 CA LYS A 46 -7.162 6.627 -3.100 1.00 0.00 C ATOM 783 C LYS A 46 -8.153 5.513 -3.430 1.00 0.00 C ATOM 784 O LYS A 46 -8.030 4.388 -2.943 1.00 0.00 O ATOM 785 CB LYS A 46 -7.440 7.174 -1.700 1.00 0.00 C ATOM 786 CG LYS A 46 -6.453 8.243 -1.258 1.00 0.00 C ATOM 787 CD LYS A 46 -6.921 8.948 0.005 1.00 0.00 C ATOM 788 CE LYS A 46 -8.022 9.952 -0.293 1.00 0.00 C ATOM 789 NZ LYS A 46 -8.843 10.252 0.913 1.00 0.00 N ATOM 0 H LYS A 46 -7.434 8.616 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.150 6.223 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.448 7.589 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.416 6.351 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.478 7.789 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.325 8.973 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.284 8.211 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.078 9.458 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.580 10.874 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.665 9.562 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.582 10.941 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.286 9.377 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.234 10.648 1.657 1.00 0.00 H new ATOM 803 N ILE A 47 -9.156 5.848 -4.248 1.00 0.00 N ATOM 804 CA ILE A 47 -10.191 4.901 -4.633 1.00 0.00 C ATOM 805 C ILE A 47 -9.733 3.884 -5.679 1.00 0.00 C ATOM 806 O ILE A 47 -10.032 2.696 -5.551 1.00 0.00 O ATOM 807 CB ILE A 47 -11.434 5.655 -5.163 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.445 5.849 -4.041 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.068 4.945 -6.353 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.020 6.919 -3.067 1.00 0.00 C ATOM 0 H ILE A 47 -9.267 6.776 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.437 4.341 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.106 6.633 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.412 6.113 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.578 4.908 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.937 5.509 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.342 4.874 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.379 3.944 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.773 7.020 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.066 6.644 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.913 7.868 -3.593 1.00 0.00 H new ATOM 822 N TRP A 48 -9.056 4.333 -6.735 1.00 0.00 N ATOM 823 CA TRP A 48 -8.652 3.400 -7.780 1.00 0.00 C ATOM 824 C TRP A 48 -7.587 2.414 -7.308 1.00 0.00 C ATOM 825 O TRP A 48 -7.545 1.284 -7.799 1.00 0.00 O ATOM 826 CB TRP A 48 -8.238 4.104 -9.078 1.00 0.00 C ATOM 827 CG TRP A 48 -7.355 5.302 -8.925 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.736 6.605 -8.867 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.936 5.303 -8.864 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.636 7.411 -8.775 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.516 6.633 -8.764 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.990 4.302 -8.880 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.175 6.981 -8.683 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.658 4.634 -8.800 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.260 5.966 -8.703 1.00 0.00 C ATOM 0 H TRP A 48 -8.784 5.304 -6.886 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.543 2.816 -8.012 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.727 3.380 -9.713 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.142 4.409 -9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.758 6.953 -8.890 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.650 8.430 -8.723 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.291 3.268 -8.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.867 8.013 -8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.912 3.853 -8.812 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.208 6.201 -8.642 1.00 0.00 H new ATOM 846 N PHE A 49 -6.754 2.792 -6.335 1.00 0.00 N ATOM 847 CA PHE A 49 -5.759 1.840 -5.830 1.00 0.00 C ATOM 848 C PHE A 49 -6.494 0.676 -5.194 1.00 0.00 C ATOM 849 O PHE A 49 -6.139 -0.485 -5.393 1.00 0.00 O ATOM 850 CB PHE A 49 -4.813 2.440 -4.787 1.00 0.00 C ATOM 851 CG PHE A 49 -4.286 3.792 -5.112 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.111 3.948 -5.821 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.958 4.907 -4.682 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.621 5.206 -6.097 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.481 6.165 -4.951 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.309 6.322 -5.661 1.00 0.00 C ATOM 0 H PHE A 49 -6.744 3.712 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.148 1.533 -6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.337 2.492 -3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.970 1.762 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.572 3.077 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.876 4.794 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.702 5.319 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.024 7.033 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.931 7.311 -5.875 1.00 0.00 H new ATOM 866 N GLN A 50 -7.541 1.004 -4.436 1.00 0.00 N ATOM 867 CA GLN A 50 -8.348 -0.018 -3.780 1.00 0.00 C ATOM 868 C GLN A 50 -8.887 -0.989 -4.818 1.00 0.00 C ATOM 869 O GLN A 50 -9.028 -2.184 -4.560 1.00 0.00 O ATOM 870 CB GLN A 50 -9.511 0.612 -3.006 1.00 0.00 C ATOM 871 CG GLN A 50 -9.169 1.943 -2.358 1.00 0.00 C ATOM 872 CD GLN A 50 -9.740 2.077 -0.961 1.00 0.00 C ATOM 873 OE1 GLN A 50 -9.674 1.146 -0.159 1.00 0.00 O ATOM 874 NE2 GLN A 50 -10.305 3.241 -0.661 1.00 0.00 N ATOM 0 H GLN A 50 -7.846 1.962 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.716 -0.552 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.352 0.755 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.840 -0.083 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.085 2.054 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.548 2.754 -2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.338 3.986 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.706 3.390 0.265 1.00 0.00 H new ATOM 883 N ASN A 51 -9.168 -0.460 -6.004 1.00 0.00 N ATOM 884 CA ASN A 51 -9.674 -1.268 -7.099 1.00 0.00 C ATOM 885 C ASN A 51 -8.520 -1.952 -7.823 1.00 0.00 C ATOM 886 O ASN A 51 -8.675 -3.043 -8.371 1.00 0.00 O ATOM 887 CB ASN A 51 -10.471 -0.404 -8.078 1.00 0.00 C ATOM 888 CG ASN A 51 -11.911 -0.219 -7.645 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.754 -1.091 -7.858 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.203 0.923 -7.031 1.00 0.00 N ATOM 0 H ASN A 51 -9.052 0.528 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.337 -2.031 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.994 0.572 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.448 -0.864 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.156 1.104 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.474 1.619 -6.875 1.00 0.00 H new ATOM 897 N LYS A 52 -7.355 -1.303 -7.814 1.00 0.00 N ATOM 898 CA LYS A 52 -6.172 -1.853 -8.463 1.00 0.00 C ATOM 899 C LYS A 52 -5.622 -3.034 -7.670 1.00 0.00 C ATOM 900 O LYS A 52 -4.987 -3.928 -8.229 1.00 0.00 O ATOM 901 CB LYS A 52 -5.096 -0.776 -8.609 1.00 0.00 C ATOM 902 CG LYS A 52 -4.297 -0.885 -9.897 1.00 0.00 C ATOM 903 CD LYS A 52 -5.111 -0.428 -11.097 1.00 0.00 C ATOM 904 CE LYS A 52 -4.562 -1.001 -12.395 1.00 0.00 C ATOM 905 NZ LYS A 52 -3.849 0.030 -13.199 1.00 0.00 N ATOM 0 H LYS A 52 -7.209 -0.399 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.460 -2.203 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.568 0.206 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.414 -0.839 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.393 -0.281 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.979 -1.917 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.149 -0.736 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.106 0.661 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.880 -1.821 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.380 -1.418 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.490 -0.400 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.506 0.801 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.053 0.410 -12.648 1.00 0.00 H new ATOM 919 N ARG A 53 -5.871 -3.033 -6.363 1.00 0.00 N ATOM 920 CA ARG A 53 -5.402 -4.107 -5.495 1.00 0.00 C ATOM 921 C ARG A 53 -6.541 -5.063 -5.148 1.00 0.00 C ATOM 922 O ARG A 53 -6.522 -5.712 -4.102 1.00 0.00 O ATOM 923 CB ARG A 53 -4.797 -3.525 -4.214 1.00 0.00 C ATOM 924 CG ARG A 53 -3.305 -3.785 -4.075 1.00 0.00 C ATOM 925 CD ARG A 53 -3.017 -4.882 -3.061 1.00 0.00 C ATOM 926 NE ARG A 53 -2.289 -4.377 -1.899 1.00 0.00 N ATOM 927 CZ ARG A 53 -2.214 -5.016 -0.735 1.00 0.00 C ATOM 928 NH1 ARG A 53 -2.821 -6.186 -0.572 1.00 0.00 N ATOM 929 NH2 ARG A 53 -1.531 -4.486 0.270 1.00 0.00 N ATOM 0 H ARG A 53 -6.394 -2.301 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.635 -4.667 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.974 -2.450 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.313 -3.949 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.893 -4.068 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.802 -2.867 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.956 -5.329 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.436 -5.672 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.810 -3.481 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.348 -6.599 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.760 -6.672 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.063 -3.588 0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.474 -4.976 1.163 1.00 0.00 H new ATOM 943 N ALA A 54 -7.529 -5.146 -6.033 1.00 0.00 N ATOM 944 CA ALA A 54 -8.674 -6.022 -5.820 1.00 0.00 C ATOM 945 C ALA A 54 -8.259 -7.488 -5.866 1.00 0.00 C ATOM 946 O ALA A 54 -8.796 -8.319 -5.134 1.00 0.00 O ATOM 947 CB ALA A 54 -9.750 -5.744 -6.859 1.00 0.00 C ATOM 0 H ALA A 54 -7.559 -4.617 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.079 -5.817 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.600 -6.405 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.075 -4.707 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.347 -5.921 -7.856 1.00 0.00 H new ATOM 953 N LYS A 55 -7.297 -7.799 -6.730 1.00 0.00 N ATOM 954 CA LYS A 55 -6.810 -9.166 -6.871 1.00 0.00 C ATOM 955 C LYS A 55 -5.858 -9.524 -5.733 1.00 0.00 C ATOM 956 O LYS A 55 -5.976 -10.589 -5.126 1.00 0.00 O ATOM 957 CB LYS A 55 -6.103 -9.342 -8.216 1.00 0.00 C ATOM 958 CG LYS A 55 -6.061 -10.784 -8.696 1.00 0.00 C ATOM 959 CD LYS A 55 -4.872 -11.032 -9.610 1.00 0.00 C ATOM 960 CE LYS A 55 -4.925 -12.420 -10.228 1.00 0.00 C ATOM 961 NZ LYS A 55 -4.457 -12.419 -11.641 1.00 0.00 N ATOM 0 H LYS A 55 -6.840 -7.123 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.668 -9.837 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.608 -8.733 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.084 -8.965 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.007 -11.453 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.984 -11.019 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.856 -10.281 -10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.947 -10.919 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.308 -13.102 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.947 -12.797 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.509 -13.384 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.061 -11.789 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.473 -12.083 -11.681 1.00 0.00 H new ATOM 975 N ILE A 56 -4.912 -8.629 -5.458 1.00 0.00 N ATOM 976 CA ILE A 56 -3.927 -8.837 -4.401 1.00 0.00 C ATOM 977 C ILE A 56 -2.815 -9.763 -4.871 1.00 0.00 C ATOM 978 O ILE A 56 -2.687 -10.896 -4.405 1.00 0.00 O ATOM 979 CB ILE A 56 -4.553 -9.413 -3.115 1.00 0.00 C ATOM 980 CG1 ILE A 56 -5.805 -8.623 -2.726 1.00 0.00 C ATOM 981 CG2 ILE A 56 -3.531 -9.391 -1.990 1.00 0.00 C ATOM 982 CD1 ILE A 56 -6.969 -9.500 -2.315 1.00 0.00 C ATOM 0 H ILE A 56 -4.807 -7.746 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.517 -7.854 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.850 -10.446 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.560 -7.950 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.109 -8.001 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.979 -9.799 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.667 -9.994 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.213 -8.365 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.822 -8.874 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.241 -10.155 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.683 -10.103 -1.453 1.00 0.00 H new ATOM 994 N ARG A 57 -2.013 -9.264 -5.799 1.00 0.00 N ATOM 995 CA ARG A 57 -0.900 -10.030 -6.348 1.00 0.00 C ATOM 996 C ARG A 57 0.067 -9.117 -7.094 1.00 0.00 C ATOM 997 O ARG A 57 1.280 -9.182 -6.888 1.00 0.00 O ATOM 998 CB ARG A 57 -1.419 -11.125 -7.284 1.00 0.00 C ATOM 999 CG ARG A 57 -0.830 -12.498 -6.999 1.00 0.00 C ATOM 1000 CD ARG A 57 -1.884 -13.590 -7.099 1.00 0.00 C ATOM 1001 NE ARG A 57 -1.327 -14.915 -6.838 1.00 0.00 N ATOM 1002 CZ ARG A 57 -2.065 -15.995 -6.592 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -3.390 -15.910 -6.571 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -1.478 -17.162 -6.366 1.00 0.00 N ATOM 0 H ARG A 57 -2.111 -8.327 -6.191 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.365 -10.497 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.504 -11.180 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.193 -10.848 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.025 -12.703 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.390 -12.506 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.685 -13.387 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.329 -13.574 -8.094 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.312 -15.019 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.846 -15.014 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.951 -16.740 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.461 -17.232 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.044 -17.989 -6.177 1.00 0.00 H new ATOM 1018 N ARG A 58 -0.482 -8.264 -7.960 1.00 0.00 N ATOM 1019 CA ARG A 58 0.318 -7.323 -8.747 1.00 0.00 C ATOM 1020 C ARG A 58 1.615 -7.961 -9.242 1.00 0.00 C ATOM 1021 O ARG A 58 2.682 -7.349 -9.180 1.00 0.00 O ATOM 1022 CB ARG A 58 0.626 -6.066 -7.926 1.00 0.00 C ATOM 1023 CG ARG A 58 1.524 -6.318 -6.724 1.00 0.00 C ATOM 1024 CD ARG A 58 1.653 -5.078 -5.854 1.00 0.00 C ATOM 1025 NE ARG A 58 3.032 -4.600 -5.776 1.00 0.00 N ATOM 1026 CZ ARG A 58 4.020 -5.277 -5.197 1.00 0.00 C ATOM 1027 NH1 ARG A 58 3.790 -6.467 -4.655 1.00 0.00 N ATOM 1028 NH2 ARG A 58 5.242 -4.764 -5.159 1.00 0.00 N ATOM 0 H ARG A 58 -1.485 -8.205 -8.135 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.270 -7.043 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.101 -5.329 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.312 -5.631 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.119 -7.138 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.512 -6.628 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.018 -4.288 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.290 -5.301 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 58 3.250 -3.694 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.852 -6.867 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.551 -6.982 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.425 -3.850 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.999 -5.283 -4.715 1.00 0.00 H new ATOM 1042 N SER A 59 1.513 -9.191 -9.731 1.00 0.00 N ATOM 1043 CA SER A 59 2.676 -9.912 -10.235 1.00 0.00 C ATOM 1044 C SER A 59 2.387 -10.521 -11.604 1.00 0.00 C ATOM 1045 O SER A 59 1.290 -11.092 -11.777 1.00 0.00 O ATOM 1046 CB SER A 59 3.086 -11.010 -9.254 1.00 0.00 C ATOM 1047 OG SER A 59 4.403 -11.465 -9.517 1.00 0.00 O ATOM 1048 OXT SER A 59 3.260 -10.419 -12.492 1.00 0.00 O ATOM 0 H SER A 59 0.637 -9.710 -9.789 1.00 0.00 H new ATOM 0 HA SER A 59 3.496 -9.201 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.026 -10.631 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.389 -11.845 -9.326 1.00 0.00 H new ATOM 0 HG SER A 59 4.641 -12.166 -8.875 1.00 0.00 H new TER 1054 SER A 59