USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 165:sc= -0.134 (180deg=-0.483) USER MOD Set 1.2: A 74 CYS SG : rot -22:sc= -0.324 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -141:sc= -4.1! (180deg=-6.77!) USER MOD Single : A 11 SER OG : rot -67:sc= 0.473 USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00757 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 0.107 (180deg=-0.15) USER MOD Single : A 17 GLN : amide:sc=-0.00838 K(o=-0.0084,f=-0.66) USER MOD Single : A 19 SER OG : rot 68:sc= 0.302 USER MOD Single : A 23 ASN : amide:sc= -3.67! C(o=-3.7!,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.373 (180deg=-0.969) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.815 F(o=-3.6!,f=-0.82) USER MOD Single : A 39 SER OG : rot -15:sc= 1.16 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.0386 X(o=0.039,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.319 K(o=-0.32,f=-6!) USER MOD Single : A 58 THR OG1 : rot -34:sc= 0.498 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 1.76 (180deg=1.36) USER MOD Single : A 62 SER OG : rot 180:sc= -0.748 USER MOD Single : A 63 THR OG1 : rot 158:sc= 0.755 USER MOD Single : A 70 TYR OH : rot -13:sc= 1 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -82:sc= 1.21 USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 LYS NZ :NH3+ -172:sc= 1.07 (180deg=0.962) USER MOD Single : B 211 TYR OH : rot 111:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -15.045 5.604 -3.753 1.00 0.00 N ATOM 105 CA LYS A 8 -14.824 5.376 -5.161 1.00 0.00 C ATOM 106 C LYS A 8 -13.623 4.457 -5.365 1.00 0.00 C ATOM 107 O LYS A 8 -12.636 4.528 -4.631 1.00 0.00 O ATOM 108 CB LYS A 8 -14.634 6.723 -5.869 1.00 0.00 C ATOM 109 CG LYS A 8 -13.807 6.654 -7.136 1.00 0.00 C ATOM 110 CD LYS A 8 -13.881 7.945 -7.924 1.00 0.00 C ATOM 111 CE LYS A 8 -13.087 7.848 -9.216 1.00 0.00 C ATOM 112 NZ LYS A 8 -13.172 9.097 -10.017 1.00 0.00 N ATOM 0 HA LYS A 8 -15.691 4.879 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.614 7.133 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.159 7.419 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.769 6.442 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.158 5.829 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.922 8.176 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.496 8.766 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.043 7.636 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.459 7.012 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.617 8.988 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.165 9.287 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.794 9.891 -9.463 1.00 0.00 H new ATOM 126 N PRO A 9 -13.714 3.565 -6.360 1.00 0.00 N ATOM 127 CA PRO A 9 -12.644 2.620 -6.688 1.00 0.00 C ATOM 128 C PRO A 9 -11.347 3.323 -7.053 1.00 0.00 C ATOM 129 O PRO A 9 -11.355 4.390 -7.669 1.00 0.00 O ATOM 130 CB PRO A 9 -13.194 1.843 -7.891 1.00 0.00 C ATOM 131 CG PRO A 9 -14.302 2.685 -8.430 1.00 0.00 C ATOM 132 CD PRO A 9 -14.873 3.418 -7.251 1.00 0.00 C ATOM 0 HA PRO A 9 -12.394 1.983 -5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.421 1.682 -8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.557 0.860 -7.592 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.932 3.382 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.061 2.069 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.286 4.385 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.678 2.856 -6.777 1.00 0.00 H new ATOM 140 N MET A 10 -10.241 2.730 -6.640 1.00 0.00 N ATOM 141 CA MET A 10 -8.932 3.274 -6.927 1.00 0.00 C ATOM 142 C MET A 10 -8.528 2.895 -8.350 1.00 0.00 C ATOM 143 O MET A 10 -8.412 1.711 -8.673 1.00 0.00 O ATOM 144 CB MET A 10 -7.905 2.773 -5.909 1.00 0.00 C ATOM 145 CG MET A 10 -6.643 3.619 -5.881 1.00 0.00 C ATOM 146 SD MET A 10 -6.918 5.225 -5.115 1.00 0.00 S ATOM 147 CE MET A 10 -6.118 5.028 -3.529 1.00 0.00 C ATOM 0 H MET A 10 -10.227 1.864 -6.100 1.00 0.00 H new ATOM 0 HA MET A 10 -8.967 4.361 -6.849 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.356 2.769 -4.917 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.641 1.742 -6.144 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.863 3.087 -5.336 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.280 3.761 -6.899 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.712 5.520 -2.758 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.028 3.967 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.125 5.477 -3.564 1.00 0.00 H new ATOM 157 N SER A 11 -8.330 3.898 -9.197 1.00 0.00 N ATOM 158 CA SER A 11 -8.095 3.666 -10.622 1.00 0.00 C ATOM 159 C SER A 11 -6.679 3.135 -10.870 1.00 0.00 C ATOM 160 O SER A 11 -5.850 3.167 -9.972 1.00 0.00 O ATOM 161 CB SER A 11 -8.342 4.964 -11.404 1.00 0.00 C ATOM 162 OG SER A 11 -7.535 6.023 -10.912 1.00 0.00 O ATOM 0 H SER A 11 -8.327 4.881 -8.924 1.00 0.00 H new ATOM 0 HA SER A 11 -8.792 2.905 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.128 4.801 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.394 5.241 -11.331 1.00 0.00 H new ATOM 0 HG SER A 11 -7.826 6.263 -10.007 1.00 0.00 H new ATOM 168 N TYR A 12 -6.403 2.652 -12.083 1.00 0.00 N ATOM 169 CA TYR A 12 -5.115 2.010 -12.389 1.00 0.00 C ATOM 170 C TYR A 12 -3.923 2.923 -12.103 1.00 0.00 C ATOM 171 O TYR A 12 -3.013 2.549 -11.359 1.00 0.00 O ATOM 172 CB TYR A 12 -5.062 1.542 -13.851 1.00 0.00 C ATOM 173 CG TYR A 12 -3.648 1.292 -14.356 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.736 0.553 -13.609 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.222 1.820 -15.568 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.447 0.350 -14.050 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.931 1.614 -16.020 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.049 0.880 -15.254 1.00 0.00 C ATOM 179 OH TYR A 12 0.239 0.680 -15.691 1.00 0.00 O ATOM 0 H TYR A 12 -7.050 2.691 -12.871 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.043 1.146 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.643 0.625 -13.952 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.538 2.293 -14.482 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.045 0.130 -12.664 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.909 2.400 -16.166 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.753 -0.223 -13.453 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.615 2.025 -16.967 1.00 0.00 H new ATOM 0 HH TYR A 12 0.361 1.117 -16.559 1.00 0.00 H new ATOM 189 N GLU A 13 -3.934 4.118 -12.676 1.00 0.00 N ATOM 190 CA GLU A 13 -2.784 5.013 -12.599 1.00 0.00 C ATOM 191 C GLU A 13 -2.614 5.474 -11.165 1.00 0.00 C ATOM 192 O GLU A 13 -1.546 5.914 -10.743 1.00 0.00 O ATOM 193 CB GLU A 13 -2.999 6.207 -13.531 1.00 0.00 C ATOM 194 CG GLU A 13 -3.219 5.800 -14.979 1.00 0.00 C ATOM 195 CD GLU A 13 -3.824 6.907 -15.813 1.00 0.00 C ATOM 196 OE1 GLU A 13 -3.070 7.614 -16.511 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.063 7.065 -15.780 1.00 0.00 O ATOM 0 H GLU A 13 -4.725 4.492 -13.200 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.880 4.491 -12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.860 6.780 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.133 6.867 -13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.266 5.501 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.872 4.928 -15.011 1.00 0.00 H new ATOM 204 N GLU A 14 -3.686 5.301 -10.425 1.00 0.00 N ATOM 205 CA GLU A 14 -3.786 5.725 -9.065 1.00 0.00 C ATOM 206 C GLU A 14 -3.314 4.603 -8.146 1.00 0.00 C ATOM 207 O GLU A 14 -2.558 4.832 -7.208 1.00 0.00 O ATOM 208 CB GLU A 14 -5.246 6.065 -8.852 1.00 0.00 C ATOM 209 CG GLU A 14 -5.542 6.881 -7.626 1.00 0.00 C ATOM 210 CD GLU A 14 -6.990 7.322 -7.584 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.836 6.676 -8.252 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.288 8.323 -6.899 1.00 0.00 O ATOM 0 H GLU A 14 -4.531 4.847 -10.772 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.161 6.589 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.607 6.608 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.814 5.136 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.314 6.296 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.894 7.757 -7.607 1.00 0.00 H new ATOM 219 N LYS A 15 -3.782 3.391 -8.433 1.00 0.00 N ATOM 220 CA LYS A 15 -3.276 2.178 -7.828 1.00 0.00 C ATOM 221 C LYS A 15 -1.770 2.059 -7.971 1.00 0.00 C ATOM 222 O LYS A 15 -1.059 1.876 -6.986 1.00 0.00 O ATOM 223 CB LYS A 15 -3.920 0.962 -8.481 1.00 0.00 C ATOM 224 CG LYS A 15 -5.319 0.663 -7.980 1.00 0.00 C ATOM 225 CD LYS A 15 -5.711 -0.773 -8.300 1.00 0.00 C ATOM 226 CE LYS A 15 -6.917 -1.233 -7.496 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.493 -2.485 -8.049 1.00 0.00 N ATOM 0 H LYS A 15 -4.534 3.230 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.524 2.221 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.957 1.118 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.288 0.091 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.368 0.827 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.030 1.350 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.932 -0.859 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.867 -1.432 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.624 -1.393 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.676 -0.451 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.494 -2.558 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.418 -2.473 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.971 -3.303 -7.674 1.00 0.00 H new ATOM 241 N ARG A 16 -1.292 2.139 -9.206 1.00 0.00 N ATOM 242 CA ARG A 16 0.132 2.013 -9.473 1.00 0.00 C ATOM 243 C ARG A 16 0.902 3.113 -8.767 1.00 0.00 C ATOM 244 O ARG A 16 1.981 2.868 -8.227 1.00 0.00 O ATOM 245 CB ARG A 16 0.412 2.026 -10.989 1.00 0.00 C ATOM 246 CG ARG A 16 1.866 2.243 -11.371 1.00 0.00 C ATOM 247 CD ARG A 16 2.076 2.045 -12.867 1.00 0.00 C ATOM 248 NE ARG A 16 1.785 0.680 -13.308 1.00 0.00 N ATOM 249 CZ ARG A 16 2.705 -0.284 -13.392 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.944 -0.067 -12.962 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.384 -1.466 -13.907 1.00 0.00 N ATOM 0 H ARG A 16 -1.868 2.290 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 16 0.471 1.054 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.078 1.079 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.190 2.811 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.173 3.250 -11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.498 1.549 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.440 2.741 -13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.107 2.291 -13.120 1.00 0.00 H new ATOM 0 HE ARG A 16 0.825 0.452 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.195 0.839 -12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.644 -0.806 -13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.435 -1.637 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.087 -2.202 -13.971 1.00 0.00 H new ATOM 265 N GLN A 17 0.343 4.319 -8.736 1.00 0.00 N ATOM 266 CA GLN A 17 0.987 5.390 -8.010 1.00 0.00 C ATOM 267 C GLN A 17 0.940 5.096 -6.514 1.00 0.00 C ATOM 268 O GLN A 17 1.907 5.338 -5.812 1.00 0.00 O ATOM 269 CB GLN A 17 0.382 6.762 -8.346 1.00 0.00 C ATOM 270 CG GLN A 17 1.138 7.908 -7.705 1.00 0.00 C ATOM 271 CD GLN A 17 2.573 8.002 -8.186 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.880 7.702 -9.341 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.467 8.387 -7.293 1.00 0.00 N ATOM 0 H GLN A 17 -0.533 4.569 -9.195 1.00 0.00 H new ATOM 0 HA GLN A 17 2.030 5.439 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.376 6.896 -9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.656 6.787 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.624 8.844 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.129 7.784 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.172 8.627 -6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.452 8.444 -7.550 1.00 0.00 H new ATOM 282 N LEU A 18 -0.159 4.501 -6.057 1.00 0.00 N ATOM 283 CA LEU A 18 -0.327 4.130 -4.658 1.00 0.00 C ATOM 284 C LEU A 18 0.740 3.149 -4.239 1.00 0.00 C ATOM 285 O LEU A 18 1.368 3.307 -3.197 1.00 0.00 O ATOM 286 CB LEU A 18 -1.700 3.507 -4.399 1.00 0.00 C ATOM 287 CG LEU A 18 -2.609 4.251 -3.413 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.113 3.340 -2.315 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.920 5.444 -2.789 1.00 0.00 C ATOM 0 H LEU A 18 -0.956 4.263 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.241 5.046 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.223 3.425 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.551 2.493 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.457 4.605 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.753 3.906 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.683 2.522 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.266 2.936 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.603 5.939 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.035 5.111 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.625 6.144 -3.571 1.00 0.00 H new ATOM 301 N SER A 19 0.939 2.132 -5.065 1.00 0.00 N ATOM 302 CA SER A 19 1.959 1.137 -4.812 1.00 0.00 C ATOM 303 C SER A 19 3.318 1.816 -4.684 1.00 0.00 C ATOM 304 O SER A 19 4.189 1.376 -3.933 1.00 0.00 O ATOM 305 CB SER A 19 1.986 0.121 -5.947 1.00 0.00 C ATOM 306 OG SER A 19 0.679 -0.340 -6.254 1.00 0.00 O ATOM 0 H SER A 19 0.402 1.978 -5.919 1.00 0.00 H new ATOM 0 HA SER A 19 1.731 0.618 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.433 0.573 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.616 -0.723 -5.668 1.00 0.00 H new ATOM 0 HG SER A 19 0.158 0.391 -6.647 1.00 0.00 H new ATOM 312 N LEU A 20 3.475 2.902 -5.430 1.00 0.00 N ATOM 313 CA LEU A 20 4.686 3.711 -5.382 1.00 0.00 C ATOM 314 C LEU A 20 4.737 4.584 -4.115 1.00 0.00 C ATOM 315 O LEU A 20 5.742 4.571 -3.407 1.00 0.00 O ATOM 316 CB LEU A 20 4.785 4.571 -6.645 1.00 0.00 C ATOM 317 CG LEU A 20 4.907 3.785 -7.952 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.824 4.712 -9.154 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.202 3.005 -7.976 1.00 0.00 C ATOM 0 H LEU A 20 2.770 3.246 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 20 5.544 3.040 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.903 5.209 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.649 5.229 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 20 4.074 3.084 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.913 4.129 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.866 5.232 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.633 5.441 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.275 2.451 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.043 3.694 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.222 2.308 -7.138 1.00 0.00 H new ATOM 331 N ASP A 21 3.666 5.345 -3.826 1.00 0.00 N ATOM 332 CA ASP A 21 3.575 6.126 -2.598 1.00 0.00 C ATOM 333 C ASP A 21 3.863 5.247 -1.384 1.00 0.00 C ATOM 334 O ASP A 21 4.578 5.640 -0.456 1.00 0.00 O ATOM 335 CB ASP A 21 2.211 6.778 -2.454 1.00 0.00 C ATOM 336 CG ASP A 21 1.560 7.222 -3.751 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.220 7.937 -4.537 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.364 6.942 -3.950 1.00 0.00 O ATOM 0 H ASP A 21 2.852 5.430 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 21 4.324 6.916 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.543 6.077 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.309 7.645 -1.801 1.00 0.00 H new ATOM 343 N ILE A 22 3.334 4.038 -1.430 1.00 0.00 N ATOM 344 CA ILE A 22 3.511 3.062 -0.362 1.00 0.00 C ATOM 345 C ILE A 22 4.949 2.538 -0.300 1.00 0.00 C ATOM 346 O ILE A 22 5.490 2.322 0.778 1.00 0.00 O ATOM 347 CB ILE A 22 2.518 1.890 -0.524 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.084 2.366 -0.279 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.851 0.759 0.429 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.039 1.410 -0.799 1.00 0.00 C ATOM 0 H ILE A 22 2.768 3.701 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 22 3.305 3.571 0.579 1.00 0.00 H new ATOM 0 HB ILE A 22 2.603 1.520 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.934 2.509 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.945 3.338 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.136 -0.053 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.858 0.395 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.799 1.121 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.954 1.809 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.163 1.285 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.152 0.444 -0.306 1.00 0.00 H new ATOM 362 N ASN A 23 5.577 2.365 -1.450 1.00 0.00 N ATOM 363 CA ASN A 23 6.924 1.803 -1.498 1.00 0.00 C ATOM 364 C ASN A 23 7.981 2.878 -1.231 1.00 0.00 C ATOM 365 O ASN A 23 9.149 2.568 -0.973 1.00 0.00 O ATOM 366 CB ASN A 23 7.157 1.101 -2.842 1.00 0.00 C ATOM 367 CG ASN A 23 8.005 1.892 -3.824 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.502 2.710 -4.588 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.293 1.606 -3.849 1.00 0.00 N ATOM 0 H ASN A 23 5.183 2.603 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 23 7.019 1.059 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.637 0.140 -2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.191 0.892 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.906 2.071 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.676 0.920 -3.198 1.00 0.00 H new ATOM 376 N LYS A 24 7.570 4.140 -1.313 1.00 0.00 N ATOM 377 CA LYS A 24 8.414 5.256 -0.904 1.00 0.00 C ATOM 378 C LYS A 24 8.668 5.216 0.592 1.00 0.00 C ATOM 379 O LYS A 24 9.745 5.602 1.057 1.00 0.00 O ATOM 380 CB LYS A 24 7.749 6.578 -1.248 1.00 0.00 C ATOM 381 CG LYS A 24 7.779 6.936 -2.721 1.00 0.00 C ATOM 382 CD LYS A 24 6.687 7.927 -3.037 1.00 0.00 C ATOM 383 CE LYS A 24 6.937 8.693 -4.308 1.00 0.00 C ATOM 384 NZ LYS A 24 8.376 9.008 -4.523 1.00 0.00 N ATOM 0 H LYS A 24 6.652 4.415 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 24 9.361 5.169 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.711 6.544 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.238 7.373 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.750 7.358 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.651 6.037 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.737 7.399 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.591 8.629 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.567 8.113 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.367 9.622 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.465 9.751 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.795 9.341 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.875 8.153 -4.842 1.00 0.00 H new ATOM 398 N LEU A 25 7.662 4.768 1.337 1.00 0.00 N ATOM 399 CA LEU A 25 7.757 4.672 2.783 1.00 0.00 C ATOM 400 C LEU A 25 8.973 3.859 3.206 1.00 0.00 C ATOM 401 O LEU A 25 9.369 2.907 2.530 1.00 0.00 O ATOM 402 CB LEU A 25 6.514 4.005 3.363 1.00 0.00 C ATOM 403 CG LEU A 25 5.172 4.517 2.859 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.070 3.636 3.406 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.944 5.958 3.285 1.00 0.00 C ATOM 0 H LEU A 25 6.766 4.464 0.956 1.00 0.00 H new ATOM 0 HA LEU A 25 7.849 5.690 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.572 2.937 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.539 4.121 4.447 1.00 0.00 H new ATOM 0 HG LEU A 25 5.168 4.484 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.105 3.996 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.222 2.611 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.088 3.665 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.978 6.299 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.956 6.022 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.734 6.588 2.876 1.00 0.00 H new ATOM 417 N PRO A 26 9.600 4.255 4.315 1.00 0.00 N ATOM 418 CA PRO A 26 10.629 3.442 4.961 1.00 0.00 C ATOM 419 C PRO A 26 10.063 2.085 5.388 1.00 0.00 C ATOM 420 O PRO A 26 8.864 1.982 5.654 1.00 0.00 O ATOM 421 CB PRO A 26 11.049 4.256 6.191 1.00 0.00 C ATOM 422 CG PRO A 26 10.481 5.631 6.002 1.00 0.00 C ATOM 423 CD PRO A 26 9.371 5.541 4.988 1.00 0.00 C ATOM 0 HA PRO A 26 11.465 3.232 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.669 3.801 7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.135 4.293 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.103 6.020 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.254 6.319 5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.392 5.571 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.408 6.371 4.283 1.00 0.00 H new ATOM 431 N GLY A 27 10.918 1.063 5.452 1.00 0.00 N ATOM 432 CA GLY A 27 10.467 -0.304 5.719 1.00 0.00 C ATOM 433 C GLY A 27 9.466 -0.410 6.859 1.00 0.00 C ATOM 434 O GLY A 27 8.441 -1.085 6.733 1.00 0.00 O ATOM 0 H GLY A 27 11.926 1.156 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.017 -0.711 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.333 -0.924 5.950 1.00 0.00 H new ATOM 438 N GLU A 28 9.765 0.270 7.961 1.00 0.00 N ATOM 439 CA GLU A 28 8.890 0.313 9.136 1.00 0.00 C ATOM 440 C GLU A 28 7.459 0.709 8.751 1.00 0.00 C ATOM 441 O GLU A 28 6.483 0.105 9.208 1.00 0.00 O ATOM 442 CB GLU A 28 9.457 1.327 10.139 1.00 0.00 C ATOM 443 CG GLU A 28 8.614 1.531 11.387 1.00 0.00 C ATOM 444 CD GLU A 28 8.672 0.365 12.347 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.773 -0.495 12.298 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.601 0.320 13.178 1.00 0.00 O ATOM 0 H GLU A 28 10.624 0.810 8.069 1.00 0.00 H new ATOM 0 HA GLU A 28 8.853 -0.681 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.453 1.001 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.574 2.287 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.950 2.432 11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.578 1.699 11.093 1.00 0.00 H new ATOM 453 N LYS A 29 7.345 1.697 7.877 1.00 0.00 N ATOM 454 CA LYS A 29 6.056 2.268 7.526 1.00 0.00 C ATOM 455 C LYS A 29 5.260 1.352 6.598 1.00 0.00 C ATOM 456 O LYS A 29 4.033 1.377 6.599 1.00 0.00 O ATOM 457 CB LYS A 29 6.232 3.649 6.885 1.00 0.00 C ATOM 458 CG LYS A 29 6.482 4.805 7.872 1.00 0.00 C ATOM 459 CD LYS A 29 5.829 4.623 9.237 1.00 0.00 C ATOM 460 CE LYS A 29 6.177 5.787 10.152 1.00 0.00 C ATOM 461 NZ LYS A 29 6.184 7.092 9.437 1.00 0.00 N ATOM 0 H LYS A 29 8.137 2.122 7.395 1.00 0.00 H new ATOM 0 HA LYS A 29 5.489 2.376 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.067 3.603 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.340 3.877 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.557 4.922 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.115 5.731 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.747 4.553 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.164 3.687 9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.458 5.829 10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.157 5.615 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.172 7.868 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.041 7.163 8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.343 7.159 8.828 1.00 0.00 H new ATOM 475 N LEU A 30 5.934 0.516 5.825 1.00 0.00 N ATOM 476 CA LEU A 30 5.213 -0.453 5.007 1.00 0.00 C ATOM 477 C LEU A 30 4.634 -1.549 5.894 1.00 0.00 C ATOM 478 O LEU A 30 3.780 -2.323 5.468 1.00 0.00 O ATOM 479 CB LEU A 30 6.088 -1.059 3.911 1.00 0.00 C ATOM 480 CG LEU A 30 6.479 -0.124 2.773 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.962 0.165 2.800 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.092 -0.733 1.438 1.00 0.00 C ATOM 0 H LEU A 30 6.950 0.485 5.745 1.00 0.00 H new ATOM 0 HA LEU A 30 4.404 0.079 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.000 -1.440 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.563 -1.915 3.487 1.00 0.00 H new ATOM 0 HG LEU A 30 5.943 0.816 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.217 0.834 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.224 0.637 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.516 -0.767 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.377 -0.056 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.606 -1.685 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.015 -0.896 1.411 1.00 0.00 H new ATOM 494 N GLY A 31 5.084 -1.590 7.144 1.00 0.00 N ATOM 495 CA GLY A 31 4.509 -2.505 8.109 1.00 0.00 C ATOM 496 C GLY A 31 3.075 -2.143 8.437 1.00 0.00 C ATOM 497 O GLY A 31 2.307 -2.962 8.940 1.00 0.00 O ATOM 0 H GLY A 31 5.837 -1.005 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.547 -3.521 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.105 -2.494 9.021 1.00 0.00 H new ATOM 501 N ARG A 32 2.721 -0.905 8.150 1.00 0.00 N ATOM 502 CA ARG A 32 1.356 -0.430 8.329 1.00 0.00 C ATOM 503 C ARG A 32 0.451 -0.914 7.197 1.00 0.00 C ATOM 504 O ARG A 32 -0.607 -1.482 7.449 1.00 0.00 O ATOM 505 CB ARG A 32 1.333 1.097 8.400 1.00 0.00 C ATOM 506 CG ARG A 32 -0.046 1.703 8.171 1.00 0.00 C ATOM 507 CD ARG A 32 -0.681 2.182 9.460 1.00 0.00 C ATOM 508 NE ARG A 32 0.140 3.181 10.146 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.288 3.913 11.174 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.499 3.714 11.683 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.508 4.832 11.707 1.00 0.00 N ATOM 0 H ARG A 32 3.365 -0.201 7.788 1.00 0.00 H new ATOM 0 HA ARG A 32 0.978 -0.838 9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.700 1.411 9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.023 1.496 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.037 2.539 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.694 0.962 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.661 2.607 9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.842 1.331 10.122 1.00 0.00 H new ATOM 0 HE ARG A 32 1.095 3.325 9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.107 2.997 11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.820 4.278 12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.445 4.976 11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.183 5.394 12.494 1.00 0.00 H new ATOM 525 N VAL A 33 0.866 -0.685 5.953 1.00 0.00 N ATOM 526 CA VAL A 33 0.076 -1.099 4.793 1.00 0.00 C ATOM 527 C VAL A 33 -0.096 -2.609 4.746 1.00 0.00 C ATOM 528 O VAL A 33 -1.184 -3.087 4.449 1.00 0.00 O ATOM 529 CB VAL A 33 0.679 -0.602 3.463 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.327 0.858 3.237 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.182 -0.780 3.447 1.00 0.00 C ATOM 0 H VAL A 33 1.742 -0.217 5.721 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.903 -0.635 4.913 1.00 0.00 H new ATOM 0 HB VAL A 33 0.254 -1.200 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.759 1.195 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.757 0.969 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.725 1.459 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.581 -0.422 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.624 -0.211 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.425 -1.836 3.567 1.00 0.00 H new ATOM 541 N VAL A 34 0.959 -3.365 5.056 1.00 0.00 N ATOM 542 CA VAL A 34 0.831 -4.813 5.121 1.00 0.00 C ATOM 543 C VAL A 34 -0.167 -5.196 6.207 1.00 0.00 C ATOM 544 O VAL A 34 -0.945 -6.127 6.045 1.00 0.00 O ATOM 545 CB VAL A 34 2.183 -5.526 5.367 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.211 -5.117 4.329 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.706 -5.257 6.764 1.00 0.00 C ATOM 0 H VAL A 34 1.891 -3.004 5.261 1.00 0.00 H new ATOM 0 HA VAL A 34 0.470 -5.146 4.148 1.00 0.00 H new ATOM 0 HB VAL A 34 2.007 -6.598 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.151 -5.632 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.851 -5.384 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.370 -4.040 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.656 -5.773 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.852 -4.185 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.986 -5.620 7.498 1.00 0.00 H new ATOM 557 N HIS A 35 -0.158 -4.442 7.301 1.00 0.00 N ATOM 558 CA HIS A 35 -1.098 -4.650 8.391 1.00 0.00 C ATOM 559 C HIS A 35 -2.519 -4.321 7.934 1.00 0.00 C ATOM 560 O HIS A 35 -3.443 -5.093 8.179 1.00 0.00 O ATOM 561 CB HIS A 35 -0.684 -3.796 9.600 1.00 0.00 C ATOM 562 CG HIS A 35 -1.652 -3.814 10.744 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.602 -4.746 11.755 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.685 -2.992 11.045 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.560 -4.498 12.627 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.231 -3.439 12.220 1.00 0.00 N ATOM 0 H HIS A 35 0.497 -3.675 7.455 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.082 -5.698 8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.285 -4.143 9.957 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.552 -2.765 9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.017 -2.142 10.467 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.761 -5.067 13.523 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.027 -3.020 12.701 1.00 0.00 H new ATOM 575 N ILE A 36 -2.684 -3.181 7.264 1.00 0.00 N ATOM 576 CA ILE A 36 -3.982 -2.797 6.720 1.00 0.00 C ATOM 577 C ILE A 36 -4.465 -3.838 5.719 1.00 0.00 C ATOM 578 O ILE A 36 -5.478 -4.497 5.944 1.00 0.00 O ATOM 579 CB ILE A 36 -3.957 -1.416 6.019 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.622 -0.300 7.001 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.313 -1.153 5.384 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.344 1.025 6.327 1.00 0.00 C ATOM 0 H ILE A 36 -1.936 -2.510 7.086 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.661 -2.733 7.570 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.181 -1.432 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.451 -0.178 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.751 -0.591 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.301 -0.182 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.529 -1.931 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.083 -1.157 6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.112 1.776 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.497 0.918 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.222 1.337 5.762 1.00 0.00 H new ATOM 594 N ILE A 37 -3.725 -3.989 4.628 1.00 0.00 N ATOM 595 CA ILE A 37 -4.081 -4.931 3.576 1.00 0.00 C ATOM 596 C ILE A 37 -4.403 -6.325 4.128 1.00 0.00 C ATOM 597 O ILE A 37 -5.456 -6.861 3.843 1.00 0.00 O ATOM 598 CB ILE A 37 -2.976 -5.035 2.515 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.029 -3.831 1.589 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.134 -6.309 1.721 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.700 -3.156 1.405 1.00 0.00 C ATOM 0 H ILE A 37 -2.868 -3.466 4.448 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.983 -4.536 3.108 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.008 -5.053 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.404 -4.148 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.742 -3.109 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.345 -6.371 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.067 -7.166 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.105 -6.311 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.814 -2.306 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.332 -2.808 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.989 -3.863 0.979 1.00 0.00 H new ATOM 613 N GLN A 38 -3.514 -6.892 4.939 1.00 0.00 N ATOM 614 CA GLN A 38 -3.713 -8.249 5.465 1.00 0.00 C ATOM 615 C GLN A 38 -5.007 -8.361 6.276 1.00 0.00 C ATOM 616 O GLN A 38 -5.725 -9.357 6.176 1.00 0.00 O ATOM 617 CB GLN A 38 -2.531 -8.670 6.336 1.00 0.00 C ATOM 618 CG GLN A 38 -1.311 -9.125 5.551 1.00 0.00 C ATOM 619 CD GLN A 38 -0.152 -9.510 6.454 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.064 -9.282 5.989 1.00 0.00 O flip ATOM 621 NE2 GLN A 38 -0.348 -9.994 7.567 1.00 0.00 N flip ATOM 0 H GLN A 38 -2.653 -6.441 5.247 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.787 -8.915 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.248 -7.833 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.849 -9.479 6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.581 -9.977 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.995 -8.326 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.301 -10.156 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.443 -10.234 8.165 1.00 0.00 H new ATOM 630 N SER A 39 -5.298 -7.347 7.084 1.00 0.00 N ATOM 631 CA SER A 39 -6.495 -7.348 7.904 1.00 0.00 C ATOM 632 C SER A 39 -7.751 -7.147 7.059 1.00 0.00 C ATOM 633 O SER A 39 -8.812 -7.703 7.347 1.00 0.00 O ATOM 634 CB SER A 39 -6.397 -6.256 8.965 1.00 0.00 C ATOM 635 OG SER A 39 -6.285 -4.966 8.389 1.00 0.00 O ATOM 0 H SER A 39 -4.718 -6.514 7.186 1.00 0.00 H new ATOM 0 HA SER A 39 -6.572 -8.321 8.389 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.278 -6.292 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.533 -6.445 9.602 1.00 0.00 H new ATOM 0 HG SER A 39 -6.055 -5.050 7.440 1.00 0.00 H new ATOM 641 N ARG A 40 -7.621 -6.338 6.023 1.00 0.00 N ATOM 642 CA ARG A 40 -8.738 -6.023 5.148 1.00 0.00 C ATOM 643 C ARG A 40 -8.913 -7.098 4.080 1.00 0.00 C ATOM 644 O ARG A 40 -9.988 -7.241 3.502 1.00 0.00 O ATOM 645 CB ARG A 40 -8.522 -4.656 4.490 1.00 0.00 C ATOM 646 CG ARG A 40 -8.309 -3.527 5.485 1.00 0.00 C ATOM 647 CD ARG A 40 -9.089 -2.284 5.107 1.00 0.00 C ATOM 648 NE ARG A 40 -10.514 -2.562 4.937 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.486 -1.700 5.227 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.195 -0.502 5.718 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.754 -2.047 5.033 1.00 0.00 N ATOM 0 H ARG A 40 -6.745 -5.883 5.765 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.646 -5.989 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.658 -4.713 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.385 -4.422 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.612 -3.857 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.247 -3.287 5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.957 -1.525 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.687 -1.871 4.182 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.781 -3.476 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.222 -0.238 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.944 0.155 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.979 -2.971 4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.502 -1.390 5.254 1.00 0.00 H new ATOM 665 N GLU A 41 -7.849 -7.844 3.828 1.00 0.00 N ATOM 666 CA GLU A 41 -7.846 -8.885 2.808 1.00 0.00 C ATOM 667 C GLU A 41 -7.463 -10.230 3.426 1.00 0.00 C ATOM 668 O GLU A 41 -6.296 -10.633 3.379 1.00 0.00 O ATOM 669 CB GLU A 41 -6.857 -8.531 1.698 1.00 0.00 C ATOM 670 CG GLU A 41 -7.038 -7.133 1.130 1.00 0.00 C ATOM 671 CD GLU A 41 -8.298 -6.997 0.304 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.988 -5.962 0.424 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.614 -7.931 -0.462 1.00 0.00 O ATOM 0 H GLU A 41 -6.963 -7.746 4.324 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.848 -8.959 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.843 -8.626 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.959 -9.256 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.066 -6.414 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.175 -6.881 0.513 1.00 0.00 H new ATOM 680 N PRO A 42 -8.440 -10.944 4.014 1.00 0.00 N ATOM 681 CA PRO A 42 -8.204 -12.229 4.700 1.00 0.00 C ATOM 682 C PRO A 42 -7.528 -13.298 3.832 1.00 0.00 C ATOM 683 O PRO A 42 -7.096 -14.335 4.340 1.00 0.00 O ATOM 684 CB PRO A 42 -9.610 -12.694 5.085 1.00 0.00 C ATOM 685 CG PRO A 42 -10.428 -11.451 5.136 1.00 0.00 C ATOM 686 CD PRO A 42 -9.857 -10.535 4.090 1.00 0.00 C ATOM 0 HA PRO A 42 -7.519 -12.089 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.007 -13.398 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.607 -13.204 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.477 -11.666 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.380 -10.993 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.362 -10.655 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.958 -9.488 4.374 1.00 0.00 H new ATOM 694 N SER A 43 -7.426 -13.051 2.533 1.00 0.00 N ATOM 695 CA SER A 43 -6.883 -14.032 1.613 1.00 0.00 C ATOM 696 C SER A 43 -5.355 -14.029 1.625 1.00 0.00 C ATOM 697 O SER A 43 -4.726 -15.048 1.349 1.00 0.00 O ATOM 698 CB SER A 43 -7.390 -13.742 0.197 1.00 0.00 C ATOM 699 OG SER A 43 -8.808 -13.750 0.153 1.00 0.00 O ATOM 0 H SER A 43 -7.714 -12.176 2.095 1.00 0.00 H new ATOM 0 HA SER A 43 -7.218 -15.018 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.018 -12.773 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.997 -14.488 -0.494 1.00 0.00 H new ATOM 0 HG SER A 43 -9.108 -13.561 -0.761 1.00 0.00 H new ATOM 705 N LEU A 44 -4.757 -12.895 1.968 1.00 0.00 N ATOM 706 CA LEU A 44 -3.311 -12.750 1.845 1.00 0.00 C ATOM 707 C LEU A 44 -2.609 -12.710 3.194 1.00 0.00 C ATOM 708 O LEU A 44 -1.458 -12.281 3.287 1.00 0.00 O ATOM 709 CB LEU A 44 -2.969 -11.511 1.017 1.00 0.00 C ATOM 710 CG LEU A 44 -3.599 -10.207 1.466 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.699 -9.504 2.456 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.877 -9.328 0.260 1.00 0.00 C ATOM 0 H LEU A 44 -5.242 -12.073 2.328 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.943 -13.636 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.886 -11.386 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.266 -11.697 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.545 -10.418 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.164 -8.569 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.545 -10.143 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.738 -9.292 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.330 -8.392 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.942 -9.116 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.559 -9.843 -0.416 1.00 0.00 H new ATOM 724 N LYS A 45 -3.273 -13.197 4.234 1.00 0.00 N ATOM 725 CA LYS A 45 -2.639 -13.280 5.545 1.00 0.00 C ATOM 726 C LYS A 45 -1.648 -14.439 5.578 1.00 0.00 C ATOM 727 O LYS A 45 -1.045 -14.732 6.612 1.00 0.00 O ATOM 728 CB LYS A 45 -3.674 -13.410 6.669 1.00 0.00 C ATOM 729 CG LYS A 45 -4.506 -14.684 6.623 1.00 0.00 C ATOM 730 CD LYS A 45 -5.837 -14.528 7.349 1.00 0.00 C ATOM 731 CE LYS A 45 -5.672 -14.536 8.861 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.954 -14.261 9.559 1.00 0.00 N ATOM 0 H LYS A 45 -4.234 -13.536 4.199 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.096 -12.350 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.157 -13.364 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.345 -12.552 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.690 -14.958 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.942 -15.501 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.309 -13.595 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.506 -15.336 7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.286 -15.504 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.934 -13.788 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.799 -14.275 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.310 -13.326 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.651 -14.989 9.304 1.00 0.00 H new ATOM 746 N ASN A 46 -1.484 -15.090 4.430 1.00 0.00 N ATOM 747 CA ASN A 46 -0.483 -16.134 4.271 1.00 0.00 C ATOM 748 C ASN A 46 0.875 -15.503 3.989 1.00 0.00 C ATOM 749 O ASN A 46 1.918 -16.122 4.205 1.00 0.00 O ATOM 750 CB ASN A 46 -0.853 -17.093 3.131 1.00 0.00 C ATOM 751 CG ASN A 46 -2.229 -17.705 3.293 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.412 -18.662 4.044 1.00 0.00 O ATOM 753 ND2 ASN A 46 -3.202 -17.188 2.556 1.00 0.00 N ATOM 0 H ASN A 46 -2.037 -14.909 3.592 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.440 -16.707 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.810 -16.556 2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.111 -17.890 3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.141 -17.584 2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.012 -16.394 1.945 1.00 0.00 H new ATOM 760 N SER A 47 0.853 -14.268 3.498 1.00 0.00 N ATOM 761 CA SER A 47 2.073 -13.525 3.254 1.00 0.00 C ATOM 762 C SER A 47 2.588 -12.936 4.559 1.00 0.00 C ATOM 763 O SER A 47 1.914 -12.132 5.204 1.00 0.00 O ATOM 764 CB SER A 47 1.837 -12.418 2.225 1.00 0.00 C ATOM 765 OG SER A 47 1.415 -12.958 0.984 1.00 0.00 O ATOM 0 H SER A 47 -0.002 -13.764 3.262 1.00 0.00 H new ATOM 0 HA SER A 47 2.822 -14.206 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.084 -11.724 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.754 -11.847 2.084 1.00 0.00 H new ATOM 0 HG SER A 47 1.269 -12.231 0.343 1.00 0.00 H new ATOM 771 N ASN A 48 3.773 -13.363 4.948 1.00 0.00 N ATOM 772 CA ASN A 48 4.399 -12.879 6.173 1.00 0.00 C ATOM 773 C ASN A 48 4.837 -11.437 5.949 1.00 0.00 C ATOM 774 O ASN A 48 5.441 -11.140 4.930 1.00 0.00 O ATOM 775 CB ASN A 48 5.618 -13.741 6.526 1.00 0.00 C ATOM 776 CG ASN A 48 5.606 -14.212 7.968 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.070 -13.546 8.852 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.201 -15.364 8.217 1.00 0.00 N ATOM 0 H ASN A 48 4.328 -14.047 4.434 1.00 0.00 H new ATOM 0 HA ASN A 48 3.688 -12.936 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.648 -14.608 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.527 -13.169 6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.227 -15.729 9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.635 -15.889 7.457 1.00 0.00 H new ATOM 785 N PRO A 49 4.536 -10.515 6.886 1.00 0.00 N ATOM 786 CA PRO A 49 4.802 -9.073 6.701 1.00 0.00 C ATOM 787 C PRO A 49 6.274 -8.742 6.435 1.00 0.00 C ATOM 788 O PRO A 49 6.580 -7.687 5.896 1.00 0.00 O ATOM 789 CB PRO A 49 4.350 -8.449 8.025 1.00 0.00 C ATOM 790 CG PRO A 49 3.403 -9.436 8.614 1.00 0.00 C ATOM 791 CD PRO A 49 3.908 -10.788 8.195 1.00 0.00 C ATOM 0 HA PRO A 49 4.279 -8.694 5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.197 -8.272 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.866 -7.486 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.373 -9.349 9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.388 -9.268 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.625 -11.191 8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.099 -11.513 8.111 1.00 0.00 H new ATOM 799 N ASP A 50 7.173 -9.647 6.795 1.00 0.00 N ATOM 800 CA ASP A 50 8.611 -9.421 6.603 1.00 0.00 C ATOM 801 C ASP A 50 9.053 -9.946 5.233 1.00 0.00 C ATOM 802 O ASP A 50 10.159 -9.677 4.763 1.00 0.00 O ATOM 803 CB ASP A 50 9.401 -10.093 7.739 1.00 0.00 C ATOM 804 CG ASP A 50 10.902 -9.916 7.622 1.00 0.00 C ATOM 805 OD1 ASP A 50 11.382 -8.765 7.725 1.00 0.00 O ATOM 806 OD2 ASP A 50 11.614 -10.934 7.472 1.00 0.00 O ATOM 0 H ASP A 50 6.940 -10.544 7.221 1.00 0.00 H new ATOM 0 HA ASP A 50 8.814 -8.351 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.069 -9.684 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.169 -11.158 7.751 1.00 0.00 H new ATOM 811 N GLU A 51 8.151 -10.674 4.590 1.00 0.00 N ATOM 812 CA GLU A 51 8.379 -11.265 3.275 1.00 0.00 C ATOM 813 C GLU A 51 7.144 -11.030 2.409 1.00 0.00 C ATOM 814 O GLU A 51 6.804 -11.838 1.544 1.00 0.00 O ATOM 815 CB GLU A 51 8.636 -12.773 3.396 1.00 0.00 C ATOM 816 CG GLU A 51 9.826 -13.171 4.262 1.00 0.00 C ATOM 817 CD GLU A 51 9.868 -14.664 4.500 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.367 -15.398 3.619 1.00 0.00 O ATOM 819 OE2 GLU A 51 9.390 -15.116 5.558 1.00 0.00 O ATOM 0 H GLU A 51 7.226 -10.875 4.971 1.00 0.00 H new ATOM 0 HA GLU A 51 9.255 -10.800 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.741 -13.245 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.785 -13.179 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.750 -12.853 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.771 -12.651 5.218 1.00 0.00 H new ATOM 826 N ILE A 52 6.469 -9.925 2.685 1.00 0.00 N ATOM 827 CA ILE A 52 5.149 -9.636 2.131 1.00 0.00 C ATOM 828 C ILE A 52 5.153 -9.548 0.600 1.00 0.00 C ATOM 829 O ILE A 52 6.153 -9.178 -0.022 1.00 0.00 O ATOM 830 CB ILE A 52 4.622 -8.299 2.698 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.159 -8.072 2.336 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.432 -7.166 2.131 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.209 -9.127 2.840 1.00 0.00 C ATOM 0 H ILE A 52 6.822 -9.196 3.304 1.00 0.00 H new ATOM 0 HA ILE A 52 4.503 -10.465 2.419 1.00 0.00 H new ATOM 0 HB ILE A 52 4.711 -8.340 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.848 -7.105 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.073 -8.015 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.063 -6.220 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.479 -7.293 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.342 -7.162 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.193 -8.879 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.487 -10.096 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.258 -9.171 3.928 1.00 0.00 H new ATOM 845 N GLU A 53 4.027 -9.921 0.008 1.00 0.00 N ATOM 846 CA GLU A 53 3.768 -9.661 -1.393 1.00 0.00 C ATOM 847 C GLU A 53 2.303 -9.245 -1.546 1.00 0.00 C ATOM 848 O GLU A 53 1.409 -10.090 -1.608 1.00 0.00 O ATOM 849 CB GLU A 53 4.065 -10.914 -2.222 1.00 0.00 C ATOM 850 CG GLU A 53 4.294 -10.647 -3.700 1.00 0.00 C ATOM 851 CD GLU A 53 4.393 -11.926 -4.507 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.416 -12.282 -5.197 1.00 0.00 O ATOM 853 OE2 GLU A 53 5.444 -12.592 -4.444 1.00 0.00 O ATOM 0 H GLU A 53 3.272 -10.411 0.488 1.00 0.00 H new ATOM 0 HA GLU A 53 4.413 -8.860 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.948 -11.405 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.234 -11.611 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.478 -10.038 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.210 -10.069 -3.825 1.00 0.00 H new ATOM 860 N ILE A 54 2.063 -7.939 -1.593 1.00 0.00 N ATOM 861 CA ILE A 54 0.709 -7.404 -1.681 1.00 0.00 C ATOM 862 C ILE A 54 0.301 -7.288 -3.139 1.00 0.00 C ATOM 863 O ILE A 54 1.104 -6.898 -3.984 1.00 0.00 O ATOM 864 CB ILE A 54 0.591 -6.004 -1.014 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.984 -6.075 0.465 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.834 -5.463 -1.159 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.240 -4.721 1.093 1.00 0.00 C ATOM 0 H ILE A 54 2.794 -7.227 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 54 0.051 -8.092 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 54 1.276 -5.324 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.191 -6.578 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.880 -6.687 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.901 -4.483 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.084 -5.375 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.533 -6.146 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.513 -4.851 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.053 -4.223 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.338 -4.113 1.026 1.00 0.00 H new ATOM 879 N ASP A 55 -0.934 -7.635 -3.439 1.00 0.00 N ATOM 880 CA ASP A 55 -1.425 -7.489 -4.795 1.00 0.00 C ATOM 881 C ASP A 55 -2.488 -6.411 -4.861 1.00 0.00 C ATOM 882 O ASP A 55 -3.613 -6.591 -4.380 1.00 0.00 O ATOM 883 CB ASP A 55 -1.975 -8.797 -5.347 1.00 0.00 C ATOM 884 CG ASP A 55 -2.191 -8.702 -6.836 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.211 -8.873 -7.593 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.329 -8.435 -7.255 1.00 0.00 O ATOM 0 H ASP A 55 -1.608 -8.015 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.577 -7.198 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.283 -9.609 -5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.916 -9.038 -4.853 1.00 0.00 H new ATOM 891 N PHE A 56 -2.134 -5.300 -5.481 1.00 0.00 N ATOM 892 CA PHE A 56 -3.009 -4.141 -5.544 1.00 0.00 C ATOM 893 C PHE A 56 -4.242 -4.420 -6.394 1.00 0.00 C ATOM 894 O PHE A 56 -5.216 -3.668 -6.367 1.00 0.00 O ATOM 895 CB PHE A 56 -2.254 -2.940 -6.100 1.00 0.00 C ATOM 896 CG PHE A 56 -2.500 -1.719 -5.287 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.982 -1.629 -4.020 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.275 -0.683 -5.761 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.229 -0.532 -3.244 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.519 0.426 -4.978 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.991 0.484 -3.719 1.00 0.00 C ATOM 0 H PHE A 56 -1.238 -5.175 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.341 -3.919 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.186 -3.157 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.561 -2.761 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.373 -2.433 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.695 -0.740 -6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.816 -0.474 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.121 1.239 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.182 1.346 -3.097 1.00 0.00 H new ATOM 911 N GLU A 57 -4.203 -5.516 -7.127 1.00 0.00 N ATOM 912 CA GLU A 57 -5.281 -5.873 -8.022 1.00 0.00 C ATOM 913 C GLU A 57 -6.325 -6.720 -7.310 1.00 0.00 C ATOM 914 O GLU A 57 -7.425 -6.931 -7.819 1.00 0.00 O ATOM 915 CB GLU A 57 -4.719 -6.615 -9.234 1.00 0.00 C ATOM 916 CG GLU A 57 -3.727 -5.794 -10.039 1.00 0.00 C ATOM 917 CD GLU A 57 -4.369 -4.599 -10.710 1.00 0.00 C ATOM 918 OE1 GLU A 57 -4.823 -3.678 -10.002 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.410 -4.564 -11.956 1.00 0.00 O ATOM 0 H GLU A 57 -3.428 -6.179 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.771 -4.960 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.232 -7.530 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.543 -6.913 -9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.927 -5.451 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.267 -6.428 -10.797 1.00 0.00 H new ATOM 926 N THR A 58 -5.986 -7.180 -6.120 1.00 0.00 N ATOM 927 CA THR A 58 -6.873 -8.044 -5.368 1.00 0.00 C ATOM 928 C THR A 58 -7.525 -7.286 -4.224 1.00 0.00 C ATOM 929 O THR A 58 -8.587 -7.673 -3.736 1.00 0.00 O ATOM 930 CB THR A 58 -6.117 -9.263 -4.816 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.071 -8.837 -3.931 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.517 -10.075 -5.949 1.00 0.00 C ATOM 0 H THR A 58 -5.103 -6.969 -5.655 1.00 0.00 H new ATOM 0 HA THR A 58 -7.649 -8.391 -6.050 1.00 0.00 H new ATOM 0 HB THR A 58 -6.825 -9.885 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.703 -7.985 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.986 -10.934 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.312 -10.421 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.822 -9.454 -6.513 1.00 0.00 H new ATOM 940 N LEU A 59 -6.887 -6.199 -3.808 1.00 0.00 N ATOM 941 CA LEU A 59 -7.379 -5.412 -2.684 1.00 0.00 C ATOM 942 C LEU A 59 -8.724 -4.787 -3.014 1.00 0.00 C ATOM 943 O LEU A 59 -8.947 -4.320 -4.133 1.00 0.00 O ATOM 944 CB LEU A 59 -6.388 -4.306 -2.325 1.00 0.00 C ATOM 945 CG LEU A 59 -4.927 -4.745 -2.245 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.028 -3.561 -1.953 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.756 -5.804 -1.179 1.00 0.00 C ATOM 0 H LEU A 59 -6.030 -5.843 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.493 -6.084 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.472 -3.510 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.676 -3.879 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.642 -5.166 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.992 -3.895 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.131 -2.822 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.314 -3.113 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.710 -6.108 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.060 -5.400 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.375 -6.668 -1.422 1.00 0.00 H new ATOM 959 N LYS A 60 -9.618 -4.793 -2.043 1.00 0.00 N ATOM 960 CA LYS A 60 -10.910 -4.161 -2.196 1.00 0.00 C ATOM 961 C LYS A 60 -10.760 -2.640 -2.036 1.00 0.00 C ATOM 962 O LYS A 60 -9.898 -2.188 -1.275 1.00 0.00 O ATOM 963 CB LYS A 60 -11.885 -4.762 -1.177 1.00 0.00 C ATOM 964 CG LYS A 60 -11.659 -4.314 0.253 1.00 0.00 C ATOM 965 CD LYS A 60 -12.688 -4.927 1.190 1.00 0.00 C ATOM 966 CE LYS A 60 -12.711 -6.458 1.090 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.358 -7.050 1.248 1.00 0.00 N ATOM 0 H LYS A 60 -9.469 -5.233 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.314 -4.344 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.902 -4.501 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.810 -5.849 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.657 -4.600 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.714 -3.227 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.466 -4.633 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.676 -4.533 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.374 -6.861 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.124 -6.751 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.401 -8.071 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.702 -6.600 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.022 -6.894 2.220 1.00 0.00 H new ATOM 981 N PRO A 61 -11.553 -1.836 -2.796 1.00 0.00 N ATOM 982 CA PRO A 61 -11.491 -0.365 -2.787 1.00 0.00 C ATOM 983 C PRO A 61 -11.150 0.254 -1.432 1.00 0.00 C ATOM 984 O PRO A 61 -10.269 1.112 -1.342 1.00 0.00 O ATOM 985 CB PRO A 61 -12.906 0.033 -3.188 1.00 0.00 C ATOM 986 CG PRO A 61 -13.421 -1.087 -4.028 1.00 0.00 C ATOM 987 CD PRO A 61 -12.555 -2.300 -3.774 1.00 0.00 C ATOM 0 HA PRO A 61 -10.696 -0.011 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.534 0.183 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.906 0.971 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.460 -1.302 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.395 -0.815 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.140 -3.131 -3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.082 -2.650 -4.692 1.00 0.00 H new ATOM 995 N SER A 62 -11.845 -0.184 -0.392 1.00 0.00 N ATOM 996 CA SER A 62 -11.676 0.380 0.941 1.00 0.00 C ATOM 997 C SER A 62 -10.227 0.278 1.416 1.00 0.00 C ATOM 998 O SER A 62 -9.669 1.252 1.922 1.00 0.00 O ATOM 999 CB SER A 62 -12.619 -0.313 1.925 1.00 0.00 C ATOM 1000 OG SER A 62 -12.502 -1.721 1.826 1.00 0.00 O ATOM 0 H SER A 62 -12.536 -0.933 -0.446 1.00 0.00 H new ATOM 0 HA SER A 62 -11.928 1.440 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.389 0.005 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.647 -0.014 1.722 1.00 0.00 H new ATOM 0 HG SER A 62 -13.112 -2.146 2.465 1.00 0.00 H new ATOM 1006 N THR A 63 -9.612 -0.886 1.217 1.00 0.00 N ATOM 1007 CA THR A 63 -8.223 -1.095 1.617 1.00 0.00 C ATOM 1008 C THR A 63 -7.332 -0.121 0.877 1.00 0.00 C ATOM 1009 O THR A 63 -6.588 0.633 1.491 1.00 0.00 O ATOM 1010 CB THR A 63 -7.753 -2.540 1.321 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.818 -3.460 1.594 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.539 -2.915 2.159 1.00 0.00 C ATOM 0 H THR A 63 -10.053 -1.697 0.782 1.00 0.00 H new ATOM 0 HA THR A 63 -8.157 -0.930 2.692 1.00 0.00 H new ATOM 0 HB THR A 63 -7.472 -2.591 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.666 -4.292 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.237 -3.936 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.718 -2.233 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.791 -2.845 3.217 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.467 -0.107 -0.443 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.645 0.739 -1.303 1.00 0.00 C ATOM 1022 C LEU A 64 -6.761 2.202 -0.901 1.00 0.00 C ATOM 1023 O LEU A 64 -5.778 2.938 -0.895 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.083 0.562 -2.760 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.156 -0.881 -3.220 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.361 -1.062 -4.091 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.915 -1.258 -3.989 1.00 0.00 C ATOM 0 H LEU A 64 -8.145 -0.678 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.603 0.439 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.062 1.023 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.388 1.101 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.230 -1.526 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.417 -2.098 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.259 -0.813 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.285 -0.406 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.987 -2.297 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.819 -0.614 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.040 -1.136 -3.350 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.962 2.612 -0.543 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.203 3.993 -0.159 1.00 0.00 C ATOM 1041 C ARG A 65 -7.674 4.281 1.245 1.00 0.00 C ATOM 1042 O ARG A 65 -7.368 5.432 1.576 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.690 4.324 -0.258 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.235 4.237 -1.679 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.406 5.065 -2.652 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.115 5.317 -3.905 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.932 6.400 -4.665 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.122 7.375 -4.263 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.568 6.514 -5.823 1.00 0.00 N ATOM 0 H ARG A 65 -8.786 2.012 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.659 4.634 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.250 3.641 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.857 5.330 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.243 3.196 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.268 4.584 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.145 6.015 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.471 4.546 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.792 4.622 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.636 7.298 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.987 8.199 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.198 5.774 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.428 7.341 -6.403 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.557 3.244 2.069 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.981 3.395 3.396 1.00 0.00 C ATOM 1065 C GLU A 66 -5.473 3.506 3.279 1.00 0.00 C ATOM 1066 O GLU A 66 -4.845 4.360 3.907 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.345 2.195 4.269 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.791 2.177 4.733 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.154 3.395 5.553 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.884 4.267 5.038 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.707 3.490 6.719 1.00 0.00 O ATOM 0 H GLU A 66 -7.853 2.295 1.840 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.379 4.298 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.143 1.280 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.695 2.186 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.447 2.120 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.968 1.279 5.325 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.912 2.635 2.448 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.484 2.616 2.175 1.00 0.00 C ATOM 1080 C LEU A 67 -3.015 4.002 1.731 1.00 0.00 C ATOM 1081 O LEU A 67 -1.975 4.501 2.162 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.199 1.608 1.061 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.863 0.261 1.250 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.507 -0.683 0.120 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.494 -0.317 2.604 1.00 0.00 C ATOM 0 H LEU A 67 -5.438 1.921 1.944 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.950 2.332 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.528 2.031 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.121 1.461 0.988 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.944 0.396 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.997 -1.643 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.841 -0.259 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.427 -0.827 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.977 -1.286 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.413 -0.440 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.827 0.359 3.391 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.822 4.611 0.868 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.518 5.902 0.271 1.00 0.00 C ATOM 1099 C GLU A 68 -3.455 7.021 1.293 1.00 0.00 C ATOM 1100 O GLU A 68 -2.404 7.639 1.484 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.579 6.253 -0.753 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.292 7.545 -1.479 1.00 0.00 C ATOM 1103 CD GLU A 68 -4.933 8.763 -0.847 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.228 9.772 -0.644 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.141 8.718 -0.544 1.00 0.00 O ATOM 0 H GLU A 68 -4.712 4.217 0.562 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.536 5.809 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.657 5.444 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.546 6.329 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.213 7.695 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.640 7.457 -2.508 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.604 7.298 1.916 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.720 8.373 2.904 1.00 0.00 C ATOM 1114 C ARG A 69 -3.635 8.233 3.950 1.00 0.00 C ATOM 1115 O ARG A 69 -3.179 9.211 4.547 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.092 8.323 3.572 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.287 9.402 4.616 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.202 8.936 5.734 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.710 7.713 6.368 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.413 6.586 6.459 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.659 6.536 6.004 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.876 5.512 7.020 1.00 0.00 N ATOM 0 H ARG A 69 -5.472 6.788 1.752 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.606 9.331 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.864 8.421 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.227 7.347 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.320 9.687 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.708 10.292 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.290 9.723 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.202 8.762 5.336 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.770 7.724 6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.082 7.363 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.194 5.670 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.923 5.548 7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.415 4.649 7.089 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.200 7.008 4.126 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.158 6.708 5.071 1.00 0.00 C ATOM 1138 C TYR A 70 -0.800 7.196 4.563 1.00 0.00 C ATOM 1139 O TYR A 70 -0.137 7.988 5.220 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.100 5.207 5.347 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.758 4.784 5.828 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.004 3.931 5.069 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.226 5.292 7.007 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.257 3.585 5.459 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.035 4.941 7.415 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.779 4.090 6.636 1.00 0.00 C ATOM 1147 OH TYR A 70 3.044 3.753 7.031 1.00 0.00 O ATOM 0 H TYR A 70 -3.558 6.198 3.620 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.389 7.231 5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.852 4.945 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.349 4.661 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.398 3.530 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.812 5.971 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.846 2.915 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.438 5.329 8.338 1.00 0.00 H new ATOM 0 HH TYR A 70 3.367 3.002 6.490 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.377 6.718 3.403 1.00 0.00 N ATOM 1158 CA VAL A 71 0.954 7.044 2.907 1.00 0.00 C ATOM 1159 C VAL A 71 1.081 8.511 2.594 1.00 0.00 C ATOM 1160 O VAL A 71 2.120 9.110 2.842 1.00 0.00 O ATOM 1161 CB VAL A 71 1.334 6.237 1.667 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.329 4.777 2.006 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.381 6.490 0.515 1.00 0.00 C ATOM 0 H VAL A 71 -0.926 6.111 2.794 1.00 0.00 H new ATOM 0 HA VAL A 71 1.641 6.781 3.711 1.00 0.00 H new ATOM 0 HB VAL A 71 2.329 6.552 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.600 4.198 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.050 4.586 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.334 4.485 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.687 5.897 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.630 6.207 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.400 7.548 0.253 1.00 0.00 H new ATOM 1173 N THR A 72 0.021 9.098 2.077 1.00 0.00 N ATOM 1174 CA THR A 72 0.043 10.504 1.772 1.00 0.00 C ATOM 1175 C THR A 72 0.206 11.291 3.075 1.00 0.00 C ATOM 1176 O THR A 72 0.766 12.374 3.084 1.00 0.00 O ATOM 1177 CB THR A 72 -1.231 10.943 1.004 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.037 12.231 0.409 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.439 10.992 1.921 1.00 0.00 C ATOM 0 H THR A 72 -0.856 8.624 1.863 1.00 0.00 H new ATOM 0 HA THR A 72 0.888 10.712 1.115 1.00 0.00 H new ATOM 0 HB THR A 72 -1.414 10.204 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.848 12.494 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.315 11.303 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.614 10.003 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.257 11.705 2.725 1.00 0.00 H new ATOM 1187 N SER A 73 -0.222 10.701 4.193 1.00 0.00 N ATOM 1188 CA SER A 73 -0.076 11.349 5.482 1.00 0.00 C ATOM 1189 C SER A 73 1.388 11.303 5.924 1.00 0.00 C ATOM 1190 O SER A 73 1.861 12.172 6.656 1.00 0.00 O ATOM 1191 CB SER A 73 -0.980 10.674 6.518 1.00 0.00 C ATOM 1192 OG SER A 73 -0.337 9.589 7.166 1.00 0.00 O ATOM 0 H SER A 73 -0.668 9.784 4.225 1.00 0.00 H new ATOM 0 HA SER A 73 -0.379 12.393 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.288 11.408 7.262 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.886 10.317 6.029 1.00 0.00 H new ATOM 0 HG SER A 73 -0.400 8.788 6.604 1.00 0.00 H new ATOM 1198 N CYS A 74 2.099 10.284 5.446 1.00 0.00 N ATOM 1199 CA CYS A 74 3.500 10.087 5.782 1.00 0.00 C ATOM 1200 C CYS A 74 4.402 10.879 4.845 1.00 0.00 C ATOM 1201 O CYS A 74 5.406 11.455 5.260 1.00 0.00 O ATOM 1202 CB CYS A 74 3.838 8.598 5.704 1.00 0.00 C ATOM 1203 SG CYS A 74 5.531 8.188 6.186 1.00 0.00 S ATOM 0 H CYS A 74 1.719 9.576 4.818 1.00 0.00 H new ATOM 0 HA CYS A 74 3.670 10.447 6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.148 8.048 6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.670 8.253 4.684 1.00 0.00 H new ATOM 0 HG CYS A 74 6.285 9.239 6.059 1.00 0.00 H new ATOM 1209 N LEU A 75 4.033 10.891 3.579 1.00 0.00 N ATOM 1210 CA LEU A 75 4.820 11.558 2.546 1.00 0.00 C ATOM 1211 C LEU A 75 4.590 13.074 2.530 1.00 0.00 C ATOM 1212 O LEU A 75 5.533 13.838 2.311 1.00 0.00 O ATOM 1213 CB LEU A 75 4.488 10.950 1.184 1.00 0.00 C ATOM 1214 CG LEU A 75 4.510 9.425 1.167 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.958 8.895 -0.152 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.913 8.893 1.415 1.00 0.00 C ATOM 0 H LEU A 75 3.185 10.443 3.233 1.00 0.00 H new ATOM 0 HA LEU A 75 5.875 11.402 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.501 11.293 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.200 11.322 0.447 1.00 0.00 H new ATOM 0 HG LEU A 75 3.871 9.071 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.982 7.805 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.930 9.235 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.567 9.266 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.897 7.803 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.584 9.259 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.265 9.235 2.388 1.00 0.00 H new ATOM 1228 N ARG A 76 3.346 13.516 2.740 1.00 0.00 N ATOM 1229 CA ARG A 76 3.057 14.946 2.802 1.00 0.00 C ATOM 1230 C ARG A 76 3.684 15.563 4.046 1.00 0.00 C ATOM 1231 O ARG A 76 4.208 16.678 4.008 1.00 0.00 O ATOM 1232 CB ARG A 76 1.554 15.237 2.797 1.00 0.00 C ATOM 1233 CG ARG A 76 0.823 14.789 1.540 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.576 15.380 1.477 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.554 16.837 1.354 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.556 17.633 1.726 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.651 17.120 2.282 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.462 18.945 1.546 1.00 0.00 N ATOM 0 H ARG A 76 2.535 12.911 2.868 1.00 0.00 H new ATOM 0 HA ARG A 76 3.490 15.392 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.100 14.747 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.405 16.309 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.389 15.093 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.762 13.701 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.111 14.953 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.127 15.101 2.375 1.00 0.00 H new ATOM 0 HE ARG A 76 0.280 17.271 0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.726 16.113 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.415 17.734 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.623 19.343 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.228 19.555 1.830 1.00 0.00 H new ATOM 1409 N TRP B 202 3.117 -4.809 -8.885 1.00 0.00 N ATOM 1410 CA TRP B 202 3.558 -4.505 -7.534 1.00 0.00 C ATOM 1411 C TRP B 202 3.755 -5.801 -6.759 1.00 0.00 C ATOM 1412 O TRP B 202 3.441 -5.904 -5.575 1.00 0.00 O ATOM 1413 CB TRP B 202 2.542 -3.598 -6.839 1.00 0.00 C ATOM 1414 CG TRP B 202 3.045 -2.998 -5.563 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.273 -2.444 -5.344 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.325 -2.875 -4.336 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.360 -1.985 -4.054 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.177 -2.237 -3.415 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.041 -3.241 -3.928 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.788 -1.957 -2.111 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.658 -2.959 -2.630 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.527 -2.324 -1.737 1.00 0.00 C ATOM 0 HA TRP B 202 4.510 -3.975 -7.572 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.258 -2.796 -7.520 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.639 -4.172 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.061 -2.377 -6.079 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.173 -1.530 -3.639 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.363 -3.733 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.458 -1.468 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.332 -3.235 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.194 -2.120 -0.730 1.00 0.00 H new ATOM 1433 N THR B 203 4.276 -6.792 -7.452 1.00 0.00 N ATOM 1434 CA THR B 203 4.541 -8.084 -6.861 1.00 0.00 C ATOM 1435 C THR B 203 5.872 -8.066 -6.112 1.00 0.00 C ATOM 1436 O THR B 203 6.415 -6.991 -5.828 1.00 0.00 O ATOM 1437 CB THR B 203 4.526 -9.187 -7.934 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.730 -8.605 -9.228 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.209 -9.946 -7.915 1.00 0.00 C ATOM 0 H THR B 203 4.527 -6.723 -8.438 1.00 0.00 H new ATOM 0 HA THR B 203 3.751 -8.304 -6.143 1.00 0.00 H new ATOM 0 HB THR B 203 5.331 -9.889 -7.717 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.722 -9.310 -9.909 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.224 -10.720 -8.683 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.069 -10.407 -6.937 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.388 -9.256 -8.111 1.00 0.00 H new ATOM 1447 N LEU B 204 6.373 -9.250 -5.769 1.00 0.00 N ATOM 1448 CA LEU B 204 7.567 -9.393 -4.938 1.00 0.00 C ATOM 1449 C LEU B 204 8.717 -8.487 -5.381 1.00 0.00 C ATOM 1450 O LEU B 204 9.447 -7.976 -4.539 1.00 0.00 O ATOM 1451 CB LEU B 204 8.046 -10.854 -4.903 1.00 0.00 C ATOM 1452 CG LEU B 204 8.659 -11.408 -6.197 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.347 -12.733 -5.921 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.605 -11.591 -7.280 1.00 0.00 C ATOM 0 H LEU B 204 5.963 -10.138 -6.059 1.00 0.00 H new ATOM 0 HA LEU B 204 7.271 -9.081 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.785 -10.951 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.199 -11.484 -4.630 1.00 0.00 H new ATOM 0 HG LEU B 204 9.390 -10.684 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.779 -13.118 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.137 -12.586 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.620 -13.447 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.074 -11.985 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.844 -12.290 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.141 -10.630 -7.502 1.00 0.00 H new ATOM 1466 N GLU B 205 8.875 -8.269 -6.681 1.00 0.00 N ATOM 1467 CA GLU B 205 9.994 -7.477 -7.169 1.00 0.00 C ATOM 1468 C GLU B 205 9.943 -6.052 -6.605 1.00 0.00 C ATOM 1469 O GLU B 205 10.841 -5.642 -5.874 1.00 0.00 O ATOM 1470 CB GLU B 205 10.073 -7.486 -8.712 1.00 0.00 C ATOM 1471 CG GLU B 205 8.959 -6.748 -9.451 1.00 0.00 C ATOM 1472 CD GLU B 205 7.580 -7.322 -9.213 1.00 0.00 C ATOM 1473 OE1 GLU B 205 6.603 -6.549 -9.238 1.00 0.00 O ATOM 1474 OE2 GLU B 205 7.462 -8.543 -8.996 1.00 0.00 O ATOM 0 H GLU B 205 8.252 -8.624 -7.406 1.00 0.00 H new ATOM 0 HA GLU B 205 10.912 -7.941 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU B 205 11.027 -7.050 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.078 -8.523 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU B 205 8.964 -5.702 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU B 205 9.170 -6.768 -10.520 1.00 0.00 H new ATOM 1481 N ARG B 206 8.873 -5.321 -6.878 1.00 0.00 N ATOM 1482 CA ARG B 206 8.784 -3.937 -6.439 1.00 0.00 C ATOM 1483 C ARG B 206 8.641 -3.859 -4.920 1.00 0.00 C ATOM 1484 O ARG B 206 9.448 -3.217 -4.241 1.00 0.00 O ATOM 1485 CB ARG B 206 7.612 -3.228 -7.126 1.00 0.00 C ATOM 1486 CG ARG B 206 7.485 -1.752 -6.762 1.00 0.00 C ATOM 1487 CD ARG B 206 8.695 -0.947 -7.214 1.00 0.00 C ATOM 1488 NE ARG B 206 8.600 0.456 -6.805 1.00 0.00 N ATOM 1489 CZ ARG B 206 9.423 1.421 -7.222 1.00 0.00 C ATOM 1490 NH1 ARG B 206 10.392 1.149 -8.084 1.00 0.00 N ATOM 1491 NH2 ARG B 206 9.268 2.662 -6.775 1.00 0.00 N ATOM 0 H ARG B 206 8.062 -5.659 -7.396 1.00 0.00 H new ATOM 0 HA ARG B 206 9.707 -3.430 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG B 206 7.729 -3.317 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.686 -3.738 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.585 -1.342 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG B 206 7.367 -1.654 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG B 206 9.601 -1.387 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG B 206 8.784 -1.004 -8.299 1.00 0.00 H new ATOM 0 HE ARG B 206 7.855 0.713 -6.158 1.00 0.00 H new ATOM 0 HH11 ARG B 206 10.512 0.198 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG B 206 11.018 1.891 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.521 2.877 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG B 206 9.896 3.401 -7.092 1.00 0.00 H new ATOM 1505 N LEU B 207 7.634 -4.541 -4.387 1.00 0.00 N ATOM 1506 CA LEU B 207 7.339 -4.455 -2.965 1.00 0.00 C ATOM 1507 C LEU B 207 8.421 -5.122 -2.132 1.00 0.00 C ATOM 1508 O LEU B 207 9.127 -4.453 -1.388 1.00 0.00 O ATOM 1509 CB LEU B 207 5.980 -5.082 -2.648 1.00 0.00 C ATOM 1510 CG LEU B 207 5.586 -5.081 -1.164 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.634 -3.679 -0.580 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.201 -5.663 -1.001 1.00 0.00 C ATOM 0 H LEU B 207 7.013 -5.155 -4.915 1.00 0.00 H new ATOM 0 HA LEU B 207 7.308 -3.397 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.213 -4.550 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.981 -6.112 -3.006 1.00 0.00 H new ATOM 0 HG LEU B 207 6.305 -5.695 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.350 -3.713 0.472 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.645 -3.282 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.942 -3.035 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.927 -5.660 0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.486 -5.063 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.190 -6.687 -1.376 1.00 0.00 H new ATOM 1524 N LYS B 208 8.568 -6.432 -2.282 1.00 0.00 N ATOM 1525 CA LYS B 208 9.429 -7.209 -1.398 1.00 0.00 C ATOM 1526 C LYS B 208 10.891 -6.775 -1.496 1.00 0.00 C ATOM 1527 O LYS B 208 11.593 -6.754 -0.489 1.00 0.00 O ATOM 1528 CB LYS B 208 9.294 -8.709 -1.688 1.00 0.00 C ATOM 1529 CG LYS B 208 10.123 -9.589 -0.764 1.00 0.00 C ATOM 1530 CD LYS B 208 9.969 -11.068 -1.092 1.00 0.00 C ATOM 1531 CE LYS B 208 8.539 -11.544 -0.894 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.422 -13.020 -1.011 1.00 0.00 N ATOM 0 H LYS B 208 8.103 -6.979 -3.007 1.00 0.00 H new ATOM 0 HA LYS B 208 9.098 -7.018 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.245 -8.994 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.592 -8.899 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.173 -9.308 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.822 -9.414 0.269 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.271 -11.245 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.637 -11.652 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.185 -11.229 0.088 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.893 -11.070 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.431 -13.302 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 8.735 -13.319 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.018 -13.474 -0.289 1.00 0.00 H new ATOM 1546 N ARG B 209 11.352 -6.405 -2.690 1.00 0.00 N ATOM 1547 CA ARG B 209 12.754 -6.028 -2.847 1.00 0.00 C ATOM 1548 C ARG B 209 13.030 -4.664 -2.214 1.00 0.00 C ATOM 1549 O ARG B 209 14.101 -4.447 -1.647 1.00 0.00 O ATOM 1550 CB ARG B 209 13.169 -6.028 -4.319 1.00 0.00 C ATOM 1551 CG ARG B 209 13.493 -7.407 -4.896 1.00 0.00 C ATOM 1552 CD ARG B 209 12.410 -8.445 -4.614 1.00 0.00 C ATOM 1553 NE ARG B 209 12.562 -9.632 -5.456 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.610 -10.881 -4.994 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.574 -11.114 -3.689 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.711 -11.898 -5.838 1.00 0.00 N ATOM 0 H ARG B 209 10.792 -6.359 -3.541 1.00 0.00 H new ATOM 0 HA ARG B 209 13.353 -6.776 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.367 -5.583 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.043 -5.387 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.632 -7.320 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.438 -7.755 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.450 -8.736 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.429 -8.002 -4.784 1.00 0.00 H new ATOM 0 HE ARG B 209 12.636 -9.494 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.509 -10.335 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.611 -12.072 -3.341 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.752 -11.725 -6.842 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.748 -12.854 -5.483 1.00 0.00 H new ATOM 1570 N LYS B 210 12.070 -3.744 -2.302 1.00 0.00 N ATOM 1571 CA LYS B 210 12.218 -2.448 -1.643 1.00 0.00 C ATOM 1572 C LYS B 210 11.972 -2.586 -0.146 1.00 0.00 C ATOM 1573 O LYS B 210 12.677 -1.997 0.670 1.00 0.00 O ATOM 1574 CB LYS B 210 11.253 -1.414 -2.228 1.00 0.00 C ATOM 1575 CG LYS B 210 11.394 -0.030 -1.606 1.00 0.00 C ATOM 1576 CD LYS B 210 12.742 0.598 -1.933 1.00 0.00 C ATOM 1577 CE LYS B 210 12.922 1.948 -1.254 1.00 0.00 C ATOM 1578 NZ LYS B 210 11.867 2.924 -1.636 1.00 0.00 N ATOM 0 H LYS B 210 11.196 -3.868 -2.814 1.00 0.00 H new ATOM 0 HA LYS B 210 13.238 -2.103 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.421 -1.339 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.230 -1.764 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.594 0.615 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.279 -0.103 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.541 -0.075 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.833 0.720 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS B 210 12.911 1.811 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.899 2.354 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 12.108 3.862 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 11.801 2.976 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 10.953 2.618 -1.246 1.00 0.00 H new ATOM 1592 N TYR B 211 10.969 -3.379 0.199 1.00 0.00 N ATOM 1593 CA TYR B 211 10.579 -3.603 1.587 1.00 0.00 C ATOM 1594 C TYR B 211 11.725 -4.246 2.368 1.00 0.00 C ATOM 1595 O TYR B 211 11.895 -4.002 3.565 1.00 0.00 O ATOM 1596 CB TYR B 211 9.333 -4.500 1.610 1.00 0.00 C ATOM 1597 CG TYR B 211 8.635 -4.606 2.948 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.373 -4.057 3.128 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.229 -5.249 4.025 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.728 -4.145 4.347 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.589 -5.341 5.243 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.341 -4.785 5.400 1.00 0.00 C ATOM 1603 OH TYR B 211 6.707 -4.864 6.617 1.00 0.00 O ATOM 0 H TYR B 211 10.399 -3.888 -0.477 1.00 0.00 H new ATOM 0 HA TYR B 211 10.349 -2.650 2.063 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.621 -4.122 0.876 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.621 -5.501 1.289 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.888 -3.554 2.304 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.210 -5.685 3.907 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.746 -3.713 4.473 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.065 -5.847 6.070 1.00 0.00 H new ATOM 0 HH TYR B 211 6.453 -5.794 6.794 1.00 0.00 H new