USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 760 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 70 CYS SG : rot 84:sc= 0.166 USER MOD Set 1.2: A 87 CYS SG : rot -151:sc= 0.607 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -157:sc= 0.0546 (180deg=0) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.0526 K(o=0.11,f=-0.44) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00519 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -22:sc= 0.129 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 83:sc= 0.9 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 0.0618 (180deg=0) USER MOD Single : A 73 CYS SG : rot 151:sc= -0.144 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 9 5.617 -4.546 -13.970 1.00 1.00 N ATOM 129 CA SER A 9 4.542 -5.168 -14.790 1.00 1.00 C ATOM 130 C SER A 9 3.146 -4.558 -14.543 1.00 1.00 C ATOM 131 O SER A 9 2.293 -4.565 -15.452 1.00 1.00 O ATOM 132 CB SER A 9 4.493 -6.649 -14.547 1.00 1.00 C ATOM 133 OG SER A 9 5.527 -7.306 -15.247 1.00 1.00 O ATOM 0 HA SER A 9 4.798 -4.962 -15.829 1.00 1.00 H new ATOM 0 HB2 SER A 9 4.585 -6.850 -13.480 1.00 1.00 H new ATOM 0 HB3 SER A 9 3.527 -7.042 -14.863 1.00 1.00 H new ATOM 0 HG SER A 9 5.478 -8.269 -15.074 1.00 1.00 H new ATOM 139 N ALA A 10 2.973 -3.951 -13.320 1.00 1.00 N ATOM 140 CA ALA A 10 1.722 -3.290 -12.910 1.00 1.00 C ATOM 141 C ALA A 10 1.513 -1.902 -13.552 1.00 1.00 C ATOM 142 O ALA A 10 0.368 -1.490 -13.784 1.00 1.00 O ATOM 143 CB ALA A 10 1.659 -3.188 -11.415 1.00 1.00 C ATOM 0 H ALA A 10 3.703 -3.917 -12.609 1.00 1.00 H new ATOM 0 HA ALA A 10 0.909 -3.917 -13.276 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.730 -2.698 -11.123 1.00 1.00 H new ATOM 0 HB2 ALA A 10 1.695 -4.187 -10.980 1.00 1.00 H new ATOM 0 HB3 ALA A 10 2.506 -2.605 -11.054 1.00 1.00 H new ATOM 149 N THR A 11 2.650 -1.254 -13.927 1.00 1.00 N ATOM 150 CA THR A 11 2.669 0.092 -14.570 1.00 1.00 C ATOM 151 C THR A 11 2.388 0.045 -16.078 1.00 1.00 C ATOM 152 O THR A 11 1.660 0.896 -16.590 1.00 1.00 O ATOM 153 CB THR A 11 3.999 0.836 -14.328 1.00 1.00 C ATOM 154 OG1 THR A 11 5.133 -0.041 -14.539 1.00 1.00 O ATOM 155 CG2 THR A 11 4.049 1.430 -12.930 1.00 1.00 C ATOM 0 H THR A 11 3.580 -1.650 -13.792 1.00 1.00 H new ATOM 0 HA THR A 11 1.859 0.640 -14.090 1.00 1.00 H new ATOM 0 HB THR A 11 4.053 1.651 -15.050 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.964 0.455 -14.381 1.00 1.00 H new ATOM 0 HG21 THR A 11 4.998 1.948 -12.788 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.228 2.136 -12.805 1.00 1.00 H new ATOM 0 HG23 THR A 11 3.957 0.633 -12.192 1.00 1.00 H new ATOM 163 N ARG A 12 2.962 -1.055 -16.710 1.00 1.00 N ATOM 164 CA ARG A 12 2.766 -1.305 -18.169 1.00 1.00 C ATOM 165 C ARG A 12 1.297 -1.551 -18.529 1.00 1.00 C ATOM 166 O ARG A 12 0.790 -0.955 -19.483 1.00 1.00 O ATOM 167 CB ARG A 12 3.601 -2.458 -18.638 1.00 1.00 C ATOM 168 CG ARG A 12 4.913 -2.040 -19.215 1.00 1.00 C ATOM 169 CD ARG A 12 6.015 -2.849 -18.640 1.00 1.00 C ATOM 170 NE ARG A 12 7.305 -2.160 -18.742 1.00 1.00 N ATOM 171 CZ ARG A 12 8.473 -2.688 -18.349 1.00 1.00 C ATOM 172 NH1 ARG A 12 8.571 -3.981 -18.096 1.00 1.00 N ATOM 173 NH2 ARG A 12 9.520 -1.922 -18.259 1.00 1.00 N ATOM 0 H ARG A 12 3.540 -1.749 -16.236 1.00 1.00 H new ATOM 0 HA ARG A 12 3.088 -0.398 -18.680 1.00 1.00 H new ATOM 0 HB2 ARG A 12 3.779 -3.133 -17.801 1.00 1.00 H new ATOM 0 HB3 ARG A 12 3.044 -3.020 -19.388 1.00 1.00 H new ATOM 0 HG2 ARG A 12 4.895 -2.158 -20.298 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.086 -0.983 -19.012 1.00 1.00 H new ATOM 0 HD2 ARG A 12 5.800 -3.065 -17.594 1.00 1.00 H new ATOM 0 HD3 ARG A 12 6.072 -3.806 -19.158 1.00 1.00 H new ATOM 0 HE ARG A 12 7.315 -1.220 -19.137 1.00 1.00 H new ATOM 0 HH11 ARG A 12 7.755 -4.584 -18.199 1.00 1.00 H new ATOM 0 HH12 ARG A 12 9.463 -4.376 -17.797 1.00 1.00 H new ATOM 0 HH21 ARG A 12 9.447 -0.930 -18.486 1.00 1.00 H new ATOM 0 HH22 ARG A 12 10.414 -2.313 -17.961 1.00 1.00 H new ATOM 187 N ARG A 13 0.593 -2.296 -17.596 1.00 1.00 N ATOM 188 CA ARG A 13 -0.847 -2.557 -17.690 1.00 1.00 C ATOM 189 C ARG A 13 -1.694 -1.299 -17.429 1.00 1.00 C ATOM 190 O ARG A 13 -2.669 -1.070 -18.147 1.00 1.00 O ATOM 191 CB ARG A 13 -1.240 -3.676 -16.782 1.00 1.00 C ATOM 192 CG ARG A 13 -1.265 -4.996 -17.500 1.00 1.00 C ATOM 193 CD ARG A 13 -0.843 -6.100 -16.613 1.00 1.00 C ATOM 194 NE ARG A 13 -1.988 -6.811 -16.058 1.00 1.00 N ATOM 195 CZ ARG A 13 -1.953 -7.499 -14.912 1.00 1.00 C ATOM 196 NH1 ARG A 13 -0.833 -7.588 -14.213 1.00 1.00 N ATOM 197 NH2 ARG A 13 -3.028 -8.078 -14.491 1.00 1.00 N ATOM 0 H ARG A 13 1.030 -2.716 -16.776 1.00 1.00 H new ATOM 0 HA ARG A 13 -1.053 -2.858 -18.717 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -0.541 -3.729 -15.948 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -2.224 -3.473 -16.360 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -2.271 -5.190 -17.872 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.607 -4.952 -18.368 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -0.217 -6.797 -17.171 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -0.233 -5.703 -15.802 1.00 1.00 H new ATOM 0 HE ARG A 13 -2.867 -6.782 -16.574 1.00 1.00 H new ATOM 0 HH11 ARG A 13 0.015 -7.129 -14.547 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -0.817 -8.115 -13.340 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -3.890 -8.007 -15.031 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -3.015 -8.606 -13.618 1.00 1.00 H new ATOM 211 N GLU A 14 -1.182 -0.465 -16.458 1.00 1.00 N ATOM 212 CA GLU A 14 -1.792 0.835 -16.115 1.00 1.00 C ATOM 213 C GLU A 14 -1.713 1.839 -17.279 1.00 1.00 C ATOM 214 O GLU A 14 -2.666 2.581 -17.508 1.00 1.00 O ATOM 215 CB GLU A 14 -1.185 1.425 -14.878 1.00 1.00 C ATOM 216 CG GLU A 14 -1.909 1.055 -13.605 1.00 1.00 C ATOM 217 CD GLU A 14 -1.246 1.648 -12.383 1.00 1.00 C ATOM 218 OE1 GLU A 14 -0.338 0.996 -11.824 1.00 1.00 O ATOM 219 OE2 GLU A 14 -1.626 2.771 -11.991 1.00 1.00 O ATOM 0 H GLU A 14 -0.350 -0.687 -15.911 1.00 1.00 H new ATOM 0 HA GLU A 14 -2.845 0.635 -15.917 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -0.148 1.098 -14.803 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.171 2.511 -14.974 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -2.941 1.401 -13.661 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -1.942 -0.030 -13.509 1.00 1.00 H new ATOM 226 N LYS A 15 -0.581 1.756 -18.066 1.00 1.00 N ATOM 227 CA LYS A 15 -0.336 2.596 -19.252 1.00 1.00 C ATOM 228 C LYS A 15 -1.299 2.298 -20.405 1.00 1.00 C ATOM 229 O LYS A 15 -1.675 3.213 -21.155 1.00 1.00 O ATOM 230 CB LYS A 15 1.081 2.467 -19.719 1.00 1.00 C ATOM 231 CG LYS A 15 1.966 3.577 -19.222 1.00 1.00 C ATOM 232 CD LYS A 15 3.406 3.318 -19.598 1.00 1.00 C ATOM 233 CE LYS A 15 4.322 4.416 -19.089 1.00 1.00 C ATOM 234 NZ LYS A 15 5.750 4.124 -19.384 1.00 1.00 N ATOM 0 H LYS A 15 0.174 1.097 -17.877 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.519 3.624 -18.938 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.483 1.511 -19.383 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.099 2.455 -20.809 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.639 4.527 -19.645 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.877 3.663 -18.139 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.723 2.359 -19.188 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.492 3.245 -20.682 1.00 1.00 H new ATOM 0 HE2 LYS A 15 4.043 5.364 -19.548 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.189 4.531 -18.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 6.344 4.896 -19.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.024 3.232 -18.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.882 4.039 -20.412 1.00 1.00 H new ATOM 248 N ILE A 16 -1.742 1.002 -20.484 1.00 1.00 N ATOM 249 CA ILE A 16 -2.721 0.546 -21.490 1.00 1.00 C ATOM 250 C ILE A 16 -4.109 1.189 -21.260 1.00 1.00 C ATOM 251 O ILE A 16 -4.693 1.697 -22.186 1.00 1.00 O ATOM 252 CB ILE A 16 -2.808 -1.014 -21.566 1.00 1.00 C ATOM 253 CG1 ILE A 16 -1.480 -1.590 -22.080 1.00 1.00 C ATOM 254 CG2 ILE A 16 -3.979 -1.452 -22.474 1.00 1.00 C ATOM 255 CD1 ILE A 16 -1.018 -2.812 -21.317 1.00 1.00 C ATOM 0 H ILE A 16 -1.426 0.264 -19.854 1.00 1.00 H new ATOM 0 HA ILE A 16 -2.361 0.885 -22.461 1.00 1.00 H new ATOM 0 HB ILE A 16 -2.994 -1.402 -20.565 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -1.588 -1.848 -23.133 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -0.711 -0.820 -22.018 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -4.022 -2.540 -22.513 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -4.916 -1.066 -22.071 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -3.827 -1.059 -23.479 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -0.075 -3.166 -21.733 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -0.877 -2.554 -20.267 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -1.769 -3.598 -21.400 1.00 1.00 H new ATOM 267 N ILE A 17 -4.561 1.139 -20.018 1.00 1.00 N ATOM 268 CA ILE A 17 -5.860 1.689 -19.589 1.00 1.00 C ATOM 269 C ILE A 17 -5.865 3.254 -19.435 1.00 1.00 C ATOM 270 O ILE A 17 -6.825 3.835 -18.919 1.00 1.00 O ATOM 271 CB ILE A 17 -6.378 0.982 -18.282 1.00 1.00 C ATOM 272 CG1 ILE A 17 -5.234 0.704 -17.279 1.00 1.00 C ATOM 273 CG2 ILE A 17 -7.113 -0.297 -18.637 1.00 1.00 C ATOM 274 CD1 ILE A 17 -5.337 1.509 -16.024 1.00 1.00 C ATOM 0 H ILE A 17 -4.035 0.710 -19.257 1.00 1.00 H new ATOM 0 HA ILE A 17 -6.556 1.470 -20.398 1.00 1.00 H new ATOM 0 HB ILE A 17 -7.072 1.663 -17.788 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -5.234 -0.356 -17.023 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.279 0.916 -17.760 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -7.467 -0.778 -17.725 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -7.963 -0.062 -19.277 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -6.437 -0.971 -19.164 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -4.504 1.265 -15.365 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -5.306 2.571 -16.269 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -6.276 1.280 -15.521 1.00 1.00 H new ATOM 286 N GLU A 18 -4.656 3.851 -19.703 1.00 1.00 N ATOM 287 CA GLU A 18 -4.433 5.288 -19.551 1.00 1.00 C ATOM 288 C GLU A 18 -4.439 6.051 -20.885 1.00 1.00 C ATOM 289 O GLU A 18 -4.991 7.167 -20.929 1.00 1.00 O ATOM 290 CB GLU A 18 -3.150 5.525 -18.804 1.00 1.00 C ATOM 291 CG GLU A 18 -3.343 5.684 -17.313 1.00 1.00 C ATOM 292 CD GLU A 18 -2.049 5.996 -16.606 1.00 1.00 C ATOM 293 OE1 GLU A 18 -1.340 5.043 -16.206 1.00 1.00 O ATOM 294 OE2 GLU A 18 -1.737 7.193 -16.450 1.00 1.00 O ATOM 0 H GLU A 18 -3.835 3.337 -20.024 1.00 1.00 H new ATOM 0 HA GLU A 18 -5.272 5.684 -18.979 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.472 4.692 -18.988 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.669 6.420 -19.198 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -4.061 6.482 -17.123 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.768 4.768 -16.903 1.00 1.00 H new ATOM 301 N LEU A 19 -3.771 5.469 -21.922 1.00 1.00 N ATOM 302 CA LEU A 19 -3.688 6.079 -23.248 1.00 1.00 C ATOM 303 C LEU A 19 -4.841 5.684 -24.173 1.00 1.00 C ATOM 304 O LEU A 19 -5.246 6.487 -25.038 1.00 1.00 O ATOM 305 CB LEU A 19 -2.368 5.744 -23.899 1.00 1.00 C ATOM 306 CG LEU A 19 -1.547 6.948 -24.361 1.00 1.00 C ATOM 307 CD1 LEU A 19 -0.185 6.951 -23.690 1.00 1.00 C ATOM 308 CD2 LEU A 19 -1.383 6.941 -25.873 1.00 1.00 C ATOM 0 H LEU A 19 -3.286 4.575 -21.847 1.00 1.00 H new ATOM 0 HA LEU A 19 -3.765 7.155 -23.093 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -1.770 5.165 -23.195 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.558 5.102 -24.759 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.083 7.853 -24.075 1.00 1.00 H new ATOM 0 HD11 LEU A 19 0.386 7.815 -24.030 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -0.312 7.003 -22.609 1.00 1.00 H new ATOM 0 HD13 LEU A 19 0.350 6.037 -23.949 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -0.796 7.807 -26.179 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -0.871 6.029 -26.179 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.364 6.983 -26.346 1.00 1.00 H new ATOM 320 N LEU A 20 -5.440 4.464 -23.897 1.00 1.00 N ATOM 321 CA LEU A 20 -6.528 3.882 -24.696 1.00 1.00 C ATOM 322 C LEU A 20 -7.903 4.492 -24.406 1.00 1.00 C ATOM 323 O LEU A 20 -8.857 4.304 -25.203 1.00 1.00 O ATOM 324 CB LEU A 20 -6.580 2.404 -24.489 1.00 1.00 C ATOM 325 CG LEU A 20 -6.397 1.551 -25.734 1.00 1.00 C ATOM 326 CD1 LEU A 20 -5.177 0.663 -25.576 1.00 1.00 C ATOM 327 CD2 LEU A 20 -7.626 0.697 -25.991 1.00 1.00 C ATOM 0 H LEU A 20 -5.162 3.879 -23.109 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.299 4.115 -25.736 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -5.809 2.130 -23.769 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.541 2.153 -24.039 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.255 2.215 -26.587 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.052 0.054 -26.472 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -4.292 1.283 -25.432 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.310 0.013 -24.711 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.471 0.096 -26.887 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.797 0.040 -25.138 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -8.494 1.341 -26.132 1.00 1.00 H new ATOM 339 N LEU A 21 -7.994 5.357 -23.296 1.00 1.00 N ATOM 340 CA LEU A 21 -9.212 6.051 -22.890 1.00 1.00 C ATOM 341 C LEU A 21 -9.376 7.408 -23.608 1.00 1.00 C ATOM 342 O LEU A 21 -10.456 8.023 -23.556 1.00 1.00 O ATOM 343 CB LEU A 21 -9.218 6.216 -21.387 1.00 1.00 C ATOM 344 CG LEU A 21 -10.358 5.509 -20.664 1.00 1.00 C ATOM 345 CD1 LEU A 21 -9.812 4.511 -19.661 1.00 1.00 C ATOM 346 CD2 LEU A 21 -11.256 6.527 -19.973 1.00 1.00 C ATOM 0 H LEU A 21 -7.198 5.559 -22.691 1.00 1.00 H new ATOM 0 HA LEU A 21 -10.068 5.445 -23.186 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -8.272 5.845 -20.992 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -9.265 7.280 -21.154 1.00 1.00 H new ATOM 0 HG LEU A 21 -10.952 4.965 -21.398 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -10.640 4.015 -19.154 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -9.207 3.768 -20.180 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -9.197 5.032 -18.927 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -12.066 6.009 -19.460 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -10.672 7.094 -19.248 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -11.673 7.208 -20.715 1.00 1.00 H new ATOM 358 N GLU A 22 -8.266 7.844 -24.291 1.00 1.00 N ATOM 359 CA GLU A 22 -8.236 9.088 -25.052 1.00 1.00 C ATOM 360 C GLU A 22 -8.320 8.867 -26.578 1.00 1.00 C ATOM 361 O GLU A 22 -8.800 9.776 -27.289 1.00 1.00 O ATOM 362 CB GLU A 22 -7.002 9.885 -24.687 1.00 1.00 C ATOM 363 CG GLU A 22 -7.281 11.007 -23.708 1.00 1.00 C ATOM 364 CD GLU A 22 -6.058 11.394 -22.911 1.00 1.00 C ATOM 365 OE1 GLU A 22 -5.810 10.771 -21.852 1.00 1.00 O ATOM 366 OE2 GLU A 22 -5.339 12.319 -23.342 1.00 1.00 O ATOM 0 H GLU A 22 -7.386 7.328 -24.313 1.00 1.00 H new ATOM 0 HA GLU A 22 -9.128 9.653 -24.781 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -6.258 9.214 -24.257 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -6.567 10.304 -25.594 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -7.647 11.878 -24.252 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.074 10.701 -23.026 1.00 1.00 H new ATOM 373 N GLY A 23 -7.871 7.679 -27.044 1.00 1.00 N ATOM 374 CA GLY A 23 -7.906 7.350 -28.445 1.00 1.00 C ATOM 375 C GLY A 23 -7.795 5.886 -28.678 1.00 1.00 C ATOM 376 O GLY A 23 -8.005 5.063 -27.749 1.00 1.00 O ATOM 0 H GLY A 23 -7.483 6.946 -26.450 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -8.836 7.716 -28.880 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.091 7.861 -28.958 1.00 1.00 H new ATOM 380 N ASP A 24 -7.509 5.527 -29.929 1.00 1.00 N ATOM 381 CA ASP A 24 -7.365 4.124 -30.339 1.00 1.00 C ATOM 382 C ASP A 24 -5.991 3.885 -30.902 1.00 1.00 C ATOM 383 O ASP A 24 -5.510 4.681 -31.761 1.00 1.00 O ATOM 384 CB ASP A 24 -8.484 3.688 -31.344 1.00 1.00 C ATOM 385 CG ASP A 24 -8.685 4.589 -32.578 1.00 1.00 C ATOM 386 OD1 ASP A 24 -9.152 5.738 -32.390 1.00 1.00 O ATOM 387 OD2 ASP A 24 -8.246 4.182 -33.652 1.00 1.00 O ATOM 0 H ASP A 24 -7.370 6.195 -30.687 1.00 1.00 H new ATOM 0 HA ASP A 24 -7.486 3.501 -29.453 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -8.258 2.679 -31.690 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -9.428 3.635 -30.802 1.00 1.00 H new ATOM 392 N TYR A 25 -5.365 2.795 -30.459 1.00 1.00 N ATOM 393 CA TYR A 25 -4.042 2.422 -30.933 1.00 1.00 C ATOM 394 C TYR A 25 -3.970 0.961 -31.095 1.00 1.00 C ATOM 395 O TYR A 25 -4.530 0.194 -30.266 1.00 1.00 O ATOM 396 CB TYR A 25 -2.904 2.933 -29.985 1.00 1.00 C ATOM 397 CG TYR A 25 -2.511 4.389 -30.224 1.00 1.00 C ATOM 398 CD1 TYR A 25 -1.519 4.718 -31.140 1.00 1.00 C ATOM 399 CD2 TYR A 25 -3.138 5.421 -29.528 1.00 1.00 C ATOM 400 CE1 TYR A 25 -1.166 6.018 -31.360 1.00 1.00 C ATOM 401 CE2 TYR A 25 -2.787 6.726 -29.741 1.00 1.00 C ATOM 402 CZ TYR A 25 -1.799 7.022 -30.659 1.00 1.00 C ATOM 403 OH TYR A 25 -1.439 8.328 -30.876 1.00 1.00 O ATOM 0 H TYR A 25 -5.759 2.155 -29.769 1.00 1.00 H new ATOM 0 HA TYR A 25 -3.884 2.904 -31.898 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -3.227 2.819 -28.950 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -2.024 2.303 -30.116 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -1.019 3.932 -31.687 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -3.911 5.187 -28.811 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -0.396 6.258 -32.078 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -3.279 7.518 -29.196 1.00 1.00 H new ATOM 0 HH TYR A 25 -1.978 8.915 -30.306 1.00 1.00 H new ATOM 413 N SER A 26 -3.249 0.540 -32.149 1.00 1.00 N ATOM 414 CA SER A 26 -3.050 -0.849 -32.469 1.00 1.00 C ATOM 415 C SER A 26 -1.980 -1.478 -31.533 1.00 1.00 C ATOM 416 O SER A 26 -1.262 -0.707 -30.871 1.00 1.00 O ATOM 417 CB SER A 26 -2.662 -1.052 -33.932 1.00 1.00 C ATOM 418 OG SER A 26 -3.772 -1.518 -34.675 1.00 1.00 O ATOM 0 H SER A 26 -2.790 1.178 -32.799 1.00 1.00 H new ATOM 0 HA SER A 26 -4.002 -1.355 -32.311 1.00 1.00 H new ATOM 0 HB2 SER A 26 -2.302 -0.113 -34.353 1.00 1.00 H new ATOM 0 HB3 SER A 26 -1.843 -1.768 -34.002 1.00 1.00 H new ATOM 0 HG SER A 26 -3.510 -1.642 -35.611 1.00 1.00 H new ATOM 424 N PRO A 27 -1.906 -2.883 -31.352 1.00 1.00 N ATOM 425 CA PRO A 27 -0.872 -3.541 -30.510 1.00 1.00 C ATOM 426 C PRO A 27 0.603 -3.126 -30.802 1.00 1.00 C ATOM 427 O PRO A 27 1.359 -2.825 -29.856 1.00 1.00 O ATOM 428 CB PRO A 27 -1.120 -4.998 -30.825 1.00 1.00 C ATOM 429 CG PRO A 27 -1.959 -5.046 -32.075 1.00 1.00 C ATOM 430 CD PRO A 27 -2.840 -3.918 -31.920 1.00 1.00 C ATOM 0 HA PRO A 27 -0.966 -3.262 -29.460 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -0.178 -5.525 -30.973 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -1.633 -5.489 -29.998 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -1.348 -4.960 -32.974 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -2.512 -5.982 -32.154 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -3.273 -3.603 -32.869 1.00 1.00 H new ATOM 0 HD3 PRO A 27 -3.670 -4.135 -31.247 1.00 1.00 H new ATOM 438 N SER A 28 0.953 -3.085 -32.152 1.00 1.00 N ATOM 439 CA SER A 28 2.263 -2.594 -32.635 1.00 1.00 C ATOM 440 C SER A 28 2.516 -1.107 -32.274 1.00 1.00 C ATOM 441 O SER A 28 3.643 -0.729 -31.974 1.00 1.00 O ATOM 442 CB SER A 28 2.404 -2.793 -34.115 1.00 1.00 C ATOM 443 OG SER A 28 2.578 -4.150 -34.435 1.00 1.00 O ATOM 0 H SER A 28 0.330 -3.391 -32.899 1.00 1.00 H new ATOM 0 HA SER A 28 3.018 -3.188 -32.121 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.519 -2.409 -34.621 1.00 1.00 H new ATOM 0 HB3 SER A 28 3.255 -2.219 -34.481 1.00 1.00 H new ATOM 0 HG SER A 28 2.665 -4.249 -35.406 1.00 1.00 H new ATOM 449 N GLU A 29 1.359 -0.321 -32.220 1.00 1.00 N ATOM 450 CA GLU A 29 1.341 1.096 -31.820 1.00 1.00 C ATOM 451 C GLU A 29 1.520 1.288 -30.286 1.00 1.00 C ATOM 452 O GLU A 29 2.310 2.140 -29.871 1.00 1.00 O ATOM 453 CB GLU A 29 0.097 1.748 -32.289 1.00 1.00 C ATOM 454 CG GLU A 29 0.298 2.572 -33.525 1.00 1.00 C ATOM 455 CD GLU A 29 -0.900 2.524 -34.442 1.00 1.00 C ATOM 456 OE1 GLU A 29 -1.798 3.379 -34.289 1.00 1.00 O ATOM 457 OE2 GLU A 29 -0.946 1.632 -35.319 1.00 1.00 O ATOM 0 H GLU A 29 0.436 -0.683 -32.458 1.00 1.00 H new ATOM 0 HA GLU A 29 2.197 1.574 -32.297 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -0.655 0.984 -32.487 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -0.295 2.384 -31.495 1.00 1.00 H new ATOM 0 HG2 GLU A 29 0.496 3.606 -33.242 1.00 1.00 H new ATOM 0 HG3 GLU A 29 1.178 2.214 -34.060 1.00 1.00 H new ATOM 464 N LEU A 30 0.895 0.316 -29.493 1.00 1.00 N ATOM 465 CA LEU A 30 1.072 0.233 -28.032 1.00 1.00 C ATOM 466 C LEU A 30 2.489 -0.254 -27.655 1.00 1.00 C ATOM 467 O LEU A 30 2.885 -0.248 -26.499 1.00 1.00 O ATOM 468 CB LEU A 30 0.011 -0.651 -27.416 1.00 1.00 C ATOM 469 CG LEU A 30 -1.323 0.012 -27.084 1.00 1.00 C ATOM 470 CD1 LEU A 30 -2.451 -0.747 -27.743 1.00 1.00 C ATOM 471 CD2 LEU A 30 -1.538 0.068 -25.576 1.00 1.00 C ATOM 0 H LEU A 30 0.275 -0.400 -29.872 1.00 1.00 H new ATOM 0 HA LEU A 30 0.958 1.239 -27.627 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -0.181 -1.479 -28.098 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.415 -1.080 -26.499 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.308 1.033 -27.465 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.401 -0.269 -27.502 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -2.308 -0.746 -28.824 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -2.460 -1.774 -27.379 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.495 0.544 -25.362 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.538 -0.944 -25.171 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.735 0.644 -25.115 1.00 1.00 H new ATOM 483 N ALA A 31 3.289 -0.550 -28.749 1.00 1.00 N ATOM 484 CA ALA A 31 4.679 -0.929 -28.642 1.00 1.00 C ATOM 485 C ALA A 31 5.573 0.231 -29.018 1.00 1.00 C ATOM 486 O ALA A 31 6.678 0.354 -28.465 1.00 1.00 O ATOM 487 CB ALA A 31 4.989 -2.152 -29.464 1.00 1.00 C ATOM 0 H ALA A 31 2.948 -0.520 -29.710 1.00 1.00 H new ATOM 0 HA ALA A 31 4.877 -1.189 -27.602 1.00 1.00 H new ATOM 0 HB1 ALA A 31 6.044 -2.405 -29.357 1.00 1.00 H new ATOM 0 HB2 ALA A 31 4.379 -2.987 -29.119 1.00 1.00 H new ATOM 0 HB3 ALA A 31 4.769 -1.951 -30.512 1.00 1.00 H new ATOM 493 N ARG A 32 5.048 1.135 -29.935 1.00 1.00 N ATOM 494 CA ARG A 32 5.746 2.377 -30.366 1.00 1.00 C ATOM 495 C ARG A 32 5.912 3.358 -29.192 1.00 1.00 C ATOM 496 O ARG A 32 7.003 3.885 -28.968 1.00 1.00 O ATOM 497 CB ARG A 32 5.031 3.023 -31.526 1.00 1.00 C ATOM 498 CG ARG A 32 5.563 2.599 -32.869 1.00 1.00 C ATOM 499 CD ARG A 32 5.613 3.767 -33.801 1.00 1.00 C ATOM 500 NE ARG A 32 4.411 3.884 -34.662 1.00 1.00 N ATOM 501 CZ ARG A 32 4.227 4.845 -35.602 1.00 1.00 C ATOM 502 NH1 ARG A 32 5.203 5.667 -35.941 1.00 1.00 N ATOM 503 NH2 ARG A 32 3.069 4.952 -36.202 1.00 1.00 N ATOM 0 H ARG A 32 4.139 1.007 -30.379 1.00 1.00 H new ATOM 0 HA ARG A 32 6.744 2.100 -30.705 1.00 1.00 H new ATOM 0 HB2 ARG A 32 3.970 2.779 -31.470 1.00 1.00 H new ATOM 0 HB3 ARG A 32 5.114 4.106 -31.436 1.00 1.00 H new ATOM 0 HG2 ARG A 32 6.560 2.174 -32.755 1.00 1.00 H new ATOM 0 HG3 ARG A 32 4.929 1.818 -33.288 1.00 1.00 H new ATOM 0 HD2 ARG A 32 5.725 4.682 -33.220 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.497 3.681 -34.433 1.00 1.00 H new ATOM 0 HE ARG A 32 3.671 3.193 -34.539 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.116 5.586 -35.494 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.044 6.383 -36.650 1.00 1.00 H new ATOM 0 HH21 ARG A 32 2.310 4.315 -35.962 1.00 1.00 H new ATOM 0 HH22 ARG A 32 2.926 5.673 -36.909 1.00 1.00 H new ATOM 517 N ILE A 33 4.806 3.542 -28.401 1.00 1.00 N ATOM 518 CA ILE A 33 4.789 4.334 -27.165 1.00 1.00 C ATOM 519 C ILE A 33 5.303 3.436 -25.975 1.00 1.00 C ATOM 520 O ILE A 33 4.469 2.827 -25.221 1.00 1.00 O ATOM 521 CB ILE A 33 3.338 4.967 -26.902 1.00 1.00 C ATOM 522 CG1 ILE A 33 3.378 5.838 -25.612 1.00 1.00 C ATOM 523 CG2 ILE A 33 2.253 3.848 -26.799 1.00 1.00 C ATOM 524 CD1 ILE A 33 2.947 7.248 -25.807 1.00 1.00 C ATOM 0 H ILE A 33 3.899 3.131 -28.624 1.00 1.00 H new ATOM 0 HA ILE A 33 5.464 5.185 -27.256 1.00 1.00 H new ATOM 0 HB ILE A 33 3.067 5.603 -27.745 1.00 1.00 H new ATOM 0 HG12 ILE A 33 2.740 5.377 -24.858 1.00 1.00 H new ATOM 0 HG13 ILE A 33 4.394 5.833 -25.217 1.00 1.00 H new ATOM 0 HG21 ILE A 33 1.278 4.302 -26.621 1.00 1.00 H new ATOM 0 HG22 ILE A 33 2.225 3.282 -27.730 1.00 1.00 H new ATOM 0 HG23 ILE A 33 2.498 3.179 -25.974 1.00 1.00 H new ATOM 0 HD11 ILE A 33 3.006 7.781 -24.858 1.00 1.00 H new ATOM 0 HD12 ILE A 33 3.599 7.730 -26.535 1.00 1.00 H new ATOM 0 HD13 ILE A 33 1.920 7.267 -26.171 1.00 1.00 H new ATOM 536 N LEU A 34 6.577 3.360 -25.801 1.00 1.00 N ATOM 537 CA LEU A 34 7.163 2.512 -24.746 1.00 1.00 C ATOM 538 C LEU A 34 8.561 2.790 -24.517 1.00 1.00 C ATOM 539 O LEU A 34 9.081 2.495 -23.406 1.00 1.00 O ATOM 540 CB LEU A 34 6.972 0.999 -25.115 1.00 1.00 C ATOM 541 CG LEU A 34 6.452 0.114 -23.985 1.00 1.00 C ATOM 542 CD1 LEU A 34 4.951 -0.129 -24.101 1.00 1.00 C ATOM 543 CD2 LEU A 34 7.205 -1.186 -23.980 1.00 1.00 C ATOM 0 H LEU A 34 7.261 3.866 -26.364 1.00 1.00 H new ATOM 0 HA LEU A 34 6.637 2.742 -23.819 1.00 1.00 H new ATOM 0 HB2 LEU A 34 6.281 0.931 -25.955 1.00 1.00 H new ATOM 0 HB3 LEU A 34 7.928 0.601 -25.456 1.00 1.00 H new ATOM 0 HG LEU A 34 6.618 0.631 -23.040 1.00 1.00 H new ATOM 0 HD11 LEU A 34 4.620 -0.763 -23.278 1.00 1.00 H new ATOM 0 HD12 LEU A 34 4.424 0.824 -24.059 1.00 1.00 H new ATOM 0 HD13 LEU A 34 4.734 -0.622 -25.049 1.00 1.00 H new ATOM 0 HD21 LEU A 34 6.834 -1.818 -23.173 1.00 1.00 H new ATOM 0 HD22 LEU A 34 7.061 -1.693 -24.934 1.00 1.00 H new ATOM 0 HD23 LEU A 34 8.267 -0.991 -23.829 1.00 1.00 H new ATOM 644 N SER A 41 4.821 -8.444 -29.284 1.00 1.00 N ATOM 645 CA SER A 41 3.944 -7.465 -28.590 1.00 1.00 C ATOM 646 C SER A 41 2.472 -7.685 -28.884 1.00 1.00 C ATOM 647 O SER A 41 1.602 -7.269 -28.081 1.00 1.00 O ATOM 648 CB SER A 41 4.321 -6.007 -28.979 1.00 1.00 C ATOM 649 OG SER A 41 4.462 -5.848 -30.398 1.00 1.00 O ATOM 0 HA SER A 41 4.105 -7.622 -27.523 1.00 1.00 H new ATOM 0 HB2 SER A 41 3.554 -5.324 -28.612 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.255 -5.731 -28.489 1.00 1.00 H new ATOM 0 HG SER A 41 4.645 -6.719 -30.808 1.00 1.00 H new ATOM 655 N LYS A 42 2.198 -8.418 -30.012 1.00 1.00 N ATOM 656 CA LYS A 42 0.834 -8.675 -30.512 1.00 1.00 C ATOM 657 C LYS A 42 0.015 -9.654 -29.642 1.00 1.00 C ATOM 658 O LYS A 42 -1.012 -9.232 -29.099 1.00 1.00 O ATOM 659 CB LYS A 42 0.889 -9.175 -31.949 1.00 1.00 C ATOM 660 CG LYS A 42 0.690 -8.097 -32.983 1.00 1.00 C ATOM 661 CD LYS A 42 0.883 -8.643 -34.384 1.00 1.00 C ATOM 662 CE LYS A 42 0.713 -7.553 -35.427 1.00 1.00 C ATOM 663 NZ LYS A 42 1.040 -8.039 -36.796 1.00 1.00 N ATOM 0 H LYS A 42 2.926 -8.840 -30.588 1.00 1.00 H new ATOM 0 HA LYS A 42 0.312 -7.719 -30.461 1.00 1.00 H new ATOM 0 HB2 LYS A 42 1.853 -9.653 -32.119 1.00 1.00 H new ATOM 0 HB3 LYS A 42 0.125 -9.940 -32.086 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -0.312 -7.678 -32.888 1.00 1.00 H new ATOM 0 HG3 LYS A 42 1.394 -7.284 -32.806 1.00 1.00 H new ATOM 0 HD2 LYS A 42 1.877 -9.082 -34.472 1.00 1.00 H new ATOM 0 HD3 LYS A 42 0.164 -9.441 -34.568 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -0.314 -7.188 -35.407 1.00 1.00 H new ATOM 0 HE3 LYS A 42 1.356 -6.709 -35.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 0.911 -7.265 -37.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 2.028 -8.364 -36.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 0.410 -8.828 -37.044 1.00 1.00 H new ATOM 677 N LYS A 43 0.595 -10.867 -29.390 1.00 1.00 N ATOM 678 CA LYS A 43 -0.049 -11.926 -28.594 1.00 1.00 C ATOM 679 C LYS A 43 -0.044 -11.656 -27.087 1.00 1.00 C ATOM 680 O LYS A 43 -0.988 -11.996 -26.388 1.00 1.00 O ATOM 681 CB LYS A 43 0.596 -13.253 -28.905 1.00 1.00 C ATOM 682 CG LYS A 43 -0.191 -14.104 -29.872 1.00 1.00 C ATOM 683 CD LYS A 43 0.581 -15.354 -30.242 1.00 1.00 C ATOM 684 CE LYS A 43 -0.206 -16.224 -31.206 1.00 1.00 C ATOM 685 NZ LYS A 43 0.559 -17.433 -31.611 1.00 1.00 N ATOM 0 H LYS A 43 1.519 -11.124 -29.738 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.100 -11.944 -28.882 1.00 1.00 H new ATOM 0 HB2 LYS A 43 1.589 -13.075 -29.318 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.731 -13.807 -27.976 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -1.146 -14.380 -29.426 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.413 -13.529 -30.771 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.533 -15.075 -30.694 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.811 -15.922 -29.341 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.144 -16.527 -30.740 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.464 -15.643 -32.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -0.012 -18.001 -32.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.442 -17.145 -32.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.783 -18.000 -30.769 1.00 1.00 H new ATOM 699 N VAL A 44 1.038 -10.970 -26.663 1.00 1.00 N ATOM 700 CA VAL A 44 1.273 -10.576 -25.247 1.00 1.00 C ATOM 701 C VAL A 44 0.263 -9.518 -24.761 1.00 1.00 C ATOM 702 O VAL A 44 -0.224 -9.613 -23.637 1.00 1.00 O ATOM 703 CB VAL A 44 2.707 -10.071 -24.987 1.00 1.00 C ATOM 704 CG1 VAL A 44 3.307 -10.804 -23.805 1.00 1.00 C ATOM 705 CG2 VAL A 44 3.586 -10.204 -26.220 1.00 1.00 C ATOM 0 H VAL A 44 1.781 -10.669 -27.293 1.00 1.00 H new ATOM 0 HA VAL A 44 1.130 -11.493 -24.675 1.00 1.00 H new ATOM 0 HB VAL A 44 2.654 -9.008 -24.751 1.00 1.00 H new ATOM 0 HG11 VAL A 44 4.320 -10.442 -23.628 1.00 1.00 H new ATOM 0 HG12 VAL A 44 2.698 -10.626 -22.919 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.336 -11.873 -24.016 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.587 -9.837 -25.994 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.641 -11.252 -26.516 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.160 -9.619 -27.035 1.00 1.00 H new ATOM 715 N ILE A 45 -0.063 -8.576 -25.690 1.00 1.00 N ATOM 716 CA ILE A 45 -1.067 -7.540 -25.424 1.00 1.00 C ATOM 717 C ILE A 45 -2.546 -8.093 -25.458 1.00 1.00 C ATOM 718 O ILE A 45 -3.447 -7.387 -24.999 1.00 1.00 O ATOM 719 CB ILE A 45 -0.857 -6.300 -26.373 1.00 1.00 C ATOM 720 CG1 ILE A 45 -1.247 -5.006 -25.634 1.00 1.00 C ATOM 721 CG2 ILE A 45 -1.674 -6.468 -27.653 1.00 1.00 C ATOM 722 CD1 ILE A 45 -0.101 -4.065 -25.413 1.00 1.00 C ATOM 0 H ILE A 45 0.358 -8.524 -26.618 1.00 1.00 H new ATOM 0 HA ILE A 45 -0.916 -7.198 -24.400 1.00 1.00 H new ATOM 0 HB ILE A 45 0.195 -6.235 -26.652 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -2.021 -4.493 -26.204 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -1.682 -5.267 -24.669 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -1.519 -5.604 -28.299 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -1.355 -7.372 -28.172 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -2.732 -6.548 -27.402 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -0.455 -3.178 -24.887 1.00 1.00 H new ATOM 0 HD12 ILE A 45 0.666 -4.559 -24.816 1.00 1.00 H new ATOM 0 HD13 ILE A 45 0.321 -3.773 -26.375 1.00 1.00 H new ATOM 734 N LEU A 46 -2.708 -9.202 -26.207 1.00 1.00 N ATOM 735 CA LEU A 46 -3.988 -9.861 -26.400 1.00 1.00 C ATOM 736 C LEU A 46 -4.458 -10.608 -25.154 1.00 1.00 C ATOM 737 O LEU A 46 -5.650 -10.593 -24.842 1.00 1.00 O ATOM 738 CB LEU A 46 -3.961 -10.749 -27.629 1.00 1.00 C ATOM 739 CG LEU A 46 -4.075 -10.042 -28.998 1.00 1.00 C ATOM 740 CD1 LEU A 46 -3.523 -10.944 -30.078 1.00 1.00 C ATOM 741 CD2 LEU A 46 -5.508 -9.650 -29.316 1.00 1.00 C ATOM 0 H LEU A 46 -1.938 -9.660 -26.694 1.00 1.00 H new ATOM 0 HA LEU A 46 -4.730 -9.082 -26.574 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -3.032 -11.319 -27.617 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -4.777 -11.467 -27.548 1.00 1.00 H new ATOM 0 HG LEU A 46 -3.492 -9.122 -28.954 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -3.603 -10.446 -31.044 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.476 -11.164 -29.869 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -4.091 -11.874 -30.101 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -5.543 -9.156 -30.287 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -6.133 -10.543 -29.340 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -5.878 -8.969 -28.549 1.00 1.00 H new ATOM 753 N GLU A 47 -3.444 -11.217 -24.459 1.00 1.00 N ATOM 754 CA GLU A 47 -3.660 -11.934 -23.188 1.00 1.00 C ATOM 755 C GLU A 47 -3.841 -10.953 -22.016 1.00 1.00 C ATOM 756 O GLU A 47 -4.545 -11.257 -21.044 1.00 1.00 O ATOM 757 CB GLU A 47 -2.570 -12.921 -22.930 1.00 1.00 C ATOM 758 CG GLU A 47 -2.885 -14.305 -23.460 1.00 1.00 C ATOM 759 CD GLU A 47 -1.780 -15.289 -23.159 1.00 1.00 C ATOM 760 OE1 GLU A 47 -0.853 -15.417 -23.989 1.00 1.00 O ATOM 761 OE2 GLU A 47 -1.839 -15.936 -22.092 1.00 1.00 O ATOM 0 H GLU A 47 -2.473 -11.217 -24.771 1.00 1.00 H new ATOM 0 HA GLU A 47 -4.588 -12.499 -23.277 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -1.648 -12.564 -23.389 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -2.389 -12.982 -21.857 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -3.817 -14.659 -23.019 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -3.042 -14.254 -24.537 1.00 1.00 H new ATOM 768 N ASP A 48 -3.206 -9.729 -22.177 1.00 1.00 N ATOM 769 CA ASP A 48 -3.353 -8.582 -21.234 1.00 1.00 C ATOM 770 C ASP A 48 -4.777 -7.999 -21.249 1.00 1.00 C ATOM 771 O ASP A 48 -5.307 -7.645 -20.206 1.00 1.00 O ATOM 772 CB ASP A 48 -2.339 -7.519 -21.503 1.00 1.00 C ATOM 773 CG ASP A 48 -1.059 -7.728 -20.739 1.00 1.00 C ATOM 774 OD1 ASP A 48 -1.034 -7.436 -19.529 1.00 1.00 O ATOM 775 OD2 ASP A 48 -0.076 -8.173 -21.348 1.00 1.00 O ATOM 0 H ASP A 48 -2.587 -9.528 -22.962 1.00 1.00 H new ATOM 0 HA ASP A 48 -3.173 -8.974 -20.233 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.120 -7.494 -22.570 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -2.759 -6.548 -21.241 1.00 1.00 H new ATOM 780 N LEU A 49 -5.433 -8.102 -22.464 1.00 1.00 N ATOM 781 CA LEU A 49 -6.846 -7.714 -22.671 1.00 1.00 C ATOM 782 C LEU A 49 -7.822 -8.624 -21.928 1.00 1.00 C ATOM 783 O LEU A 49 -8.836 -8.157 -21.427 1.00 1.00 O ATOM 784 CB LEU A 49 -7.192 -7.670 -24.143 1.00 1.00 C ATOM 785 CG LEU A 49 -6.790 -6.397 -24.886 1.00 1.00 C ATOM 786 CD1 LEU A 49 -6.331 -6.752 -26.282 1.00 1.00 C ATOM 787 CD2 LEU A 49 -7.947 -5.406 -24.933 1.00 1.00 C ATOM 0 H LEU A 49 -4.982 -8.456 -23.308 1.00 1.00 H new ATOM 0 HA LEU A 49 -6.951 -6.713 -22.252 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -6.716 -8.519 -24.634 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -8.269 -7.804 -24.247 1.00 1.00 H new ATOM 0 HG LEU A 49 -5.969 -5.920 -24.351 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -6.044 -5.844 -26.813 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -5.475 -7.424 -26.224 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -7.143 -7.244 -26.818 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -7.636 -4.508 -25.467 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -8.794 -5.859 -25.448 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -8.240 -5.141 -23.917 1.00 1.00 H new ATOM 799 N LYS A 50 -7.419 -9.932 -21.831 1.00 1.00 N ATOM 800 CA LYS A 50 -8.187 -10.990 -21.135 1.00 1.00 C ATOM 801 C LYS A 50 -8.322 -10.739 -19.623 1.00 1.00 C ATOM 802 O LYS A 50 -9.408 -10.878 -19.064 1.00 1.00 O ATOM 803 CB LYS A 50 -7.591 -12.360 -21.373 1.00 1.00 C ATOM 804 CG LYS A 50 -7.832 -12.911 -22.764 1.00 1.00 C ATOM 805 CD LYS A 50 -7.186 -14.261 -22.934 1.00 1.00 C ATOM 806 CE LYS A 50 -7.313 -14.749 -24.363 1.00 1.00 C ATOM 807 NZ LYS A 50 -6.601 -16.036 -24.570 1.00 1.00 N ATOM 0 H LYS A 50 -6.548 -10.271 -22.239 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.188 -10.956 -21.566 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -6.517 -12.312 -21.195 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -8.005 -13.055 -20.643 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -8.904 -12.992 -22.945 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -7.435 -12.219 -23.506 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -6.133 -14.201 -22.659 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -7.652 -14.978 -22.258 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -8.367 -14.872 -24.613 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -6.910 -13.997 -25.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -6.370 -16.147 -25.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -5.724 -16.041 -24.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -7.210 -16.822 -24.266 1.00 1.00 H new ATOM 821 N VAL A 51 -7.232 -10.182 -19.035 1.00 1.00 N ATOM 822 CA VAL A 51 -7.138 -9.840 -17.603 1.00 1.00 C ATOM 823 C VAL A 51 -7.922 -8.560 -17.279 1.00 1.00 C ATOM 824 O VAL A 51 -8.721 -8.577 -16.344 1.00 1.00 O ATOM 825 CB VAL A 51 -5.659 -9.705 -17.115 1.00 1.00 C ATOM 826 CG1 VAL A 51 -5.574 -9.901 -15.604 1.00 1.00 C ATOM 827 CG2 VAL A 51 -4.724 -10.663 -17.838 1.00 1.00 C ATOM 0 H VAL A 51 -6.384 -9.957 -19.556 1.00 1.00 H new ATOM 0 HA VAL A 51 -7.588 -10.672 -17.062 1.00 1.00 H new ATOM 0 HB VAL A 51 -5.329 -8.695 -17.358 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -4.537 -9.804 -15.282 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -6.181 -9.146 -15.104 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -5.943 -10.893 -15.345 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.708 -10.531 -17.465 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -5.046 -11.689 -17.660 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -4.747 -10.456 -18.908 1.00 1.00 H new ATOM 837 N ILE A 52 -7.757 -7.545 -18.150 1.00 1.00 N ATOM 838 CA ILE A 52 -8.398 -6.230 -17.991 1.00 1.00 C ATOM 839 C ILE A 52 -9.897 -6.258 -18.226 1.00 1.00 C ATOM 840 O ILE A 52 -10.590 -5.482 -17.576 1.00 1.00 O ATOM 841 CB ILE A 52 -7.699 -5.116 -18.854 1.00 1.00 C ATOM 842 CG1 ILE A 52 -6.131 -5.112 -18.648 1.00 1.00 C ATOM 843 CG2 ILE A 52 -8.268 -3.716 -18.538 1.00 1.00 C ATOM 844 CD1 ILE A 52 -5.641 -4.964 -17.194 1.00 1.00 C ATOM 0 H ILE A 52 -7.174 -7.617 -18.984 1.00 1.00 H new ATOM 0 HA ILE A 52 -8.259 -5.967 -16.943 1.00 1.00 H new ATOM 0 HB ILE A 52 -7.910 -5.353 -19.897 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -5.729 -6.041 -19.053 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -5.709 -4.298 -19.237 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -7.762 -2.971 -19.152 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.336 -3.700 -18.754 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -8.108 -3.487 -17.484 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -4.551 -4.974 -17.174 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -6.002 -4.022 -16.782 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -6.022 -5.791 -16.596 1.00 1.00 H new ATOM 856 N SER A 53 -10.308 -7.135 -19.149 1.00 1.00 N ATOM 857 CA SER A 53 -11.741 -7.326 -19.481 1.00 1.00 C ATOM 858 C SER A 53 -12.593 -7.825 -18.283 1.00 1.00 C ATOM 859 O SER A 53 -13.749 -7.409 -18.130 1.00 1.00 O ATOM 860 CB SER A 53 -11.923 -8.253 -20.634 1.00 1.00 C ATOM 861 OG SER A 53 -11.549 -7.634 -21.840 1.00 1.00 O ATOM 0 H SER A 53 -9.674 -7.728 -19.685 1.00 1.00 H new ATOM 0 HA SER A 53 -12.101 -6.333 -19.752 1.00 1.00 H new ATOM 0 HB2 SER A 53 -11.325 -9.151 -20.481 1.00 1.00 H new ATOM 0 HB3 SER A 53 -12.965 -8.569 -20.691 1.00 1.00 H new ATOM 0 HG SER A 53 -10.577 -7.696 -21.952 1.00 1.00 H new ATOM 867 N LYS A 54 -11.910 -8.617 -17.372 1.00 1.00 N ATOM 868 CA LYS A 54 -12.535 -9.160 -16.154 1.00 1.00 C ATOM 869 C LYS A 54 -12.784 -8.097 -15.080 1.00 1.00 C ATOM 870 O LYS A 54 -13.797 -8.134 -14.386 1.00 1.00 O ATOM 871 CB LYS A 54 -11.711 -10.290 -15.596 1.00 1.00 C ATOM 872 CG LYS A 54 -12.158 -11.652 -16.064 1.00 1.00 C ATOM 873 CD LYS A 54 -11.228 -12.729 -15.553 1.00 1.00 C ATOM 874 CE LYS A 54 -11.698 -14.103 -15.986 1.00 1.00 C ATOM 875 NZ LYS A 54 -10.792 -15.177 -15.502 1.00 1.00 N ATOM 0 H LYS A 54 -10.930 -8.878 -17.482 1.00 1.00 H new ATOM 0 HA LYS A 54 -13.514 -9.538 -16.450 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -10.669 -10.142 -15.878 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -11.754 -10.257 -14.507 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -13.172 -11.846 -15.715 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -12.185 -11.676 -17.153 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -10.220 -12.551 -15.927 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -11.177 -12.684 -14.465 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -12.704 -14.279 -15.606 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -11.757 -14.140 -17.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -11.148 -16.101 -15.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -9.837 -15.024 -15.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -10.756 -15.158 -14.463 1.00 1.00 H new ATOM 889 N ILE A 55 -11.858 -7.108 -15.046 1.00 1.00 N ATOM 890 CA ILE A 55 -11.899 -5.988 -14.091 1.00 1.00 C ATOM 891 C ILE A 55 -12.755 -4.853 -14.605 1.00 1.00 C ATOM 892 O ILE A 55 -13.522 -4.281 -13.823 1.00 1.00 O ATOM 893 CB ILE A 55 -10.493 -5.460 -13.679 1.00 1.00 C ATOM 894 CG1 ILE A 55 -9.442 -6.592 -13.676 1.00 1.00 C ATOM 895 CG2 ILE A 55 -10.557 -4.798 -12.288 1.00 1.00 C ATOM 896 CD1 ILE A 55 -8.001 -6.254 -14.130 1.00 1.00 C ATOM 0 H ILE A 55 -11.063 -7.070 -15.684 1.00 1.00 H new ATOM 0 HA ILE A 55 -12.353 -6.398 -13.189 1.00 1.00 H new ATOM 0 HB ILE A 55 -10.188 -4.718 -14.417 1.00 1.00 H new ATOM 0 HG12 ILE A 55 -9.387 -6.992 -12.664 1.00 1.00 H new ATOM 0 HG13 ILE A 55 -9.813 -7.393 -14.316 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -9.567 -4.434 -12.013 1.00 1.00 H new ATOM 0 HG22 ILE A 55 -11.257 -3.963 -12.314 1.00 1.00 H new ATOM 0 HG23 ILE A 55 -10.892 -5.529 -11.552 1.00 1.00 H new ATOM 0 HD11 ILE A 55 -7.382 -7.149 -14.073 1.00 1.00 H new ATOM 0 HD12 ILE A 55 -8.019 -5.890 -15.157 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -7.586 -5.484 -13.480 1.00 1.00 H new ATOM 908 N ALA A 56 -12.643 -4.579 -15.961 1.00 1.00 N ATOM 909 CA ALA A 56 -13.417 -3.520 -16.624 1.00 1.00 C ATOM 910 C ALA A 56 -14.972 -3.707 -16.527 1.00 1.00 C ATOM 911 O ALA A 56 -15.697 -2.769 -16.717 1.00 1.00 O ATOM 912 CB ALA A 56 -12.952 -3.387 -18.058 1.00 1.00 C ATOM 0 H ALA A 56 -12.020 -5.090 -16.587 1.00 1.00 H new ATOM 0 HA ALA A 56 -13.223 -2.591 -16.087 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -13.523 -2.603 -18.554 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -11.893 -3.131 -18.075 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -13.105 -4.332 -18.579 1.00 1.00 H new ATOM 918 N LYS A 57 -15.373 -5.012 -16.332 1.00 1.00 N ATOM 919 CA LYS A 57 -16.797 -5.412 -16.227 1.00 1.00 C ATOM 920 C LYS A 57 -17.339 -5.368 -14.752 1.00 1.00 C ATOM 921 O LYS A 57 -18.515 -5.034 -14.553 1.00 1.00 O ATOM 922 CB LYS A 57 -16.996 -6.727 -16.883 1.00 1.00 C ATOM 923 CG LYS A 57 -17.110 -6.631 -18.386 1.00 1.00 C ATOM 924 CD LYS A 57 -17.185 -8.002 -19.002 1.00 1.00 C ATOM 925 CE LYS A 57 -16.879 -7.957 -20.486 1.00 1.00 C ATOM 926 NZ LYS A 57 -18.119 -7.898 -21.308 1.00 1.00 N ATOM 0 H LYS A 57 -14.720 -5.791 -16.247 1.00 1.00 H new ATOM 0 HA LYS A 57 -17.399 -4.675 -16.759 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.163 -7.382 -16.629 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -17.899 -7.191 -16.486 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.998 -6.058 -18.653 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.251 -6.093 -18.787 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -16.479 -8.666 -18.503 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.180 -8.419 -18.846 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -16.259 -7.087 -20.702 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -16.301 -8.838 -20.764 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.866 -7.869 -22.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.700 -8.740 -21.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -18.659 -7.044 -21.061 1.00 1.00 H new ATOM 940 N ARG A 58 -16.429 -5.705 -13.839 1.00 1.00 N ATOM 941 CA ARG A 58 -16.666 -5.531 -12.353 1.00 1.00 C ATOM 942 C ARG A 58 -16.615 -4.020 -11.968 1.00 1.00 C ATOM 943 O ARG A 58 -17.180 -3.599 -10.966 1.00 1.00 O ATOM 944 CB ARG A 58 -15.688 -6.296 -11.554 1.00 1.00 C ATOM 945 CG ARG A 58 -16.179 -7.659 -11.187 1.00 1.00 C ATOM 946 CD ARG A 58 -15.035 -8.548 -10.970 1.00 1.00 C ATOM 947 NE ARG A 58 -14.733 -8.739 -9.559 1.00 1.00 N ATOM 948 CZ ARG A 58 -13.718 -9.492 -9.162 1.00 1.00 C ATOM 949 NH1 ARG A 58 -12.653 -9.642 -9.936 1.00 1.00 N ATOM 950 NH2 ARG A 58 -13.768 -10.064 -7.999 1.00 1.00 N ATOM 0 H ARG A 58 -15.518 -6.100 -14.071 1.00 1.00 H new ATOM 0 HA ARG A 58 -17.658 -5.922 -12.128 1.00 1.00 H new ATOM 0 HB2 ARG A 58 -14.759 -6.389 -12.117 1.00 1.00 H new ATOM 0 HB3 ARG A 58 -15.456 -5.742 -10.645 1.00 1.00 H new ATOM 0 HG2 ARG A 58 -16.789 -7.607 -10.285 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -16.815 -8.054 -11.979 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -15.240 -9.516 -11.428 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -14.160 -8.137 -11.472 1.00 1.00 H new ATOM 0 HE ARG A 58 -15.317 -8.282 -8.859 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -12.612 -9.176 -10.843 1.00 1.00 H new ATOM 0 HH12 ARG A 58 -11.874 -10.223 -9.625 1.00 1.00 H new ATOM 0 HH21 ARG A 58 -14.583 -9.932 -7.400 1.00 1.00 H new ATOM 0 HH22 ARG A 58 -12.992 -10.646 -7.683 1.00 1.00 H new ATOM 964 N GLU A 59 -15.974 -3.223 -12.898 1.00 1.00 N ATOM 965 CA GLU A 59 -15.878 -1.762 -12.772 1.00 1.00 C ATOM 966 C GLU A 59 -17.051 -1.025 -13.453 1.00 1.00 C ATOM 967 O GLU A 59 -17.088 0.229 -13.498 1.00 1.00 O ATOM 968 CB GLU A 59 -14.544 -1.279 -13.300 1.00 1.00 C ATOM 969 CG GLU A 59 -13.639 -0.724 -12.224 1.00 1.00 C ATOM 970 CD GLU A 59 -12.347 -0.179 -12.793 1.00 1.00 C ATOM 971 OE1 GLU A 59 -11.384 -0.963 -12.942 1.00 1.00 O ATOM 972 OE2 GLU A 59 -12.294 1.035 -13.088 1.00 1.00 O ATOM 0 H GLU A 59 -15.524 -3.593 -13.735 1.00 1.00 H new ATOM 0 HA GLU A 59 -15.946 -1.522 -11.711 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.038 -2.105 -13.799 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -14.716 -0.509 -14.052 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.160 0.068 -11.685 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.414 -1.507 -11.500 1.00 1.00 H new ATOM 979 N GLY A 60 -18.050 -1.846 -13.950 1.00 1.00 N ATOM 980 CA GLY A 60 -19.235 -1.308 -14.637 1.00 1.00 C ATOM 981 C GLY A 60 -18.936 -0.560 -15.929 1.00 1.00 C ATOM 982 O GLY A 60 -19.528 0.499 -16.161 1.00 1.00 O ATOM 0 H GLY A 60 -18.036 -2.863 -13.876 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -19.915 -2.131 -14.858 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -19.759 -0.636 -13.957 1.00 1.00 H new ATOM 986 N MET A 61 -17.846 -0.994 -16.643 1.00 1.00 N ATOM 987 CA MET A 61 -17.413 -0.382 -17.885 1.00 1.00 C ATOM 988 C MET A 61 -17.560 -1.388 -19.030 1.00 1.00 C ATOM 989 O MET A 61 -17.389 -2.611 -18.845 1.00 1.00 O ATOM 990 CB MET A 61 -15.990 0.154 -17.764 1.00 1.00 C ATOM 991 CG MET A 61 -15.924 1.628 -17.409 1.00 1.00 C ATOM 992 SD MET A 61 -14.601 2.475 -18.284 1.00 1.00 S ATOM 993 CE MET A 61 -13.392 2.692 -16.975 1.00 1.00 C ATOM 0 H MET A 61 -17.264 -1.778 -16.349 1.00 1.00 H new ATOM 0 HA MET A 61 -18.048 0.476 -18.106 1.00 1.00 H new ATOM 0 HB2 MET A 61 -15.459 -0.418 -17.004 1.00 1.00 H new ATOM 0 HB3 MET A 61 -15.468 -0.008 -18.707 1.00 1.00 H new ATOM 0 HG2 MET A 61 -16.877 2.101 -17.647 1.00 1.00 H new ATOM 0 HG3 MET A 61 -15.775 1.736 -16.335 1.00 1.00 H new ATOM 0 HE1 MET A 61 -12.515 3.205 -17.371 1.00 1.00 H new ATOM 0 HE2 MET A 61 -13.828 3.286 -16.172 1.00 1.00 H new ATOM 0 HE3 MET A 61 -13.098 1.717 -16.586 1.00 1.00 H new ATOM 1003 N VAL A 62 -17.833 -0.850 -20.216 1.00 1.00 N ATOM 1004 CA VAL A 62 -18.053 -1.655 -21.415 1.00 1.00 C ATOM 1005 C VAL A 62 -16.972 -1.402 -22.453 1.00 1.00 C ATOM 1006 O VAL A 62 -16.748 -0.230 -22.844 1.00 1.00 O ATOM 1007 CB VAL A 62 -19.477 -1.412 -22.041 1.00 1.00 C ATOM 1008 CG1 VAL A 62 -20.455 -2.474 -21.562 1.00 1.00 C ATOM 1009 CG2 VAL A 62 -20.016 0.001 -21.727 1.00 1.00 C ATOM 0 H VAL A 62 -17.908 0.155 -20.373 1.00 1.00 H new ATOM 0 HA VAL A 62 -18.002 -2.698 -21.104 1.00 1.00 H new ATOM 0 HB VAL A 62 -19.374 -1.486 -23.124 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -21.435 -2.292 -22.004 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -20.099 -3.459 -21.863 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -20.533 -2.433 -20.476 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -21.000 0.124 -22.179 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -20.094 0.129 -20.647 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -19.335 0.749 -22.133 1.00 1.00 H new ATOM 1019 N LEU A 63 -16.321 -2.497 -22.882 1.00 1.00 N ATOM 1020 CA LEU A 63 -15.301 -2.430 -23.932 1.00 1.00 C ATOM 1021 C LEU A 63 -15.893 -2.850 -25.277 1.00 1.00 C ATOM 1022 O LEU A 63 -16.585 -3.899 -25.359 1.00 1.00 O ATOM 1023 CB LEU A 63 -14.098 -3.296 -23.583 1.00 1.00 C ATOM 1024 CG LEU A 63 -12.769 -2.557 -23.426 1.00 1.00 C ATOM 1025 CD1 LEU A 63 -12.076 -2.976 -22.143 1.00 1.00 C ATOM 1026 CD2 LEU A 63 -11.870 -2.826 -24.628 1.00 1.00 C ATOM 0 H LEU A 63 -16.485 -3.435 -22.516 1.00 1.00 H new ATOM 0 HA LEU A 63 -14.960 -1.397 -24.008 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -14.311 -3.823 -22.653 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -13.982 -4.053 -24.359 1.00 1.00 H new ATOM 0 HG LEU A 63 -12.971 -1.487 -23.374 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -11.132 -2.440 -22.048 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -12.714 -2.741 -21.291 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -11.884 -4.049 -22.167 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -10.927 -2.294 -24.503 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -11.676 -3.896 -24.705 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -12.364 -2.481 -25.536 1.00 1.00 H new ATOM 1038 N LEU A 64 -15.723 -1.965 -26.285 1.00 1.00 N ATOM 1039 CA LEU A 64 -16.239 -2.225 -27.644 1.00 1.00 C ATOM 1040 C LEU A 64 -15.103 -2.455 -28.624 1.00 1.00 C ATOM 1041 O LEU A 64 -14.135 -1.654 -28.680 1.00 1.00 O ATOM 1042 CB LEU A 64 -17.137 -1.092 -28.129 1.00 1.00 C ATOM 1043 CG LEU A 64 -18.594 -1.163 -27.673 1.00 1.00 C ATOM 1044 CD1 LEU A 64 -18.971 0.099 -26.916 1.00 1.00 C ATOM 1045 CD2 LEU A 64 -19.510 -1.372 -28.869 1.00 1.00 C ATOM 0 H LEU A 64 -15.237 -1.074 -26.183 1.00 1.00 H new ATOM 0 HA LEU A 64 -16.841 -3.132 -27.593 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -16.714 -0.147 -27.789 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -17.116 -1.077 -29.219 1.00 1.00 H new ATOM 0 HG LEU A 64 -18.712 -2.012 -27.000 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -20.011 0.035 -26.597 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -18.329 0.204 -26.041 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -18.843 0.965 -27.566 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -20.545 -1.421 -28.530 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -19.395 -0.541 -29.565 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -19.248 -2.304 -29.370 1.00 1.00 H new ATOM 1057 N ILE A 65 -15.221 -3.559 -29.378 1.00 1.00 N ATOM 1058 CA ILE A 65 -14.198 -3.946 -30.371 1.00 1.00 C ATOM 1059 C ILE A 65 -14.791 -3.788 -31.770 1.00 1.00 C ATOM 1060 O ILE A 65 -15.925 -4.244 -32.022 1.00 1.00 O ATOM 1061 CB ILE A 65 -13.642 -5.407 -30.133 1.00 1.00 C ATOM 1062 CG1 ILE A 65 -13.500 -5.715 -28.625 1.00 1.00 C ATOM 1063 CG2 ILE A 65 -12.278 -5.590 -30.817 1.00 1.00 C ATOM 1064 CD1 ILE A 65 -14.461 -6.770 -28.128 1.00 1.00 C ATOM 0 H ILE A 65 -16.012 -4.201 -29.322 1.00 1.00 H new ATOM 0 HA ILE A 65 -13.337 -3.286 -30.261 1.00 1.00 H new ATOM 0 HB ILE A 65 -14.361 -6.101 -30.568 1.00 1.00 H new ATOM 0 HG12 ILE A 65 -12.480 -6.042 -28.424 1.00 1.00 H new ATOM 0 HG13 ILE A 65 -13.658 -4.797 -28.059 1.00 1.00 H new ATOM 0 HG21 ILE A 65 -11.915 -6.602 -30.640 1.00 1.00 H new ATOM 0 HG22 ILE A 65 -12.384 -5.425 -31.889 1.00 1.00 H new ATOM 0 HG23 ILE A 65 -11.567 -4.873 -30.408 1.00 1.00 H new ATOM 0 HD11 ILE A 65 -14.303 -6.933 -27.062 1.00 1.00 H new ATOM 0 HD12 ILE A 65 -15.485 -6.437 -28.296 1.00 1.00 H new ATOM 0 HD13 ILE A 65 -14.289 -7.702 -28.667 1.00 1.00 H new ATOM 1076 N LYS A 66 -13.969 -3.163 -32.674 1.00 1.00 N ATOM 1077 CA LYS A 66 -14.348 -2.957 -34.053 1.00 1.00 C ATOM 1078 C LYS A 66 -14.167 -4.265 -34.871 1.00 1.00 C ATOM 1079 O LYS A 66 -13.123 -4.953 -34.721 1.00 1.00 O ATOM 1080 CB LYS A 66 -13.608 -1.830 -34.694 1.00 1.00 C ATOM 1081 CG LYS A 66 -14.480 -0.627 -34.916 1.00 1.00 C ATOM 1082 CD LYS A 66 -13.673 0.491 -35.521 1.00 1.00 C ATOM 1083 CE LYS A 66 -14.545 1.684 -35.841 1.00 1.00 C ATOM 1084 NZ LYS A 66 -14.699 1.877 -37.308 1.00 1.00 N ATOM 0 H LYS A 66 -13.044 -2.804 -32.440 1.00 1.00 H new ATOM 0 HA LYS A 66 -15.402 -2.680 -34.051 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -12.761 -1.551 -34.067 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -13.201 -2.162 -35.649 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -15.309 -0.885 -35.575 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -14.914 -0.303 -33.970 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -12.884 0.789 -34.830 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -13.185 0.140 -36.430 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -15.527 1.549 -35.387 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -14.110 2.581 -35.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -15.303 2.704 -37.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -13.765 2.031 -37.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -15.137 1.031 -37.725 1.00 1.00 H new ATOM 1098 N PRO A 67 -15.209 -4.668 -35.732 1.00 1.00 N ATOM 1099 CA PRO A 67 -15.128 -5.899 -36.517 1.00 1.00 C ATOM 1100 C PRO A 67 -14.055 -5.954 -37.633 1.00 1.00 C ATOM 1101 O PRO A 67 -13.975 -5.077 -38.546 1.00 1.00 O ATOM 1102 CB PRO A 67 -16.534 -6.020 -37.064 1.00 1.00 C ATOM 1103 CG PRO A 67 -17.069 -4.619 -37.141 1.00 1.00 C ATOM 1104 CD PRO A 67 -16.532 -3.972 -35.964 1.00 1.00 C ATOM 0 HA PRO A 67 -14.795 -6.729 -35.894 1.00 1.00 H new ATOM 0 HB2 PRO A 67 -16.531 -6.491 -38.047 1.00 1.00 H new ATOM 0 HB3 PRO A 67 -17.153 -6.639 -36.415 1.00 1.00 H new ATOM 0 HG2 PRO A 67 -16.746 -4.118 -38.054 1.00 1.00 H new ATOM 0 HG3 PRO A 67 -18.159 -4.608 -37.140 1.00 1.00 H new ATOM 0 HD2 PRO A 67 -16.397 -2.902 -36.124 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -17.197 -4.085 -35.108 1.00 1.00 H new ATOM 1112 N ALA A 68 -13.216 -6.994 -37.462 1.00 1.00 N ATOM 1113 CA ALA A 68 -12.155 -7.314 -38.421 1.00 1.00 C ATOM 1114 C ALA A 68 -12.761 -7.826 -39.726 1.00 1.00 C ATOM 1115 O ALA A 68 -13.764 -8.571 -39.721 1.00 1.00 O ATOM 1116 CB ALA A 68 -11.199 -8.307 -37.864 1.00 1.00 C ATOM 0 H ALA A 68 -13.258 -7.626 -36.663 1.00 1.00 H new ATOM 0 HA ALA A 68 -11.598 -6.399 -38.624 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -10.426 -8.521 -38.602 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.739 -7.903 -36.962 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -11.731 -9.226 -37.619 1.00 1.00 H new ATOM 1122 N GLN A 69 -12.159 -7.415 -40.826 1.00 1.00 N ATOM 1123 CA GLN A 69 -12.681 -7.703 -42.162 1.00 1.00 C ATOM 1124 C GLN A 69 -11.556 -8.074 -43.136 1.00 1.00 C ATOM 1125 O GLN A 69 -10.411 -7.658 -42.934 1.00 1.00 O ATOM 1126 CB GLN A 69 -13.544 -6.447 -42.655 1.00 1.00 C ATOM 1127 CG GLN A 69 -12.756 -5.131 -42.773 1.00 1.00 C ATOM 1128 CD GLN A 69 -13.595 -3.903 -42.814 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -14.030 -3.411 -41.778 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -13.869 -3.433 -44.005 1.00 1.00 N ATOM 0 H GLN A 69 -11.295 -6.872 -40.826 1.00 1.00 H new ATOM 0 HA GLN A 69 -13.333 -8.576 -42.127 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -13.980 -6.682 -43.626 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -14.372 -6.298 -41.962 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -12.070 -5.058 -41.929 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -12.147 -5.168 -43.676 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -13.479 -3.883 -44.833 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -14.473 -2.617 -44.105 1.00 1.00 H new ATOM 1139 N CYS A 70 -11.946 -8.787 -44.212 1.00 1.00 N ATOM 1140 CA CYS A 70 -11.033 -9.125 -45.322 1.00 1.00 C ATOM 1141 C CYS A 70 -11.100 -7.987 -46.337 1.00 1.00 C ATOM 1142 O CYS A 70 -12.214 -7.616 -46.819 1.00 1.00 O ATOM 1143 CB CYS A 70 -11.372 -10.450 -45.952 1.00 1.00 C ATOM 1144 SG CYS A 70 -11.486 -11.824 -44.798 1.00 1.00 S ATOM 0 H CYS A 70 -12.894 -9.142 -44.336 1.00 1.00 H new ATOM 0 HA CYS A 70 -10.017 -9.233 -44.942 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -12.322 -10.355 -46.477 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -10.616 -10.685 -46.701 1.00 1.00 H new ATOM 0 HG CYS A 70 -12.669 -11.842 -44.260 1.00 1.00 H new ATOM 1150 N ARG A 71 -9.921 -7.397 -46.638 1.00 1.00 N ATOM 1151 CA ARG A 71 -9.820 -6.228 -47.535 1.00 1.00 C ATOM 1152 C ARG A 71 -9.764 -6.565 -49.036 1.00 1.00 C ATOM 1153 O ARG A 71 -9.978 -5.669 -49.888 1.00 1.00 O ATOM 1154 CB ARG A 71 -8.624 -5.398 -47.159 1.00 1.00 C ATOM 1155 CG ARG A 71 -8.989 -4.083 -46.528 1.00 1.00 C ATOM 1156 CD ARG A 71 -7.764 -3.281 -46.286 1.00 1.00 C ATOM 1157 NE ARG A 71 -8.072 -1.942 -45.777 1.00 1.00 N ATOM 1158 CZ ARG A 71 -7.293 -0.892 -46.037 1.00 1.00 C ATOM 1159 NH1 ARG A 71 -6.000 -1.072 -46.237 1.00 1.00 N ATOM 1160 NH2 ARG A 71 -7.786 0.312 -46.016 1.00 1.00 N ATOM 0 H ARG A 71 -9.024 -7.714 -46.270 1.00 1.00 H new ATOM 0 HA ARG A 71 -10.746 -5.672 -47.392 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -8.000 -5.964 -46.468 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -8.025 -5.212 -48.050 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -9.671 -3.535 -47.178 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -9.514 -4.254 -45.588 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -7.126 -3.802 -45.572 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.199 -3.194 -47.214 1.00 1.00 H new ATOM 0 HE ARG A 71 -8.907 -1.809 -45.207 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -5.603 -2.010 -46.192 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -5.399 -0.273 -46.436 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -8.772 0.455 -45.800 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -7.186 1.112 -46.216 1.00 1.00 H new ATOM 1174 N LYS A 72 -9.588 -7.877 -49.343 1.00 1.00 N ATOM 1175 CA LYS A 72 -9.456 -8.374 -50.714 1.00 1.00 C ATOM 1176 C LYS A 72 -10.773 -8.829 -51.350 1.00 1.00 C ATOM 1177 O LYS A 72 -11.123 -8.349 -52.441 1.00 1.00 O ATOM 1178 CB LYS A 72 -8.456 -9.515 -50.748 1.00 1.00 C ATOM 1179 CG LYS A 72 -7.141 -9.149 -51.375 1.00 1.00 C ATOM 1180 CD LYS A 72 -6.153 -10.291 -51.265 1.00 1.00 C ATOM 1181 CE LYS A 72 -4.838 -9.948 -51.939 1.00 1.00 C ATOM 1182 NZ LYS A 72 -3.844 -11.044 -51.799 1.00 1.00 N ATOM 0 H LYS A 72 -9.535 -8.611 -48.637 1.00 1.00 H new ATOM 0 HA LYS A 72 -9.109 -7.529 -51.308 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.279 -9.861 -49.730 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.890 -10.350 -51.298 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.292 -8.894 -52.424 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -6.735 -8.263 -50.887 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.976 -10.522 -50.215 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -6.576 -11.186 -51.722 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -5.013 -9.748 -52.996 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.434 -9.033 -51.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -3.085 -10.744 -51.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -4.311 -11.889 -51.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.440 -11.267 -52.731 1.00 1.00 H new ATOM 1196 N CYS A 73 -11.538 -9.642 -50.578 1.00 1.00 N ATOM 1197 CA CYS A 73 -12.814 -10.181 -51.049 1.00 1.00 C ATOM 1198 C CYS A 73 -14.014 -9.372 -50.591 1.00 1.00 C ATOM 1199 O CYS A 73 -15.110 -9.468 -51.192 1.00 1.00 O ATOM 1200 CB CYS A 73 -12.957 -11.637 -50.595 1.00 1.00 C ATOM 1201 SG CYS A 73 -12.523 -11.952 -48.858 1.00 1.00 S ATOM 0 H CYS A 73 -11.284 -9.930 -49.633 1.00 1.00 H new ATOM 0 HA CYS A 73 -12.800 -10.123 -52.137 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -13.988 -11.952 -50.758 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -12.328 -12.262 -51.229 1.00 1.00 H new ATOM 0 HG CYS A 73 -13.215 -12.959 -48.414 1.00 1.00 H new ATOM 1207 N GLY A 74 -13.793 -8.541 -49.511 1.00 1.00 N ATOM 1208 CA GLY A 74 -14.855 -7.725 -48.937 1.00 1.00 C ATOM 1209 C GLY A 74 -15.566 -8.376 -47.786 1.00 1.00 C ATOM 1210 O GLY A 74 -16.298 -7.692 -47.061 1.00 1.00 O ATOM 0 H GLY A 74 -12.890 -8.441 -49.047 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -14.432 -6.778 -48.602 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -15.582 -7.491 -49.715 1.00 1.00 H new ATOM 1214 N PHE A 75 -15.367 -9.751 -47.666 1.00 1.00 N ATOM 1215 CA PHE A 75 -15.954 -10.564 -46.593 1.00 1.00 C ATOM 1216 C PHE A 75 -15.619 -9.998 -45.192 1.00 1.00 C ATOM 1217 O PHE A 75 -14.475 -9.628 -44.936 1.00 1.00 O ATOM 1218 CB PHE A 75 -15.487 -12.022 -46.691 1.00 1.00 C ATOM 1219 CG PHE A 75 -16.566 -13.043 -46.362 1.00 1.00 C ATOM 1220 CD1 PHE A 75 -17.566 -13.336 -47.283 1.00 1.00 C ATOM 1221 CD2 PHE A 75 -16.575 -13.675 -45.127 1.00 1.00 C ATOM 1222 CE1 PHE A 75 -18.545 -14.229 -46.986 1.00 1.00 C ATOM 1223 CE2 PHE A 75 -17.559 -14.577 -44.826 1.00 1.00 C ATOM 1224 CZ PHE A 75 -18.547 -14.856 -45.756 1.00 1.00 C ATOM 0 H PHE A 75 -14.797 -10.289 -48.319 1.00 1.00 H new ATOM 0 HA PHE A 75 -17.036 -10.527 -46.723 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -15.121 -12.208 -47.701 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -14.645 -12.169 -46.015 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -17.564 -12.847 -48.246 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -15.805 -13.455 -44.403 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -19.318 -14.448 -47.708 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -17.565 -15.070 -43.865 1.00 1.00 H new ATOM 0 HZ PHE A 75 -19.323 -15.568 -45.518 1.00 1.00 H new ATOM 1234 N VAL A 76 -16.648 -9.924 -44.373 1.00 1.00 N ATOM 1235 CA VAL A 76 -16.557 -9.316 -43.046 1.00 1.00 C ATOM 1236 C VAL A 76 -16.618 -10.363 -41.963 1.00 1.00 C ATOM 1237 O VAL A 76 -17.514 -11.247 -41.993 1.00 1.00 O ATOM 1238 CB VAL A 76 -17.666 -8.235 -42.800 1.00 1.00 C ATOM 1239 CG1 VAL A 76 -17.146 -6.846 -43.143 1.00 1.00 C ATOM 1240 CG2 VAL A 76 -18.948 -8.544 -43.593 1.00 1.00 C ATOM 0 H VAL A 76 -17.575 -10.282 -44.602 1.00 1.00 H new ATOM 0 HA VAL A 76 -15.590 -8.814 -43.008 1.00 1.00 H new ATOM 0 HB VAL A 76 -17.921 -8.261 -41.740 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -17.930 -6.110 -42.966 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -16.284 -6.616 -42.517 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -16.851 -6.817 -44.192 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -19.692 -7.773 -43.396 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -18.720 -8.565 -44.659 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -19.341 -9.514 -43.287 1.00 1.00 H new ATOM 1250 N PHE A 77 -15.631 -10.301 -41.070 1.00 1.00 N ATOM 1251 CA PHE A 77 -15.563 -11.244 -39.953 1.00 1.00 C ATOM 1252 C PHE A 77 -16.080 -10.637 -38.675 1.00 1.00 C ATOM 1253 O PHE A 77 -15.962 -9.409 -38.479 1.00 1.00 O ATOM 1254 CB PHE A 77 -14.114 -11.751 -39.778 1.00 1.00 C ATOM 1255 CG PHE A 77 -13.771 -12.975 -40.602 1.00 1.00 C ATOM 1256 CD1 PHE A 77 -13.344 -12.850 -41.918 1.00 1.00 C ATOM 1257 CD2 PHE A 77 -13.886 -14.243 -40.047 1.00 1.00 C ATOM 1258 CE1 PHE A 77 -13.047 -13.958 -42.660 1.00 1.00 C ATOM 1259 CE2 PHE A 77 -13.588 -15.348 -40.788 1.00 1.00 C ATOM 1260 CZ PHE A 77 -13.167 -15.211 -42.097 1.00 1.00 C ATOM 0 H PHE A 77 -14.875 -9.616 -41.096 1.00 1.00 H new ATOM 0 HA PHE A 77 -16.208 -12.091 -40.187 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -13.427 -10.947 -40.042 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -13.947 -11.979 -38.725 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -13.246 -11.869 -42.358 1.00 1.00 H new ATOM 0 HD2 PHE A 77 -14.213 -14.354 -39.024 1.00 1.00 H new ATOM 0 HE1 PHE A 77 -12.719 -13.853 -43.684 1.00 1.00 H new ATOM 0 HE2 PHE A 77 -13.681 -16.331 -40.351 1.00 1.00 H new ATOM 0 HZ PHE A 77 -12.931 -16.088 -42.681 1.00 1.00 H new ATOM 1270 N LYS A 78 -16.652 -11.511 -37.811 1.00 1.00 N ATOM 1271 CA LYS A 78 -17.172 -11.083 -36.485 1.00 1.00 C ATOM 1272 C LYS A 78 -16.011 -10.627 -35.577 1.00 1.00 C ATOM 1273 O LYS A 78 -14.866 -11.144 -35.734 1.00 1.00 O ATOM 1274 CB LYS A 78 -17.965 -12.196 -35.831 1.00 1.00 C ATOM 1275 CG LYS A 78 -19.453 -12.103 -36.092 1.00 1.00 C ATOM 1276 CD LYS A 78 -20.228 -11.997 -34.790 1.00 1.00 C ATOM 1277 CE LYS A 78 -21.355 -10.981 -34.892 1.00 1.00 C ATOM 1278 NZ LYS A 78 -22.077 -10.823 -33.600 1.00 1.00 N ATOM 0 H LYS A 78 -16.765 -12.506 -38.004 1.00 1.00 H new ATOM 0 HA LYS A 78 -17.845 -10.238 -36.634 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -17.599 -13.156 -36.194 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.790 -12.174 -34.755 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.663 -11.234 -36.716 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -19.784 -12.981 -36.646 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -20.639 -12.972 -34.530 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -19.551 -11.711 -33.985 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -20.949 -10.018 -35.201 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -22.057 -11.294 -35.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -22.837 -10.122 -33.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -22.486 -11.736 -33.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -21.412 -10.500 -32.868 1.00 1.00 H new ATOM 1292 N ALA A 79 -16.293 -9.644 -34.672 1.00 1.00 N ATOM 1293 CA ALA A 79 -15.275 -9.061 -33.766 1.00 1.00 C ATOM 1294 C ALA A 79 -14.796 -10.094 -32.728 1.00 1.00 C ATOM 1295 O ALA A 79 -15.617 -10.720 -32.014 1.00 1.00 O ATOM 1296 CB ALA A 79 -15.811 -7.840 -33.100 1.00 1.00 C ATOM 0 H ALA A 79 -17.223 -9.242 -34.556 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.411 -8.774 -34.365 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.052 -7.424 -32.438 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -16.078 -7.101 -33.855 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -16.695 -8.101 -32.519 1.00 1.00 H new ATOM 1302 N GLU A 80 -13.468 -10.345 -32.776 1.00 1.00 N ATOM 1303 CA GLU A 80 -12.816 -11.363 -31.946 1.00 1.00 C ATOM 1304 C GLU A 80 -11.639 -10.748 -31.160 1.00 1.00 C ATOM 1305 O GLU A 80 -11.445 -9.526 -31.164 1.00 1.00 O ATOM 1306 CB GLU A 80 -12.353 -12.528 -32.835 1.00 1.00 C ATOM 1307 CG GLU A 80 -13.360 -13.659 -32.960 1.00 1.00 C ATOM 1308 CD GLU A 80 -12.881 -14.735 -33.903 1.00 1.00 C ATOM 1309 OE1 GLU A 80 -13.136 -14.615 -35.122 1.00 1.00 O ATOM 1310 OE2 GLU A 80 -12.242 -15.697 -33.427 1.00 1.00 O ATOM 0 H GLU A 80 -12.827 -9.845 -33.392 1.00 1.00 H new ATOM 0 HA GLU A 80 -13.528 -11.748 -31.216 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.131 -12.144 -33.830 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.422 -12.929 -32.433 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -13.543 -14.093 -31.977 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -14.311 -13.261 -33.315 1.00 1.00 H new ATOM 1317 N ILE A 81 -11.028 -11.608 -30.342 1.00 1.00 N ATOM 1318 CA ILE A 81 -9.880 -11.232 -29.496 1.00 1.00 C ATOM 1319 C ILE A 81 -8.560 -11.778 -30.133 1.00 1.00 C ATOM 1320 O ILE A 81 -7.848 -11.003 -30.770 1.00 1.00 O ATOM 1321 CB ILE A 81 -10.079 -11.692 -28.024 1.00 1.00 C ATOM 1322 CG1 ILE A 81 -10.992 -12.958 -27.952 1.00 1.00 C ATOM 1323 CG2 ILE A 81 -10.642 -10.555 -27.218 1.00 1.00 C ATOM 1324 CD1 ILE A 81 -10.321 -14.153 -27.348 1.00 1.00 C ATOM 0 H ILE A 81 -11.310 -12.583 -30.243 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.805 -10.145 -29.455 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.114 -11.973 -27.601 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.882 -12.720 -27.370 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -11.327 -13.211 -28.958 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.782 -10.875 -26.186 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.951 -9.712 -27.246 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.601 -10.252 -27.637 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.017 -14.992 -27.332 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.447 -14.418 -27.942 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.011 -13.920 -26.329 1.00 1.00 H new ATOM 1336 N ASN A 82 -8.255 -13.096 -29.841 1.00 1.00 N ATOM 1337 CA ASN A 82 -7.114 -13.820 -30.458 1.00 1.00 C ATOM 1338 C ASN A 82 -7.339 -13.819 -31.999 1.00 1.00 C ATOM 1339 O ASN A 82 -8.519 -13.938 -32.462 1.00 1.00 O ATOM 1340 CB ASN A 82 -7.000 -15.228 -29.901 1.00 1.00 C ATOM 1341 CG ASN A 82 -6.118 -15.303 -28.685 1.00 1.00 C ATOM 1342 OD1 ASN A 82 -6.561 -15.060 -27.564 1.00 1.00 O ATOM 1343 ND2 ASN A 82 -4.879 -15.697 -28.899 1.00 1.00 N ATOM 0 H ASN A 82 -8.792 -13.661 -29.183 1.00 1.00 H new ATOM 0 HA ASN A 82 -6.171 -13.325 -30.225 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -7.994 -15.595 -29.646 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -6.604 -15.888 -30.673 1.00 1.00 H new ATOM 0 HD21 ASN A 82 -4.238 -15.813 -28.114 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -4.561 -15.886 -29.850 1.00 1.00 H new ATOM 1350 N ILE A 83 -6.246 -13.673 -32.745 1.00 1.00 N ATOM 1351 CA ILE A 83 -6.279 -13.556 -34.178 1.00 1.00 C ATOM 1352 C ILE A 83 -5.986 -14.919 -34.913 1.00 1.00 C ATOM 1353 O ILE A 83 -5.063 -15.636 -34.513 1.00 1.00 O ATOM 1354 CB ILE A 83 -5.287 -12.422 -34.661 1.00 1.00 C ATOM 1355 CG1 ILE A 83 -5.807 -11.770 -35.964 1.00 1.00 C ATOM 1356 CG2 ILE A 83 -3.856 -12.960 -34.841 1.00 1.00 C ATOM 1357 CD1 ILE A 83 -6.181 -10.333 -35.801 1.00 1.00 C ATOM 0 H ILE A 83 -5.305 -13.634 -32.353 1.00 1.00 H new ATOM 0 HA ILE A 83 -7.296 -13.277 -34.452 1.00 1.00 H new ATOM 0 HB ILE A 83 -5.247 -11.657 -33.885 1.00 1.00 H new ATOM 0 HG12 ILE A 83 -5.040 -11.853 -36.734 1.00 1.00 H new ATOM 0 HG13 ILE A 83 -6.675 -12.326 -36.318 1.00 1.00 H new ATOM 0 HG21 ILE A 83 -3.203 -12.153 -35.173 1.00 1.00 H new ATOM 0 HG22 ILE A 83 -3.493 -13.353 -33.891 1.00 1.00 H new ATOM 0 HG23 ILE A 83 -3.857 -13.756 -35.586 1.00 1.00 H new ATOM 0 HD11 ILE A 83 -6.537 -9.939 -36.753 1.00 1.00 H new ATOM 0 HD12 ILE A 83 -6.970 -10.245 -35.054 1.00 1.00 H new ATOM 0 HD13 ILE A 83 -5.309 -9.765 -35.477 1.00 1.00 H new ATOM 1369 N PRO A 84 -6.733 -15.206 -36.041 1.00 1.00 N ATOM 1370 CA PRO A 84 -6.379 -16.324 -36.924 1.00 1.00 C ATOM 1371 C PRO A 84 -5.229 -16.026 -37.934 1.00 1.00 C ATOM 1372 O PRO A 84 -5.026 -14.847 -38.345 1.00 1.00 O ATOM 1373 CB PRO A 84 -7.691 -16.618 -37.632 1.00 1.00 C ATOM 1374 CG PRO A 84 -8.743 -15.868 -36.878 1.00 1.00 C ATOM 1375 CD PRO A 84 -8.063 -14.634 -36.467 1.00 1.00 C ATOM 0 HA PRO A 84 -5.973 -17.163 -36.358 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -7.653 -16.297 -38.673 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -7.901 -17.688 -37.636 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -9.611 -15.658 -37.503 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -9.100 -16.434 -36.018 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -7.968 -13.918 -37.283 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -8.578 -14.124 -35.653 1.00 1.00 H new ATOM 1383 N SER A 85 -4.514 -17.106 -38.301 1.00 1.00 N ATOM 1384 CA SER A 85 -3.463 -17.057 -39.332 1.00 1.00 C ATOM 1385 C SER A 85 -4.060 -17.254 -40.740 1.00 1.00 C ATOM 1386 O SER A 85 -3.435 -16.909 -41.758 1.00 1.00 O ATOM 1387 CB SER A 85 -2.388 -18.087 -39.066 1.00 1.00 C ATOM 1388 OG SER A 85 -1.450 -17.587 -38.147 1.00 1.00 O ATOM 0 H SER A 85 -4.648 -18.031 -37.893 1.00 1.00 H new ATOM 0 HA SER A 85 -3.005 -16.069 -39.288 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.838 -19.000 -38.676 1.00 1.00 H new ATOM 0 HB3 SER A 85 -1.889 -18.351 -39.998 1.00 1.00 H new ATOM 0 HG SER A 85 -0.761 -18.264 -37.982 1.00 1.00 H new ATOM 1394 N ARG A 86 -5.313 -17.801 -40.778 1.00 1.00 N ATOM 1395 CA ARG A 86 -6.057 -18.077 -42.015 1.00 1.00 C ATOM 1396 C ARG A 86 -7.548 -17.948 -41.769 1.00 1.00 C ATOM 1397 O ARG A 86 -8.049 -18.423 -40.714 1.00 1.00 O ATOM 1398 CB ARG A 86 -5.664 -19.488 -42.619 1.00 1.00 C ATOM 1399 CG ARG A 86 -5.489 -20.599 -41.578 1.00 1.00 C ATOM 1400 CD ARG A 86 -4.441 -21.529 -41.977 1.00 1.00 C ATOM 1401 NE ARG A 86 -4.361 -22.678 -41.088 1.00 1.00 N ATOM 1402 CZ ARG A 86 -3.438 -23.640 -41.226 1.00 1.00 C ATOM 1403 NH1 ARG A 86 -2.329 -23.405 -41.906 1.00 1.00 N ATOM 1404 NH2 ARG A 86 -3.618 -24.811 -40.690 1.00 1.00 N ATOM 0 H ARG A 86 -5.826 -18.059 -39.935 1.00 1.00 H new ATOM 0 HA ARG A 86 -5.782 -17.334 -42.764 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -6.433 -19.791 -43.330 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -4.735 -19.383 -43.179 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -5.242 -20.160 -40.611 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -6.429 -21.137 -41.453 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -4.629 -21.871 -42.995 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.482 -21.011 -41.987 1.00 1.00 H new ATOM 0 HE ARG A 86 -5.036 -22.755 -40.327 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -2.174 -22.489 -42.328 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -1.629 -24.139 -42.009 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -4.467 -25.004 -40.159 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -2.910 -25.537 -40.801 1.00 1.00 H new ATOM 1418 N CYS A 87 -8.273 -17.470 -42.827 1.00 1.00 N ATOM 1419 CA CYS A 87 -9.728 -17.337 -42.794 1.00 1.00 C ATOM 1420 C CYS A 87 -10.394 -18.734 -42.935 1.00 1.00 C ATOM 1421 O CYS A 87 -10.005 -19.506 -43.839 1.00 1.00 O ATOM 1422 CB CYS A 87 -10.248 -16.375 -43.837 1.00 1.00 C ATOM 1423 SG CYS A 87 -9.566 -14.716 -43.710 1.00 1.00 S ATOM 0 H CYS A 87 -7.852 -17.175 -43.708 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.996 -16.912 -41.827 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -10.025 -16.773 -44.827 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -11.333 -16.318 -43.754 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.431 -13.856 -44.159 1.00 1.00 H new ATOM 1509 N GLU A 93 -4.879 -14.117 -47.314 1.00 1.00 N ATOM 1510 CA GLU A 93 -3.662 -13.454 -46.842 1.00 1.00 C ATOM 1511 C GLU A 93 -3.909 -12.043 -46.286 1.00 1.00 C ATOM 1512 O GLU A 93 -3.233 -11.672 -45.311 1.00 1.00 O ATOM 1513 CB GLU A 93 -2.672 -13.428 -48.016 1.00 1.00 C ATOM 1514 CG GLU A 93 -1.631 -14.534 -47.975 1.00 1.00 C ATOM 1515 CD GLU A 93 -0.666 -14.441 -49.135 1.00 1.00 C ATOM 1516 OE1 GLU A 93 -0.945 -15.042 -50.198 1.00 1.00 O ATOM 1517 OE2 GLU A 93 0.362 -13.752 -48.987 1.00 1.00 O ATOM 0 HA GLU A 93 -3.258 -14.015 -45.999 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -3.230 -13.503 -48.949 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -2.162 -12.464 -48.026 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -1.078 -14.478 -47.037 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -2.130 -15.503 -47.994 1.00 1.00 H new ATOM 1524 N TRP A 94 -4.863 -11.321 -46.924 1.00 1.00 N ATOM 1525 CA TRP A 94 -5.175 -9.934 -46.572 1.00 1.00 C ATOM 1526 C TRP A 94 -6.318 -9.791 -45.581 1.00 1.00 C ATOM 1527 O TRP A 94 -7.515 -9.852 -45.955 1.00 1.00 O ATOM 1528 CB TRP A 94 -5.470 -9.131 -47.821 1.00 1.00 C ATOM 1529 CG TRP A 94 -4.545 -7.961 -48.027 1.00 1.00 C ATOM 1530 CD1 TRP A 94 -4.763 -6.669 -47.629 1.00 1.00 C ATOM 1531 CD2 TRP A 94 -3.264 -7.965 -48.704 1.00 1.00 C ATOM 1532 NE1 TRP A 94 -3.710 -5.881 -48.006 1.00 1.00 N ATOM 1533 CE2 TRP A 94 -2.782 -6.655 -48.661 1.00 1.00 C ATOM 1534 CE3 TRP A 94 -2.489 -8.963 -49.327 1.00 1.00 C ATOM 1535 CZ2 TRP A 94 -1.562 -6.308 -49.224 1.00 1.00 C ATOM 1536 CZ3 TRP A 94 -1.294 -8.623 -49.877 1.00 1.00 C ATOM 1537 CH2 TRP A 94 -0.833 -7.303 -49.824 1.00 1.00 C ATOM 0 H TRP A 94 -5.428 -11.690 -47.689 1.00 1.00 H new ATOM 0 HA TRP A 94 -4.288 -9.544 -46.073 1.00 1.00 H new ATOM 0 HB2 TRP A 94 -5.406 -9.789 -48.688 1.00 1.00 H new ATOM 0 HB3 TRP A 94 -6.496 -8.766 -47.773 1.00 1.00 H new ATOM 0 HD1 TRP A 94 -5.637 -6.323 -47.096 1.00 1.00 H new ATOM 0 HE1 TRP A 94 -3.627 -4.880 -47.829 1.00 1.00 H new ATOM 0 HE3 TRP A 94 -2.840 -9.984 -49.367 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 -1.200 -5.291 -49.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 -0.694 -9.380 -50.360 1.00 1.00 H new ATOM 0 HH2 TRP A 94 0.122 -7.061 -50.267 1.00 1.00 H new ATOM 1548 N ILE A 95 -5.932 -9.711 -44.292 1.00 1.00 N ATOM 1549 CA ILE A 95 -6.919 -9.562 -43.211 1.00 1.00 C ATOM 1550 C ILE A 95 -6.609 -8.260 -42.462 1.00 1.00 C ATOM 1551 O ILE A 95 -5.435 -7.957 -42.203 1.00 1.00 O ATOM 1552 CB ILE A 95 -6.975 -10.789 -42.200 1.00 1.00 C ATOM 1553 CG1 ILE A 95 -6.701 -12.140 -42.906 1.00 1.00 C ATOM 1554 CG2 ILE A 95 -8.352 -10.858 -41.496 1.00 1.00 C ATOM 1555 CD1 ILE A 95 -5.620 -12.965 -42.255 1.00 1.00 C ATOM 0 H ILE A 95 -4.961 -9.746 -43.980 1.00 1.00 H new ATOM 0 HA ILE A 95 -7.907 -9.534 -43.670 1.00 1.00 H new ATOM 0 HB ILE A 95 -6.190 -10.620 -41.463 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -7.623 -12.720 -42.927 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -6.422 -11.947 -43.942 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -8.368 -11.704 -40.809 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -8.523 -9.936 -40.940 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -9.137 -10.982 -42.243 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -5.489 -13.895 -42.809 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -4.684 -12.406 -42.258 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -5.904 -13.192 -41.227 1.00 1.00 H new ATOM 1567 N GLU A 96 -7.714 -7.548 -42.102 1.00 1.00 N ATOM 1568 CA GLU A 96 -7.611 -6.301 -41.328 1.00 1.00 C ATOM 1569 C GLU A 96 -7.743 -6.606 -39.838 1.00 1.00 C ATOM 1570 O GLU A 96 -8.589 -7.447 -39.438 1.00 1.00 O ATOM 1571 CB GLU A 96 -8.623 -5.298 -41.798 1.00 1.00 C ATOM 1572 CG GLU A 96 -8.039 -4.213 -42.682 1.00 1.00 C ATOM 1573 CD GLU A 96 -8.943 -2.998 -42.768 1.00 1.00 C ATOM 1574 OE1 GLU A 96 -9.852 -2.986 -43.627 1.00 1.00 O ATOM 1575 OE2 GLU A 96 -8.740 -2.055 -41.975 1.00 1.00 O ATOM 0 H GLU A 96 -8.668 -7.821 -42.337 1.00 1.00 H new ATOM 0 HA GLU A 96 -6.630 -5.854 -41.489 1.00 1.00 H new ATOM 0 HB2 GLU A 96 -9.409 -5.817 -42.346 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -9.092 -4.834 -40.930 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -7.066 -3.913 -42.292 1.00 1.00 H new ATOM 0 HG3 GLU A 96 -7.873 -4.612 -43.683 1.00 1.00 H new ATOM 1582 N GLU A 97 -6.838 -5.984 -39.022 1.00 1.00 N ATOM 1583 CA GLU A 97 -6.827 -6.176 -37.577 1.00 1.00 C ATOM 1584 C GLU A 97 -7.892 -5.305 -36.873 1.00 1.00 C ATOM 1585 O GLU A 97 -8.228 -4.208 -37.368 1.00 1.00 O ATOM 1586 CB GLU A 97 -5.475 -5.904 -36.964 1.00 1.00 C ATOM 1587 CG GLU A 97 -4.650 -7.158 -36.767 1.00 1.00 C ATOM 1588 CD GLU A 97 -3.319 -7.066 -37.469 1.00 1.00 C ATOM 1589 OE1 GLU A 97 -2.353 -6.574 -36.847 1.00 1.00 O ATOM 1590 OE2 GLU A 97 -3.243 -7.470 -38.651 1.00 1.00 O ATOM 0 H GLU A 97 -6.115 -5.349 -39.362 1.00 1.00 H new ATOM 0 HA GLU A 97 -7.066 -7.228 -37.421 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.926 -5.211 -37.602 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -5.611 -5.411 -36.002 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -4.489 -7.324 -35.702 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -5.201 -8.019 -37.144 1.00 1.00 H new ATOM 1597 N PRO A 98 -8.521 -5.816 -35.720 1.00 1.00 N ATOM 1598 CA PRO A 98 -9.523 -5.046 -34.967 1.00 1.00 C ATOM 1599 C PRO A 98 -8.970 -3.853 -34.149 1.00 1.00 C ATOM 1600 O PRO A 98 -7.731 -3.718 -33.932 1.00 1.00 O ATOM 1601 CB PRO A 98 -10.151 -6.100 -34.069 1.00 1.00 C ATOM 1602 CG PRO A 98 -9.761 -7.405 -34.656 1.00 1.00 C ATOM 1603 CD PRO A 98 -8.390 -7.182 -35.111 1.00 1.00 C ATOM 0 HA PRO A 98 -10.219 -4.549 -35.643 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -9.791 -6.007 -33.044 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -11.235 -5.993 -34.037 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -9.814 -8.207 -33.920 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -10.416 -7.685 -35.481 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -7.673 -7.203 -34.291 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.067 -7.929 -35.836 1.00 1.00 H new ATOM 1611 N ARG A 99 -9.923 -2.955 -33.776 1.00 1.00 N ATOM 1612 CA ARG A 99 -9.619 -1.777 -32.982 1.00 1.00 C ATOM 1613 C ARG A 99 -10.263 -1.904 -31.614 1.00 1.00 C ATOM 1614 O ARG A 99 -11.424 -2.374 -31.492 1.00 1.00 O ATOM 1615 CB ARG A 99 -10.039 -0.507 -33.693 1.00 1.00 C ATOM 1616 CG ARG A 99 -8.932 0.076 -34.537 1.00 1.00 C ATOM 1617 CD ARG A 99 -9.492 0.839 -35.683 1.00 1.00 C ATOM 1618 NE ARG A 99 -8.438 1.493 -36.459 1.00 1.00 N ATOM 1619 CZ ARG A 99 -8.415 1.531 -37.805 1.00 1.00 C ATOM 1620 NH1 ARG A 99 -9.473 1.164 -38.503 1.00 1.00 N ATOM 1621 NH2 ARG A 99 -7.343 1.933 -38.418 1.00 1.00 N ATOM 0 H ARG A 99 -10.908 -3.044 -34.025 1.00 1.00 H new ATOM 0 HA ARG A 99 -8.540 -1.710 -32.847 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -10.902 -0.717 -34.325 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -10.356 0.230 -32.956 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -8.309 0.731 -33.927 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -8.289 -0.723 -34.905 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -10.056 0.166 -36.329 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -10.192 1.589 -35.315 1.00 1.00 H new ATOM 0 HE ARG A 99 -7.678 1.946 -35.952 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -10.316 0.849 -38.023 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -9.448 1.196 -39.522 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -6.524 2.218 -37.880 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -7.320 1.964 -39.437 1.00 1.00 H new ATOM 1635 N PHE A 100 -9.486 -1.487 -30.592 1.00 1.00 N ATOM 1636 CA PHE A 100 -9.930 -1.550 -29.194 1.00 1.00 C ATOM 1637 C PHE A 100 -10.120 -0.183 -28.620 1.00 1.00 C ATOM 1638 O PHE A 100 -9.236 0.694 -28.770 1.00 1.00 O ATOM 1639 CB PHE A 100 -8.935 -2.364 -28.355 1.00 1.00 C ATOM 1640 CG PHE A 100 -9.022 -3.869 -28.557 1.00 1.00 C ATOM 1641 CD1 PHE A 100 -9.896 -4.627 -27.802 1.00 1.00 C ATOM 1642 CD2 PHE A 100 -8.231 -4.494 -29.518 1.00 1.00 C ATOM 1643 CE1 PHE A 100 -9.987 -5.974 -27.994 1.00 1.00 C ATOM 1644 CE2 PHE A 100 -8.322 -5.842 -29.714 1.00 1.00 C ATOM 1645 CZ PHE A 100 -9.201 -6.586 -28.951 1.00 1.00 C ATOM 0 H PHE A 100 -8.549 -1.104 -30.715 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.897 -2.052 -29.169 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -7.924 -2.036 -28.595 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.101 -2.142 -27.301 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.512 -4.149 -27.054 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.543 -3.910 -30.111 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -10.672 -6.561 -27.400 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -7.710 -6.324 -30.462 1.00 1.00 H new ATOM 0 HZ PHE A 100 -9.274 -7.653 -29.104 1.00 1.00 H new ATOM 1655 N LYS A 101 -11.317 0.031 -28.035 1.00 1.00 N ATOM 1656 CA LYS A 101 -11.669 1.331 -27.426 1.00 1.00 C ATOM 1657 C LYS A 101 -12.383 1.131 -26.108 1.00 1.00 C ATOM 1658 O LYS A 101 -13.114 0.130 -25.937 1.00 1.00 O ATOM 1659 CB LYS A 101 -12.531 2.184 -28.388 1.00 1.00 C ATOM 1660 CG LYS A 101 -11.705 3.046 -29.338 1.00 1.00 C ATOM 1661 CD LYS A 101 -12.509 4.237 -29.818 1.00 1.00 C ATOM 1662 CE LYS A 101 -11.960 4.793 -31.120 1.00 1.00 C ATOM 1663 NZ LYS A 101 -12.990 5.538 -31.900 1.00 1.00 N ATOM 0 H LYS A 101 -12.051 -0.674 -27.972 1.00 1.00 H new ATOM 0 HA LYS A 101 -10.742 1.871 -27.236 1.00 1.00 H new ATOM 0 HB2 LYS A 101 -13.172 1.524 -28.972 1.00 1.00 H new ATOM 0 HB3 LYS A 101 -13.187 2.828 -27.802 1.00 1.00 H new ATOM 0 HG2 LYS A 101 -10.803 3.390 -28.833 1.00 1.00 H new ATOM 0 HG3 LYS A 101 -11.384 2.450 -30.192 1.00 1.00 H new ATOM 0 HD2 LYS A 101 -13.549 3.942 -29.957 1.00 1.00 H new ATOM 0 HD3 LYS A 101 -12.498 5.016 -29.055 1.00 1.00 H new ATOM 0 HE2 LYS A 101 -11.122 5.456 -30.904 1.00 1.00 H new ATOM 0 HE3 LYS A 101 -11.571 3.975 -31.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 101 -12.567 5.898 -32.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 101 -13.779 4.901 -32.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 101 -13.344 6.336 -31.335 1.00 1.00 H new ATOM 1677 N LEU A 102 -12.208 2.113 -25.176 1.00 1.00 N ATOM 1678 CA LEU A 102 -12.859 2.089 -23.867 1.00 1.00 C ATOM 1679 C LEU A 102 -13.718 3.315 -23.700 1.00 1.00 C ATOM 1680 O LEU A 102 -13.271 4.459 -23.994 1.00 1.00 O ATOM 1681 CB LEU A 102 -11.841 1.996 -22.728 1.00 1.00 C ATOM 1682 CG LEU A 102 -11.571 0.590 -22.197 1.00 1.00 C ATOM 1683 CD1 LEU A 102 -10.154 0.149 -22.518 1.00 1.00 C ATOM 1684 CD2 LEU A 102 -11.802 0.550 -20.699 1.00 1.00 C ATOM 0 H LEU A 102 -11.614 2.928 -25.326 1.00 1.00 H new ATOM 0 HA LEU A 102 -13.485 1.198 -23.820 1.00 1.00 H new ATOM 0 HB2 LEU A 102 -10.898 2.422 -23.071 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -12.189 2.616 -21.902 1.00 1.00 H new ATOM 0 HG LEU A 102 -12.260 -0.099 -22.686 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -9.989 -0.856 -22.129 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -10.009 0.148 -23.598 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -9.446 0.838 -22.058 1.00 1.00 H new ATOM 0 HD21 LEU A 102 -11.607 -0.456 -20.328 1.00 1.00 H new ATOM 0 HD22 LEU A 102 -11.130 1.254 -20.208 1.00 1.00 H new ATOM 0 HD23 LEU A 102 -12.835 0.823 -20.483 1.00 1.00 H new ATOM 1696 N GLU A 103 -14.976 3.081 -23.262 1.00 1.00 N ATOM 1697 CA GLU A 103 -15.930 4.172 -23.027 1.00 1.00 C ATOM 1698 C GLU A 103 -16.354 4.186 -21.564 1.00 1.00 C ATOM 1699 O GLU A 103 -16.690 3.119 -20.991 1.00 1.00 O ATOM 1700 CB GLU A 103 -17.134 4.057 -23.963 1.00 1.00 C ATOM 1701 CG GLU A 103 -17.324 5.268 -24.859 1.00 1.00 C ATOM 1702 CD GLU A 103 -18.410 5.133 -25.988 1.00 1.00 C ATOM 1703 OE1 GLU A 103 -19.596 5.504 -25.745 1.00 1.00 O ATOM 1704 OE2 GLU A 103 -18.059 4.723 -27.132 1.00 1.00 O ATOM 0 H GLU A 103 -15.346 2.151 -23.067 1.00 1.00 H new ATOM 0 HA GLU A 103 -15.442 5.121 -23.248 1.00 1.00 H new ATOM 0 HB2 GLU A 103 -17.017 3.170 -24.585 1.00 1.00 H new ATOM 0 HB3 GLU A 103 -18.035 3.911 -23.367 1.00 1.00 H new ATOM 0 HG2 GLU A 103 -17.586 6.120 -24.232 1.00 1.00 H new ATOM 0 HG3 GLU A 103 -16.368 5.500 -25.329 1.00 1.00 H new ATOM 1711 N ARG A 104 -16.347 5.408 -20.985 1.00 1.00 N ATOM 1712 CA ARG A 104 -16.742 5.597 -19.575 1.00 1.00 C ATOM 1713 C ARG A 104 -18.182 6.149 -19.471 1.00 1.00 C ATOM 1714 O ARG A 104 -18.473 7.211 -20.075 1.00 1.00 O ATOM 1715 CB ARG A 104 -15.790 6.564 -18.875 1.00 1.00 C ATOM 1716 CG ARG A 104 -14.878 5.933 -17.871 1.00 1.00 C ATOM 1717 CD ARG A 104 -14.038 6.979 -17.225 1.00 1.00 C ATOM 1718 NE ARG A 104 -13.202 6.435 -16.154 1.00 1.00 N ATOM 1719 CZ ARG A 104 -12.882 7.110 -15.042 1.00 1.00 C ATOM 1720 NH1 ARG A 104 -13.522 8.224 -14.723 1.00 1.00 N ATOM 1721 NH2 ARG A 104 -11.957 6.645 -14.260 1.00 1.00 N ATOM 0 H ARG A 104 -16.076 6.266 -21.466 1.00 1.00 H new ATOM 0 HA ARG A 104 -16.696 4.622 -19.090 1.00 1.00 H new ATOM 0 HB2 ARG A 104 -15.184 7.065 -19.630 1.00 1.00 H new ATOM 0 HB3 ARG A 104 -16.379 7.334 -18.376 1.00 1.00 H new ATOM 0 HG2 ARG A 104 -15.462 5.405 -17.117 1.00 1.00 H new ATOM 0 HG3 ARG A 104 -14.243 5.193 -18.358 1.00 1.00 H new ATOM 0 HD2 ARG A 104 -13.403 7.447 -17.977 1.00 1.00 H new ATOM 0 HD3 ARG A 104 -14.681 7.760 -16.820 1.00 1.00 H new ATOM 0 HE ARG A 104 -12.842 5.487 -16.260 1.00 1.00 H new ATOM 0 HH11 ARG A 104 -14.266 8.575 -15.326 1.00 1.00 H new ATOM 0 HH12 ARG A 104 -13.271 8.731 -13.874 1.00 1.00 H new ATOM 0 HH21 ARG A 104 -11.481 5.774 -14.495 1.00 1.00 H new ATOM 0 HH22 ARG A 104 -11.705 7.151 -13.411 1.00 1.00 H new ATOM 1735 N LYS A 105 -19.134 5.343 -18.746 1.00 1.00 N ATOM 1736 CA LYS A 105 -20.638 5.672 -18.495 1.00 1.00 C ATOM 1737 C LYS A 105 -20.944 5.940 -16.936 1.00 1.00 C ATOM 1738 O LYS A 105 -20.767 5.025 -16.068 1.00 1.00 O ATOM 1739 CB LYS A 105 -21.624 4.543 -19.133 1.00 1.00 C ATOM 1740 CG LYS A 105 -22.298 4.886 -20.529 1.00 1.00 C ATOM 1741 CD LYS A 105 -23.216 3.753 -21.072 1.00 1.00 C ATOM 1742 CE LYS A 105 -23.864 4.099 -22.434 1.00 1.00 C ATOM 1743 NZ LYS A 105 -24.748 3.002 -22.933 1.00 1.00 N ATOM 1744 OXT LYS A 105 -21.325 7.096 -16.612 1.00 1.00 O ATOM 0 H LYS A 105 -18.864 4.453 -18.327 1.00 1.00 H new ATOM 0 HA LYS A 105 -20.851 6.604 -19.019 1.00 1.00 H new ATOM 0 HB2 LYS A 105 -21.054 3.621 -19.248 1.00 1.00 H new ATOM 0 HB3 LYS A 105 -22.417 4.340 -18.414 1.00 1.00 H new ATOM 0 HG2 LYS A 105 -22.884 5.799 -20.425 1.00 1.00 H new ATOM 0 HG3 LYS A 105 -21.516 5.091 -21.260 1.00 1.00 H new ATOM 0 HD2 LYS A 105 -22.632 2.838 -21.176 1.00 1.00 H new ATOM 0 HD3 LYS A 105 -24.001 3.549 -20.344 1.00 1.00 H new ATOM 0 HE2 LYS A 105 -24.446 5.016 -22.335 1.00 1.00 H new ATOM 0 HE3 LYS A 105 -23.082 4.295 -23.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 -25.160 3.277 -23.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 -24.189 2.133 -23.053 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 -25.511 2.831 -22.247 1.00 1.00 H new