USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 23 GLN :FLIP amide:sc= -0.603 F(o=-1,f=-0.28) USER MOD Set 1.2: A 24 SER OG : rot 25:sc= 0.319 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0369) USER MOD Single : A 28 THR OG1 : rot -84:sc= 1.45 USER MOD Single : A 29 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0426 K(o=-0.043,f=-0.86) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.0391 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.5!) USER MOD Single : A 55 ASN : amide:sc= 0.0026 K(o=0.0026,f=-1.1) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 2.47 (180deg=2.31) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0129 (180deg=-0.169) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00535) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.341 1.438 -9.547 1.00 0.00 N ATOM 152 CA GLU A 13 -8.032 2.084 -9.486 1.00 0.00 C ATOM 153 C GLU A 13 -7.357 1.842 -8.142 1.00 0.00 C ATOM 154 O GLU A 13 -6.139 1.716 -8.100 1.00 0.00 O ATOM 155 CB GLU A 13 -8.079 3.588 -9.785 1.00 0.00 C ATOM 156 CG GLU A 13 -9.111 4.391 -8.988 1.00 0.00 C ATOM 157 CD GLU A 13 -10.407 4.562 -9.771 1.00 0.00 C ATOM 158 OE1 GLU A 13 -11.208 3.607 -9.867 1.00 0.00 O ATOM 159 OE2 GLU A 13 -10.649 5.682 -10.278 1.00 0.00 O ATOM 0 HA GLU A 13 -7.441 1.620 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.092 4.009 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.283 3.722 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.318 3.886 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.701 5.370 -8.742 1.00 0.00 H new ATOM 166 N VAL A 14 -8.122 1.746 -7.054 1.00 0.00 N ATOM 167 CA VAL A 14 -7.613 1.351 -5.750 1.00 0.00 C ATOM 168 C VAL A 14 -6.960 -0.020 -5.878 1.00 0.00 C ATOM 169 O VAL A 14 -5.791 -0.156 -5.541 1.00 0.00 O ATOM 170 CB VAL A 14 -8.762 1.425 -4.729 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.498 0.707 -3.412 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.985 2.885 -4.359 1.00 0.00 C ATOM 0 H VAL A 14 -9.123 1.943 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.838 2.024 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.610 0.943 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.364 0.815 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.318 -0.351 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.623 1.142 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.797 2.957 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.073 3.293 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.245 3.451 -5.253 1.00 0.00 H new ATOM 182 N GLY A 15 -7.678 -1.018 -6.390 1.00 0.00 N ATOM 183 CA GLY A 15 -7.157 -2.358 -6.565 1.00 0.00 C ATOM 184 C GLY A 15 -5.905 -2.385 -7.436 1.00 0.00 C ATOM 185 O GLY A 15 -4.919 -3.029 -7.076 1.00 0.00 O ATOM 0 H GLY A 15 -8.645 -0.911 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.927 -2.786 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.924 -2.987 -7.016 1.00 0.00 H new ATOM 189 N LYS A 16 -5.913 -1.646 -8.550 1.00 0.00 N ATOM 190 CA LYS A 16 -4.750 -1.514 -9.415 1.00 0.00 C ATOM 191 C LYS A 16 -3.588 -0.914 -8.625 1.00 0.00 C ATOM 192 O LYS A 16 -2.541 -1.552 -8.580 1.00 0.00 O ATOM 193 CB LYS A 16 -5.100 -0.710 -10.680 1.00 0.00 C ATOM 194 CG LYS A 16 -3.933 -0.628 -11.683 1.00 0.00 C ATOM 195 CD LYS A 16 -3.666 -1.888 -12.526 1.00 0.00 C ATOM 196 CE LYS A 16 -4.713 -2.062 -13.636 1.00 0.00 C ATOM 197 NZ LYS A 16 -4.258 -2.977 -14.704 1.00 0.00 N ATOM 0 H LYS A 16 -6.729 -1.125 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.433 -2.498 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.960 -1.168 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.396 0.299 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.124 0.203 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.024 -0.387 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.672 -1.825 -12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.671 -2.766 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.637 -2.445 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.944 -1.089 -14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.999 -3.061 -15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.391 -2.600 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.063 -3.914 -14.298 1.00 0.00 H new ATOM 211 N VAL A 17 -3.725 0.266 -8.014 1.00 0.00 N ATOM 212 CA VAL A 17 -2.648 0.925 -7.268 1.00 0.00 C ATOM 213 C VAL A 17 -2.161 0.025 -6.127 1.00 0.00 C ATOM 214 O VAL A 17 -0.960 -0.012 -5.866 1.00 0.00 O ATOM 215 CB VAL A 17 -3.093 2.327 -6.777 1.00 0.00 C ATOM 216 CG1 VAL A 17 -2.058 2.991 -5.858 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.321 3.261 -7.982 1.00 0.00 C ATOM 0 H VAL A 17 -4.596 0.797 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.800 1.085 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.013 2.175 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.423 3.969 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.898 2.366 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.117 3.110 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.633 4.243 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.395 3.357 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.097 2.844 -8.624 1.00 0.00 H new ATOM 227 N ILE A 18 -3.050 -0.729 -5.478 1.00 0.00 N ATOM 228 CA ILE A 18 -2.697 -1.703 -4.457 1.00 0.00 C ATOM 229 C ILE A 18 -1.724 -2.701 -5.063 1.00 0.00 C ATOM 230 O ILE A 18 -0.611 -2.822 -4.553 1.00 0.00 O ATOM 231 CB ILE A 18 -3.969 -2.344 -3.845 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.572 -1.301 -2.883 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.719 -3.681 -3.110 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.046 -1.512 -2.543 1.00 0.00 C ATOM 0 H ILE A 18 -4.053 -0.675 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.193 -1.226 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.649 -2.603 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.997 -1.307 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.455 -0.311 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.661 -4.060 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.301 -4.407 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.018 -3.520 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.378 -0.729 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.639 -1.473 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.174 -2.485 -2.068 1.00 0.00 H new ATOM 246 N GLN A 19 -2.131 -3.397 -6.124 1.00 0.00 N ATOM 247 CA GLN A 19 -1.341 -4.409 -6.803 1.00 0.00 C ATOM 248 C GLN A 19 -0.014 -3.829 -7.281 1.00 0.00 C ATOM 249 O GLN A 19 1.037 -4.423 -7.070 1.00 0.00 O ATOM 250 CB GLN A 19 -2.158 -4.924 -7.990 1.00 0.00 C ATOM 251 CG GLN A 19 -1.604 -6.234 -8.562 1.00 0.00 C ATOM 252 CD GLN A 19 -2.430 -6.701 -9.759 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.774 -5.909 -10.635 1.00 0.00 O ATOM 254 NE2 GLN A 19 -2.776 -7.969 -9.830 1.00 0.00 N ATOM 0 H GLN A 19 -3.051 -3.263 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.112 -5.225 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.191 -5.077 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.171 -4.166 -8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.566 -6.093 -8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.609 -7.003 -7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.486 -8.618 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.334 -8.302 -10.616 1.00 0.00 H new ATOM 263 N GLN A 20 -0.060 -2.676 -7.939 1.00 0.00 N ATOM 264 CA GLN A 20 1.078 -2.008 -8.525 1.00 0.00 C ATOM 265 C GLN A 20 2.098 -1.599 -7.465 1.00 0.00 C ATOM 266 O GLN A 20 3.294 -1.832 -7.633 1.00 0.00 O ATOM 267 CB GLN A 20 0.561 -0.775 -9.274 1.00 0.00 C ATOM 268 CG GLN A 20 -0.072 -1.116 -10.622 1.00 0.00 C ATOM 269 CD GLN A 20 -0.102 0.051 -11.592 1.00 0.00 C ATOM 270 OE1 GLN A 20 -0.291 1.203 -11.207 1.00 0.00 O ATOM 271 NE2 GLN A 20 0.070 -0.222 -12.874 1.00 0.00 N ATOM 0 H GLN A 20 -0.932 -2.166 -8.080 1.00 0.00 H new ATOM 0 HA GLN A 20 1.588 -2.688 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.174 -0.262 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.386 -0.080 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.480 -1.940 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.091 -1.467 -10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.226 -1.184 -13.174 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.047 0.530 -13.563 1.00 0.00 H new ATOM 280 N GLY A 21 1.646 -1.000 -6.365 1.00 0.00 N ATOM 281 CA GLY A 21 2.533 -0.595 -5.293 1.00 0.00 C ATOM 282 C GLY A 21 3.066 -1.796 -4.527 1.00 0.00 C ATOM 283 O GLY A 21 4.229 -1.776 -4.128 1.00 0.00 O ATOM 0 H GLY A 21 0.663 -0.786 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.366 -0.025 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.001 0.067 -4.610 1.00 0.00 H new ATOM 287 N ARG A 22 2.249 -2.845 -4.351 1.00 0.00 N ATOM 288 CA ARG A 22 2.709 -4.114 -3.819 1.00 0.00 C ATOM 289 C ARG A 22 3.872 -4.615 -4.657 1.00 0.00 C ATOM 290 O ARG A 22 4.968 -4.795 -4.135 1.00 0.00 O ATOM 291 CB ARG A 22 1.580 -5.166 -3.859 1.00 0.00 C ATOM 292 CG ARG A 22 0.701 -5.150 -2.627 1.00 0.00 C ATOM 293 CD ARG A 22 -0.097 -6.433 -2.355 1.00 0.00 C ATOM 294 NE ARG A 22 -0.779 -7.034 -3.522 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.283 -7.983 -4.335 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.962 -8.423 -4.213 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.058 -8.530 -5.256 1.00 0.00 N ATOM 0 H ARG A 22 1.254 -2.827 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 22 3.018 -3.964 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.962 -4.992 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.020 -6.157 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.328 -4.945 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.001 -4.321 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.580 -7.176 -1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.846 -6.216 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.718 -6.695 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.569 -8.040 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.312 -9.144 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.029 -8.232 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.685 -9.250 -5.874 1.00 0.00 H new ATOM 311 N GLN A 23 3.616 -4.857 -5.942 1.00 0.00 N ATOM 312 CA GLN A 23 4.552 -5.479 -6.853 1.00 0.00 C ATOM 313 C GLN A 23 5.811 -4.639 -7.026 1.00 0.00 C ATOM 314 O GLN A 23 6.894 -5.188 -7.195 1.00 0.00 O ATOM 315 CB GLN A 23 3.814 -5.829 -8.153 1.00 0.00 C ATOM 316 CG GLN A 23 3.621 -4.770 -9.232 1.00 0.00 C ATOM 317 CD GLN A 23 4.877 -4.316 -9.959 1.00 0.00 C ATOM 318 OE1 GLN A 23 5.240 -3.051 -9.846 1.00 0.00 O flip ATOM 319 NE2 GLN A 23 5.535 -5.080 -10.658 1.00 0.00 N flip ATOM 0 H GLN A 23 2.727 -4.617 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 23 4.927 -6.416 -6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.344 -6.665 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.824 -6.192 -7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.919 -5.157 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.155 -3.897 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.257 -6.057 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.360 -4.738 -11.150 1.00 0.00 H new ATOM 328 N SER A 24 5.690 -3.314 -6.918 1.00 0.00 N ATOM 329 CA SER A 24 6.852 -2.424 -6.975 1.00 0.00 C ATOM 330 C SER A 24 7.821 -2.653 -5.811 1.00 0.00 C ATOM 331 O SER A 24 8.966 -2.215 -5.896 1.00 0.00 O ATOM 332 CB SER A 24 6.404 -0.960 -6.984 1.00 0.00 C ATOM 333 OG SER A 24 6.052 -0.534 -8.290 1.00 0.00 O ATOM 0 H SER A 24 4.799 -2.834 -6.791 1.00 0.00 H new ATOM 0 HA SER A 24 7.381 -2.656 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.551 -0.835 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.206 -0.330 -6.598 1.00 0.00 H new ATOM 0 HG SER A 24 5.786 -1.310 -8.826 1.00 0.00 H new ATOM 339 N LYS A 25 7.373 -3.325 -4.750 1.00 0.00 N ATOM 340 CA LYS A 25 8.098 -3.597 -3.519 1.00 0.00 C ATOM 341 C LYS A 25 8.134 -5.108 -3.244 1.00 0.00 C ATOM 342 O LYS A 25 8.426 -5.505 -2.119 1.00 0.00 O ATOM 343 CB LYS A 25 7.413 -2.824 -2.382 1.00 0.00 C ATOM 344 CG LYS A 25 7.418 -1.300 -2.576 1.00 0.00 C ATOM 345 CD LYS A 25 6.551 -0.621 -1.508 1.00 0.00 C ATOM 346 CE LYS A 25 7.216 -0.516 -0.129 1.00 0.00 C ATOM 347 NZ LYS A 25 8.353 0.430 -0.120 1.00 0.00 N ATOM 0 H LYS A 25 6.432 -3.717 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 25 9.134 -3.267 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.382 -3.166 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.910 -3.063 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.439 -0.923 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.043 -1.052 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.291 0.381 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.618 -1.176 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.476 -0.197 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.565 -1.502 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.692 0.556 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.123 0.053 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.044 1.348 -0.500 1.00 0.00 H new ATOM 361 N GLY A 26 7.745 -5.945 -4.213 1.00 0.00 N ATOM 362 CA GLY A 26 7.664 -7.394 -4.070 1.00 0.00 C ATOM 363 C GLY A 26 6.698 -7.877 -2.981 1.00 0.00 C ATOM 364 O GLY A 26 6.770 -9.040 -2.590 1.00 0.00 O ATOM 0 H GLY A 26 7.472 -5.620 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.358 -7.823 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.659 -7.780 -3.851 1.00 0.00 H new ATOM 368 N LEU A 27 5.815 -7.029 -2.450 1.00 0.00 N ATOM 369 CA LEU A 27 5.012 -7.352 -1.272 1.00 0.00 C ATOM 370 C LEU A 27 3.863 -8.248 -1.693 1.00 0.00 C ATOM 371 O LEU A 27 3.029 -7.823 -2.493 1.00 0.00 O ATOM 372 CB LEU A 27 4.455 -6.078 -0.612 1.00 0.00 C ATOM 373 CG LEU A 27 5.551 -5.093 -0.183 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.963 -3.726 0.169 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.365 -5.658 0.976 1.00 0.00 C ATOM 0 H LEU A 27 5.637 -6.098 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 27 5.645 -7.861 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.780 -5.580 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.864 -6.357 0.260 1.00 0.00 H new ATOM 0 HG LEU A 27 6.223 -4.952 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.765 -3.051 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.450 -3.316 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.255 -3.835 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.136 -4.942 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.708 -5.843 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.834 -6.593 0.669 1.00 0.00 H new ATOM 387 N THR A 28 3.768 -9.460 -1.149 1.00 0.00 N ATOM 388 CA THR A 28 2.600 -10.298 -1.391 1.00 0.00 C ATOM 389 C THR A 28 1.342 -9.649 -0.790 1.00 0.00 C ATOM 390 O THR A 28 1.418 -8.719 0.016 1.00 0.00 O ATOM 391 CB THR A 28 2.827 -11.712 -0.842 1.00 0.00 C ATOM 392 OG1 THR A 28 3.017 -11.718 0.563 1.00 0.00 O ATOM 393 CG2 THR A 28 3.988 -12.438 -1.519 1.00 0.00 C ATOM 0 H THR A 28 4.477 -9.878 -0.546 1.00 0.00 H new ATOM 0 HA THR A 28 2.446 -10.386 -2.466 1.00 0.00 H new ATOM 0 HB THR A 28 1.911 -12.255 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.955 -11.521 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.097 -13.433 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.789 -12.527 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.908 -11.874 -1.367 1.00 0.00 H new ATOM 401 N GLN A 29 0.156 -10.167 -1.114 1.00 0.00 N ATOM 402 CA GLN A 29 -1.090 -9.695 -0.507 1.00 0.00 C ATOM 403 C GLN A 29 -1.083 -9.958 0.999 1.00 0.00 C ATOM 404 O GLN A 29 -1.615 -9.164 1.773 1.00 0.00 O ATOM 405 CB GLN A 29 -2.282 -10.404 -1.157 1.00 0.00 C ATOM 406 CG GLN A 29 -2.384 -10.055 -2.645 1.00 0.00 C ATOM 407 CD GLN A 29 -3.240 -11.034 -3.411 1.00 0.00 C ATOM 408 OE1 GLN A 29 -2.869 -12.196 -3.571 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.347 -10.576 -3.953 1.00 0.00 N ATOM 0 H GLN A 29 0.032 -10.916 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.177 -8.621 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.176 -11.482 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.202 -10.116 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.799 -9.053 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.384 -10.034 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.626 -9.607 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.926 -11.190 -4.526 1.00 0.00 H new ATOM 418 N LYS A 30 -0.468 -11.067 1.420 1.00 0.00 N ATOM 419 CA LYS A 30 -0.369 -11.438 2.820 1.00 0.00 C ATOM 420 C LYS A 30 0.656 -10.542 3.521 1.00 0.00 C ATOM 421 O LYS A 30 0.448 -10.197 4.685 1.00 0.00 O ATOM 422 CB LYS A 30 -0.040 -12.937 2.933 1.00 0.00 C ATOM 423 CG LYS A 30 -1.239 -13.900 2.750 1.00 0.00 C ATOM 424 CD LYS A 30 -1.977 -13.872 1.395 1.00 0.00 C ATOM 425 CE LYS A 30 -1.148 -14.440 0.239 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.312 -15.901 0.087 1.00 0.00 N ATOM 0 H LYS A 30 -0.024 -11.733 0.788 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.322 -11.282 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.717 -13.182 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.405 -13.121 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.882 -14.916 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.966 -13.684 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.903 -14.441 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.255 -12.844 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.439 -13.947 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.095 -14.211 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.731 -16.235 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.010 -16.377 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.311 -16.121 -0.099 1.00 0.00 H new ATOM 440 N ASP A 31 1.721 -10.099 2.843 1.00 0.00 N ATOM 441 CA ASP A 31 2.644 -9.102 3.386 1.00 0.00 C ATOM 442 C ASP A 31 1.905 -7.786 3.601 1.00 0.00 C ATOM 443 O ASP A 31 2.140 -7.101 4.600 1.00 0.00 O ATOM 444 CB ASP A 31 3.829 -8.855 2.440 1.00 0.00 C ATOM 445 CG ASP A 31 4.887 -9.946 2.514 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.406 -10.225 3.617 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.241 -10.496 1.445 1.00 0.00 O ATOM 0 H ASP A 31 1.965 -10.421 1.906 1.00 0.00 H new ATOM 0 HA ASP A 31 3.029 -9.485 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.461 -8.783 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.287 -7.896 2.683 1.00 0.00 H new ATOM 452 N LEU A 32 1.014 -7.416 2.677 1.00 0.00 N ATOM 453 CA LEU A 32 0.230 -6.188 2.748 1.00 0.00 C ATOM 454 C LEU A 32 -0.713 -6.232 3.940 1.00 0.00 C ATOM 455 O LEU A 32 -0.674 -5.339 4.783 1.00 0.00 O ATOM 456 CB LEU A 32 -0.546 -5.975 1.433 1.00 0.00 C ATOM 457 CG LEU A 32 -0.601 -4.510 0.974 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.326 -3.575 1.950 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.818 -4.002 0.692 1.00 0.00 C ATOM 0 H LEU A 32 0.817 -7.974 1.846 1.00 0.00 H new ATOM 0 HA LEU A 32 0.906 -5.343 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.084 -6.574 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.564 -6.345 1.559 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.195 -4.495 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.321 -2.560 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.355 -3.910 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.817 -3.590 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.774 -2.963 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.417 -4.073 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.273 -4.609 -0.091 1.00 0.00 H new ATOM 471 N ALA A 33 -1.509 -7.301 4.039 1.00 0.00 N ATOM 472 CA ALA A 33 -2.439 -7.544 5.135 1.00 0.00 C ATOM 473 C ALA A 33 -1.723 -7.425 6.476 1.00 0.00 C ATOM 474 O ALA A 33 -2.232 -6.804 7.402 1.00 0.00 O ATOM 475 CB ALA A 33 -3.023 -8.945 4.984 1.00 0.00 C ATOM 0 H ALA A 33 -1.521 -8.040 3.336 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.237 -6.802 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.721 -9.138 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.548 -9.020 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.218 -9.680 5.013 1.00 0.00 H new ATOM 481 N THR A 34 -0.523 -7.994 6.564 1.00 0.00 N ATOM 482 CA THR A 34 0.345 -7.882 7.721 1.00 0.00 C ATOM 483 C THR A 34 0.695 -6.412 7.986 1.00 0.00 C ATOM 484 O THR A 34 0.465 -5.937 9.097 1.00 0.00 O ATOM 485 CB THR A 34 1.570 -8.770 7.480 1.00 0.00 C ATOM 486 OG1 THR A 34 1.137 -10.093 7.221 1.00 0.00 O ATOM 487 CG2 THR A 34 2.529 -8.804 8.669 1.00 0.00 C ATOM 0 H THR A 34 -0.123 -8.557 5.813 1.00 0.00 H new ATOM 0 HA THR A 34 -0.152 -8.231 8.626 1.00 0.00 H new ATOM 0 HB THR A 34 2.108 -8.345 6.632 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.174 -10.267 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.375 -9.450 8.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.888 -7.796 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.009 -9.191 9.545 1.00 0.00 H new ATOM 495 N LYS A 35 1.192 -5.666 6.987 1.00 0.00 N ATOM 496 CA LYS A 35 1.570 -4.254 7.138 1.00 0.00 C ATOM 497 C LYS A 35 0.425 -3.375 7.628 1.00 0.00 C ATOM 498 O LYS A 35 0.698 -2.312 8.188 1.00 0.00 O ATOM 499 CB LYS A 35 2.088 -3.661 5.811 1.00 0.00 C ATOM 500 CG LYS A 35 3.600 -3.403 5.833 1.00 0.00 C ATOM 501 CD LYS A 35 3.987 -2.341 4.796 1.00 0.00 C ATOM 502 CE LYS A 35 5.480 -2.302 4.457 1.00 0.00 C ATOM 503 NZ LYS A 35 6.335 -1.980 5.617 1.00 0.00 N ATOM 0 H LYS A 35 1.343 -6.029 6.046 1.00 0.00 H new ATOM 0 HA LYS A 35 2.359 -4.254 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.851 -4.344 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.566 -2.726 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.903 -3.074 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.135 -4.330 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.424 -2.522 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.685 -1.361 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.779 -3.269 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.648 -1.562 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.332 -1.969 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.075 -1.045 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.201 -2.698 6.357 1.00 0.00 H new ATOM 517 N ILE A 36 -0.827 -3.757 7.392 1.00 0.00 N ATOM 518 CA ILE A 36 -1.979 -2.946 7.759 1.00 0.00 C ATOM 519 C ILE A 36 -2.826 -3.604 8.848 1.00 0.00 C ATOM 520 O ILE A 36 -3.858 -3.049 9.214 1.00 0.00 O ATOM 521 CB ILE A 36 -2.766 -2.517 6.508 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.515 -3.679 5.839 1.00 0.00 C ATOM 523 CG2 ILE A 36 -1.854 -1.793 5.498 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.626 -3.154 4.932 1.00 0.00 C ATOM 0 H ILE A 36 -1.069 -4.639 6.940 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.622 -2.024 8.218 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.527 -1.817 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.817 -4.281 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.939 -4.332 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.437 -1.502 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.429 -0.904 5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.049 -2.461 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.144 -3.993 4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.334 -2.573 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.194 -2.521 4.157 1.00 0.00 H new ATOM 536 N ASN A 37 -2.388 -4.738 9.398 1.00 0.00 N ATOM 537 CA ASN A 37 -3.050 -5.470 10.473 1.00 0.00 C ATOM 538 C ASN A 37 -4.498 -5.771 10.072 1.00 0.00 C ATOM 539 O ASN A 37 -5.446 -5.419 10.772 1.00 0.00 O ATOM 540 CB ASN A 37 -2.903 -4.732 11.823 1.00 0.00 C ATOM 541 CG ASN A 37 -1.445 -4.465 12.196 1.00 0.00 C ATOM 542 OD1 ASN A 37 -0.736 -3.725 11.520 1.00 0.00 O ATOM 543 ND2 ASN A 37 -0.931 -5.072 13.248 1.00 0.00 N ATOM 0 H ASN A 37 -1.526 -5.188 9.092 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.563 -6.433 10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.440 -3.785 11.775 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.372 -5.324 12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.048 -4.925 13.494 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.512 -5.689 13.816 1.00 0.00 H new ATOM 550 N GLU A 38 -4.666 -6.416 8.916 1.00 0.00 N ATOM 551 CA GLU A 38 -5.934 -6.831 8.318 1.00 0.00 C ATOM 552 C GLU A 38 -5.856 -8.318 7.954 1.00 0.00 C ATOM 553 O GLU A 38 -4.843 -8.993 8.191 1.00 0.00 O ATOM 554 CB GLU A 38 -6.234 -5.988 7.063 1.00 0.00 C ATOM 555 CG GLU A 38 -6.635 -4.538 7.368 1.00 0.00 C ATOM 556 CD GLU A 38 -7.947 -4.365 8.125 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.878 -5.186 7.935 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.085 -3.354 8.842 1.00 0.00 O ATOM 0 H GLU A 38 -3.869 -6.679 8.337 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.741 -6.676 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.353 -5.983 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.036 -6.465 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.837 -4.073 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.704 -3.993 6.427 1.00 0.00 H new ATOM 565 N LYS A 39 -6.935 -8.837 7.369 1.00 0.00 N ATOM 566 CA LYS A 39 -6.957 -10.143 6.714 1.00 0.00 C ATOM 567 C LYS A 39 -6.375 -10.019 5.307 1.00 0.00 C ATOM 568 O LYS A 39 -6.581 -9.005 4.644 1.00 0.00 O ATOM 569 CB LYS A 39 -8.409 -10.637 6.596 1.00 0.00 C ATOM 570 CG LYS A 39 -9.067 -10.874 7.955 1.00 0.00 C ATOM 571 CD LYS A 39 -8.580 -12.156 8.627 1.00 0.00 C ATOM 572 CE LYS A 39 -9.417 -12.344 9.891 1.00 0.00 C ATOM 573 NZ LYS A 39 -8.720 -13.160 10.895 1.00 0.00 N ATOM 0 H LYS A 39 -7.833 -8.353 7.337 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.368 -10.845 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.993 -9.905 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.427 -11.564 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.861 -10.025 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.148 -10.923 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.694 -13.009 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.521 -12.084 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.655 -11.369 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.364 -12.818 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.322 -13.263 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.516 -14.099 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.829 -12.696 11.162 1.00 0.00 H new ATOM 587 N PRO A 40 -5.744 -11.076 4.780 1.00 0.00 N ATOM 588 CA PRO A 40 -5.400 -11.162 3.369 1.00 0.00 C ATOM 589 C PRO A 40 -6.632 -11.397 2.488 1.00 0.00 C ATOM 590 O PRO A 40 -6.532 -11.253 1.267 1.00 0.00 O ATOM 591 CB PRO A 40 -4.388 -12.298 3.292 1.00 0.00 C ATOM 592 CG PRO A 40 -4.744 -13.219 4.460 1.00 0.00 C ATOM 593 CD PRO A 40 -5.378 -12.287 5.489 1.00 0.00 C ATOM 0 HA PRO A 40 -4.983 -10.230 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.455 -12.823 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.367 -11.925 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.436 -14.003 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.860 -13.714 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.254 -12.750 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.679 -12.067 6.296 1.00 0.00 H new ATOM 601 N GLN A 41 -7.779 -11.724 3.094 1.00 0.00 N ATOM 602 CA GLN A 41 -9.077 -11.768 2.448 1.00 0.00 C ATOM 603 C GLN A 41 -9.410 -10.390 1.882 1.00 0.00 C ATOM 604 O GLN A 41 -9.610 -10.270 0.676 1.00 0.00 O ATOM 605 CB GLN A 41 -10.136 -12.212 3.469 1.00 0.00 C ATOM 606 CG GLN A 41 -11.451 -12.659 2.816 1.00 0.00 C ATOM 607 CD GLN A 41 -11.256 -13.970 2.064 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.909 -14.993 2.658 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.395 -13.967 0.749 1.00 0.00 N ATOM 0 H GLN A 41 -7.820 -11.972 4.082 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.063 -12.484 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.736 -13.032 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.339 -11.389 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.219 -12.782 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.803 -11.889 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.683 -13.114 0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.215 -14.817 0.215 1.00 0.00 H new ATOM 618 N VAL A 42 -9.439 -9.353 2.729 1.00 0.00 N ATOM 619 CA VAL A 42 -9.891 -8.046 2.278 1.00 0.00 C ATOM 620 C VAL A 42 -8.954 -7.491 1.206 1.00 0.00 C ATOM 621 O VAL A 42 -9.444 -6.863 0.284 1.00 0.00 O ATOM 622 CB VAL A 42 -10.158 -7.063 3.439 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.205 -7.635 4.409 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.914 -6.672 4.246 1.00 0.00 C ATOM 0 H VAL A 42 -9.160 -9.398 3.709 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.867 -8.177 1.810 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.522 -6.158 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.377 -6.926 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.139 -7.809 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.842 -8.576 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.197 -5.980 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.470 -7.565 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.189 -6.193 3.588 1.00 0.00 H new ATOM 634 N ILE A 43 -7.642 -7.767 1.249 1.00 0.00 N ATOM 635 CA ILE A 43 -6.709 -7.327 0.205 1.00 0.00 C ATOM 636 C ILE A 43 -7.114 -7.926 -1.149 1.00 0.00 C ATOM 637 O ILE A 43 -7.156 -7.223 -2.159 1.00 0.00 O ATOM 638 CB ILE A 43 -5.248 -7.687 0.570 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.831 -7.192 1.969 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.267 -7.156 -0.493 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.943 -5.681 2.201 1.00 0.00 C ATOM 0 H ILE A 43 -7.202 -8.297 2.002 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.761 -6.241 0.129 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.204 -8.776 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.445 -7.701 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.799 -7.493 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.248 -7.422 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.505 -7.598 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.354 -6.071 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.625 -5.444 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.306 -5.155 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.978 -5.367 2.063 1.00 0.00 H new ATOM 653 N ALA A 44 -7.408 -9.228 -1.168 1.00 0.00 N ATOM 654 CA ALA A 44 -7.831 -9.932 -2.371 1.00 0.00 C ATOM 655 C ALA A 44 -9.149 -9.383 -2.936 1.00 0.00 C ATOM 656 O ALA A 44 -9.371 -9.461 -4.146 1.00 0.00 O ATOM 657 CB ALA A 44 -7.952 -11.422 -2.049 1.00 0.00 C ATOM 0 H ALA A 44 -7.358 -9.823 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.081 -9.777 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.268 -11.963 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.986 -11.802 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.688 -11.565 -1.258 1.00 0.00 H new ATOM 663 N ASP A 45 -10.018 -8.840 -2.086 1.00 0.00 N ATOM 664 CA ASP A 45 -11.293 -8.254 -2.490 1.00 0.00 C ATOM 665 C ASP A 45 -11.105 -6.794 -2.915 1.00 0.00 C ATOM 666 O ASP A 45 -11.715 -6.361 -3.894 1.00 0.00 O ATOM 667 CB ASP A 45 -12.307 -8.350 -1.340 1.00 0.00 C ATOM 668 CG ASP A 45 -12.980 -9.713 -1.171 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.656 -10.675 -1.909 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.884 -9.795 -0.310 1.00 0.00 O ATOM 0 H ASP A 45 -9.853 -8.794 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.676 -8.812 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.800 -8.096 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.081 -7.599 -1.497 1.00 0.00 H new ATOM 675 N TYR A 46 -10.243 -6.037 -2.225 1.00 0.00 N ATOM 676 CA TYR A 46 -9.831 -4.676 -2.555 1.00 0.00 C ATOM 677 C TYR A 46 -9.281 -4.613 -3.978 1.00 0.00 C ATOM 678 O TYR A 46 -9.564 -3.662 -4.701 1.00 0.00 O ATOM 679 CB TYR A 46 -8.737 -4.213 -1.573 1.00 0.00 C ATOM 680 CG TYR A 46 -9.139 -3.168 -0.551 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.084 -1.813 -0.909 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.478 -3.521 0.768 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.321 -0.809 0.042 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.733 -2.524 1.726 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.642 -1.159 1.369 1.00 0.00 C ATOM 686 OH TYR A 46 -9.848 -0.172 2.282 1.00 0.00 O ATOM 0 H TYR A 46 -9.793 -6.380 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.701 -4.024 -2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.367 -5.088 -1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.903 -3.818 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.857 -1.539 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.543 -4.563 1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.258 0.231 -0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.999 -2.801 2.735 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.483 -0.482 2.961 1.00 0.00 H new ATOM 696 N GLU A 47 -8.497 -5.619 -4.368 1.00 0.00 N ATOM 697 CA GLU A 47 -7.892 -5.709 -5.687 1.00 0.00 C ATOM 698 C GLU A 47 -8.939 -5.706 -6.801 1.00 0.00 C ATOM 699 O GLU A 47 -8.759 -5.046 -7.822 1.00 0.00 O ATOM 700 CB GLU A 47 -7.044 -6.977 -5.765 1.00 0.00 C ATOM 701 CG GLU A 47 -5.555 -6.654 -5.649 1.00 0.00 C ATOM 702 CD GLU A 47 -4.706 -7.908 -5.842 1.00 0.00 C ATOM 703 OE1 GLU A 47 -5.020 -8.732 -6.739 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.730 -8.088 -5.077 1.00 0.00 O ATOM 0 H GLU A 47 -8.264 -6.405 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.265 -4.829 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.334 -7.661 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.235 -7.488 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.282 -5.908 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.349 -6.218 -4.671 1.00 0.00 H new ATOM 711 N SER A 48 -10.029 -6.449 -6.622 1.00 0.00 N ATOM 712 CA SER A 48 -11.125 -6.434 -7.584 1.00 0.00 C ATOM 713 C SER A 48 -11.938 -5.147 -7.439 1.00 0.00 C ATOM 714 O SER A 48 -12.415 -4.599 -8.435 1.00 0.00 O ATOM 715 CB SER A 48 -12.018 -7.649 -7.350 1.00 0.00 C ATOM 716 OG SER A 48 -11.230 -8.824 -7.241 1.00 0.00 O ATOM 0 H SER A 48 -10.175 -7.066 -5.823 1.00 0.00 H new ATOM 0 HA SER A 48 -10.718 -6.473 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.603 -7.509 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.726 -7.752 -8.172 1.00 0.00 H new ATOM 0 HG SER A 48 -11.814 -9.596 -7.089 1.00 0.00 H new ATOM 722 N GLY A 49 -12.082 -4.654 -6.207 1.00 0.00 N ATOM 723 CA GLY A 49 -13.010 -3.598 -5.868 1.00 0.00 C ATOM 724 C GLY A 49 -14.326 -4.194 -5.382 1.00 0.00 C ATOM 725 O GLY A 49 -15.383 -3.820 -5.890 1.00 0.00 O ATOM 0 H GLY A 49 -11.542 -4.991 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.582 -2.962 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.187 -2.966 -6.738 1.00 0.00 H new ATOM 729 N ARG A 50 -14.259 -5.189 -4.487 1.00 0.00 N ATOM 730 CA ARG A 50 -15.409 -5.915 -3.941 1.00 0.00 C ATOM 731 C ARG A 50 -15.419 -5.971 -2.420 1.00 0.00 C ATOM 732 O ARG A 50 -16.310 -6.613 -1.849 1.00 0.00 O ATOM 733 CB ARG A 50 -15.455 -7.346 -4.491 1.00 0.00 C ATOM 734 CG ARG A 50 -15.794 -7.388 -5.992 1.00 0.00 C ATOM 735 CD ARG A 50 -16.873 -8.413 -6.367 1.00 0.00 C ATOM 736 NE ARG A 50 -16.484 -9.805 -6.092 1.00 0.00 N ATOM 737 CZ ARG A 50 -15.715 -10.602 -6.844 1.00 0.00 C ATOM 738 NH1 ARG A 50 -15.118 -10.164 -7.949 1.00 0.00 N ATOM 739 NH2 ARG A 50 -15.558 -11.864 -6.461 1.00 0.00 N ATOM 0 H ARG A 50 -13.370 -5.521 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.290 -5.356 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.491 -7.827 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.197 -7.921 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.125 -6.398 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.886 -7.613 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.786 -8.184 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.105 -8.312 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.842 -10.210 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.240 -9.196 -8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.538 -10.797 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.017 -12.201 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.978 -12.496 -7.013 1.00 0.00 H new ATOM 753 N ALA A 51 -14.428 -5.391 -1.750 1.00 0.00 N ATOM 754 CA ALA A 51 -14.572 -5.061 -0.343 1.00 0.00 C ATOM 755 C ALA A 51 -15.157 -3.641 -0.267 1.00 0.00 C ATOM 756 O ALA A 51 -15.329 -2.999 -1.307 1.00 0.00 O ATOM 757 CB ALA A 51 -13.211 -5.189 0.357 1.00 0.00 C ATOM 0 H ALA A 51 -13.526 -5.143 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.246 -5.744 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.320 -4.941 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.847 -6.212 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.499 -4.505 -0.104 1.00 0.00 H new ATOM 763 N ILE A 52 -15.466 -3.134 0.928 1.00 0.00 N ATOM 764 CA ILE A 52 -15.860 -1.739 1.098 1.00 0.00 C ATOM 765 C ILE A 52 -14.605 -0.926 1.453 1.00 0.00 C ATOM 766 O ILE A 52 -14.057 -1.117 2.548 1.00 0.00 O ATOM 767 CB ILE A 52 -16.980 -1.613 2.142 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.202 -2.490 1.787 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.383 -0.136 2.288 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.869 -2.219 0.430 1.00 0.00 C ATOM 0 H ILE A 52 -15.450 -3.673 1.794 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.276 -1.338 0.174 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.601 -1.977 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.891 -3.534 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.952 -2.362 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.178 -0.047 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.520 0.447 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.738 0.241 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.712 -2.897 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.223 -1.189 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.146 -2.379 -0.369 1.00 0.00 H new ATOM 782 N PRO A 53 -14.138 -0.024 0.574 1.00 0.00 N ATOM 783 CA PRO A 53 -12.930 0.742 0.793 1.00 0.00 C ATOM 784 C PRO A 53 -13.252 1.862 1.778 1.00 0.00 C ATOM 785 O PRO A 53 -14.060 2.753 1.484 1.00 0.00 O ATOM 786 CB PRO A 53 -12.521 1.252 -0.591 1.00 0.00 C ATOM 787 CG PRO A 53 -13.845 1.401 -1.338 1.00 0.00 C ATOM 788 CD PRO A 53 -14.772 0.387 -0.667 1.00 0.00 C ATOM 0 HA PRO A 53 -12.107 0.174 1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.991 2.202 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.856 0.550 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.237 2.415 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.728 1.191 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.748 0.830 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.936 -0.472 -1.317 1.00 0.00 H new ATOM 796 N ASN A 54 -12.640 1.834 2.963 1.00 0.00 N ATOM 797 CA ASN A 54 -12.883 2.855 3.977 1.00 0.00 C ATOM 798 C ASN A 54 -11.620 3.665 4.199 1.00 0.00 C ATOM 799 O ASN A 54 -10.528 3.100 4.170 1.00 0.00 O ATOM 800 CB ASN A 54 -13.417 2.224 5.276 1.00 0.00 C ATOM 801 CG ASN A 54 -14.272 3.210 6.067 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.771 4.186 5.511 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.518 2.981 7.340 1.00 0.00 N ATOM 0 H ASN A 54 -11.973 1.114 3.242 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.657 3.538 3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.008 1.340 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.581 1.892 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.123 3.613 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.104 2.171 7.802 1.00 0.00 H new ATOM 810 N ASN A 55 -11.753 4.977 4.420 1.00 0.00 N ATOM 811 CA ASN A 55 -10.624 5.913 4.482 1.00 0.00 C ATOM 812 C ASN A 55 -9.602 5.550 5.556 1.00 0.00 C ATOM 813 O ASN A 55 -8.429 5.875 5.405 1.00 0.00 O ATOM 814 CB ASN A 55 -11.097 7.358 4.678 1.00 0.00 C ATOM 815 CG ASN A 55 -11.782 7.585 6.019 1.00 0.00 C ATOM 816 OD1 ASN A 55 -12.872 7.075 6.251 1.00 0.00 O ATOM 817 ND2 ASN A 55 -11.178 8.329 6.925 1.00 0.00 N ATOM 0 H ASN A 55 -12.658 5.425 4.563 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.125 5.831 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.242 8.028 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.786 7.621 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.618 8.486 7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.271 8.748 6.719 1.00 0.00 H new ATOM 824 N GLN A 56 -10.024 4.852 6.610 1.00 0.00 N ATOM 825 CA GLN A 56 -9.144 4.316 7.634 1.00 0.00 C ATOM 826 C GLN A 56 -8.181 3.284 7.030 1.00 0.00 C ATOM 827 O GLN A 56 -6.965 3.430 7.124 1.00 0.00 O ATOM 828 CB GLN A 56 -10.034 3.735 8.743 1.00 0.00 C ATOM 829 CG GLN A 56 -9.257 3.352 10.005 1.00 0.00 C ATOM 830 CD GLN A 56 -10.224 3.192 11.173 1.00 0.00 C ATOM 831 OE1 GLN A 56 -10.495 4.158 11.891 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.785 2.012 11.357 1.00 0.00 N ATOM 0 H GLN A 56 -11.009 4.642 6.774 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.509 5.092 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.800 4.465 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.550 2.854 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.713 2.422 9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.517 4.118 10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.542 1.231 10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.462 1.881 12.109 1.00 0.00 H new ATOM 841 N VAL A 57 -8.714 2.233 6.404 1.00 0.00 N ATOM 842 CA VAL A 57 -7.924 1.151 5.827 1.00 0.00 C ATOM 843 C VAL A 57 -7.147 1.673 4.615 1.00 0.00 C ATOM 844 O VAL A 57 -5.951 1.409 4.530 1.00 0.00 O ATOM 845 CB VAL A 57 -8.843 -0.039 5.488 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.042 -1.211 4.902 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.590 -0.534 6.738 1.00 0.00 C ATOM 0 H VAL A 57 -9.719 2.111 6.284 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.189 0.789 6.545 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.561 0.316 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.718 -2.035 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.540 -0.889 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.299 -1.542 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.231 -1.374 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.869 -0.854 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.200 0.274 7.141 1.00 0.00 H new ATOM 857 N LEU A 58 -7.771 2.468 3.734 1.00 0.00 N ATOM 858 CA LEU A 58 -7.084 3.169 2.646 1.00 0.00 C ATOM 859 C LEU A 58 -5.857 3.913 3.183 1.00 0.00 C ATOM 860 O LEU A 58 -4.782 3.779 2.611 1.00 0.00 O ATOM 861 CB LEU A 58 -8.026 4.153 1.931 1.00 0.00 C ATOM 862 CG LEU A 58 -9.142 3.488 1.100 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.230 4.515 0.787 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.624 2.927 -0.226 1.00 0.00 C ATOM 0 H LEU A 58 -8.776 2.642 3.759 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.760 2.422 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.485 4.802 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.433 4.790 1.275 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.534 2.664 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.018 4.043 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.650 4.895 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.799 5.340 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.448 2.469 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.197 3.734 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.858 2.177 -0.029 1.00 0.00 H new ATOM 876 N GLY A 59 -5.993 4.652 4.291 1.00 0.00 N ATOM 877 CA GLY A 59 -4.893 5.353 4.944 1.00 0.00 C ATOM 878 C GLY A 59 -3.758 4.415 5.359 1.00 0.00 C ATOM 879 O GLY A 59 -2.588 4.737 5.149 1.00 0.00 O ATOM 0 H GLY A 59 -6.888 4.778 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.501 6.114 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.270 5.872 5.825 1.00 0.00 H new ATOM 883 N LYS A 60 -4.075 3.246 5.928 1.00 0.00 N ATOM 884 CA LYS A 60 -3.064 2.237 6.240 1.00 0.00 C ATOM 885 C LYS A 60 -2.367 1.755 4.967 1.00 0.00 C ATOM 886 O LYS A 60 -1.142 1.634 4.946 1.00 0.00 O ATOM 887 CB LYS A 60 -3.680 1.052 6.998 1.00 0.00 C ATOM 888 CG LYS A 60 -4.249 1.431 8.371 1.00 0.00 C ATOM 889 CD LYS A 60 -4.546 0.193 9.228 1.00 0.00 C ATOM 890 CE LYS A 60 -5.873 -0.510 8.905 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.123 -1.628 9.840 1.00 0.00 N ATOM 0 H LYS A 60 -5.026 2.978 6.181 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.319 2.701 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.475 0.617 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.921 0.281 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.540 2.073 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.164 2.009 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.733 -0.522 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.553 0.488 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.692 0.207 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.850 -0.885 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.981 -2.139 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.312 -2.279 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.252 -1.254 10.802 1.00 0.00 H new ATOM 905 N ILE A 61 -3.129 1.462 3.914 1.00 0.00 N ATOM 906 CA ILE A 61 -2.606 0.996 2.635 1.00 0.00 C ATOM 907 C ILE A 61 -1.689 2.051 2.021 1.00 0.00 C ATOM 908 O ILE A 61 -0.702 1.680 1.390 1.00 0.00 O ATOM 909 CB ILE A 61 -3.774 0.597 1.712 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.445 -0.657 2.297 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.329 0.310 0.265 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.699 -1.044 1.526 1.00 0.00 C ATOM 0 H ILE A 61 -4.146 1.544 3.929 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.995 0.105 2.782 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.465 1.438 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.739 -1.487 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.702 -0.477 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.197 0.035 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.865 1.202 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.610 -0.510 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.141 -1.935 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.417 -0.225 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.439 -1.250 0.488 1.00 0.00 H new ATOM 924 N GLU A 62 -1.953 3.345 2.214 1.00 0.00 N ATOM 925 CA GLU A 62 -1.032 4.355 1.694 1.00 0.00 C ATOM 926 C GLU A 62 0.374 4.128 2.245 1.00 0.00 C ATOM 927 O GLU A 62 1.334 4.033 1.481 1.00 0.00 O ATOM 928 CB GLU A 62 -1.405 5.803 2.051 1.00 0.00 C ATOM 929 CG GLU A 62 -2.756 6.323 1.591 1.00 0.00 C ATOM 930 CD GLU A 62 -2.830 7.831 1.815 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.698 8.303 2.968 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.062 8.564 0.831 1.00 0.00 O ATOM 0 H GLU A 62 -2.767 3.709 2.709 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.087 4.238 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.360 5.902 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.637 6.457 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.904 6.095 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.555 5.824 2.140 1.00 0.00 H new ATOM 939 N ARG A 63 0.497 3.997 3.574 1.00 0.00 N ATOM 940 CA ARG A 63 1.771 3.717 4.239 1.00 0.00 C ATOM 941 C ARG A 63 2.408 2.470 3.635 1.00 0.00 C ATOM 942 O ARG A 63 3.611 2.464 3.373 1.00 0.00 O ATOM 943 CB ARG A 63 1.579 3.519 5.753 1.00 0.00 C ATOM 944 CG ARG A 63 0.996 4.740 6.477 1.00 0.00 C ATOM 945 CD ARG A 63 0.851 4.425 7.971 1.00 0.00 C ATOM 946 NE ARG A 63 0.422 5.596 8.758 1.00 0.00 N ATOM 947 CZ ARG A 63 1.074 6.159 9.785 1.00 0.00 C ATOM 948 NH1 ARG A 63 2.290 5.769 10.148 1.00 0.00 N ATOM 949 NH2 ARG A 63 0.488 7.142 10.452 1.00 0.00 N ATOM 0 H ARG A 63 -0.290 4.083 4.217 1.00 0.00 H new ATOM 0 HA ARG A 63 2.426 4.575 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.921 2.665 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.541 3.270 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.646 5.604 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.026 4.999 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.128 3.620 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.804 4.062 8.356 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.465 6.023 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.758 5.018 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.757 6.220 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.443 7.458 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.968 7.583 11.237 1.00 0.00 H new ATOM 963 N ALA A 64 1.584 1.450 3.383 1.00 0.00 N ATOM 964 CA ALA A 64 1.984 0.127 2.943 1.00 0.00 C ATOM 965 C ALA A 64 2.859 0.151 1.686 1.00 0.00 C ATOM 966 O ALA A 64 3.833 -0.598 1.610 1.00 0.00 O ATOM 967 CB ALA A 64 0.732 -0.736 2.739 1.00 0.00 C ATOM 0 H ALA A 64 0.573 1.537 3.488 1.00 0.00 H new ATOM 0 HA ALA A 64 2.608 -0.311 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.027 -1.732 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.186 -0.813 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.093 -0.277 1.985 1.00 0.00 H new ATOM 973 N ILE A 65 2.512 0.990 0.706 1.00 0.00 N ATOM 974 CA ILE A 65 3.191 1.045 -0.595 1.00 0.00 C ATOM 975 C ILE A 65 3.911 2.384 -0.817 1.00 0.00 C ATOM 976 O ILE A 65 4.786 2.481 -1.679 1.00 0.00 O ATOM 977 CB ILE A 65 2.197 0.728 -1.728 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.017 1.723 -1.803 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.704 -0.715 -1.537 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.097 1.516 -3.010 1.00 0.00 C ATOM 0 H ILE A 65 1.745 1.657 0.793 1.00 0.00 H new ATOM 0 HA ILE A 65 3.968 0.281 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 65 2.713 0.833 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.426 1.638 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.413 2.738 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.997 -0.966 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.553 -1.398 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.212 -0.806 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.704 2.254 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.671 1.632 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.331 0.514 -2.973 1.00 0.00 H new ATOM 992 N GLY A 66 3.568 3.407 -0.036 1.00 0.00 N ATOM 993 CA GLY A 66 4.130 4.743 -0.116 1.00 0.00 C ATOM 994 C GLY A 66 3.495 5.593 -1.210 1.00 0.00 C ATOM 995 O GLY A 66 4.145 6.525 -1.684 1.00 0.00 O ATOM 0 H GLY A 66 2.863 3.319 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.003 5.243 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.202 4.670 -0.297 1.00 0.00 H new ATOM 999 N LEU A 67 2.250 5.301 -1.604 1.00 0.00 N ATOM 1000 CA LEU A 67 1.500 6.028 -2.628 1.00 0.00 C ATOM 1001 C LEU A 67 0.105 6.374 -2.090 1.00 0.00 C ATOM 1002 O LEU A 67 -0.340 5.786 -1.109 1.00 0.00 O ATOM 1003 CB LEU A 67 1.387 5.219 -3.939 1.00 0.00 C ATOM 1004 CG LEU A 67 2.692 4.692 -4.583 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.334 3.845 -5.812 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.680 5.786 -5.019 1.00 0.00 C ATOM 0 H LEU A 67 1.722 4.526 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 67 2.041 6.945 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.740 4.363 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.881 5.844 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 67 3.195 4.112 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.247 3.469 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.710 3.006 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.791 4.458 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.564 5.324 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.204 6.433 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.973 6.378 -4.152 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.585 7.320 -2.731 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.941 7.777 -2.435 1.00 0.00 C ATOM 1020 C LYS A 68 -2.961 6.775 -2.954 1.00 0.00 C ATOM 1021 O LYS A 68 -2.764 6.201 -4.028 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.191 9.125 -3.132 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.512 10.284 -2.397 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.796 11.611 -3.114 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.598 12.839 -2.222 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.545 12.909 -1.085 1.00 0.00 N ATOM 0 H LYS A 68 -0.182 7.820 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.044 7.880 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.821 9.078 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.264 9.310 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.874 10.333 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.437 10.112 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.143 11.693 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.821 11.603 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.579 12.835 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.705 13.738 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.505 13.856 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.510 12.723 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.285 12.197 -0.373 1.00 0.00 H new ATOM 1040 N LEU A 69 -4.082 6.632 -2.240 1.00 0.00 N ATOM 1041 CA LEU A 69 -5.146 5.661 -2.511 1.00 0.00 C ATOM 1042 C LEU A 69 -6.509 6.341 -2.750 1.00 0.00 C ATOM 1043 O LEU A 69 -7.504 5.636 -2.912 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.201 4.615 -1.374 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.231 3.421 -1.497 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.627 2.442 -2.598 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.769 3.772 -1.743 1.00 0.00 C ATOM 0 H LEU A 69 -4.281 7.213 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.911 5.143 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.000 5.124 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.217 4.226 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.319 2.974 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.907 1.625 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.619 2.042 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.639 2.959 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.182 2.856 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.681 4.331 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.397 4.380 -0.918 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.593 7.680 -2.796 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.780 8.450 -3.183 1.00 0.00 C ATOM 1061 C ARG A 70 -7.369 9.640 -4.046 1.00 0.00 C ATOM 1062 O ARG A 70 -6.216 10.083 -3.992 1.00 0.00 O ATOM 1063 CB ARG A 70 -8.515 8.981 -1.941 1.00 0.00 C ATOM 1064 CG ARG A 70 -9.243 7.904 -1.132 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.482 8.363 0.306 1.00 0.00 C ATOM 1066 NE ARG A 70 -8.218 8.319 1.054 1.00 0.00 N ATOM 1067 CZ ARG A 70 -7.915 8.944 2.191 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -8.815 9.696 2.818 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -6.690 8.778 2.672 1.00 0.00 N ATOM 0 H ARG A 70 -5.802 8.277 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.442 7.788 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.795 9.481 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.238 9.734 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.197 7.671 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.655 6.986 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.885 9.376 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.222 7.722 0.785 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.481 7.738 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.752 9.800 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.568 10.168 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.022 8.190 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.416 9.238 3.540 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.347 10.216 -4.739 1.00 0.00 N ATOM 1084 CA GLY A 71 -8.181 11.247 -5.746 1.00 0.00 C ATOM 1085 C GLY A 71 -7.885 10.600 -7.094 1.00 0.00 C ATOM 1086 O GLY A 71 -7.533 9.425 -7.165 1.00 0.00 O ATOM 0 H GLY A 71 -9.325 9.960 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.084 11.854 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.368 11.916 -5.466 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.950 11.375 -8.180 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.337 10.955 -9.444 1.00 0.00 C ATOM 1092 C LYS A 72 -5.807 11.021 -9.337 1.00 0.00 C ATOM 1093 O LYS A 72 -5.102 10.489 -10.189 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.872 11.777 -10.627 1.00 0.00 C ATOM 1095 CG LYS A 72 -9.390 11.591 -10.819 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.868 12.168 -12.161 1.00 0.00 C ATOM 1097 CE LYS A 72 -11.384 12.051 -12.398 1.00 0.00 C ATOM 1098 NZ LYS A 72 -12.209 12.713 -11.365 1.00 0.00 N ATOM 0 H LYS A 72 -8.413 12.283 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.613 9.919 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.654 12.832 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.352 11.482 -11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.636 10.530 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.923 12.079 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.584 13.219 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.345 11.657 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.623 12.482 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.654 10.996 -12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.215 12.620 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.036 12.265 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.957 13.721 -11.313 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.283 11.610 -8.261 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.876 11.606 -7.865 1.00 0.00 C ATOM 1114 C ASP A 73 -3.478 10.241 -7.277 1.00 0.00 C ATOM 1115 O ASP A 73 -2.391 10.114 -6.726 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.568 12.733 -6.847 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.812 14.165 -7.342 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -4.716 14.385 -8.181 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.085 15.079 -6.890 1.00 0.00 O ATOM 0 H ASP A 73 -5.864 12.133 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.286 11.790 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.175 12.568 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.525 12.647 -6.543 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.329 9.210 -7.336 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.989 7.872 -6.878 1.00 0.00 C ATOM 1126 C ILE A 74 -2.681 7.404 -7.528 1.00 0.00 C ATOM 1127 O ILE A 74 -2.437 7.669 -8.710 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.175 6.926 -7.157 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.232 5.861 -6.063 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.270 6.464 -8.622 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.402 4.888 -6.194 1.00 0.00 C ATOM 0 H ILE A 74 -5.276 9.288 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.814 7.870 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.118 7.467 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.301 5.295 -6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.293 6.355 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.128 5.802 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.390 7.332 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.360 5.930 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.368 4.166 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.341 5.440 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.334 4.363 -7.147 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.836 6.703 -6.775 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.544 6.256 -7.278 1.00 0.00 C ATOM 1145 C GLY A 75 0.521 7.363 -7.325 1.00 0.00 C ATOM 1146 O GLY A 75 1.686 7.062 -7.597 1.00 0.00 O ATOM 0 H GLY A 75 -2.027 6.433 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.182 5.443 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.676 5.849 -8.281 1.00 0.00 H new ATOM 1150 N LYS A 76 0.189 8.622 -7.011 1.00 0.00 N ATOM 1151 CA LYS A 76 1.176 9.615 -6.620 1.00 0.00 C ATOM 1152 C LYS A 76 1.772 9.184 -5.285 1.00 0.00 C ATOM 1153 O LYS A 76 1.058 8.606 -4.472 1.00 0.00 O ATOM 1154 CB LYS A 76 0.548 11.004 -6.473 1.00 0.00 C ATOM 1155 CG LYS A 76 0.083 11.583 -7.818 1.00 0.00 C ATOM 1156 CD LYS A 76 1.268 12.281 -8.464 1.00 0.00 C ATOM 1157 CE LYS A 76 1.052 12.575 -9.943 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.349 12.837 -10.592 1.00 0.00 N ATOM 0 H LYS A 76 -0.769 8.972 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 76 1.943 9.680 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.302 10.945 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.272 11.681 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.291 10.790 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.737 12.285 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.463 13.216 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.156 11.659 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.558 11.730 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.395 13.437 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.198 13.037 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.804 13.656 -10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.962 12.003 -10.493 1.00 0.00 H new ATOM 1172 N PRO A 77 3.049 9.462 -5.028 1.00 0.00 N ATOM 1173 CA PRO A 77 3.709 9.106 -3.791 1.00 0.00 C ATOM 1174 C PRO A 77 3.193 9.951 -2.625 1.00 0.00 C ATOM 1175 O PRO A 77 2.637 11.035 -2.821 1.00 0.00 O ATOM 1176 CB PRO A 77 5.202 9.274 -4.073 1.00 0.00 C ATOM 1177 CG PRO A 77 5.283 10.234 -5.261 1.00 0.00 C ATOM 1178 CD PRO A 77 3.908 10.184 -5.924 1.00 0.00 C ATOM 0 HA PRO A 77 3.503 8.082 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.723 9.678 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.668 8.317 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.523 11.245 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.065 9.931 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.526 11.189 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.962 9.688 -6.893 1.00 0.00 H new ATOM 1186 N ILE A 78 3.438 9.485 -1.401 1.00 0.00 N ATOM 1187 CA ILE A 78 3.155 10.247 -0.192 1.00 0.00 C ATOM 1188 C ILE A 78 4.491 10.823 0.273 1.00 0.00 C ATOM 1189 O ILE A 78 5.398 10.090 0.664 1.00 0.00 O ATOM 1190 CB ILE A 78 2.363 9.430 0.864 1.00 0.00 C ATOM 1191 CG1 ILE A 78 3.099 8.179 1.390 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.996 9.053 0.263 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.290 7.307 2.358 1.00 0.00 C ATOM 0 H ILE A 78 3.840 8.565 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 78 2.469 11.072 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 78 2.244 10.066 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.398 7.568 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.013 8.498 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.424 8.478 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.449 9.960 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.146 8.454 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.893 6.454 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.013 7.895 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.388 6.951 1.860 1.00 0.00 H new