USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=7 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0091) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.8) USER MOD Single : A 24 SER OG : rot 67:sc= 0.152 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 29 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0334) USER MOD Single : A 37 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 46 TYR OH : rot -80:sc= -0.153 USER MOD Single : A 48 SER OG : rot 68:sc= 1.24 USER MOD Single : A 54 ASN : amide:sc= -0.269 K(o=-0.27,f=-3) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.362 1.221 -10.322 1.00 0.00 N ATOM 152 CA GLU A 13 -8.397 2.277 -10.058 1.00 0.00 C ATOM 153 C GLU A 13 -7.580 1.981 -8.786 1.00 0.00 C ATOM 154 O GLU A 13 -6.351 1.901 -8.864 1.00 0.00 O ATOM 155 CB GLU A 13 -9.113 3.636 -10.029 1.00 0.00 C ATOM 156 CG GLU A 13 -8.111 4.750 -9.734 1.00 0.00 C ATOM 157 CD GLU A 13 -8.712 6.153 -9.801 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.498 6.526 -8.903 1.00 0.00 O ATOM 159 OE2 GLU A 13 -8.351 6.921 -10.722 1.00 0.00 O ATOM 0 HA GLU A 13 -7.667 2.318 -10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.601 3.819 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.894 3.628 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.689 4.593 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.288 4.683 -10.445 1.00 0.00 H new ATOM 166 N VAL A 14 -8.255 1.815 -7.640 1.00 0.00 N ATOM 167 CA VAL A 14 -7.664 1.494 -6.336 1.00 0.00 C ATOM 168 C VAL A 14 -6.871 0.196 -6.434 1.00 0.00 C ATOM 169 O VAL A 14 -5.676 0.205 -6.154 1.00 0.00 O ATOM 170 CB VAL A 14 -8.776 1.495 -5.259 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.438 0.797 -3.936 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.089 2.933 -4.852 1.00 0.00 C ATOM 0 H VAL A 14 -9.270 1.905 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.944 2.252 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.591 0.955 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.292 0.862 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.205 -0.251 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.576 1.283 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.872 2.934 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.191 3.400 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.428 3.492 -5.724 1.00 0.00 H new ATOM 182 N GLY A 15 -7.508 -0.901 -6.847 1.00 0.00 N ATOM 183 CA GLY A 15 -6.885 -2.196 -7.046 1.00 0.00 C ATOM 184 C GLY A 15 -5.613 -2.102 -7.877 1.00 0.00 C ATOM 185 O GLY A 15 -4.594 -2.640 -7.466 1.00 0.00 O ATOM 0 H GLY A 15 -8.506 -0.905 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.652 -2.638 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.591 -2.864 -7.539 1.00 0.00 H new ATOM 189 N LYS A 16 -5.625 -1.380 -8.999 1.00 0.00 N ATOM 190 CA LYS A 16 -4.439 -1.212 -9.827 1.00 0.00 C ATOM 191 C LYS A 16 -3.333 -0.501 -9.057 1.00 0.00 C ATOM 192 O LYS A 16 -2.207 -0.985 -9.072 1.00 0.00 O ATOM 193 CB LYS A 16 -4.815 -0.507 -11.135 1.00 0.00 C ATOM 194 CG LYS A 16 -3.624 -0.395 -12.097 1.00 0.00 C ATOM 195 CD LYS A 16 -4.050 -0.381 -13.573 1.00 0.00 C ATOM 196 CE LYS A 16 -4.940 0.817 -13.918 1.00 0.00 C ATOM 197 NZ LYS A 16 -5.003 1.068 -15.374 1.00 0.00 N ATOM 0 H LYS A 16 -6.452 -0.900 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.037 -2.190 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.622 -1.054 -11.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.195 0.490 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.068 0.516 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.946 -1.231 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.161 -0.362 -14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.584 -1.303 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.946 0.641 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.560 1.706 -13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.616 1.887 -15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.047 1.263 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.390 0.231 -15.854 1.00 0.00 H new ATOM 211 N VAL A 17 -3.613 0.624 -8.392 1.00 0.00 N ATOM 212 CA VAL A 17 -2.588 1.332 -7.608 1.00 0.00 C ATOM 213 C VAL A 17 -2.042 0.445 -6.497 1.00 0.00 C ATOM 214 O VAL A 17 -0.830 0.454 -6.269 1.00 0.00 O ATOM 215 CB VAL A 17 -3.110 2.663 -7.029 1.00 0.00 C ATOM 216 CG1 VAL A 17 -2.117 3.292 -6.041 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.367 3.627 -8.195 1.00 0.00 C ATOM 0 H VAL A 17 -4.533 1.064 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.776 1.573 -8.295 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.029 2.466 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.527 4.227 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.945 2.606 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.174 3.490 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.737 4.576 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.438 3.795 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.109 3.195 -8.867 1.00 0.00 H new ATOM 227 N ILE A 18 -2.915 -0.297 -5.810 1.00 0.00 N ATOM 228 CA ILE A 18 -2.513 -1.281 -4.824 1.00 0.00 C ATOM 229 C ILE A 18 -1.537 -2.206 -5.523 1.00 0.00 C ATOM 230 O ILE A 18 -0.362 -2.181 -5.178 1.00 0.00 O ATOM 231 CB ILE A 18 -3.724 -2.026 -4.221 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.512 -1.089 -3.283 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.253 -3.262 -3.425 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.001 -1.390 -3.156 1.00 0.00 C ATOM 0 H ILE A 18 -3.925 -0.225 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.036 -0.808 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.369 -2.348 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.064 -1.136 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.395 -0.065 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.118 -3.776 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.715 -3.939 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.593 -2.945 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.460 -0.674 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.473 -1.312 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.136 -2.399 -2.767 1.00 0.00 H new ATOM 246 N GLN A 19 -2.017 -2.996 -6.483 1.00 0.00 N ATOM 247 CA GLN A 19 -1.306 -4.104 -7.080 1.00 0.00 C ATOM 248 C GLN A 19 0.019 -3.622 -7.696 1.00 0.00 C ATOM 249 O GLN A 19 0.994 -4.374 -7.736 1.00 0.00 O ATOM 250 CB GLN A 19 -2.222 -4.771 -8.119 1.00 0.00 C ATOM 251 CG GLN A 19 -1.778 -6.201 -8.432 1.00 0.00 C ATOM 252 CD GLN A 19 -2.710 -6.866 -9.442 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.486 -6.777 -10.649 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.735 -7.564 -8.994 1.00 0.00 N ATOM 0 H GLN A 19 -2.950 -2.869 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.047 -4.843 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.246 -4.782 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.222 -4.181 -9.036 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.761 -6.190 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.758 -6.787 -7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.908 -7.629 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.355 -8.039 -9.650 1.00 0.00 H new ATOM 263 N GLN A 20 0.074 -2.372 -8.169 1.00 0.00 N ATOM 264 CA GLN A 20 1.272 -1.688 -8.616 1.00 0.00 C ATOM 265 C GLN A 20 2.248 -1.485 -7.459 1.00 0.00 C ATOM 266 O GLN A 20 3.300 -2.114 -7.461 1.00 0.00 O ATOM 267 CB GLN A 20 0.883 -0.335 -9.238 1.00 0.00 C ATOM 268 CG GLN A 20 0.608 -0.407 -10.748 1.00 0.00 C ATOM 269 CD GLN A 20 1.524 0.570 -11.472 1.00 0.00 C ATOM 270 OE1 GLN A 20 1.243 1.767 -11.530 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.667 0.117 -11.962 1.00 0.00 N ATOM 0 H GLN A 20 -0.760 -1.790 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 20 1.771 -2.301 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.005 0.045 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.684 0.382 -9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.777 -1.420 -11.112 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.435 -0.165 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.887 -0.877 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.328 0.762 -12.394 1.00 0.00 H new ATOM 280 N GLY A 21 1.940 -0.623 -6.483 1.00 0.00 N ATOM 281 CA GLY A 21 2.910 -0.250 -5.452 1.00 0.00 C ATOM 282 C GLY A 21 3.259 -1.432 -4.548 1.00 0.00 C ATOM 283 O GLY A 21 4.375 -1.550 -4.040 1.00 0.00 O ATOM 0 H GLY A 21 1.030 -0.173 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.817 0.126 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.505 0.562 -4.848 1.00 0.00 H new ATOM 287 N ARG A 22 2.305 -2.347 -4.386 1.00 0.00 N ATOM 288 CA ARG A 22 2.467 -3.652 -3.790 1.00 0.00 C ATOM 289 C ARG A 22 3.606 -4.383 -4.507 1.00 0.00 C ATOM 290 O ARG A 22 4.598 -4.701 -3.849 1.00 0.00 O ATOM 291 CB ARG A 22 1.088 -4.347 -3.830 1.00 0.00 C ATOM 292 CG ARG A 22 1.183 -5.831 -3.577 1.00 0.00 C ATOM 293 CD ARG A 22 0.003 -6.539 -2.916 1.00 0.00 C ATOM 294 NE ARG A 22 -0.843 -7.201 -3.919 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.660 -8.374 -4.525 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.432 -9.101 -4.291 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.606 -8.805 -5.354 1.00 0.00 N ATOM 0 H ARG A 22 1.346 -2.178 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 22 2.769 -3.625 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.435 -3.895 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.626 -4.176 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.367 -6.318 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.062 -6.005 -2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.370 -7.276 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.590 -5.818 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.686 -6.693 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.141 -8.762 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.559 -9.997 -4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.442 -8.242 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.496 -9.699 -5.833 1.00 0.00 H new ATOM 311 N GLN A 23 3.516 -4.630 -5.818 1.00 0.00 N ATOM 312 CA GLN A 23 4.549 -5.327 -6.561 1.00 0.00 C ATOM 313 C GLN A 23 5.851 -4.537 -6.673 1.00 0.00 C ATOM 314 O GLN A 23 6.913 -5.156 -6.685 1.00 0.00 O ATOM 315 CB GLN A 23 3.999 -5.650 -7.949 1.00 0.00 C ATOM 316 CG GLN A 23 3.011 -6.820 -7.925 1.00 0.00 C ATOM 317 CD GLN A 23 3.710 -8.147 -7.634 1.00 0.00 C ATOM 318 OE1 GLN A 23 3.972 -8.486 -6.483 1.00 0.00 O ATOM 319 NE2 GLN A 23 4.057 -8.918 -8.650 1.00 0.00 N ATOM 0 H GLN A 23 2.718 -4.348 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 23 4.803 -6.237 -6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.504 -4.768 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.825 -5.889 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.249 -6.637 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.498 -6.882 -8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.838 -8.633 -9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.544 -9.798 -8.479 1.00 0.00 H new ATOM 328 N SER A 24 5.806 -3.204 -6.662 1.00 0.00 N ATOM 329 CA SER A 24 7.009 -2.374 -6.596 1.00 0.00 C ATOM 330 C SER A 24 7.813 -2.628 -5.313 1.00 0.00 C ATOM 331 O SER A 24 9.008 -2.324 -5.247 1.00 0.00 O ATOM 332 CB SER A 24 6.649 -0.888 -6.676 1.00 0.00 C ATOM 333 OG SER A 24 5.990 -0.541 -7.882 1.00 0.00 O ATOM 0 H SER A 24 4.937 -2.671 -6.698 1.00 0.00 H new ATOM 0 HA SER A 24 7.627 -2.649 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.010 -0.629 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.558 -0.294 -6.582 1.00 0.00 H new ATOM 0 HG SER A 24 5.108 -0.968 -7.907 1.00 0.00 H new ATOM 339 N LYS A 25 7.172 -3.188 -4.283 1.00 0.00 N ATOM 340 CA LYS A 25 7.777 -3.601 -3.020 1.00 0.00 C ATOM 341 C LYS A 25 7.816 -5.130 -2.901 1.00 0.00 C ATOM 342 O LYS A 25 8.221 -5.650 -1.864 1.00 0.00 O ATOM 343 CB LYS A 25 7.040 -2.880 -1.880 1.00 0.00 C ATOM 344 CG LYS A 25 7.450 -1.396 -1.865 1.00 0.00 C ATOM 345 CD LYS A 25 6.531 -0.495 -1.041 1.00 0.00 C ATOM 346 CE LYS A 25 6.511 -0.803 0.460 1.00 0.00 C ATOM 347 NZ LYS A 25 7.840 -0.694 1.094 1.00 0.00 N ATOM 0 H LYS A 25 6.169 -3.373 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 25 8.825 -3.306 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.962 -2.970 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.281 -3.345 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.464 -1.316 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.475 -1.028 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.839 0.541 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.516 -0.581 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.822 -0.119 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.124 -1.811 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.747 -0.830 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.472 -1.422 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.239 0.248 0.905 1.00 0.00 H new ATOM 361 N GLY A 26 7.430 -5.847 -3.962 1.00 0.00 N ATOM 362 CA GLY A 26 7.384 -7.299 -4.054 1.00 0.00 C ATOM 363 C GLY A 26 6.335 -7.938 -3.147 1.00 0.00 C ATOM 364 O GLY A 26 6.349 -9.158 -2.981 1.00 0.00 O ATOM 0 H GLY A 26 7.125 -5.398 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.180 -7.583 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.365 -7.702 -3.800 1.00 0.00 H new ATOM 368 N LEU A 27 5.453 -7.144 -2.532 1.00 0.00 N ATOM 369 CA LEU A 27 4.659 -7.601 -1.399 1.00 0.00 C ATOM 370 C LEU A 27 3.568 -8.539 -1.897 1.00 0.00 C ATOM 371 O LEU A 27 2.806 -8.224 -2.814 1.00 0.00 O ATOM 372 CB LEU A 27 4.058 -6.423 -0.603 1.00 0.00 C ATOM 373 CG LEU A 27 5.098 -5.406 -0.097 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.428 -4.115 0.393 1.00 0.00 C ATOM 375 CD2 LEU A 27 5.967 -5.981 1.022 1.00 0.00 C ATOM 0 H LEU A 27 5.274 -6.178 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 27 5.313 -8.138 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.336 -5.904 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.509 -6.819 0.251 1.00 0.00 H new ATOM 0 HG LEU A 27 5.738 -5.176 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.191 -3.419 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.871 -3.661 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.746 -4.347 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.686 -5.229 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.335 -6.267 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.501 -6.858 0.654 1.00 0.00 H new ATOM 387 N THR A 28 3.450 -9.690 -1.255 1.00 0.00 N ATOM 388 CA THR A 28 2.288 -10.539 -1.424 1.00 0.00 C ATOM 389 C THR A 28 1.058 -9.818 -0.855 1.00 0.00 C ATOM 390 O THR A 28 1.178 -8.909 -0.025 1.00 0.00 O ATOM 391 CB THR A 28 2.540 -11.899 -0.751 1.00 0.00 C ATOM 392 OG1 THR A 28 2.975 -11.724 0.587 1.00 0.00 O ATOM 393 CG2 THR A 28 3.605 -12.706 -1.500 1.00 0.00 C ATOM 0 H THR A 28 4.150 -10.057 -0.610 1.00 0.00 H new ATOM 0 HA THR A 28 2.100 -10.735 -2.480 1.00 0.00 H new ATOM 0 HB THR A 28 1.595 -12.441 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.128 -12.600 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.758 -13.661 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.274 -12.883 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.542 -12.149 -1.513 1.00 0.00 H new ATOM 401 N GLN A 29 -0.142 -10.263 -1.232 1.00 0.00 N ATOM 402 CA GLN A 29 -1.389 -9.826 -0.599 1.00 0.00 C ATOM 403 C GLN A 29 -1.320 -10.071 0.908 1.00 0.00 C ATOM 404 O GLN A 29 -1.779 -9.252 1.700 1.00 0.00 O ATOM 405 CB GLN A 29 -2.582 -10.586 -1.202 1.00 0.00 C ATOM 406 CG GLN A 29 -2.790 -10.172 -2.659 1.00 0.00 C ATOM 407 CD GLN A 29 -3.902 -10.920 -3.390 1.00 0.00 C ATOM 408 OE1 GLN A 29 -4.056 -12.132 -3.246 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.647 -10.236 -4.237 1.00 0.00 N ATOM 0 H GLN A 29 -0.277 -10.937 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.524 -8.760 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.406 -11.660 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.483 -10.379 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.009 -9.105 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.856 -10.321 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.506 -9.231 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.364 -10.712 -4.785 1.00 0.00 H new ATOM 418 N LYS A 30 -0.698 -11.181 1.314 1.00 0.00 N ATOM 419 CA LYS A 30 -0.523 -11.523 2.712 1.00 0.00 C ATOM 420 C LYS A 30 0.355 -10.502 3.426 1.00 0.00 C ATOM 421 O LYS A 30 0.040 -10.114 4.553 1.00 0.00 O ATOM 422 CB LYS A 30 0.005 -12.952 2.831 1.00 0.00 C ATOM 423 CG LYS A 30 -1.052 -13.830 3.513 1.00 0.00 C ATOM 424 CD LYS A 30 -0.527 -15.257 3.578 1.00 0.00 C ATOM 425 CE LYS A 30 -1.162 -15.988 4.763 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.361 -17.152 5.174 1.00 0.00 N ATOM 0 H LYS A 30 -0.302 -11.867 0.671 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.489 -11.488 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.240 -13.348 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.930 -12.963 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.263 -13.458 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.989 -13.796 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.756 -15.781 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.558 -15.251 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.264 -15.301 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.167 -16.314 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.821 -17.623 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.285 -17.819 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.590 -16.838 5.454 1.00 0.00 H new ATOM 440 N ASP A 31 1.454 -10.074 2.808 1.00 0.00 N ATOM 441 CA ASP A 31 2.340 -9.100 3.437 1.00 0.00 C ATOM 442 C ASP A 31 1.676 -7.737 3.502 1.00 0.00 C ATOM 443 O ASP A 31 1.837 -7.047 4.504 1.00 0.00 O ATOM 444 CB ASP A 31 3.691 -9.016 2.719 1.00 0.00 C ATOM 445 CG ASP A 31 4.709 -9.998 3.304 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.336 -10.938 4.042 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.911 -9.856 2.994 1.00 0.00 O ATOM 0 H ASP A 31 1.749 -10.383 1.882 1.00 0.00 H new ATOM 0 HA ASP A 31 2.534 -9.439 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.552 -9.225 1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.080 -8.001 2.795 1.00 0.00 H new ATOM 452 N LEU A 32 0.880 -7.361 2.496 1.00 0.00 N ATOM 453 CA LEU A 32 0.086 -6.134 2.530 1.00 0.00 C ATOM 454 C LEU A 32 -0.882 -6.170 3.720 1.00 0.00 C ATOM 455 O LEU A 32 -0.982 -5.209 4.482 1.00 0.00 O ATOM 456 CB LEU A 32 -0.690 -5.972 1.211 1.00 0.00 C ATOM 457 CG LEU A 32 -0.952 -4.520 0.770 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.488 -3.578 1.861 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.314 -3.908 0.163 1.00 0.00 C ATOM 0 H LEU A 32 0.770 -7.900 1.637 1.00 0.00 H new ATOM 0 HA LEU A 32 0.753 -5.280 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.138 -6.479 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.648 -6.482 1.308 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.750 -4.605 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.636 -2.583 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.438 -3.959 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.770 -3.523 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.111 -2.882 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.113 -3.914 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.620 -4.492 -0.705 1.00 0.00 H new ATOM 471 N ALA A 33 -1.563 -7.306 3.895 1.00 0.00 N ATOM 472 CA ALA A 33 -2.545 -7.531 4.947 1.00 0.00 C ATOM 473 C ALA A 33 -1.892 -7.283 6.292 1.00 0.00 C ATOM 474 O ALA A 33 -2.376 -6.485 7.084 1.00 0.00 O ATOM 475 CB ALA A 33 -3.097 -8.959 4.868 1.00 0.00 C ATOM 0 H ALA A 33 -1.439 -8.116 3.287 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.381 -6.843 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.829 -9.110 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.574 -9.112 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.281 -9.672 4.987 1.00 0.00 H new ATOM 481 N THR A 34 -0.781 -7.956 6.560 1.00 0.00 N ATOM 482 CA THR A 34 -0.073 -7.805 7.814 1.00 0.00 C ATOM 483 C THR A 34 0.556 -6.417 7.942 1.00 0.00 C ATOM 484 O THR A 34 0.556 -5.884 9.050 1.00 0.00 O ATOM 485 CB THR A 34 0.903 -8.970 7.944 1.00 0.00 C ATOM 486 OG1 THR A 34 0.113 -10.141 8.032 1.00 0.00 O ATOM 487 CG2 THR A 34 1.742 -8.883 9.218 1.00 0.00 C ATOM 0 H THR A 34 -0.351 -8.618 5.914 1.00 0.00 H new ATOM 0 HA THR A 34 -0.757 -7.853 8.662 1.00 0.00 H new ATOM 0 HB THR A 34 1.584 -8.963 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.697 -10.924 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.421 -9.734 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.319 -7.958 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.085 -8.894 10.088 1.00 0.00 H new ATOM 495 N LYS A 35 0.977 -5.770 6.847 1.00 0.00 N ATOM 496 CA LYS A 35 1.446 -4.392 6.883 1.00 0.00 C ATOM 497 C LYS A 35 0.415 -3.496 7.556 1.00 0.00 C ATOM 498 O LYS A 35 0.758 -2.799 8.513 1.00 0.00 O ATOM 499 CB LYS A 35 1.839 -3.877 5.483 1.00 0.00 C ATOM 500 CG LYS A 35 3.362 -3.747 5.388 1.00 0.00 C ATOM 501 CD LYS A 35 3.865 -3.442 3.969 1.00 0.00 C ATOM 502 CE LYS A 35 5.141 -2.586 3.975 1.00 0.00 C ATOM 503 NZ LYS A 35 6.222 -3.157 4.811 1.00 0.00 N ATOM 0 H LYS A 35 0.999 -6.191 5.918 1.00 0.00 H new ATOM 0 HA LYS A 35 2.356 -4.363 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.475 -4.562 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.370 -2.911 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.693 -2.955 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.820 -4.673 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.060 -4.378 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.084 -2.923 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.501 -2.475 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.899 -1.587 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.091 -2.601 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.939 -3.129 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.396 -4.143 4.528 1.00 0.00 H new ATOM 517 N ILE A 36 -0.842 -3.573 7.122 1.00 0.00 N ATOM 518 CA ILE A 36 -1.932 -2.780 7.685 1.00 0.00 C ATOM 519 C ILE A 36 -2.602 -3.473 8.884 1.00 0.00 C ATOM 520 O ILE A 36 -3.556 -2.940 9.446 1.00 0.00 O ATOM 521 CB ILE A 36 -2.931 -2.404 6.575 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.782 -3.583 6.080 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.202 -1.719 5.404 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.907 -3.099 5.165 1.00 0.00 C ATOM 0 H ILE A 36 -1.134 -4.191 6.365 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.515 -1.857 8.088 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.634 -1.702 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.151 -4.292 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.205 -4.115 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.923 -1.460 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.711 -0.813 5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.455 -2.398 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.495 -3.953 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.550 -2.409 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.480 -2.589 4.301 1.00 0.00 H new ATOM 536 N ASN A 37 -2.088 -4.643 9.275 1.00 0.00 N ATOM 537 CA ASN A 37 -2.619 -5.602 10.233 1.00 0.00 C ATOM 538 C ASN A 37 -4.120 -5.845 10.021 1.00 0.00 C ATOM 539 O ASN A 37 -4.960 -5.363 10.781 1.00 0.00 O ATOM 540 CB ASN A 37 -2.219 -5.184 11.653 1.00 0.00 C ATOM 541 CG ASN A 37 -2.542 -6.216 12.728 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.275 -7.181 12.525 1.00 0.00 O ATOM 543 ND2 ASN A 37 -2.016 -6.028 13.924 1.00 0.00 N ATOM 0 H ASN A 37 -1.203 -4.969 8.887 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.172 -6.583 10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.148 -4.982 11.671 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.724 -4.250 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.218 -6.684 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.407 -5.227 14.093 1.00 0.00 H new ATOM 550 N GLU A 38 -4.432 -6.590 8.959 1.00 0.00 N ATOM 551 CA GLU A 38 -5.751 -7.026 8.507 1.00 0.00 C ATOM 552 C GLU A 38 -5.683 -8.481 8.023 1.00 0.00 C ATOM 553 O GLU A 38 -4.597 -9.075 7.950 1.00 0.00 O ATOM 554 CB GLU A 38 -6.227 -6.122 7.351 1.00 0.00 C ATOM 555 CG GLU A 38 -6.885 -4.821 7.834 1.00 0.00 C ATOM 556 CD GLU A 38 -8.281 -5.032 8.426 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.625 -6.153 8.866 1.00 0.00 O ATOM 558 OE2 GLU A 38 -9.082 -4.069 8.429 1.00 0.00 O ATOM 0 H GLU A 38 -3.699 -6.934 8.338 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.453 -6.956 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.376 -5.877 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.937 -6.674 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.246 -4.356 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.954 -4.125 6.998 1.00 0.00 H new ATOM 565 N LYS A 39 -6.835 -9.084 7.695 1.00 0.00 N ATOM 566 CA LYS A 39 -6.891 -10.412 7.085 1.00 0.00 C ATOM 567 C LYS A 39 -6.638 -10.304 5.576 1.00 0.00 C ATOM 568 O LYS A 39 -7.109 -9.359 4.948 1.00 0.00 O ATOM 569 CB LYS A 39 -8.257 -11.062 7.299 1.00 0.00 C ATOM 570 CG LYS A 39 -8.860 -11.007 8.702 1.00 0.00 C ATOM 571 CD LYS A 39 -8.035 -11.572 9.869 1.00 0.00 C ATOM 572 CE LYS A 39 -7.050 -10.526 10.399 1.00 0.00 C ATOM 573 NZ LYS A 39 -6.581 -10.810 11.766 1.00 0.00 N ATOM 0 H LYS A 39 -7.751 -8.662 7.847 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.124 -11.026 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.962 -10.593 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.179 -12.110 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.085 -9.965 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.810 -11.540 8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.702 -11.889 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.490 -12.457 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.191 -10.474 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.527 -9.546 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.918 -10.067 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.394 -10.832 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.099 -11.732 11.783 1.00 0.00 H new ATOM 587 N PRO A 40 -5.956 -11.274 4.960 1.00 0.00 N ATOM 588 CA PRO A 40 -5.547 -11.174 3.567 1.00 0.00 C ATOM 589 C PRO A 40 -6.664 -11.456 2.556 1.00 0.00 C ATOM 590 O PRO A 40 -6.527 -11.056 1.399 1.00 0.00 O ATOM 591 CB PRO A 40 -4.375 -12.142 3.446 1.00 0.00 C ATOM 592 CG PRO A 40 -4.682 -13.211 4.490 1.00 0.00 C ATOM 593 CD PRO A 40 -5.386 -12.441 5.602 1.00 0.00 C ATOM 0 HA PRO A 40 -5.269 -10.151 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.308 -12.567 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.424 -11.648 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.318 -13.997 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.772 -13.692 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.160 -13.048 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.685 -12.155 6.386 1.00 0.00 H new ATOM 601 N GLN A 41 -7.785 -12.075 2.943 1.00 0.00 N ATOM 602 CA GLN A 41 -8.900 -12.216 2.014 1.00 0.00 C ATOM 603 C GLN A 41 -9.531 -10.850 1.709 1.00 0.00 C ATOM 604 O GLN A 41 -9.949 -10.641 0.569 1.00 0.00 O ATOM 605 CB GLN A 41 -9.920 -13.238 2.540 1.00 0.00 C ATOM 606 CG GLN A 41 -11.036 -13.583 1.543 1.00 0.00 C ATOM 607 CD GLN A 41 -10.513 -14.158 0.223 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.069 -15.305 0.153 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.511 -13.370 -0.840 1.00 0.00 N ATOM 0 H GLN A 41 -7.939 -12.475 3.869 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.524 -12.605 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.394 -14.154 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.371 -12.848 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.714 -14.303 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.618 -12.685 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.881 -12.422 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.140 -13.711 -1.727 1.00 0.00 H new ATOM 618 N VAL A 42 -9.576 -9.909 2.667 1.00 0.00 N ATOM 619 CA VAL A 42 -10.129 -8.583 2.377 1.00 0.00 C ATOM 620 C VAL A 42 -9.166 -7.793 1.489 1.00 0.00 C ATOM 621 O VAL A 42 -9.610 -6.975 0.694 1.00 0.00 O ATOM 622 CB VAL A 42 -10.589 -7.798 3.630 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.260 -8.726 4.654 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.506 -6.955 4.315 1.00 0.00 C ATOM 0 H VAL A 42 -9.245 -10.039 3.623 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.054 -8.738 1.821 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.312 -7.081 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.572 -8.145 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.132 -9.198 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.553 -9.495 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.933 -6.447 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.692 -7.603 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.122 -6.215 3.613 1.00 0.00 H new ATOM 634 N ILE A 43 -7.859 -8.068 1.563 1.00 0.00 N ATOM 635 CA ILE A 43 -6.871 -7.499 0.656 1.00 0.00 C ATOM 636 C ILE A 43 -7.149 -7.981 -0.763 1.00 0.00 C ATOM 637 O ILE A 43 -7.209 -7.160 -1.681 1.00 0.00 O ATOM 638 CB ILE A 43 -5.448 -7.861 1.120 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.095 -7.213 2.469 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.388 -7.514 0.074 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.118 -5.681 2.514 1.00 0.00 C ATOM 0 H ILE A 43 -7.460 -8.696 2.260 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.944 -6.412 0.664 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.446 -8.943 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.790 -7.588 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.100 -7.549 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.402 -7.789 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.591 -8.062 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.413 -6.443 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.853 -5.342 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.401 -5.285 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.117 -5.325 2.263 1.00 0.00 H new ATOM 653 N ALA A 44 -7.310 -9.292 -0.960 1.00 0.00 N ATOM 654 CA ALA A 44 -7.625 -9.829 -2.279 1.00 0.00 C ATOM 655 C ALA A 44 -8.927 -9.214 -2.812 1.00 0.00 C ATOM 656 O ALA A 44 -9.064 -8.949 -4.010 1.00 0.00 O ATOM 657 CB ALA A 44 -7.707 -11.356 -2.217 1.00 0.00 C ATOM 0 H ALA A 44 -7.227 -9.995 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.828 -9.563 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.943 -11.748 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.750 -11.759 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.487 -11.650 -1.515 1.00 0.00 H new ATOM 663 N ASP A 45 -9.884 -8.958 -1.922 1.00 0.00 N ATOM 664 CA ASP A 45 -11.145 -8.316 -2.262 1.00 0.00 C ATOM 665 C ASP A 45 -10.982 -6.829 -2.550 1.00 0.00 C ATOM 666 O ASP A 45 -11.718 -6.321 -3.393 1.00 0.00 O ATOM 667 CB ASP A 45 -12.174 -8.530 -1.152 1.00 0.00 C ATOM 668 CG ASP A 45 -12.928 -9.846 -1.273 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.893 -10.502 -2.338 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.560 -10.236 -0.266 1.00 0.00 O ATOM 0 H ASP A 45 -9.801 -9.195 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.502 -8.786 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.669 -8.497 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.889 -7.707 -1.166 1.00 0.00 H new ATOM 675 N TYR A 46 -10.032 -6.129 -1.928 1.00 0.00 N ATOM 676 CA TYR A 46 -9.658 -4.764 -2.274 1.00 0.00 C ATOM 677 C TYR A 46 -9.242 -4.694 -3.738 1.00 0.00 C ATOM 678 O TYR A 46 -9.764 -3.852 -4.464 1.00 0.00 O ATOM 679 CB TYR A 46 -8.524 -4.260 -1.366 1.00 0.00 C ATOM 680 CG TYR A 46 -8.934 -3.147 -0.437 1.00 0.00 C ATOM 681 CD1 TYR A 46 -8.881 -1.810 -0.869 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.360 -3.449 0.868 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.211 -0.773 0.017 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.715 -2.419 1.750 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.617 -1.070 1.336 1.00 0.00 C ATOM 686 OH TYR A 46 -9.903 -0.053 2.194 1.00 0.00 O ATOM 0 H TYR A 46 -9.490 -6.508 -1.151 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.523 -4.118 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.148 -5.094 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.699 -3.914 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.586 -1.581 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.414 -4.478 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.154 0.254 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.063 -2.655 2.745 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.069 0.313 2.557 1.00 0.00 H new ATOM 696 N GLU A 47 -8.333 -5.576 -4.171 1.00 0.00 N ATOM 697 CA GLU A 47 -7.900 -5.618 -5.566 1.00 0.00 C ATOM 698 C GLU A 47 -9.042 -6.081 -6.482 1.00 0.00 C ATOM 699 O GLU A 47 -9.081 -5.677 -7.643 1.00 0.00 O ATOM 700 CB GLU A 47 -6.647 -6.498 -5.741 1.00 0.00 C ATOM 701 CG GLU A 47 -5.368 -5.693 -5.448 1.00 0.00 C ATOM 702 CD GLU A 47 -4.064 -6.487 -5.549 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.958 -7.532 -6.229 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.097 -6.068 -4.879 1.00 0.00 O ATOM 0 H GLU A 47 -7.885 -6.269 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.627 -4.604 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.703 -7.356 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.611 -6.889 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.319 -4.854 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.443 -5.274 -4.445 1.00 0.00 H new ATOM 711 N SER A 48 -9.971 -6.912 -6.000 1.00 0.00 N ATOM 712 CA SER A 48 -11.130 -7.326 -6.793 1.00 0.00 C ATOM 713 C SER A 48 -12.128 -6.176 -6.983 1.00 0.00 C ATOM 714 O SER A 48 -12.756 -6.083 -8.033 1.00 0.00 O ATOM 715 CB SER A 48 -11.850 -8.487 -6.109 1.00 0.00 C ATOM 716 OG SER A 48 -10.980 -9.575 -5.818 1.00 0.00 O ATOM 0 H SER A 48 -9.942 -7.312 -5.062 1.00 0.00 H new ATOM 0 HA SER A 48 -10.757 -7.633 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.305 -8.133 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.660 -8.836 -6.750 1.00 0.00 H new ATOM 0 HG SER A 48 -10.339 -9.306 -5.127 1.00 0.00 H new ATOM 722 N GLY A 49 -12.313 -5.336 -5.962 1.00 0.00 N ATOM 723 CA GLY A 49 -13.269 -4.231 -5.950 1.00 0.00 C ATOM 724 C GLY A 49 -14.396 -4.416 -4.943 1.00 0.00 C ATOM 725 O GLY A 49 -15.375 -3.678 -4.967 1.00 0.00 O ATOM 0 H GLY A 49 -11.783 -5.410 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.740 -3.305 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.697 -4.120 -6.946 1.00 0.00 H new ATOM 729 N ARG A 50 -14.290 -5.422 -4.079 1.00 0.00 N ATOM 730 CA ARG A 50 -15.393 -5.957 -3.297 1.00 0.00 C ATOM 731 C ARG A 50 -15.350 -5.438 -1.873 1.00 0.00 C ATOM 732 O ARG A 50 -16.395 -5.085 -1.318 1.00 0.00 O ATOM 733 CB ARG A 50 -15.299 -7.489 -3.322 1.00 0.00 C ATOM 734 CG ARG A 50 -15.310 -8.066 -4.744 1.00 0.00 C ATOM 735 CD ARG A 50 -16.639 -7.779 -5.449 1.00 0.00 C ATOM 736 NE ARG A 50 -17.132 -8.944 -6.183 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.975 -9.870 -5.721 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.409 -9.857 -4.461 1.00 0.00 N ATOM 739 NH2 ARG A 50 -18.362 -10.814 -6.563 1.00 0.00 N ATOM 0 H ARG A 50 -13.406 -5.899 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.341 -5.635 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.385 -7.800 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.133 -7.908 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.490 -7.637 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.142 -9.142 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.382 -7.474 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.511 -6.944 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.800 -9.060 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.097 -9.126 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.053 -10.578 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.017 -10.814 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.006 -11.542 -6.252 1.00 0.00 H new ATOM 753 N ALA A 51 -14.152 -5.401 -1.283 1.00 0.00 N ATOM 754 CA ALA A 51 -13.950 -4.821 0.029 1.00 0.00 C ATOM 755 C ALA A 51 -14.278 -3.338 -0.084 1.00 0.00 C ATOM 756 O ALA A 51 -13.764 -2.682 -0.995 1.00 0.00 O ATOM 757 CB ALA A 51 -12.510 -5.036 0.504 1.00 0.00 C ATOM 0 H ALA A 51 -13.303 -5.774 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.595 -5.298 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.382 -4.592 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.300 -6.104 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.821 -4.565 -0.197 1.00 0.00 H new ATOM 763 N ILE A 52 -15.113 -2.821 0.818 1.00 0.00 N ATOM 764 CA ILE A 52 -15.533 -1.427 0.768 1.00 0.00 C ATOM 765 C ILE A 52 -14.294 -0.594 1.092 1.00 0.00 C ATOM 766 O ILE A 52 -13.675 -0.832 2.137 1.00 0.00 O ATOM 767 CB ILE A 52 -16.662 -1.151 1.778 1.00 0.00 C ATOM 768 CG1 ILE A 52 -17.939 -1.938 1.422 1.00 0.00 C ATOM 769 CG2 ILE A 52 -16.956 0.358 1.891 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.651 -1.500 0.141 1.00 0.00 C ATOM 0 H ILE A 52 -15.511 -3.352 1.593 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.932 -1.174 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.319 -1.498 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.680 -2.993 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.640 -1.853 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -17.758 0.520 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.059 0.880 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.260 0.743 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.535 -2.119 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.950 -0.456 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.976 -1.613 -0.707 1.00 0.00 H new ATOM 782 N PRO A 53 -13.899 0.360 0.231 1.00 0.00 N ATOM 783 CA PRO A 53 -12.675 1.080 0.482 1.00 0.00 C ATOM 784 C PRO A 53 -12.976 2.094 1.589 1.00 0.00 C ATOM 785 O PRO A 53 -13.620 3.121 1.372 1.00 0.00 O ATOM 786 CB PRO A 53 -12.335 1.701 -0.879 1.00 0.00 C ATOM 787 CG PRO A 53 -13.693 1.930 -1.543 1.00 0.00 C ATOM 788 CD PRO A 53 -14.532 0.770 -1.012 1.00 0.00 C ATOM 0 HA PRO A 53 -11.825 0.494 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.787 2.636 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.709 1.036 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.119 2.895 -1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.619 1.911 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.563 1.079 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.559 -0.052 -1.727 1.00 0.00 H new ATOM 796 N ASN A 54 -12.392 1.883 2.764 1.00 0.00 N ATOM 797 CA ASN A 54 -12.679 2.692 3.943 1.00 0.00 C ATOM 798 C ASN A 54 -11.497 3.612 4.143 1.00 0.00 C ATOM 799 O ASN A 54 -10.369 3.132 4.149 1.00 0.00 O ATOM 800 CB ASN A 54 -12.903 1.799 5.172 1.00 0.00 C ATOM 801 CG ASN A 54 -12.910 2.571 6.494 1.00 0.00 C ATOM 802 OD1 ASN A 54 -13.090 3.788 6.556 1.00 0.00 O ATOM 803 ND2 ASN A 54 -12.667 1.878 7.587 1.00 0.00 N ATOM 0 H ASN A 54 -11.706 1.146 2.926 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.593 3.270 3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.852 1.274 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.121 1.040 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.627 2.349 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.519 0.870 7.530 1.00 0.00 H new ATOM 810 N ASN A 55 -11.735 4.909 4.326 1.00 0.00 N ATOM 811 CA ASN A 55 -10.683 5.909 4.503 1.00 0.00 C ATOM 812 C ASN A 55 -9.652 5.534 5.575 1.00 0.00 C ATOM 813 O ASN A 55 -8.490 5.903 5.409 1.00 0.00 O ATOM 814 CB ASN A 55 -11.281 7.284 4.817 1.00 0.00 C ATOM 815 CG ASN A 55 -12.071 7.908 3.671 1.00 0.00 C ATOM 816 OD1 ASN A 55 -11.958 7.516 2.509 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.889 8.895 3.979 1.00 0.00 N ATOM 0 H ASN A 55 -12.676 5.301 4.356 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.151 5.946 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.935 7.192 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.474 7.962 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.441 9.347 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.970 9.207 4.947 1.00 0.00 H new ATOM 824 N GLN A 56 -10.006 4.804 6.645 1.00 0.00 N ATOM 825 CA GLN A 56 -8.985 4.305 7.574 1.00 0.00 C ATOM 826 C GLN A 56 -8.073 3.295 6.881 1.00 0.00 C ATOM 827 O GLN A 56 -6.864 3.499 6.822 1.00 0.00 O ATOM 828 CB GLN A 56 -9.562 3.673 8.845 1.00 0.00 C ATOM 829 CG GLN A 56 -10.047 4.727 9.839 1.00 0.00 C ATOM 830 CD GLN A 56 -9.832 4.265 11.279 1.00 0.00 C ATOM 831 OE1 GLN A 56 -8.735 4.397 11.815 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.844 3.760 11.959 1.00 0.00 N ATOM 0 H GLN A 56 -10.965 4.552 6.883 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.417 5.183 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.391 3.017 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.802 3.051 9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.514 5.663 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.105 4.929 9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.755 3.651 11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.716 3.479 12.931 1.00 0.00 H new ATOM 841 N VAL A 57 -8.645 2.203 6.376 1.00 0.00 N ATOM 842 CA VAL A 57 -7.912 1.109 5.757 1.00 0.00 C ATOM 843 C VAL A 57 -7.119 1.624 4.553 1.00 0.00 C ATOM 844 O VAL A 57 -5.924 1.355 4.480 1.00 0.00 O ATOM 845 CB VAL A 57 -8.886 -0.025 5.390 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.125 -1.195 4.756 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.662 -0.536 6.617 1.00 0.00 C ATOM 0 H VAL A 57 -9.654 2.055 6.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.187 0.697 6.459 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.602 0.386 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.826 -1.990 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.620 -0.854 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.387 -1.575 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.338 -1.335 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.960 -0.917 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.239 0.282 7.049 1.00 0.00 H new ATOM 857 N LEU A 58 -7.733 2.411 3.662 1.00 0.00 N ATOM 858 CA LEU A 58 -7.051 3.137 2.592 1.00 0.00 C ATOM 859 C LEU A 58 -5.838 3.862 3.161 1.00 0.00 C ATOM 860 O LEU A 58 -4.737 3.683 2.658 1.00 0.00 O ATOM 861 CB LEU A 58 -7.980 4.161 1.919 1.00 0.00 C ATOM 862 CG LEU A 58 -9.100 3.569 1.049 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.083 4.689 0.712 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.577 2.974 -0.262 1.00 0.00 C ATOM 0 H LEU A 58 -8.742 2.562 3.668 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.742 2.411 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.434 4.778 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.374 4.823 1.300 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.571 2.763 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.888 4.292 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.500 5.097 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.563 5.478 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.411 2.570 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.080 3.752 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.868 2.176 -0.042 1.00 0.00 H new ATOM 876 N GLY A 59 -6.014 4.630 4.236 1.00 0.00 N ATOM 877 CA GLY A 59 -4.937 5.328 4.912 1.00 0.00 C ATOM 878 C GLY A 59 -3.793 4.398 5.307 1.00 0.00 C ATOM 879 O GLY A 59 -2.626 4.752 5.117 1.00 0.00 O ATOM 0 H GLY A 59 -6.927 4.783 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.553 6.114 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.329 5.816 5.805 1.00 0.00 H new ATOM 883 N LYS A 60 -4.100 3.215 5.843 1.00 0.00 N ATOM 884 CA LYS A 60 -3.086 2.237 6.208 1.00 0.00 C ATOM 885 C LYS A 60 -2.387 1.718 4.953 1.00 0.00 C ATOM 886 O LYS A 60 -1.160 1.610 4.955 1.00 0.00 O ATOM 887 CB LYS A 60 -3.706 1.098 7.036 1.00 0.00 C ATOM 888 CG LYS A 60 -4.281 1.606 8.373 1.00 0.00 C ATOM 889 CD LYS A 60 -4.663 0.499 9.369 1.00 0.00 C ATOM 890 CE LYS A 60 -6.114 0.018 9.245 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.536 -0.773 10.424 1.00 0.00 N ATOM 0 H LYS A 60 -5.056 2.914 6.034 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.333 2.715 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.497 0.619 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.949 0.338 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.548 2.262 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.164 2.211 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.996 -0.351 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.498 0.864 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.773 0.878 9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.220 -0.587 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.522 -1.079 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.923 -1.608 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.459 -0.188 11.280 1.00 0.00 H new ATOM 905 N ILE A 61 -3.137 1.405 3.893 1.00 0.00 N ATOM 906 CA ILE A 61 -2.615 0.931 2.615 1.00 0.00 C ATOM 907 C ILE A 61 -1.679 1.981 2.013 1.00 0.00 C ATOM 908 O ILE A 61 -0.660 1.617 1.430 1.00 0.00 O ATOM 909 CB ILE A 61 -3.769 0.551 1.657 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.523 -0.681 2.189 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.266 0.274 0.221 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.702 -1.056 1.286 1.00 0.00 C ATOM 0 H ILE A 61 -4.154 1.478 3.904 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.032 0.024 2.777 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.445 1.405 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.837 -1.525 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.886 -0.479 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.111 0.011 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.779 1.166 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.554 -0.551 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.209 -1.930 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.401 -0.221 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.336 -1.284 0.285 1.00 0.00 H new ATOM 924 N GLU A 62 -1.973 3.272 2.155 1.00 0.00 N ATOM 925 CA GLU A 62 -1.088 4.296 1.609 1.00 0.00 C ATOM 926 C GLU A 62 0.302 4.143 2.212 1.00 0.00 C ATOM 927 O GLU A 62 1.279 4.090 1.474 1.00 0.00 O ATOM 928 CB GLU A 62 -1.598 5.725 1.862 1.00 0.00 C ATOM 929 CG GLU A 62 -2.929 6.066 1.190 1.00 0.00 C ATOM 930 CD GLU A 62 -3.665 7.252 1.820 1.00 0.00 C ATOM 931 OE1 GLU A 62 -3.122 7.961 2.707 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.844 7.456 1.463 1.00 0.00 O ATOM 0 H GLU A 62 -2.800 3.628 2.634 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.059 4.149 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.703 5.872 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.843 6.431 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.747 6.284 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.577 5.190 1.227 1.00 0.00 H new ATOM 939 N ARG A 63 0.418 3.991 3.536 1.00 0.00 N ATOM 940 CA ARG A 63 1.724 3.762 4.157 1.00 0.00 C ATOM 941 C ARG A 63 2.288 2.385 3.828 1.00 0.00 C ATOM 942 O ARG A 63 3.513 2.256 3.759 1.00 0.00 O ATOM 943 CB ARG A 63 1.674 4.047 5.666 1.00 0.00 C ATOM 944 CG ARG A 63 1.420 5.549 5.869 1.00 0.00 C ATOM 945 CD ARG A 63 1.906 6.073 7.226 1.00 0.00 C ATOM 946 NE ARG A 63 1.981 7.550 7.228 1.00 0.00 N ATOM 947 CZ ARG A 63 3.079 8.309 7.379 1.00 0.00 C ATOM 948 NH1 ARG A 63 4.261 7.767 7.646 1.00 0.00 N ATOM 949 NH2 ARG A 63 3.000 9.632 7.277 1.00 0.00 N ATOM 0 H ARG A 63 -0.365 4.022 4.189 1.00 0.00 H new ATOM 0 HA ARG A 63 2.427 4.474 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.884 3.462 6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.612 3.754 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.918 6.104 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.352 5.745 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.229 5.739 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.887 5.655 7.451 1.00 0.00 H new ATOM 0 HE ARG A 63 1.100 8.048 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.348 6.755 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.082 8.362 7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.102 10.076 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.837 10.203 7.393 1.00 0.00 H new ATOM 963 N ALA A 64 1.433 1.398 3.554 1.00 0.00 N ATOM 964 CA ALA A 64 1.842 0.058 3.161 1.00 0.00 C ATOM 965 C ALA A 64 2.715 0.069 1.903 1.00 0.00 C ATOM 966 O ALA A 64 3.674 -0.702 1.836 1.00 0.00 O ATOM 967 CB ALA A 64 0.608 -0.817 2.924 1.00 0.00 C ATOM 0 H ALA A 64 0.421 1.514 3.601 1.00 0.00 H new ATOM 0 HA ALA A 64 2.438 -0.353 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.923 -1.818 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.022 -0.875 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.000 -0.381 2.132 1.00 0.00 H new ATOM 973 N ILE A 65 2.385 0.911 0.914 1.00 0.00 N ATOM 974 CA ILE A 65 3.077 0.938 -0.381 1.00 0.00 C ATOM 975 C ILE A 65 3.784 2.268 -0.664 1.00 0.00 C ATOM 976 O ILE A 65 4.651 2.327 -1.531 1.00 0.00 O ATOM 977 CB ILE A 65 2.131 0.516 -1.528 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.024 1.558 -1.799 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.546 -0.877 -1.236 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.084 1.165 -2.941 1.00 0.00 C ATOM 0 H ILE A 65 1.630 1.593 0.990 1.00 0.00 H new ATOM 0 HA ILE A 65 3.875 0.198 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 65 2.719 0.464 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.439 1.700 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.487 2.516 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.880 -1.169 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.356 -1.602 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.987 -0.848 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.669 1.942 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.657 1.051 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.407 0.222 -2.700 1.00 0.00 H new ATOM 992 N GLY A 66 3.451 3.325 0.070 1.00 0.00 N ATOM 993 CA GLY A 66 3.967 4.671 -0.116 1.00 0.00 C ATOM 994 C GLY A 66 3.396 5.357 -1.350 1.00 0.00 C ATOM 995 O GLY A 66 4.067 6.225 -1.907 1.00 0.00 O ATOM 0 H GLY A 66 2.787 3.261 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.736 5.269 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.053 4.631 -0.198 1.00 0.00 H new ATOM 999 N LEU A 67 2.157 5.044 -1.741 1.00 0.00 N ATOM 1000 CA LEU A 67 1.419 5.776 -2.770 1.00 0.00 C ATOM 1001 C LEU A 67 0.087 6.257 -2.197 1.00 0.00 C ATOM 1002 O LEU A 67 -0.333 5.803 -1.135 1.00 0.00 O ATOM 1003 CB LEU A 67 1.205 4.933 -4.043 1.00 0.00 C ATOM 1004 CG LEU A 67 2.459 4.333 -4.717 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.025 3.465 -5.904 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.462 5.385 -5.217 1.00 0.00 C ATOM 0 H LEU A 67 1.633 4.264 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 67 2.015 6.639 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.531 4.113 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.693 5.555 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 67 2.969 3.748 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.906 3.039 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.380 2.661 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.481 4.077 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.314 4.885 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.978 6.029 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.806 5.988 -4.377 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.561 7.201 -2.881 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.876 7.744 -2.559 1.00 0.00 C ATOM 1020 C LYS A 68 -2.923 6.758 -3.029 1.00 0.00 C ATOM 1021 O LYS A 68 -2.786 6.216 -4.125 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.075 9.081 -3.294 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.266 10.180 -2.605 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.507 11.558 -3.219 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.759 12.554 -2.331 1.00 0.00 C ATOM 1026 NZ LYS A 68 -0.961 13.957 -2.729 1.00 0.00 N ATOM 0 H LYS A 68 -0.160 7.627 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.961 7.909 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.762 8.984 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.132 9.347 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.525 10.207 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.205 9.939 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.140 11.598 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.572 11.789 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.085 12.426 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.306 12.326 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.428 14.580 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.624 14.093 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.973 14.190 -2.676 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.990 6.571 -2.250 1.00 0.00 N ATOM 1041 CA LEU A 69 -5.080 5.648 -2.547 1.00 0.00 C ATOM 1042 C LEU A 69 -6.392 6.439 -2.643 1.00 0.00 C ATOM 1043 O LEU A 69 -7.462 5.839 -2.733 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.139 4.542 -1.475 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.155 3.367 -1.623 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.585 2.406 -2.723 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.701 3.715 -1.919 1.00 0.00 C ATOM 0 H LEU A 69 -4.121 7.073 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.913 5.155 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.970 5.004 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.151 4.136 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.195 2.929 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.865 1.591 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.569 2.001 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.629 2.937 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.116 2.798 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.643 4.266 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.303 4.330 -1.112 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.321 7.777 -2.613 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.422 8.720 -2.744 1.00 0.00 C ATOM 1061 C ARG A 70 -6.943 9.910 -3.568 1.00 0.00 C ATOM 1062 O ARG A 70 -5.737 10.071 -3.772 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.917 9.189 -1.366 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.319 8.023 -0.453 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.301 8.462 0.643 1.00 0.00 C ATOM 1066 NE ARG A 70 -8.605 9.249 1.669 1.00 0.00 N ATOM 1067 CZ ARG A 70 -8.494 10.578 1.748 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -9.249 11.379 1.002 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -7.599 11.104 2.575 1.00 0.00 N ATOM 0 H ARG A 70 -5.428 8.254 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.259 8.231 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.133 9.771 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.771 9.853 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.773 7.234 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.427 7.600 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.104 9.054 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.763 7.586 1.099 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.151 8.716 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.929 10.981 0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.148 12.391 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.007 10.495 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.503 12.117 2.646 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.891 10.750 -3.979 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.738 11.713 -5.051 1.00 0.00 C ATOM 1085 C GLY A 71 -7.624 10.986 -6.388 1.00 0.00 C ATOM 1086 O GLY A 71 -7.182 9.842 -6.452 1.00 0.00 O ATOM 0 H GLY A 71 -8.818 10.774 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.591 12.391 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.850 12.322 -4.881 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.918 11.669 -7.495 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.521 11.171 -8.817 1.00 0.00 C ATOM 1092 C LYS A 72 -5.998 11.128 -8.963 1.00 0.00 C ATOM 1093 O LYS A 72 -5.497 10.408 -9.826 1.00 0.00 O ATOM 1094 CB LYS A 72 -8.144 12.028 -9.919 1.00 0.00 C ATOM 1095 CG LYS A 72 -9.588 11.599 -10.207 1.00 0.00 C ATOM 1096 CD LYS A 72 -10.309 12.590 -11.118 1.00 0.00 C ATOM 1097 CE LYS A 72 -10.658 13.866 -10.342 1.00 0.00 C ATOM 1098 NZ LYS A 72 -10.758 15.035 -11.233 1.00 0.00 N ATOM 0 H LYS A 72 -8.422 12.556 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.892 10.151 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.126 13.076 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.549 11.944 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.587 10.613 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.133 11.508 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.678 12.836 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.218 12.136 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.603 13.726 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.897 14.050 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.995 15.879 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.848 15.183 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.501 14.869 -11.941 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.267 11.811 -8.075 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.817 11.735 -7.871 1.00 0.00 C ATOM 1114 C ASP A 73 -3.385 10.362 -7.325 1.00 0.00 C ATOM 1115 O ASP A 73 -2.263 10.210 -6.843 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.343 12.821 -6.884 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.883 14.217 -7.167 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.625 14.791 -8.251 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -4.576 14.756 -6.276 1.00 0.00 O ATOM 0 H ASP A 73 -5.703 12.477 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.359 11.890 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.637 12.530 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.254 12.857 -6.900 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.263 9.359 -7.324 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.966 8.013 -6.886 1.00 0.00 C ATOM 1126 C ILE A 74 -2.712 7.483 -7.590 1.00 0.00 C ATOM 1127 O ILE A 74 -2.465 7.762 -8.771 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.211 7.148 -7.149 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.282 6.033 -6.102 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.364 6.781 -8.633 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.430 5.048 -6.283 1.00 0.00 C ATOM 0 H ILE A 74 -5.226 9.474 -7.639 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.742 7.987 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.132 7.710 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.343 5.480 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.366 6.488 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.257 6.170 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.455 7.691 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.489 6.220 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.394 4.298 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.379 5.582 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.340 4.558 -7.253 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.918 6.693 -6.875 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.699 6.113 -7.412 1.00 0.00 C ATOM 1145 C GLY A 75 0.424 7.130 -7.583 1.00 0.00 C ATOM 1146 O GLY A 75 1.541 6.733 -7.914 1.00 0.00 O ATOM 0 H GLY A 75 -2.105 6.438 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.361 5.316 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.916 5.655 -8.377 1.00 0.00 H new ATOM 1150 N LYS A 76 0.190 8.420 -7.322 1.00 0.00 N ATOM 1151 CA LYS A 76 1.259 9.337 -6.996 1.00 0.00 C ATOM 1152 C LYS A 76 1.760 8.928 -5.617 1.00 0.00 C ATOM 1153 O LYS A 76 0.985 8.403 -4.817 1.00 0.00 O ATOM 1154 CB LYS A 76 0.772 10.784 -6.957 1.00 0.00 C ATOM 1155 CG LYS A 76 0.176 11.248 -8.288 1.00 0.00 C ATOM 1156 CD LYS A 76 1.198 11.906 -9.200 1.00 0.00 C ATOM 1157 CE LYS A 76 0.569 12.154 -10.571 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.390 13.088 -11.361 1.00 0.00 N ATOM 0 H LYS A 76 -0.738 8.843 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 76 2.042 9.289 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.022 10.889 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.605 11.435 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.263 10.392 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.633 11.951 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.536 12.847 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.076 11.268 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.468 11.210 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.435 12.560 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.945 13.243 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.465 13.995 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.340 12.687 -11.496 1.00 0.00 H new ATOM 1172 N PRO A 77 3.032 9.158 -5.316 1.00 0.00 N ATOM 1173 CA PRO A 77 3.615 8.758 -4.056 1.00 0.00 C ATOM 1174 C PRO A 77 3.061 9.586 -2.899 1.00 0.00 C ATOM 1175 O PRO A 77 2.596 10.715 -3.086 1.00 0.00 O ATOM 1176 CB PRO A 77 5.124 8.872 -4.236 1.00 0.00 C ATOM 1177 CG PRO A 77 5.313 9.736 -5.484 1.00 0.00 C ATOM 1178 CD PRO A 77 3.990 9.692 -6.243 1.00 0.00 C ATOM 0 HA PRO A 77 3.358 7.733 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.591 9.331 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.581 7.891 -4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.571 10.760 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.127 9.355 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.698 10.687 -6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.068 9.065 -7.131 1.00 0.00 H new ATOM 1186 N ILE A 78 3.170 9.039 -1.690 1.00 0.00 N ATOM 1187 CA ILE A 78 3.124 9.814 -0.460 1.00 0.00 C ATOM 1188 C ILE A 78 4.577 9.958 -0.004 1.00 0.00 C ATOM 1189 O ILE A 78 5.400 9.063 -0.237 1.00 0.00 O ATOM 1190 CB ILE A 78 2.214 9.161 0.616 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.649 7.748 1.053 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.777 9.051 0.092 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.023 7.286 2.372 1.00 0.00 C ATOM 0 H ILE A 78 3.294 8.038 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 78 2.673 10.793 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 78 2.294 9.817 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.385 7.038 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.734 7.726 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.146 8.592 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.398 10.046 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.764 8.437 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.378 6.284 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.308 7.972 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.937 7.273 2.275 1.00 0.00 H new