USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 CYS SG : rot 116:sc= 0.363 USER MOD Set 1.2: A 87 CYS SG : rot -116:sc= 0.857 USER MOD Single : A 9 SER OG : rot 31:sc= 0.00382 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -82:sc= 0.51 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -149:sc= -0.129 (180deg=-1.84!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.181 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.024) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 9 5.395 -3.532 -13.586 1.00 1.00 N ATOM 129 CA SER A 9 4.500 -4.357 -14.473 1.00 1.00 C ATOM 130 C SER A 9 2.984 -3.990 -14.347 1.00 1.00 C ATOM 131 O SER A 9 2.220 -4.188 -15.313 1.00 1.00 O ATOM 132 CB SER A 9 4.710 -5.843 -14.169 1.00 1.00 C ATOM 133 OG SER A 9 5.998 -6.270 -14.581 1.00 1.00 O ATOM 0 HA SER A 9 4.781 -4.134 -15.502 1.00 1.00 H new ATOM 0 HB2 SER A 9 4.589 -6.020 -13.100 1.00 1.00 H new ATOM 0 HB3 SER A 9 3.948 -6.433 -14.678 1.00 1.00 H new ATOM 0 HG SER A 9 6.631 -5.526 -14.501 1.00 1.00 H new ATOM 139 N ALA A 10 2.594 -3.434 -13.133 1.00 1.00 N ATOM 140 CA ALA A 10 1.221 -2.942 -12.774 1.00 1.00 C ATOM 141 C ALA A 10 0.870 -1.549 -13.404 1.00 1.00 C ATOM 142 O ALA A 10 -0.316 -1.291 -13.683 1.00 1.00 O ATOM 143 CB ALA A 10 1.074 -2.903 -11.260 1.00 1.00 C ATOM 0 H ALA A 10 3.255 -3.319 -12.365 1.00 1.00 H new ATOM 0 HA ALA A 10 0.507 -3.647 -13.200 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.077 -2.546 -11.000 1.00 1.00 H new ATOM 0 HB2 ALA A 10 1.218 -3.905 -10.855 1.00 1.00 H new ATOM 0 HB3 ALA A 10 1.822 -2.231 -10.839 1.00 1.00 H new ATOM 149 N THR A 11 1.943 -0.674 -13.618 1.00 1.00 N ATOM 150 CA THR A 11 1.864 0.703 -14.269 1.00 1.00 C ATOM 151 C THR A 11 1.674 0.611 -15.824 1.00 1.00 C ATOM 152 O THR A 11 0.939 1.419 -16.392 1.00 1.00 O ATOM 153 CB THR A 11 3.120 1.611 -13.973 1.00 1.00 C ATOM 154 OG1 THR A 11 4.349 0.886 -14.168 1.00 1.00 O ATOM 155 CG2 THR A 11 3.092 2.216 -12.563 1.00 1.00 C ATOM 0 H THR A 11 2.894 -0.915 -13.338 1.00 1.00 H new ATOM 0 HA THR A 11 0.989 1.168 -13.816 1.00 1.00 H new ATOM 0 HB THR A 11 3.073 2.432 -14.688 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.109 1.474 -13.979 1.00 1.00 H new ATOM 0 HG21 THR A 11 3.979 2.831 -12.413 1.00 1.00 H new ATOM 0 HG22 THR A 11 2.200 2.832 -12.449 1.00 1.00 H new ATOM 0 HG23 THR A 11 3.077 1.415 -11.824 1.00 1.00 H new ATOM 163 N ARG A 12 2.456 -0.361 -16.474 1.00 1.00 N ATOM 164 CA ARG A 12 2.349 -0.679 -17.975 1.00 1.00 C ATOM 165 C ARG A 12 0.860 -1.001 -18.421 1.00 1.00 C ATOM 166 O ARG A 12 0.445 -0.571 -19.511 1.00 1.00 O ATOM 167 CB ARG A 12 3.300 -1.833 -18.357 1.00 1.00 C ATOM 168 CG ARG A 12 4.702 -1.370 -18.759 1.00 1.00 C ATOM 169 CD ARG A 12 5.691 -2.533 -18.877 1.00 1.00 C ATOM 170 NE ARG A 12 5.721 -3.151 -20.240 1.00 1.00 N ATOM 171 CZ ARG A 12 5.908 -4.480 -20.564 1.00 1.00 C ATOM 172 NH1 ARG A 12 6.016 -5.481 -19.660 1.00 1.00 N ATOM 173 NH2 ARG A 12 5.979 -4.803 -21.849 1.00 1.00 N ATOM 0 H ARG A 12 3.153 -0.926 -15.989 1.00 1.00 H new ATOM 0 HA ARG A 12 2.653 0.218 -18.515 1.00 1.00 H new ATOM 0 HB2 ARG A 12 3.382 -2.518 -17.513 1.00 1.00 H new ATOM 0 HB3 ARG A 12 2.862 -2.394 -19.182 1.00 1.00 H new ATOM 0 HG2 ARG A 12 4.648 -0.844 -19.712 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.071 -0.657 -18.022 1.00 1.00 H new ATOM 0 HD2 ARG A 12 6.690 -2.178 -18.625 1.00 1.00 H new ATOM 0 HD3 ARG A 12 5.431 -3.298 -18.145 1.00 1.00 H new ATOM 0 HE ARG A 12 5.587 -2.513 -21.024 1.00 1.00 H new ATOM 0 HH11 ARG A 12 5.960 -5.276 -18.662 1.00 1.00 H new ATOM 0 HH12 ARG A 12 6.153 -6.441 -19.976 1.00 1.00 H new ATOM 0 HH21 ARG A 12 5.896 -4.079 -22.562 1.00 1.00 H new ATOM 0 HH22 ARG A 12 6.117 -5.776 -22.124 1.00 1.00 H new ATOM 187 N ARG A 13 0.096 -1.771 -17.521 1.00 1.00 N ATOM 188 CA ARG A 13 -1.394 -2.075 -17.647 1.00 1.00 C ATOM 189 C ARG A 13 -2.290 -0.799 -17.388 1.00 1.00 C ATOM 190 O ARG A 13 -3.350 -0.637 -18.018 1.00 1.00 O ATOM 191 CB ARG A 13 -1.793 -3.239 -16.717 1.00 1.00 C ATOM 192 CG ARG A 13 -1.733 -4.599 -17.408 1.00 1.00 C ATOM 193 CD ARG A 13 -1.482 -5.740 -16.427 1.00 1.00 C ATOM 194 NE ARG A 13 -2.749 -6.350 -15.927 1.00 1.00 N ATOM 195 CZ ARG A 13 -2.925 -7.168 -14.832 1.00 1.00 C ATOM 196 NH1 ARG A 13 -1.931 -7.576 -14.010 1.00 1.00 N ATOM 197 NH2 ARG A 13 -4.149 -7.593 -14.569 1.00 1.00 N ATOM 0 H ARG A 13 0.510 -2.193 -16.690 1.00 1.00 H new ATOM 0 HA ARG A 13 -1.577 -2.380 -18.677 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -1.132 -3.248 -15.850 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -2.804 -3.070 -16.345 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -2.670 -4.777 -17.936 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.942 -4.588 -18.158 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -0.880 -6.507 -16.913 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -0.903 -5.368 -15.582 1.00 1.00 H new ATOM 0 HE ARG A 13 -3.590 -6.135 -16.463 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -0.971 -7.277 -14.183 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -2.141 -8.183 -13.218 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -4.926 -7.314 -15.169 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -4.317 -8.200 -13.767 1.00 1.00 H new ATOM 211 N GLU A 14 -1.796 0.056 -16.408 1.00 1.00 N ATOM 212 CA GLU A 14 -2.394 1.405 -16.032 1.00 1.00 C ATOM 213 C GLU A 14 -2.302 2.456 -17.202 1.00 1.00 C ATOM 214 O GLU A 14 -3.199 3.302 -17.338 1.00 1.00 O ATOM 215 CB GLU A 14 -1.738 1.960 -14.755 1.00 1.00 C ATOM 216 CG GLU A 14 -2.537 1.693 -13.485 1.00 1.00 C ATOM 217 CD GLU A 14 -1.977 2.415 -12.274 1.00 1.00 C ATOM 218 OE1 GLU A 14 -1.095 1.845 -11.595 1.00 1.00 O ATOM 219 OE2 GLU A 14 -2.426 3.547 -11.998 1.00 1.00 O ATOM 0 H GLU A 14 -0.969 -0.174 -15.856 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.453 1.234 -15.839 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -0.746 1.521 -14.648 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.600 3.035 -14.867 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.571 2.002 -13.640 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -2.551 0.621 -13.289 1.00 1.00 H new ATOM 226 N LYS A 15 -1.169 2.363 -18.030 1.00 1.00 N ATOM 227 CA LYS A 15 -0.871 3.177 -19.269 1.00 1.00 C ATOM 228 C LYS A 15 -1.880 2.895 -20.433 1.00 1.00 C ATOM 229 O LYS A 15 -2.242 3.839 -21.155 1.00 1.00 O ATOM 230 CB LYS A 15 0.574 2.908 -19.747 1.00 1.00 C ATOM 231 CG LYS A 15 1.604 3.927 -19.261 1.00 1.00 C ATOM 232 CD LYS A 15 3.023 3.536 -19.685 1.00 1.00 C ATOM 233 CE LYS A 15 4.060 4.564 -19.234 1.00 1.00 C ATOM 234 NZ LYS A 15 5.445 4.197 -19.664 1.00 1.00 N ATOM 0 H LYS A 15 -0.426 1.693 -17.831 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.981 4.226 -18.995 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.876 1.916 -19.410 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.585 2.891 -20.837 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.361 4.911 -19.662 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.556 4.005 -18.175 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.272 2.562 -19.264 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.062 3.434 -20.769 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.802 5.541 -19.642 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.031 4.655 -18.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 6.114 4.923 -19.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.704 3.277 -19.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.482 4.136 -20.702 1.00 1.00 H new ATOM 248 N ILE A 16 -2.320 1.561 -20.595 1.00 1.00 N ATOM 249 CA ILE A 16 -3.384 1.076 -21.588 1.00 1.00 C ATOM 250 C ILE A 16 -4.778 1.763 -21.221 1.00 1.00 C ATOM 251 O ILE A 16 -5.395 2.354 -22.099 1.00 1.00 O ATOM 252 CB ILE A 16 -3.476 -0.563 -21.712 1.00 1.00 C ATOM 253 CG1 ILE A 16 -2.085 -1.207 -22.075 1.00 1.00 C ATOM 254 CG2 ILE A 16 -4.511 -1.065 -22.793 1.00 1.00 C ATOM 255 CD1 ILE A 16 -1.644 -2.390 -21.207 1.00 1.00 C ATOM 0 H ILE A 16 -1.939 0.799 -20.034 1.00 1.00 H new ATOM 0 HA ILE A 16 -3.090 1.388 -22.590 1.00 1.00 H new ATOM 0 HB ILE A 16 -3.809 -0.879 -20.724 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -2.120 -1.537 -23.113 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -1.321 -0.432 -22.013 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -4.514 -2.155 -22.815 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -5.507 -0.704 -22.538 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -4.227 -0.683 -23.774 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -0.674 -2.751 -21.549 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -1.566 -2.070 -20.168 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -2.378 -3.192 -21.286 1.00 1.00 H new ATOM 267 N ILE A 17 -5.168 1.696 -19.889 1.00 1.00 N ATOM 268 CA ILE A 17 -6.416 2.319 -19.297 1.00 1.00 C ATOM 269 C ILE A 17 -6.388 3.942 -19.264 1.00 1.00 C ATOM 270 O ILE A 17 -7.457 4.560 -19.101 1.00 1.00 O ATOM 271 CB ILE A 17 -6.790 1.579 -17.896 1.00 1.00 C ATOM 272 CG1 ILE A 17 -8.331 1.499 -17.690 1.00 1.00 C ATOM 273 CG2 ILE A 17 -6.102 2.119 -16.597 1.00 1.00 C ATOM 274 CD1 ILE A 17 -8.891 0.080 -17.679 1.00 1.00 C ATOM 0 H ILE A 17 -4.613 1.200 -19.192 1.00 1.00 H new ATOM 0 HA ILE A 17 -7.254 2.135 -19.969 1.00 1.00 H new ATOM 0 HB ILE A 17 -6.364 0.585 -18.031 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -8.585 1.985 -16.748 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -8.821 2.064 -18.483 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -6.439 1.538 -15.738 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -5.020 2.029 -16.694 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -6.368 3.166 -16.453 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -9.970 0.116 -17.530 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -8.672 -0.405 -18.630 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -8.432 -0.486 -16.869 1.00 1.00 H new ATOM 286 N GLU A 18 -5.137 4.543 -19.417 1.00 1.00 N ATOM 287 CA GLU A 18 -4.868 6.021 -19.339 1.00 1.00 C ATOM 288 C GLU A 18 -4.857 6.711 -20.743 1.00 1.00 C ATOM 289 O GLU A 18 -5.409 7.821 -20.851 1.00 1.00 O ATOM 290 CB GLU A 18 -3.552 6.321 -18.575 1.00 1.00 C ATOM 291 CG GLU A 18 -3.726 6.476 -17.063 1.00 1.00 C ATOM 292 CD GLU A 18 -2.407 6.663 -16.330 1.00 1.00 C ATOM 293 OE1 GLU A 18 -1.788 5.643 -15.956 1.00 1.00 O ATOM 294 OE2 GLU A 18 -2.003 7.824 -16.119 1.00 1.00 O ATOM 0 H GLU A 18 -4.293 3.999 -19.598 1.00 1.00 H new ATOM 0 HA GLU A 18 -5.699 6.448 -18.778 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.842 5.517 -18.767 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.113 7.235 -18.975 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -4.371 7.331 -16.863 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.233 5.595 -16.669 1.00 1.00 H new ATOM 301 N LEU A 19 -4.222 6.050 -21.803 1.00 1.00 N ATOM 302 CA LEU A 19 -4.118 6.569 -23.222 1.00 1.00 C ATOM 303 C LEU A 19 -5.333 6.211 -24.148 1.00 1.00 C ATOM 304 O LEU A 19 -5.648 7.000 -25.064 1.00 1.00 O ATOM 305 CB LEU A 19 -2.812 6.064 -23.862 1.00 1.00 C ATOM 306 CG LEU A 19 -1.946 7.133 -24.548 1.00 1.00 C ATOM 307 CD1 LEU A 19 -0.574 7.196 -23.900 1.00 1.00 C ATOM 308 CD2 LEU A 19 -1.803 6.834 -26.032 1.00 1.00 C ATOM 0 H LEU A 19 -3.772 5.143 -21.683 1.00 1.00 H new ATOM 0 HA LEU A 19 -4.124 7.656 -23.139 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -2.214 5.580 -23.089 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -3.062 5.299 -24.597 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.439 8.098 -24.431 1.00 1.00 H new ATOM 0 HD11 LEU A 19 0.028 7.957 -24.396 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -0.681 7.449 -22.845 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -0.083 6.227 -23.993 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -1.187 7.602 -26.500 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -1.331 5.860 -26.163 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.788 6.826 -26.498 1.00 1.00 H new ATOM 320 N LEU A 20 -5.992 5.022 -23.862 1.00 1.00 N ATOM 321 CA LEU A 20 -7.151 4.470 -24.654 1.00 1.00 C ATOM 322 C LEU A 20 -8.561 5.078 -24.352 1.00 1.00 C ATOM 323 O LEU A 20 -9.506 4.836 -25.138 1.00 1.00 O ATOM 324 CB LEU A 20 -7.154 2.878 -24.620 1.00 1.00 C ATOM 325 CG LEU A 20 -6.259 2.005 -25.632 1.00 1.00 C ATOM 326 CD1 LEU A 20 -6.708 2.080 -27.101 1.00 1.00 C ATOM 327 CD2 LEU A 20 -4.741 2.264 -25.550 1.00 1.00 C ATOM 0 H LEU A 20 -5.729 4.427 -23.076 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.966 4.808 -25.673 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.866 2.584 -23.611 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.188 2.562 -24.761 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.440 0.993 -25.269 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -6.051 1.463 -27.714 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -7.732 1.717 -27.187 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.660 3.114 -27.444 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -4.224 1.629 -26.270 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -4.538 3.310 -25.778 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -4.387 2.036 -24.545 1.00 1.00 H new ATOM 339 N LEU A 21 -8.712 5.936 -23.239 1.00 1.00 N ATOM 340 CA LEU A 21 -9.957 6.670 -22.823 1.00 1.00 C ATOM 341 C LEU A 21 -10.128 8.042 -23.582 1.00 1.00 C ATOM 342 O LEU A 21 -11.237 8.622 -23.582 1.00 1.00 O ATOM 343 CB LEU A 21 -9.918 6.895 -21.298 1.00 1.00 C ATOM 344 CG LEU A 21 -11.090 6.298 -20.515 1.00 1.00 C ATOM 345 CD1 LEU A 21 -10.597 5.289 -19.490 1.00 1.00 C ATOM 346 CD2 LEU A 21 -11.865 7.403 -19.826 1.00 1.00 C ATOM 0 H LEU A 21 -7.933 6.122 -22.607 1.00 1.00 H new ATOM 0 HA LEU A 21 -10.819 6.059 -23.091 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -8.991 6.473 -20.909 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -9.885 7.968 -21.107 1.00 1.00 H new ATOM 0 HG LEU A 21 -11.746 5.781 -21.215 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -11.447 4.878 -18.946 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -10.068 4.483 -19.998 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -9.922 5.782 -18.790 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -12.698 6.972 -19.271 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -11.207 7.935 -19.139 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -12.248 8.099 -20.573 1.00 1.00 H new ATOM 358 N GLU A 22 -8.997 8.499 -24.233 1.00 1.00 N ATOM 359 CA GLU A 22 -8.912 9.747 -25.045 1.00 1.00 C ATOM 360 C GLU A 22 -9.015 9.464 -26.582 1.00 1.00 C ATOM 361 O GLU A 22 -9.502 10.345 -27.323 1.00 1.00 O ATOM 362 CB GLU A 22 -7.602 10.495 -24.740 1.00 1.00 C ATOM 363 CG GLU A 22 -7.734 11.595 -23.695 1.00 1.00 C ATOM 364 CD GLU A 22 -6.457 12.404 -23.547 1.00 1.00 C ATOM 365 OE1 GLU A 22 -5.587 12.008 -22.739 1.00 1.00 O ATOM 366 OE2 GLU A 22 -6.326 13.435 -24.240 1.00 1.00 O ATOM 0 H GLU A 22 -8.112 7.993 -24.199 1.00 1.00 H new ATOM 0 HA GLU A 22 -9.763 10.368 -24.766 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -6.858 9.775 -24.400 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.224 10.932 -25.664 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -8.553 12.259 -23.971 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -7.994 11.151 -22.734 1.00 1.00 H new ATOM 373 N GLY A 23 -8.556 8.230 -27.013 1.00 1.00 N ATOM 374 CA GLY A 23 -8.572 7.780 -28.426 1.00 1.00 C ATOM 375 C GLY A 23 -8.504 6.257 -28.588 1.00 1.00 C ATOM 376 O GLY A 23 -8.367 5.518 -27.586 1.00 1.00 O ATOM 0 H GLY A 23 -8.169 7.535 -26.375 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -9.480 8.147 -28.905 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.730 8.230 -28.951 1.00 1.00 H new ATOM 380 N ASP A 24 -8.604 5.810 -29.873 1.00 1.00 N ATOM 381 CA ASP A 24 -8.541 4.369 -30.282 1.00 1.00 C ATOM 382 C ASP A 24 -7.198 4.076 -30.980 1.00 1.00 C ATOM 383 O ASP A 24 -6.832 4.789 -31.944 1.00 1.00 O ATOM 384 CB ASP A 24 -9.776 3.890 -31.159 1.00 1.00 C ATOM 385 CG ASP A 24 -10.254 4.827 -32.298 1.00 1.00 C ATOM 386 OD1 ASP A 24 -11.022 5.767 -32.009 1.00 1.00 O ATOM 387 OD2 ASP A 24 -9.849 4.607 -33.459 1.00 1.00 O ATOM 0 H ASP A 24 -8.732 6.443 -30.663 1.00 1.00 H new ATOM 0 HA ASP A 24 -8.606 3.781 -29.366 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -9.521 2.927 -31.601 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -10.618 3.720 -30.488 1.00 1.00 H new ATOM 392 N TYR A 25 -6.478 3.029 -30.470 1.00 1.00 N ATOM 393 CA TYR A 25 -5.160 2.550 -30.969 1.00 1.00 C ATOM 394 C TYR A 25 -5.154 1.019 -31.053 1.00 1.00 C ATOM 395 O TYR A 25 -5.665 0.327 -30.142 1.00 1.00 O ATOM 396 CB TYR A 25 -3.965 3.055 -30.068 1.00 1.00 C ATOM 397 CG TYR A 25 -3.541 4.515 -30.283 1.00 1.00 C ATOM 398 CD1 TYR A 25 -2.572 4.856 -31.237 1.00 1.00 C ATOM 399 CD2 TYR A 25 -4.098 5.552 -29.527 1.00 1.00 C ATOM 400 CE1 TYR A 25 -2.184 6.169 -31.427 1.00 1.00 C ATOM 401 CE2 TYR A 25 -3.709 6.864 -29.717 1.00 1.00 C ATOM 402 CZ TYR A 25 -2.755 7.167 -30.666 1.00 1.00 C ATOM 403 OH TYR A 25 -2.367 8.476 -30.852 1.00 1.00 O ATOM 0 H TYR A 25 -6.814 2.483 -29.677 1.00 1.00 H new ATOM 0 HA TYR A 25 -5.014 2.968 -31.965 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -4.243 2.927 -29.022 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -3.102 2.415 -30.249 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -2.120 4.078 -31.835 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -4.845 5.323 -28.782 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -1.437 6.412 -32.168 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -4.151 7.651 -29.124 1.00 1.00 H new ATOM 0 HH TYR A 25 -2.865 9.055 -30.238 1.00 1.00 H new ATOM 413 N SER A 26 -4.524 0.518 -32.151 1.00 1.00 N ATOM 414 CA SER A 26 -4.369 -0.939 -32.502 1.00 1.00 C ATOM 415 C SER A 26 -3.238 -1.646 -31.647 1.00 1.00 C ATOM 416 O SER A 26 -2.422 -0.883 -31.089 1.00 1.00 O ATOM 417 CB SER A 26 -4.029 -1.065 -33.990 1.00 1.00 C ATOM 418 OG SER A 26 -5.198 -1.093 -34.787 1.00 1.00 O ATOM 0 H SER A 26 -4.093 1.129 -32.844 1.00 1.00 H new ATOM 0 HA SER A 26 -5.313 -1.436 -32.277 1.00 1.00 H new ATOM 0 HB2 SER A 26 -3.400 -0.228 -34.293 1.00 1.00 H new ATOM 0 HB3 SER A 26 -3.451 -1.974 -34.157 1.00 1.00 H new ATOM 0 HG SER A 26 -4.948 -1.172 -35.731 1.00 1.00 H new ATOM 424 N PRO A 27 -3.125 -3.100 -31.489 1.00 1.00 N ATOM 425 CA PRO A 27 -2.026 -3.784 -30.660 1.00 1.00 C ATOM 426 C PRO A 27 -0.564 -3.310 -30.984 1.00 1.00 C ATOM 427 O PRO A 27 0.180 -2.985 -30.040 1.00 1.00 O ATOM 428 CB PRO A 27 -2.258 -5.279 -30.968 1.00 1.00 C ATOM 429 CG PRO A 27 -3.723 -5.357 -31.134 1.00 1.00 C ATOM 430 CD PRO A 27 -4.050 -4.185 -32.011 1.00 1.00 C ATOM 0 HA PRO A 27 -2.099 -3.536 -29.601 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -1.732 -5.592 -31.870 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -1.909 -5.918 -30.157 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -4.023 -6.298 -31.596 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -4.238 -5.294 -30.175 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -3.863 -4.403 -33.063 1.00 1.00 H new ATOM 0 HD3 PRO A 27 -5.098 -3.897 -31.926 1.00 1.00 H new ATOM 438 N SER A 28 -0.193 -3.284 -32.339 1.00 1.00 N ATOM 439 CA SER A 28 1.118 -2.731 -32.878 1.00 1.00 C ATOM 440 C SER A 28 1.351 -1.201 -32.535 1.00 1.00 C ATOM 441 O SER A 28 2.506 -0.795 -32.322 1.00 1.00 O ATOM 442 CB SER A 28 1.216 -2.970 -34.400 1.00 1.00 C ATOM 443 OG SER A 28 0.101 -2.445 -35.123 1.00 1.00 O ATOM 0 H SER A 28 -0.800 -3.647 -33.074 1.00 1.00 H new ATOM 0 HA SER A 28 1.913 -3.277 -32.371 1.00 1.00 H new ATOM 0 HB2 SER A 28 2.132 -2.514 -34.775 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.293 -4.041 -34.589 1.00 1.00 H new ATOM 0 HG SER A 28 0.218 -2.624 -36.079 1.00 1.00 H new ATOM 449 N GLU A 29 0.200 -0.386 -32.496 1.00 1.00 N ATOM 450 CA GLU A 29 0.167 1.089 -32.089 1.00 1.00 C ATOM 451 C GLU A 29 0.410 1.260 -30.546 1.00 1.00 C ATOM 452 O GLU A 29 1.024 2.255 -30.117 1.00 1.00 O ATOM 453 CB GLU A 29 -1.156 1.749 -32.512 1.00 1.00 C ATOM 454 CG GLU A 29 -1.074 2.435 -33.862 1.00 1.00 C ATOM 455 CD GLU A 29 -2.436 2.628 -34.503 1.00 1.00 C ATOM 456 OE1 GLU A 29 -3.064 3.679 -34.259 1.00 1.00 O ATOM 457 OE2 GLU A 29 -2.875 1.724 -35.246 1.00 1.00 O ATOM 0 H GLU A 29 -0.722 -0.743 -32.747 1.00 1.00 H new ATOM 0 HA GLU A 29 0.979 1.594 -32.612 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -1.939 0.992 -32.543 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -1.448 2.479 -31.757 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -0.592 3.405 -33.744 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -0.444 1.845 -34.527 1.00 1.00 H new ATOM 464 N LEU A 30 -0.133 0.253 -29.769 1.00 1.00 N ATOM 465 CA LEU A 30 0.088 0.055 -28.289 1.00 1.00 C ATOM 466 C LEU A 30 1.567 -0.374 -27.894 1.00 1.00 C ATOM 467 O LEU A 30 1.944 -0.341 -26.699 1.00 1.00 O ATOM 468 CB LEU A 30 -0.953 -0.933 -27.726 1.00 1.00 C ATOM 469 CG LEU A 30 -2.209 -0.274 -27.146 1.00 1.00 C ATOM 470 CD1 LEU A 30 -3.463 -0.909 -27.713 1.00 1.00 C ATOM 471 CD2 LEU A 30 -2.213 -0.365 -25.623 1.00 1.00 C ATOM 0 H LEU A 30 -0.749 -0.456 -30.166 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.048 1.033 -27.829 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -1.251 -1.618 -28.520 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.481 -1.533 -26.948 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.197 0.778 -27.430 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.341 -0.424 -27.286 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.473 -0.790 -28.796 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.478 -1.970 -27.465 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.114 0.109 -25.233 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -2.194 -1.412 -25.321 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.334 0.143 -25.226 1.00 1.00 H new ATOM 483 N ALA A 31 2.375 -0.704 -28.962 1.00 1.00 N ATOM 484 CA ALA A 31 3.817 -1.036 -28.925 1.00 1.00 C ATOM 485 C ALA A 31 4.684 0.189 -29.318 1.00 1.00 C ATOM 486 O ALA A 31 5.793 0.338 -28.775 1.00 1.00 O ATOM 487 CB ALA A 31 4.083 -2.217 -29.853 1.00 1.00 C ATOM 0 H ALA A 31 2.003 -0.743 -29.911 1.00 1.00 H new ATOM 0 HA ALA A 31 4.094 -1.311 -27.907 1.00 1.00 H new ATOM 0 HB1 ALA A 31 5.144 -2.466 -29.830 1.00 1.00 H new ATOM 0 HB2 ALA A 31 3.501 -3.077 -29.523 1.00 1.00 H new ATOM 0 HB3 ALA A 31 3.795 -1.953 -30.870 1.00 1.00 H new ATOM 493 N ARG A 32 4.147 1.066 -30.283 1.00 1.00 N ATOM 494 CA ARG A 32 4.767 2.352 -30.775 1.00 1.00 C ATOM 495 C ARG A 32 4.923 3.396 -29.603 1.00 1.00 C ATOM 496 O ARG A 32 6.018 3.954 -29.434 1.00 1.00 O ATOM 497 CB ARG A 32 3.917 2.919 -31.947 1.00 1.00 C ATOM 498 CG ARG A 32 4.386 2.507 -33.337 1.00 1.00 C ATOM 499 CD ARG A 32 4.295 3.688 -34.299 1.00 1.00 C ATOM 500 NE ARG A 32 4.707 3.357 -35.699 1.00 1.00 N ATOM 501 CZ ARG A 32 5.745 3.912 -36.427 1.00 1.00 C ATOM 502 NH1 ARG A 32 6.630 4.801 -35.926 1.00 1.00 N ATOM 503 NH2 ARG A 32 5.894 3.548 -37.695 1.00 1.00 N ATOM 0 H ARG A 32 3.253 0.875 -30.735 1.00 1.00 H new ATOM 0 HA ARG A 32 5.772 2.147 -31.144 1.00 1.00 H new ATOM 0 HB2 ARG A 32 2.884 2.596 -31.817 1.00 1.00 H new ATOM 0 HB3 ARG A 32 3.920 4.007 -31.886 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.414 2.147 -33.289 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.776 1.682 -33.704 1.00 1.00 H new ATOM 0 HD2 ARG A 32 3.270 4.059 -34.309 1.00 1.00 H new ATOM 0 HD3 ARG A 32 4.923 4.498 -33.927 1.00 1.00 H new ATOM 0 HE ARG A 32 4.159 2.638 -36.172 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.556 5.102 -34.954 1.00 1.00 H new ATOM 0 HH12 ARG A 32 7.373 5.171 -36.519 1.00 1.00 H new ATOM 0 HH21 ARG A 32 5.251 2.874 -38.111 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.651 3.942 -38.253 1.00 1.00 H new ATOM 517 N ILE A 33 3.782 3.639 -28.814 1.00 1.00 N ATOM 518 CA ILE A 33 3.705 4.451 -27.550 1.00 1.00 C ATOM 519 C ILE A 33 4.186 3.504 -26.341 1.00 1.00 C ATOM 520 O ILE A 33 3.349 2.978 -25.578 1.00 1.00 O ATOM 521 CB ILE A 33 2.205 5.163 -27.414 1.00 1.00 C ATOM 522 CG1 ILE A 33 2.097 6.214 -26.256 1.00 1.00 C ATOM 523 CG2 ILE A 33 0.980 4.184 -27.334 1.00 1.00 C ATOM 524 CD1 ILE A 33 1.861 7.649 -26.714 1.00 1.00 C ATOM 0 H ILE A 33 2.874 3.252 -29.070 1.00 1.00 H new ATOM 0 HA ILE A 33 4.378 5.308 -27.541 1.00 1.00 H new ATOM 0 HB ILE A 33 2.136 5.678 -28.372 1.00 1.00 H new ATOM 0 HG12 ILE A 33 1.283 5.921 -25.593 1.00 1.00 H new ATOM 0 HG13 ILE A 33 3.014 6.181 -25.668 1.00 1.00 H new ATOM 0 HG21 ILE A 33 0.059 4.760 -27.248 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.943 3.573 -28.236 1.00 1.00 H new ATOM 0 HG23 ILE A 33 1.087 3.538 -26.463 1.00 1.00 H new ATOM 0 HD11 ILE A 33 1.800 8.303 -25.844 1.00 1.00 H new ATOM 0 HD12 ILE A 33 2.686 7.968 -27.351 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.928 7.703 -27.275 1.00 1.00 H new ATOM 536 N LEU A 34 5.573 3.292 -26.202 1.00 1.00 N ATOM 537 CA LEU A 34 6.325 2.395 -25.195 1.00 1.00 C ATOM 538 C LEU A 34 7.862 2.282 -25.538 1.00 1.00 C ATOM 539 O LEU A 34 8.293 2.708 -26.635 1.00 1.00 O ATOM 540 CB LEU A 34 5.758 0.910 -25.133 1.00 1.00 C ATOM 541 CG LEU A 34 5.306 0.465 -23.749 1.00 1.00 C ATOM 542 CD1 LEU A 34 3.805 0.262 -23.739 1.00 1.00 C ATOM 543 CD2 LEU A 34 6.026 -0.805 -23.317 1.00 1.00 C ATOM 0 H LEU A 34 6.227 3.768 -26.823 1.00 1.00 H new ATOM 0 HA LEU A 34 6.174 2.886 -24.234 1.00 1.00 H new ATOM 0 HB2 LEU A 34 4.916 0.827 -25.821 1.00 1.00 H new ATOM 0 HB3 LEU A 34 6.528 0.225 -25.488 1.00 1.00 H new ATOM 0 HG LEU A 34 5.562 1.247 -23.034 1.00 1.00 H new ATOM 0 HD11 LEU A 34 3.488 -0.056 -22.746 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.309 1.198 -23.996 1.00 1.00 H new ATOM 0 HD13 LEU A 34 3.536 -0.502 -24.468 1.00 1.00 H new ATOM 0 HD21 LEU A 34 5.683 -1.098 -22.325 1.00 1.00 H new ATOM 0 HD22 LEU A 34 5.811 -1.604 -24.026 1.00 1.00 H new ATOM 0 HD23 LEU A 34 7.100 -0.623 -23.290 1.00 1.00 H new ATOM 644 N SER A 41 4.825 -8.147 -28.704 1.00 1.00 N ATOM 645 CA SER A 41 3.847 -7.094 -28.305 1.00 1.00 C ATOM 646 C SER A 41 2.382 -7.409 -28.711 1.00 1.00 C ATOM 647 O SER A 41 1.469 -6.905 -28.038 1.00 1.00 O ATOM 648 CB SER A 41 4.265 -5.721 -28.882 1.00 1.00 C ATOM 649 OG SER A 41 4.524 -4.794 -27.839 1.00 1.00 O ATOM 0 HA SER A 41 3.868 -7.068 -27.216 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.155 -5.837 -29.501 1.00 1.00 H new ATOM 0 HB3 SER A 41 3.475 -5.337 -29.528 1.00 1.00 H new ATOM 0 HG SER A 41 5.203 -4.152 -28.133 1.00 1.00 H new ATOM 655 N LYS A 42 2.166 -8.293 -29.774 1.00 1.00 N ATOM 656 CA LYS A 42 0.822 -8.680 -30.344 1.00 1.00 C ATOM 657 C LYS A 42 -0.045 -9.628 -29.416 1.00 1.00 C ATOM 658 O LYS A 42 -1.119 -9.187 -28.975 1.00 1.00 O ATOM 659 CB LYS A 42 1.050 -9.318 -31.746 1.00 1.00 C ATOM 660 CG LYS A 42 0.735 -8.426 -32.938 1.00 1.00 C ATOM 661 CD LYS A 42 1.140 -9.114 -34.239 1.00 1.00 C ATOM 662 CE LYS A 42 0.810 -8.274 -35.465 1.00 1.00 C ATOM 663 NZ LYS A 42 1.178 -8.971 -36.734 1.00 1.00 N ATOM 0 H LYS A 42 2.939 -8.754 -30.254 1.00 1.00 H new ATOM 0 HA LYS A 42 0.229 -7.769 -30.420 1.00 1.00 H new ATOM 0 HB2 LYS A 42 2.091 -9.632 -31.816 1.00 1.00 H new ATOM 0 HB3 LYS A 42 0.440 -10.218 -31.818 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -0.330 -8.196 -32.957 1.00 1.00 H new ATOM 0 HG3 LYS A 42 1.264 -7.478 -32.841 1.00 1.00 H new ATOM 0 HD2 LYS A 42 2.210 -9.320 -34.220 1.00 1.00 H new ATOM 0 HD3 LYS A 42 0.631 -10.075 -34.312 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -0.256 -8.046 -35.472 1.00 1.00 H new ATOM 0 HE3 LYS A 42 1.339 -7.323 -35.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 0.937 -8.366 -37.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 2.199 -9.167 -36.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 0.654 -9.867 -36.803 1.00 1.00 H new ATOM 677 N LYS A 43 0.475 -10.884 -29.105 1.00 1.00 N ATOM 678 CA LYS A 43 -0.184 -11.935 -28.226 1.00 1.00 C ATOM 679 C LYS A 43 -0.153 -11.610 -26.691 1.00 1.00 C ATOM 680 O LYS A 43 -1.097 -11.970 -25.965 1.00 1.00 O ATOM 681 CB LYS A 43 0.448 -13.313 -28.486 1.00 1.00 C ATOM 682 CG LYS A 43 -0.319 -14.170 -29.487 1.00 1.00 C ATOM 683 CD LYS A 43 -0.430 -15.610 -28.999 1.00 1.00 C ATOM 684 CE LYS A 43 -1.253 -16.481 -29.942 1.00 1.00 C ATOM 685 NZ LYS A 43 -1.398 -17.876 -29.428 1.00 1.00 N ATOM 0 H LYS A 43 1.377 -11.193 -29.466 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.237 -11.938 -28.507 1.00 1.00 H new ATOM 0 HB2 LYS A 43 1.466 -13.171 -28.850 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.519 -13.852 -27.541 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -1.316 -13.755 -29.638 1.00 1.00 H new ATOM 0 HG3 LYS A 43 0.186 -14.147 -30.453 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.569 -16.034 -28.896 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.885 -15.621 -28.008 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -2.240 -16.039 -30.076 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.778 -16.503 -30.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.964 -18.436 -30.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.457 -18.307 -29.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -1.874 -17.858 -28.504 1.00 1.00 H new ATOM 699 N VAL A 44 0.968 -10.920 -26.257 1.00 1.00 N ATOM 700 CA VAL A 44 1.243 -10.461 -24.808 1.00 1.00 C ATOM 701 C VAL A 44 0.155 -9.377 -24.348 1.00 1.00 C ATOM 702 O VAL A 44 -0.369 -9.487 -23.229 1.00 1.00 O ATOM 703 CB VAL A 44 2.757 -9.911 -24.571 1.00 1.00 C ATOM 704 CG1 VAL A 44 3.202 -9.944 -23.087 1.00 1.00 C ATOM 705 CG2 VAL A 44 3.837 -10.671 -25.371 1.00 1.00 C ATOM 0 H VAL A 44 1.719 -10.659 -26.896 1.00 1.00 H new ATOM 0 HA VAL A 44 1.152 -11.349 -24.182 1.00 1.00 H new ATOM 0 HB VAL A 44 2.688 -8.883 -24.926 1.00 1.00 H new ATOM 0 HG11 VAL A 44 4.220 -9.564 -23.004 1.00 1.00 H new ATOM 0 HG12 VAL A 44 2.533 -9.322 -22.493 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.167 -10.969 -22.719 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.817 -10.243 -25.157 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.830 -11.723 -25.084 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.628 -10.584 -26.437 1.00 1.00 H new ATOM 715 N ILE A 45 -0.167 -8.411 -25.304 1.00 1.00 N ATOM 716 CA ILE A 45 -1.200 -7.319 -25.100 1.00 1.00 C ATOM 717 C ILE A 45 -2.705 -7.897 -25.059 1.00 1.00 C ATOM 718 O ILE A 45 -3.522 -7.414 -24.262 1.00 1.00 O ATOM 719 CB ILE A 45 -0.932 -6.085 -26.120 1.00 1.00 C ATOM 720 CG1 ILE A 45 -1.337 -4.709 -25.511 1.00 1.00 C ATOM 721 CG2 ILE A 45 -1.553 -6.223 -27.537 1.00 1.00 C ATOM 722 CD1 ILE A 45 -0.168 -3.767 -25.236 1.00 1.00 C ATOM 0 H ILE A 45 0.279 -8.375 -26.220 1.00 1.00 H new ATOM 0 HA ILE A 45 -1.082 -6.890 -24.105 1.00 1.00 H new ATOM 0 HB ILE A 45 0.148 -6.129 -26.260 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -2.032 -4.216 -26.191 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -1.873 -4.883 -24.578 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -1.309 -5.341 -28.129 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -1.151 -7.111 -28.026 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -2.636 -6.314 -27.452 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -0.543 -2.835 -24.814 1.00 1.00 H new ATOM 0 HD12 ILE A 45 0.518 -4.235 -24.530 1.00 1.00 H new ATOM 0 HD13 ILE A 45 0.357 -3.557 -26.168 1.00 1.00 H new ATOM 734 N LEU A 46 -3.011 -8.922 -25.961 1.00 1.00 N ATOM 735 CA LEU A 46 -4.324 -9.671 -26.093 1.00 1.00 C ATOM 736 C LEU A 46 -4.708 -10.475 -24.796 1.00 1.00 C ATOM 737 O LEU A 46 -5.898 -10.514 -24.439 1.00 1.00 O ATOM 738 CB LEU A 46 -4.276 -10.625 -27.342 1.00 1.00 C ATOM 739 CG LEU A 46 -4.332 -9.992 -28.776 1.00 1.00 C ATOM 740 CD1 LEU A 46 -3.675 -10.929 -29.784 1.00 1.00 C ATOM 741 CD2 LEU A 46 -5.766 -9.715 -29.247 1.00 1.00 C ATOM 0 H LEU A 46 -2.320 -9.253 -26.634 1.00 1.00 H new ATOM 0 HA LEU A 46 -5.105 -8.923 -26.233 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -3.359 -11.211 -27.275 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -5.108 -11.324 -27.256 1.00 1.00 H new ATOM 0 HG LEU A 46 -3.801 -9.042 -28.715 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -3.718 -10.483 -30.777 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.634 -11.092 -29.504 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -4.203 -11.883 -29.792 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -5.743 -9.277 -30.245 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -6.327 -10.649 -29.273 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -6.248 -9.021 -28.558 1.00 1.00 H new ATOM 753 N GLU A 47 -3.655 -11.122 -24.136 1.00 1.00 N ATOM 754 CA GLU A 47 -3.765 -11.841 -22.798 1.00 1.00 C ATOM 755 C GLU A 47 -3.905 -10.826 -21.606 1.00 1.00 C ATOM 756 O GLU A 47 -4.516 -11.163 -20.574 1.00 1.00 O ATOM 757 CB GLU A 47 -2.597 -12.804 -22.566 1.00 1.00 C ATOM 758 CG GLU A 47 -2.879 -14.215 -23.078 1.00 1.00 C ATOM 759 CD GLU A 47 -1.820 -15.216 -22.659 1.00 1.00 C ATOM 760 OE1 GLU A 47 -0.815 -15.360 -23.386 1.00 1.00 O ATOM 761 OE2 GLU A 47 -1.996 -15.858 -21.601 1.00 1.00 O ATOM 0 H GLU A 47 -2.712 -11.154 -24.523 1.00 1.00 H new ATOM 0 HA GLU A 47 -4.676 -12.438 -22.836 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -1.708 -12.414 -23.061 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -2.375 -12.848 -21.500 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -3.850 -14.544 -22.707 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -2.943 -14.195 -24.166 1.00 1.00 H new ATOM 768 N ASP A 48 -3.279 -9.582 -21.800 1.00 1.00 N ATOM 769 CA ASP A 48 -3.416 -8.370 -20.891 1.00 1.00 C ATOM 770 C ASP A 48 -4.884 -7.801 -20.919 1.00 1.00 C ATOM 771 O ASP A 48 -5.403 -7.383 -19.876 1.00 1.00 O ATOM 772 CB ASP A 48 -2.407 -7.260 -21.265 1.00 1.00 C ATOM 773 CG ASP A 48 -1.065 -7.372 -20.550 1.00 1.00 C ATOM 774 OD1 ASP A 48 -1.010 -7.111 -19.328 1.00 1.00 O ATOM 775 OD2 ASP A 48 -0.063 -7.683 -21.219 1.00 1.00 O ATOM 0 H ASP A 48 -2.667 -9.405 -22.597 1.00 1.00 H new ATOM 0 HA ASP A 48 -3.192 -8.704 -19.878 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.236 -7.287 -22.341 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -2.849 -6.290 -21.036 1.00 1.00 H new ATOM 780 N LEU A 49 -5.536 -7.913 -22.162 1.00 1.00 N ATOM 781 CA LEU A 49 -6.974 -7.540 -22.448 1.00 1.00 C ATOM 782 C LEU A 49 -8.010 -8.450 -21.733 1.00 1.00 C ATOM 783 O LEU A 49 -9.082 -7.963 -21.347 1.00 1.00 O ATOM 784 CB LEU A 49 -7.255 -7.490 -23.977 1.00 1.00 C ATOM 785 CG LEU A 49 -6.784 -6.214 -24.727 1.00 1.00 C ATOM 786 CD1 LEU A 49 -6.418 -6.561 -26.158 1.00 1.00 C ATOM 787 CD2 LEU A 49 -7.844 -5.101 -24.736 1.00 1.00 C ATOM 0 H LEU A 49 -5.057 -8.270 -22.988 1.00 1.00 H new ATOM 0 HA LEU A 49 -7.102 -6.541 -22.031 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -6.778 -8.354 -24.440 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -8.329 -7.599 -24.130 1.00 1.00 H new ATOM 0 HG LEU A 49 -5.915 -5.837 -24.188 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -6.089 -5.661 -26.678 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -5.613 -7.296 -26.160 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -7.289 -6.975 -26.666 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -7.458 -4.235 -25.274 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -8.746 -5.462 -25.229 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -8.080 -4.815 -23.711 1.00 1.00 H new ATOM 799 N LYS A 50 -7.650 -9.790 -21.591 1.00 1.00 N ATOM 800 CA LYS A 50 -8.441 -10.872 -20.868 1.00 1.00 C ATOM 801 C LYS A 50 -8.586 -10.583 -19.334 1.00 1.00 C ATOM 802 O LYS A 50 -9.633 -10.891 -18.746 1.00 1.00 O ATOM 803 CB LYS A 50 -7.809 -12.279 -21.079 1.00 1.00 C ATOM 804 CG LYS A 50 -7.980 -12.895 -22.475 1.00 1.00 C ATOM 805 CD LYS A 50 -7.257 -14.231 -22.568 1.00 1.00 C ATOM 806 CE LYS A 50 -7.352 -14.841 -23.957 1.00 1.00 C ATOM 807 NZ LYS A 50 -6.713 -16.186 -24.015 1.00 1.00 N ATOM 0 H LYS A 50 -6.782 -10.151 -21.986 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.438 -10.861 -21.309 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -6.743 -12.212 -20.862 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -8.241 -12.962 -20.348 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.040 -13.034 -22.689 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -7.590 -12.212 -23.229 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -6.208 -14.094 -22.305 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -7.681 -14.923 -21.840 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -8.399 -14.923 -24.247 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -6.873 -14.179 -24.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -6.798 -16.570 -24.978 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -5.707 -16.104 -23.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -7.187 -16.825 -23.345 1.00 1.00 H new ATOM 821 N VAL A 51 -7.475 -10.000 -18.722 1.00 1.00 N ATOM 822 CA VAL A 51 -7.364 -9.540 -17.283 1.00 1.00 C ATOM 823 C VAL A 51 -8.072 -8.176 -17.053 1.00 1.00 C ATOM 824 O VAL A 51 -8.844 -8.074 -16.093 1.00 1.00 O ATOM 825 CB VAL A 51 -5.892 -9.456 -16.663 1.00 1.00 C ATOM 826 CG1 VAL A 51 -5.751 -10.468 -15.536 1.00 1.00 C ATOM 827 CG2 VAL A 51 -4.709 -9.638 -17.643 1.00 1.00 C ATOM 0 H VAL A 51 -6.612 -9.837 -19.240 1.00 1.00 H new ATOM 0 HA VAL A 51 -7.868 -10.346 -16.750 1.00 1.00 H new ATOM 0 HB VAL A 51 -5.814 -8.425 -16.317 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -4.747 -10.408 -15.116 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -6.483 -10.251 -14.758 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -5.922 -11.472 -15.925 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.769 -9.559 -17.097 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -4.774 -10.619 -18.114 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -4.749 -8.864 -18.410 1.00 1.00 H new ATOM 837 N ILE A 52 -7.858 -7.159 -18.009 1.00 1.00 N ATOM 838 CA ILE A 52 -8.496 -5.759 -17.985 1.00 1.00 C ATOM 839 C ILE A 52 -10.070 -5.849 -18.189 1.00 1.00 C ATOM 840 O ILE A 52 -10.783 -5.097 -17.521 1.00 1.00 O ATOM 841 CB ILE A 52 -7.743 -4.683 -18.978 1.00 1.00 C ATOM 842 CG1 ILE A 52 -6.315 -4.338 -18.414 1.00 1.00 C ATOM 843 CG2 ILE A 52 -8.514 -3.312 -19.198 1.00 1.00 C ATOM 844 CD1 ILE A 52 -5.169 -4.257 -19.443 1.00 1.00 C ATOM 0 H ILE A 52 -7.241 -7.293 -18.810 1.00 1.00 H new ATOM 0 HA ILE A 52 -8.339 -5.342 -16.990 1.00 1.00 H new ATOM 0 HB ILE A 52 -7.702 -5.186 -19.944 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -6.375 -3.381 -17.895 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -6.052 -5.089 -17.669 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -7.937 -2.673 -19.866 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.491 -3.511 -19.640 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -8.645 -2.810 -18.239 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -4.238 -4.013 -18.932 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -5.065 -5.217 -19.948 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -5.393 -3.483 -20.177 1.00 1.00 H new ATOM 856 N SER A 53 -10.552 -6.739 -19.155 1.00 1.00 N ATOM 857 CA SER A 53 -12.035 -6.989 -19.446 1.00 1.00 C ATOM 858 C SER A 53 -12.880 -7.460 -18.205 1.00 1.00 C ATOM 859 O SER A 53 -14.063 -7.109 -18.107 1.00 1.00 O ATOM 860 CB SER A 53 -12.217 -7.977 -20.624 1.00 1.00 C ATOM 861 OG SER A 53 -11.532 -9.210 -20.424 1.00 1.00 O ATOM 0 H SER A 53 -9.932 -7.294 -19.744 1.00 1.00 H new ATOM 0 HA SER A 53 -12.431 -6.011 -19.721 1.00 1.00 H new ATOM 0 HB2 SER A 53 -13.280 -8.176 -20.764 1.00 1.00 H new ATOM 0 HB3 SER A 53 -11.856 -7.511 -21.541 1.00 1.00 H new ATOM 0 HG SER A 53 -10.590 -9.105 -20.672 1.00 1.00 H new ATOM 867 N LYS A 54 -12.199 -8.243 -17.275 1.00 1.00 N ATOM 868 CA LYS A 54 -12.777 -8.760 -15.978 1.00 1.00 C ATOM 869 C LYS A 54 -12.922 -7.656 -14.872 1.00 1.00 C ATOM 870 O LYS A 54 -13.902 -7.696 -14.109 1.00 1.00 O ATOM 871 CB LYS A 54 -11.944 -9.936 -15.456 1.00 1.00 C ATOM 872 CG LYS A 54 -12.480 -11.306 -15.857 1.00 1.00 C ATOM 873 CD LYS A 54 -11.545 -12.411 -15.371 1.00 1.00 C ATOM 874 CE LYS A 54 -12.054 -13.806 -15.714 1.00 1.00 C ATOM 875 NZ LYS A 54 -11.144 -14.872 -15.193 1.00 1.00 N ATOM 0 H LYS A 54 -11.230 -8.529 -17.415 1.00 1.00 H new ATOM 0 HA LYS A 54 -13.788 -9.098 -16.205 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -10.923 -9.835 -15.824 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -11.898 -9.880 -14.368 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -13.474 -11.451 -15.435 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -12.583 -11.359 -16.941 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -10.560 -12.269 -15.815 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -11.423 -12.329 -14.291 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -13.051 -13.942 -15.295 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -12.147 -13.904 -16.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -11.524 -15.807 -15.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -10.199 -14.757 -15.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -11.076 -14.795 -14.158 1.00 1.00 H new ATOM 889 N ILE A 55 -11.918 -6.683 -14.829 1.00 1.00 N ATOM 890 CA ILE A 55 -11.901 -5.491 -13.872 1.00 1.00 C ATOM 891 C ILE A 55 -12.859 -4.344 -14.433 1.00 1.00 C ATOM 892 O ILE A 55 -13.558 -3.709 -13.632 1.00 1.00 O ATOM 893 CB ILE A 55 -10.411 -4.919 -13.500 1.00 1.00 C ATOM 894 CG1 ILE A 55 -9.369 -6.048 -13.167 1.00 1.00 C ATOM 895 CG2 ILE A 55 -10.438 -3.956 -12.260 1.00 1.00 C ATOM 896 CD1 ILE A 55 -8.030 -5.947 -13.911 1.00 1.00 C ATOM 0 H ILE A 55 -11.109 -6.705 -15.450 1.00 1.00 H new ATOM 0 HA ILE A 55 -12.280 -5.857 -12.918 1.00 1.00 H new ATOM 0 HB ILE A 55 -10.104 -4.390 -14.402 1.00 1.00 H new ATOM 0 HG12 ILE A 55 -9.172 -6.033 -12.095 1.00 1.00 H new ATOM 0 HG13 ILE A 55 -9.820 -7.014 -13.394 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -9.428 -3.603 -12.052 1.00 1.00 H new ATOM 0 HG22 ILE A 55 -11.083 -3.104 -12.475 1.00 1.00 H new ATOM 0 HG23 ILE A 55 -10.821 -4.492 -11.392 1.00 1.00 H new ATOM 0 HD11 ILE A 55 -7.384 -6.772 -13.610 1.00 1.00 H new ATOM 0 HD12 ILE A 55 -8.206 -5.997 -14.986 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -7.548 -5.001 -13.666 1.00 1.00 H new ATOM 908 N ALA A 56 -12.855 -4.131 -15.830 1.00 1.00 N ATOM 909 CA ALA A 56 -13.692 -3.119 -16.591 1.00 1.00 C ATOM 910 C ALA A 56 -15.245 -3.305 -16.515 1.00 1.00 C ATOM 911 O ALA A 56 -15.965 -2.301 -16.562 1.00 1.00 O ATOM 912 CB ALA A 56 -13.244 -3.088 -18.053 1.00 1.00 C ATOM 0 H ALA A 56 -12.255 -4.676 -16.449 1.00 1.00 H new ATOM 0 HA ALA A 56 -13.509 -2.170 -16.087 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -13.844 -2.362 -18.602 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -12.193 -2.804 -18.106 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -13.376 -4.076 -18.495 1.00 1.00 H new ATOM 918 N LYS A 57 -15.719 -4.607 -16.369 1.00 1.00 N ATOM 919 CA LYS A 57 -17.190 -4.992 -16.265 1.00 1.00 C ATOM 920 C LYS A 57 -17.682 -4.860 -14.752 1.00 1.00 C ATOM 921 O LYS A 57 -18.843 -4.496 -14.488 1.00 1.00 O ATOM 922 CB LYS A 57 -17.386 -6.410 -16.845 1.00 1.00 C ATOM 923 CG LYS A 57 -17.942 -6.428 -18.271 1.00 1.00 C ATOM 924 CD LYS A 57 -17.048 -7.235 -19.209 1.00 1.00 C ATOM 925 CE LYS A 57 -17.838 -8.156 -20.129 1.00 1.00 C ATOM 926 NZ LYS A 57 -17.786 -7.714 -21.556 1.00 1.00 N ATOM 0 H LYS A 57 -15.094 -5.412 -16.321 1.00 1.00 H new ATOM 0 HA LYS A 57 -17.808 -4.313 -16.852 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.429 -6.932 -16.832 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.061 -6.967 -16.196 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.945 -6.854 -18.266 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.031 -5.407 -18.641 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -16.451 -6.551 -19.812 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -16.352 -7.830 -18.618 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -17.444 -9.169 -20.050 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.876 -8.191 -19.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -18.338 -8.371 -22.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.186 -6.757 -21.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -16.798 -7.705 -21.881 1.00 1.00 H new ATOM 940 N ARG A 58 -16.701 -5.177 -13.839 1.00 1.00 N ATOM 941 CA ARG A 58 -16.793 -4.994 -12.318 1.00 1.00 C ATOM 942 C ARG A 58 -16.801 -3.465 -11.890 1.00 1.00 C ATOM 943 O ARG A 58 -17.391 -3.100 -10.856 1.00 1.00 O ATOM 944 CB ARG A 58 -15.651 -5.721 -11.592 1.00 1.00 C ATOM 945 CG ARG A 58 -16.071 -7.003 -10.888 1.00 1.00 C ATOM 946 CD ARG A 58 -14.998 -7.452 -9.905 1.00 1.00 C ATOM 947 NE ARG A 58 -15.307 -8.771 -9.266 1.00 1.00 N ATOM 948 CZ ARG A 58 -14.808 -9.269 -8.077 1.00 1.00 C ATOM 949 NH1 ARG A 58 -14.058 -8.550 -7.213 1.00 1.00 N ATOM 950 NH2 ARG A 58 -15.107 -10.518 -7.738 1.00 1.00 N ATOM 0 H ARG A 58 -15.807 -5.573 -14.129 1.00 1.00 H new ATOM 0 HA ARG A 58 -17.744 -5.436 -12.021 1.00 1.00 H new ATOM 0 HB2 ARG A 58 -14.869 -5.956 -12.314 1.00 1.00 H new ATOM 0 HB3 ARG A 58 -15.214 -5.044 -10.858 1.00 1.00 H new ATOM 0 HG2 ARG A 58 -17.011 -6.843 -10.360 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -16.248 -7.787 -11.624 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -14.042 -7.521 -10.425 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -14.885 -6.696 -9.128 1.00 1.00 H new ATOM 0 HE ARG A 58 -15.962 -9.372 -9.767 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -13.829 -7.578 -7.423 1.00 1.00 H new ATOM 0 HH12 ARG A 58 -13.721 -8.979 -6.351 1.00 1.00 H new ATOM 0 HH21 ARG A 58 -15.693 -11.086 -8.350 1.00 1.00 H new ATOM 0 HH22 ARG A 58 -14.751 -10.909 -6.866 1.00 1.00 H new ATOM 964 N GLU A 59 -16.110 -2.652 -12.752 1.00 1.00 N ATOM 965 CA GLU A 59 -16.014 -1.152 -12.671 1.00 1.00 C ATOM 966 C GLU A 59 -17.233 -0.425 -13.392 1.00 1.00 C ATOM 967 O GLU A 59 -17.299 0.834 -13.446 1.00 1.00 O ATOM 968 CB GLU A 59 -14.673 -0.722 -13.301 1.00 1.00 C ATOM 969 CG GLU A 59 -13.623 -0.235 -12.310 1.00 1.00 C ATOM 970 CD GLU A 59 -12.393 0.325 -13.009 1.00 1.00 C ATOM 971 OE1 GLU A 59 -11.472 -0.461 -13.320 1.00 1.00 O ATOM 972 OE2 GLU A 59 -12.353 1.551 -13.247 1.00 1.00 O ATOM 0 H GLU A 59 -15.590 -3.031 -13.544 1.00 1.00 H new ATOM 0 HA GLU A 59 -16.059 -0.853 -11.624 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.263 -1.565 -13.857 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -14.866 0.072 -14.023 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.057 0.533 -11.671 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.327 -1.060 -11.661 1.00 1.00 H new ATOM 979 N GLY A 60 -18.229 -1.279 -13.873 1.00 1.00 N ATOM 980 CA GLY A 60 -19.477 -0.847 -14.595 1.00 1.00 C ATOM 981 C GLY A 60 -19.271 -0.117 -15.943 1.00 1.00 C ATOM 982 O GLY A 60 -20.065 0.790 -16.254 1.00 1.00 O ATOM 0 H GLY A 60 -18.172 -2.291 -13.761 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -20.091 -1.729 -14.774 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -20.045 -0.192 -13.934 1.00 1.00 H new ATOM 986 N MET A 61 -18.218 -0.539 -16.718 1.00 1.00 N ATOM 987 CA MET A 61 -17.780 0.042 -18.010 1.00 1.00 C ATOM 988 C MET A 61 -17.853 -1.030 -19.112 1.00 1.00 C ATOM 989 O MET A 61 -17.524 -2.222 -18.869 1.00 1.00 O ATOM 990 CB MET A 61 -16.334 0.596 -17.896 1.00 1.00 C ATOM 991 CG MET A 61 -16.234 1.997 -17.302 1.00 1.00 C ATOM 992 SD MET A 61 -14.529 2.529 -17.087 1.00 1.00 S ATOM 993 CE MET A 61 -14.725 3.700 -15.750 1.00 1.00 C ATOM 0 H MET A 61 -17.635 -1.327 -16.437 1.00 1.00 H new ATOM 0 HA MET A 61 -18.444 0.867 -18.268 1.00 1.00 H new ATOM 0 HB2 MET A 61 -15.745 -0.087 -17.283 1.00 1.00 H new ATOM 0 HB3 MET A 61 -15.883 0.604 -18.888 1.00 1.00 H new ATOM 0 HG2 MET A 61 -16.753 2.702 -17.951 1.00 1.00 H new ATOM 0 HG3 MET A 61 -16.743 2.017 -16.338 1.00 1.00 H new ATOM 0 HE1 MET A 61 -13.976 4.486 -15.842 1.00 1.00 H new ATOM 0 HE2 MET A 61 -15.721 4.141 -15.795 1.00 1.00 H new ATOM 0 HE3 MET A 61 -14.598 3.188 -14.796 1.00 1.00 H new ATOM 1003 N VAL A 62 -18.249 -0.571 -20.326 1.00 1.00 N ATOM 1004 CA VAL A 62 -18.429 -1.430 -21.527 1.00 1.00 C ATOM 1005 C VAL A 62 -17.368 -1.143 -22.591 1.00 1.00 C ATOM 1006 O VAL A 62 -17.207 0.021 -23.021 1.00 1.00 O ATOM 1007 CB VAL A 62 -19.892 -1.399 -22.185 1.00 1.00 C ATOM 1008 CG1 VAL A 62 -20.736 -2.514 -21.590 1.00 1.00 C ATOM 1009 CG2 VAL A 62 -20.678 -0.052 -22.087 1.00 1.00 C ATOM 0 H VAL A 62 -18.454 0.413 -20.502 1.00 1.00 H new ATOM 0 HA VAL A 62 -18.304 -2.442 -21.142 1.00 1.00 H new ATOM 0 HB VAL A 62 -19.711 -1.533 -23.251 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -21.731 -2.495 -22.036 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -20.265 -3.476 -21.795 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -20.818 -2.372 -20.512 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -21.650 -0.162 -22.568 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -20.820 0.211 -21.039 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -20.113 0.736 -22.585 1.00 1.00 H new ATOM 1019 N LEU A 63 -16.650 -2.249 -22.984 1.00 1.00 N ATOM 1020 CA LEU A 63 -15.608 -2.249 -24.035 1.00 1.00 C ATOM 1021 C LEU A 63 -16.193 -2.807 -25.336 1.00 1.00 C ATOM 1022 O LEU A 63 -16.759 -3.934 -25.361 1.00 1.00 O ATOM 1023 CB LEU A 63 -14.336 -3.030 -23.610 1.00 1.00 C ATOM 1024 CG LEU A 63 -13.170 -2.173 -23.104 1.00 1.00 C ATOM 1025 CD1 LEU A 63 -12.753 -2.594 -21.703 1.00 1.00 C ATOM 1026 CD2 LEU A 63 -11.986 -2.273 -24.062 1.00 1.00 C ATOM 0 H LEU A 63 -16.792 -3.168 -22.566 1.00 1.00 H new ATOM 0 HA LEU A 63 -15.292 -1.218 -24.195 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -14.610 -3.737 -22.827 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -13.990 -3.616 -24.461 1.00 1.00 H new ATOM 0 HG LEU A 63 -13.503 -1.136 -23.062 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -11.924 -1.971 -21.367 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -13.595 -2.475 -21.022 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -12.440 -3.638 -21.715 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -11.165 -1.660 -23.691 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -11.661 -3.311 -24.132 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -12.285 -1.920 -25.049 1.00 1.00 H new ATOM 1038 N LEU A 64 -16.087 -1.950 -26.387 1.00 1.00 N ATOM 1039 CA LEU A 64 -16.567 -2.245 -27.743 1.00 1.00 C ATOM 1040 C LEU A 64 -15.382 -2.466 -28.671 1.00 1.00 C ATOM 1041 O LEU A 64 -14.450 -1.623 -28.758 1.00 1.00 O ATOM 1042 CB LEU A 64 -17.522 -1.153 -28.263 1.00 1.00 C ATOM 1043 CG LEU A 64 -18.991 -1.345 -27.872 1.00 1.00 C ATOM 1044 CD1 LEU A 64 -19.498 -0.145 -27.092 1.00 1.00 C ATOM 1045 CD2 LEU A 64 -19.851 -1.579 -29.108 1.00 1.00 C ATOM 0 H LEU A 64 -15.659 -1.028 -26.304 1.00 1.00 H new ATOM 0 HA LEU A 64 -17.152 -3.164 -27.714 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -17.184 -0.187 -27.889 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -17.452 -1.116 -29.350 1.00 1.00 H new ATOM 0 HG LEU A 64 -19.061 -2.226 -27.233 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -20.543 -0.301 -26.824 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -18.905 -0.023 -26.186 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -19.411 0.751 -27.706 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -20.890 -1.713 -28.808 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -19.773 -0.719 -29.773 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -19.505 -2.473 -29.628 1.00 1.00 H new ATOM 1057 N ILE A 65 -15.438 -3.653 -29.314 1.00 1.00 N ATOM 1058 CA ILE A 65 -14.405 -4.163 -30.260 1.00 1.00 C ATOM 1059 C ILE A 65 -14.982 -4.019 -31.696 1.00 1.00 C ATOM 1060 O ILE A 65 -16.095 -4.517 -31.975 1.00 1.00 O ATOM 1061 CB ILE A 65 -13.921 -5.687 -29.968 1.00 1.00 C ATOM 1062 CG1 ILE A 65 -13.883 -6.078 -28.455 1.00 1.00 C ATOM 1063 CG2 ILE A 65 -12.487 -5.931 -30.503 1.00 1.00 C ATOM 1064 CD1 ILE A 65 -14.881 -7.152 -28.051 1.00 1.00 C ATOM 0 H ILE A 65 -16.216 -4.301 -29.192 1.00 1.00 H new ATOM 0 HA ILE A 65 -13.500 -3.569 -30.131 1.00 1.00 H new ATOM 0 HB ILE A 65 -14.669 -6.295 -30.476 1.00 1.00 H new ATOM 0 HG12 ILE A 65 -12.879 -6.423 -28.208 1.00 1.00 H new ATOM 0 HG13 ILE A 65 -14.069 -5.185 -27.858 1.00 1.00 H new ATOM 0 HG21 ILE A 65 -12.190 -6.959 -30.293 1.00 1.00 H new ATOM 0 HG22 ILE A 65 -12.466 -5.760 -31.579 1.00 1.00 H new ATOM 0 HG23 ILE A 65 -11.795 -5.246 -30.013 1.00 1.00 H new ATOM 0 HD11 ILE A 65 -14.782 -7.358 -26.985 1.00 1.00 H new ATOM 0 HD12 ILE A 65 -15.893 -6.806 -28.261 1.00 1.00 H new ATOM 0 HD13 ILE A 65 -14.684 -8.063 -28.616 1.00 1.00 H new ATOM 1076 N LYS A 66 -14.166 -3.348 -32.577 1.00 1.00 N ATOM 1077 CA LYS A 66 -14.499 -3.078 -34.011 1.00 1.00 C ATOM 1078 C LYS A 66 -14.274 -4.373 -34.893 1.00 1.00 C ATOM 1079 O LYS A 66 -13.183 -4.979 -34.747 1.00 1.00 O ATOM 1080 CB LYS A 66 -13.702 -1.876 -34.544 1.00 1.00 C ATOM 1081 CG LYS A 66 -14.594 -0.699 -34.889 1.00 1.00 C ATOM 1082 CD LYS A 66 -14.121 0.027 -36.133 1.00 1.00 C ATOM 1083 CE LYS A 66 -14.257 1.528 -35.962 1.00 1.00 C ATOM 1084 NZ LYS A 66 -13.441 2.286 -36.948 1.00 1.00 N ATOM 0 H LYS A 66 -13.255 -2.980 -32.304 1.00 1.00 H new ATOM 0 HA LYS A 66 -15.556 -2.819 -34.076 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -12.971 -1.568 -33.797 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -13.144 -2.178 -35.430 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -15.615 -1.050 -35.040 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -14.617 -0.003 -34.050 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -13.081 -0.228 -36.336 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -14.703 -0.300 -36.995 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -15.305 1.810 -36.068 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -13.953 1.805 -34.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -13.567 3.306 -36.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -12.438 2.039 -36.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -13.747 2.043 -37.912 1.00 1.00 H new ATOM 1098 N PRO A 67 -15.284 -4.859 -35.818 1.00 1.00 N ATOM 1099 CA PRO A 67 -15.138 -6.147 -36.593 1.00 1.00 C ATOM 1100 C PRO A 67 -13.990 -6.202 -37.630 1.00 1.00 C ATOM 1101 O PRO A 67 -13.859 -5.314 -38.510 1.00 1.00 O ATOM 1102 CB PRO A 67 -16.521 -6.350 -37.267 1.00 1.00 C ATOM 1103 CG PRO A 67 -17.443 -5.429 -36.551 1.00 1.00 C ATOM 1104 CD PRO A 67 -16.611 -4.236 -36.201 1.00 1.00 C ATOM 0 HA PRO A 67 -14.852 -6.944 -35.907 1.00 1.00 H new ATOM 0 HB2 PRO A 67 -16.479 -6.116 -38.331 1.00 1.00 H new ATOM 0 HB3 PRO A 67 -16.853 -7.385 -37.181 1.00 1.00 H new ATOM 0 HG2 PRO A 67 -18.288 -5.149 -37.181 1.00 1.00 H new ATOM 0 HG3 PRO A 67 -17.854 -5.899 -35.657 1.00 1.00 H new ATOM 0 HD2 PRO A 67 -16.509 -3.552 -37.043 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -17.044 -3.667 -35.378 1.00 1.00 H new ATOM 1112 N ALA A 68 -13.116 -7.256 -37.413 1.00 1.00 N ATOM 1113 CA ALA A 68 -11.939 -7.586 -38.309 1.00 1.00 C ATOM 1114 C ALA A 68 -12.446 -7.953 -39.733 1.00 1.00 C ATOM 1115 O ALA A 68 -13.452 -8.687 -39.848 1.00 1.00 O ATOM 1116 CB ALA A 68 -11.104 -8.712 -37.698 1.00 1.00 C ATOM 0 H ALA A 68 -13.208 -7.892 -36.621 1.00 1.00 H new ATOM 0 HA ALA A 68 -11.294 -6.712 -38.396 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -10.263 -8.938 -38.353 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.731 -8.400 -36.722 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -11.723 -9.602 -37.582 1.00 1.00 H new ATOM 1122 N GLN A 69 -11.736 -7.475 -40.805 1.00 1.00 N ATOM 1123 CA GLN A 69 -12.197 -7.610 -42.219 1.00 1.00 C ATOM 1124 C GLN A 69 -11.077 -7.982 -43.185 1.00 1.00 C ATOM 1125 O GLN A 69 -9.913 -7.565 -43.005 1.00 1.00 O ATOM 1126 CB GLN A 69 -12.838 -6.248 -42.692 1.00 1.00 C ATOM 1127 CG GLN A 69 -14.271 -6.358 -43.219 1.00 1.00 C ATOM 1128 CD GLN A 69 -14.891 -5.003 -43.542 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -15.391 -4.304 -42.657 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -14.860 -4.623 -44.819 1.00 1.00 N ATOM 0 H GLN A 69 -10.842 -6.993 -40.711 1.00 1.00 H new ATOM 0 HA GLN A 69 -12.925 -8.421 -42.235 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -12.827 -5.548 -41.856 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -12.211 -5.820 -43.474 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -14.276 -6.977 -44.116 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -14.887 -6.866 -42.477 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -14.437 -5.230 -45.522 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -15.259 -3.725 -45.094 1.00 1.00 H new ATOM 1139 N CYS A 70 -11.488 -8.776 -44.241 1.00 1.00 N ATOM 1140 CA CYS A 70 -10.633 -9.185 -45.380 1.00 1.00 C ATOM 1141 C CYS A 70 -10.806 -8.114 -46.490 1.00 1.00 C ATOM 1142 O CYS A 70 -11.937 -7.883 -46.991 1.00 1.00 O ATOM 1143 CB CYS A 70 -10.973 -10.621 -45.851 1.00 1.00 C ATOM 1144 SG CYS A 70 -10.892 -11.878 -44.550 1.00 1.00 S ATOM 0 H CYS A 70 -12.437 -9.144 -44.307 1.00 1.00 H new ATOM 0 HA CYS A 70 -9.583 -9.230 -45.090 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -11.976 -10.622 -46.277 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -10.287 -10.899 -46.651 1.00 1.00 H new ATOM 0 HG CYS A 70 -12.077 -12.373 -44.351 1.00 1.00 H new ATOM 1150 N ARG A 71 -9.659 -7.442 -46.805 1.00 1.00 N ATOM 1151 CA ARG A 71 -9.543 -6.289 -47.757 1.00 1.00 C ATOM 1152 C ARG A 71 -9.298 -6.690 -49.256 1.00 1.00 C ATOM 1153 O ARG A 71 -9.456 -5.825 -50.154 1.00 1.00 O ATOM 1154 CB ARG A 71 -8.400 -5.358 -47.254 1.00 1.00 C ATOM 1155 CG ARG A 71 -8.828 -4.278 -46.247 1.00 1.00 C ATOM 1156 CD ARG A 71 -7.639 -3.439 -45.779 1.00 1.00 C ATOM 1157 NE ARG A 71 -8.059 -2.218 -45.022 1.00 1.00 N ATOM 1158 CZ ARG A 71 -7.275 -1.141 -44.647 1.00 1.00 C ATOM 1159 NH1 ARG A 71 -5.929 -1.102 -44.768 1.00 1.00 N ATOM 1160 NH2 ARG A 71 -7.872 -0.084 -44.104 1.00 1.00 N ATOM 0 H ARG A 71 -8.761 -7.694 -46.392 1.00 1.00 H new ATOM 0 HA ARG A 71 -10.508 -5.782 -47.761 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -7.627 -5.974 -46.794 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -7.946 -4.869 -48.116 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -9.574 -3.628 -46.705 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -9.302 -4.750 -45.386 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -6.994 -4.050 -45.147 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.047 -3.140 -46.644 1.00 1.00 H new ATOM 0 HE ARG A 71 -9.041 -2.174 -44.750 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -5.429 -1.901 -45.157 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -5.414 -0.273 -44.470 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -8.884 -0.081 -43.973 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -7.318 0.724 -43.818 1.00 1.00 H new ATOM 1174 N LYS A 72 -8.987 -8.011 -49.504 1.00 1.00 N ATOM 1175 CA LYS A 72 -8.691 -8.595 -50.848 1.00 1.00 C ATOM 1176 C LYS A 72 -9.944 -9.204 -51.550 1.00 1.00 C ATOM 1177 O LYS A 72 -10.126 -8.965 -52.761 1.00 1.00 O ATOM 1178 CB LYS A 72 -7.570 -9.636 -50.708 1.00 1.00 C ATOM 1179 CG LYS A 72 -6.251 -9.194 -51.293 1.00 1.00 C ATOM 1180 CD LYS A 72 -5.393 -10.400 -51.623 1.00 1.00 C ATOM 1181 CE LYS A 72 -4.131 -10.016 -52.373 1.00 1.00 C ATOM 1182 NZ LYS A 72 -3.334 -11.216 -52.751 1.00 1.00 N ATOM 0 H LYS A 72 -8.937 -8.703 -48.757 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.365 -7.782 -51.496 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -7.430 -9.865 -49.652 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -7.882 -10.560 -51.196 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.424 -8.604 -52.193 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.729 -8.550 -50.585 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.123 -10.915 -50.701 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.971 -11.102 -52.223 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -4.396 -9.456 -53.270 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.525 -9.356 -51.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.479 -10.918 -53.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.061 -11.736 -51.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.905 -11.833 -53.363 1.00 1.00 H new ATOM 1196 N CYS A 73 -10.758 -10.006 -50.765 1.00 1.00 N ATOM 1197 CA CYS A 73 -12.028 -10.633 -51.252 1.00 1.00 C ATOM 1198 C CYS A 73 -13.298 -9.800 -50.912 1.00 1.00 C ATOM 1199 O CYS A 73 -14.298 -9.888 -51.662 1.00 1.00 O ATOM 1200 CB CYS A 73 -12.176 -12.066 -50.665 1.00 1.00 C ATOM 1201 SG CYS A 73 -11.824 -12.241 -48.884 1.00 1.00 S ATOM 0 H CYS A 73 -10.545 -10.226 -49.792 1.00 1.00 H new ATOM 0 HA CYS A 73 -11.953 -10.672 -52.339 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -13.194 -12.409 -50.849 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -11.511 -12.732 -51.214 1.00 1.00 H new ATOM 0 HG CYS A 73 -11.988 -13.481 -48.529 1.00 1.00 H new ATOM 1207 N GLY A 74 -13.213 -8.999 -49.794 1.00 1.00 N ATOM 1208 CA GLY A 74 -14.351 -8.184 -49.294 1.00 1.00 C ATOM 1209 C GLY A 74 -15.072 -8.793 -48.090 1.00 1.00 C ATOM 1210 O GLY A 74 -15.772 -8.056 -47.371 1.00 1.00 O ATOM 0 H GLY A 74 -12.366 -8.910 -49.233 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -13.984 -7.194 -49.022 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -15.069 -8.046 -50.103 1.00 1.00 H new ATOM 1214 N PHE A 75 -14.899 -10.172 -47.909 1.00 1.00 N ATOM 1215 CA PHE A 75 -15.494 -10.999 -46.796 1.00 1.00 C ATOM 1216 C PHE A 75 -15.282 -10.391 -45.374 1.00 1.00 C ATOM 1217 O PHE A 75 -14.134 -10.069 -44.976 1.00 1.00 O ATOM 1218 CB PHE A 75 -14.932 -12.458 -46.850 1.00 1.00 C ATOM 1219 CG PHE A 75 -15.974 -13.575 -46.755 1.00 1.00 C ATOM 1220 CD1 PHE A 75 -16.451 -14.030 -45.517 1.00 1.00 C ATOM 1221 CD2 PHE A 75 -16.469 -14.180 -47.909 1.00 1.00 C ATOM 1222 CE1 PHE A 75 -17.386 -15.042 -45.444 1.00 1.00 C ATOM 1223 CE2 PHE A 75 -17.403 -15.191 -47.832 1.00 1.00 C ATOM 1224 CZ PHE A 75 -17.864 -15.621 -46.602 1.00 1.00 C ATOM 0 H PHE A 75 -14.333 -10.730 -48.548 1.00 1.00 H new ATOM 0 HA PHE A 75 -16.571 -11.005 -46.964 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -14.379 -12.580 -47.781 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -14.217 -12.583 -46.036 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -16.081 -13.581 -44.607 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -16.116 -13.853 -48.876 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -17.743 -15.380 -44.483 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -17.776 -15.649 -48.736 1.00 1.00 H new ATOM 0 HZ PHE A 75 -18.599 -16.411 -46.547 1.00 1.00 H new ATOM 1234 N VAL A 76 -16.443 -10.228 -44.674 1.00 1.00 N ATOM 1235 CA VAL A 76 -16.523 -9.613 -43.309 1.00 1.00 C ATOM 1236 C VAL A 76 -16.640 -10.734 -42.257 1.00 1.00 C ATOM 1237 O VAL A 76 -17.589 -11.544 -42.284 1.00 1.00 O ATOM 1238 CB VAL A 76 -17.692 -8.482 -43.136 1.00 1.00 C ATOM 1239 CG1 VAL A 76 -17.500 -7.564 -41.898 1.00 1.00 C ATOM 1240 CG2 VAL A 76 -17.826 -7.528 -44.344 1.00 1.00 C ATOM 0 H VAL A 76 -17.351 -10.518 -45.038 1.00 1.00 H new ATOM 0 HA VAL A 76 -15.600 -9.055 -43.156 1.00 1.00 H new ATOM 0 HB VAL A 76 -18.586 -9.097 -43.028 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -18.314 -6.841 -41.852 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -17.501 -8.170 -40.992 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -16.550 -7.036 -41.980 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -18.622 -6.808 -44.152 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -16.886 -6.998 -44.495 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -18.066 -8.104 -45.238 1.00 1.00 H new ATOM 1250 N PHE A 77 -15.613 -10.702 -41.357 1.00 1.00 N ATOM 1251 CA PHE A 77 -15.480 -11.635 -40.226 1.00 1.00 C ATOM 1252 C PHE A 77 -15.875 -10.942 -38.902 1.00 1.00 C ATOM 1253 O PHE A 77 -15.667 -9.719 -38.735 1.00 1.00 O ATOM 1254 CB PHE A 77 -14.012 -12.164 -40.147 1.00 1.00 C ATOM 1255 CG PHE A 77 -13.674 -13.372 -41.014 1.00 1.00 C ATOM 1256 CD1 PHE A 77 -13.187 -13.218 -42.313 1.00 1.00 C ATOM 1257 CD2 PHE A 77 -13.801 -14.668 -40.507 1.00 1.00 C ATOM 1258 CE1 PHE A 77 -12.849 -14.318 -43.074 1.00 1.00 C ATOM 1259 CE2 PHE A 77 -13.468 -15.764 -41.272 1.00 1.00 C ATOM 1260 CZ PHE A 77 -12.992 -15.589 -42.552 1.00 1.00 C ATOM 0 H PHE A 77 -14.857 -10.019 -41.408 1.00 1.00 H new ATOM 0 HA PHE A 77 -16.153 -12.478 -40.383 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -13.341 -11.350 -40.421 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -13.797 -12.419 -39.109 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -13.074 -12.227 -42.727 1.00 1.00 H new ATOM 0 HD2 PHE A 77 -14.166 -14.812 -39.501 1.00 1.00 H new ATOM 0 HE1 PHE A 77 -12.473 -14.185 -44.078 1.00 1.00 H new ATOM 0 HE2 PHE A 77 -13.580 -16.759 -40.868 1.00 1.00 H new ATOM 0 HZ PHE A 77 -12.729 -16.449 -43.150 1.00 1.00 H new ATOM 1270 N LYS A 78 -16.451 -11.754 -37.966 1.00 1.00 N ATOM 1271 CA LYS A 78 -16.910 -11.287 -36.610 1.00 1.00 C ATOM 1272 C LYS A 78 -15.739 -10.821 -35.693 1.00 1.00 C ATOM 1273 O LYS A 78 -14.663 -11.464 -35.700 1.00 1.00 O ATOM 1274 CB LYS A 78 -17.702 -12.402 -35.931 1.00 1.00 C ATOM 1275 CG LYS A 78 -19.171 -12.076 -35.770 1.00 1.00 C ATOM 1276 CD LYS A 78 -19.630 -12.370 -34.359 1.00 1.00 C ATOM 1277 CE LYS A 78 -21.054 -11.909 -34.131 1.00 1.00 C ATOM 1278 NZ LYS A 78 -21.424 -11.982 -32.693 1.00 1.00 N ATOM 0 H LYS A 78 -16.612 -12.749 -38.125 1.00 1.00 H new ATOM 0 HA LYS A 78 -17.543 -10.414 -36.766 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -17.601 -13.317 -36.514 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.271 -12.600 -34.950 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.343 -11.025 -36.003 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -19.758 -12.660 -36.478 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -19.558 -13.441 -34.168 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -18.968 -11.874 -33.649 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -21.168 -10.885 -34.486 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -21.736 -12.526 -34.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -22.405 -11.660 -32.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -21.338 -12.964 -32.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -20.788 -11.373 -32.140 1.00 1.00 H new ATOM 1292 N ALA A 79 -15.964 -9.668 -34.930 1.00 1.00 N ATOM 1293 CA ALA A 79 -14.956 -9.020 -33.994 1.00 1.00 C ATOM 1294 C ALA A 79 -14.408 -10.005 -32.928 1.00 1.00 C ATOM 1295 O ALA A 79 -15.142 -10.472 -32.009 1.00 1.00 O ATOM 1296 CB ALA A 79 -15.526 -7.743 -33.359 1.00 1.00 C ATOM 0 H ALA A 79 -16.853 -9.169 -34.954 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.100 -8.731 -34.604 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -14.782 -7.303 -32.695 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -15.780 -7.029 -34.143 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -16.421 -7.989 -32.788 1.00 1.00 H new ATOM 1302 N GLU A 80 -13.107 -10.333 -33.137 1.00 1.00 N ATOM 1303 CA GLU A 80 -12.365 -11.333 -32.355 1.00 1.00 C ATOM 1304 C GLU A 80 -11.140 -10.736 -31.603 1.00 1.00 C ATOM 1305 O GLU A 80 -10.773 -9.557 -31.786 1.00 1.00 O ATOM 1306 CB GLU A 80 -11.965 -12.513 -33.326 1.00 1.00 C ATOM 1307 CG GLU A 80 -12.978 -13.658 -33.341 1.00 1.00 C ATOM 1308 CD GLU A 80 -12.493 -14.868 -34.118 1.00 1.00 C ATOM 1309 OE1 GLU A 80 -12.699 -14.910 -35.351 1.00 1.00 O ATOM 1310 OE2 GLU A 80 -11.920 -15.782 -33.489 1.00 1.00 O ATOM 0 H GLU A 80 -12.543 -9.898 -33.867 1.00 1.00 H new ATOM 0 HA GLU A 80 -13.007 -11.712 -31.560 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -11.857 -12.121 -34.337 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -10.991 -12.903 -33.030 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -13.197 -13.955 -32.316 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -13.912 -13.304 -33.777 1.00 1.00 H new ATOM 1317 N ILE A 81 -10.583 -11.609 -30.726 1.00 1.00 N ATOM 1318 CA ILE A 81 -9.370 -11.306 -29.891 1.00 1.00 C ATOM 1319 C ILE A 81 -8.152 -11.997 -30.606 1.00 1.00 C ATOM 1320 O ILE A 81 -7.507 -11.329 -31.435 1.00 1.00 O ATOM 1321 CB ILE A 81 -9.496 -11.613 -28.314 1.00 1.00 C ATOM 1322 CG1 ILE A 81 -10.454 -12.792 -27.937 1.00 1.00 C ATOM 1323 CG2 ILE A 81 -9.934 -10.347 -27.591 1.00 1.00 C ATOM 1324 CD1 ILE A 81 -9.758 -13.987 -27.322 1.00 1.00 C ATOM 0 H ILE A 81 -10.955 -12.546 -30.570 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.227 -10.226 -29.850 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.505 -11.937 -27.997 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.206 -12.425 -27.238 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.983 -13.116 -28.833 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.021 -10.549 -26.523 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.196 -9.562 -27.753 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.900 -10.022 -27.978 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.494 -14.757 -27.091 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.026 -14.384 -28.026 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -9.252 -13.682 -26.406 1.00 1.00 H new ATOM 1336 N ASN A 82 -7.867 -13.315 -30.273 1.00 1.00 N ATOM 1337 CA ASN A 82 -6.798 -14.170 -30.991 1.00 1.00 C ATOM 1338 C ASN A 82 -7.097 -14.249 -32.560 1.00 1.00 C ATOM 1339 O ASN A 82 -8.294 -14.314 -32.919 1.00 1.00 O ATOM 1340 CB ASN A 82 -6.645 -15.606 -30.355 1.00 1.00 C ATOM 1341 CG ASN A 82 -7.950 -16.370 -30.007 1.00 1.00 C ATOM 1342 OD1 ASN A 82 -8.773 -16.660 -30.883 1.00 1.00 O ATOM 1343 ND2 ASN A 82 -8.133 -16.672 -28.729 1.00 1.00 N ATOM 0 H ASN A 82 -8.349 -13.813 -29.525 1.00 1.00 H new ATOM 0 HA ASN A 82 -5.839 -13.671 -30.852 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -6.067 -16.221 -31.045 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -6.056 -15.511 -29.443 1.00 1.00 H new ATOM 0 HD21 ASN A 82 -8.978 -17.162 -28.437 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -7.428 -16.414 -28.038 1.00 1.00 H new ATOM 1350 N ILE A 83 -6.033 -14.280 -33.447 1.00 1.00 N ATOM 1351 CA ILE A 83 -6.216 -14.239 -34.951 1.00 1.00 C ATOM 1352 C ILE A 83 -6.056 -15.689 -35.571 1.00 1.00 C ATOM 1353 O ILE A 83 -5.061 -16.355 -35.228 1.00 1.00 O ATOM 1354 CB ILE A 83 -5.270 -13.135 -35.727 1.00 1.00 C ATOM 1355 CG1 ILE A 83 -5.579 -11.677 -35.273 1.00 1.00 C ATOM 1356 CG2 ILE A 83 -5.406 -13.129 -37.302 1.00 1.00 C ATOM 1357 CD1 ILE A 83 -4.390 -10.910 -34.697 1.00 1.00 C ATOM 0 H ILE A 83 -5.058 -14.332 -33.151 1.00 1.00 H new ATOM 0 HA ILE A 83 -7.235 -13.891 -35.118 1.00 1.00 H new ATOM 0 HB ILE A 83 -4.264 -13.451 -35.453 1.00 1.00 H new ATOM 0 HG12 ILE A 83 -5.970 -11.123 -36.126 1.00 1.00 H new ATOM 0 HG13 ILE A 83 -6.370 -11.707 -34.523 1.00 1.00 H new ATOM 0 HG21 ILE A 83 -4.745 -12.370 -37.721 1.00 1.00 H new ATOM 0 HG22 ILE A 83 -5.130 -14.108 -37.695 1.00 1.00 H new ATOM 0 HG23 ILE A 83 -6.437 -12.905 -37.577 1.00 1.00 H new ATOM 0 HD11 ILE A 83 -4.708 -9.907 -34.411 1.00 1.00 H new ATOM 0 HD12 ILE A 83 -4.009 -11.434 -33.820 1.00 1.00 H new ATOM 0 HD13 ILE A 83 -3.603 -10.841 -35.448 1.00 1.00 H new ATOM 1369 N PRO A 84 -7.047 -16.202 -36.515 1.00 1.00 N ATOM 1370 CA PRO A 84 -6.898 -17.523 -37.248 1.00 1.00 C ATOM 1371 C PRO A 84 -5.775 -17.478 -38.340 1.00 1.00 C ATOM 1372 O PRO A 84 -5.643 -16.449 -39.049 1.00 1.00 O ATOM 1373 CB PRO A 84 -8.285 -17.746 -37.910 1.00 1.00 C ATOM 1374 CG PRO A 84 -9.220 -16.826 -37.208 1.00 1.00 C ATOM 1375 CD PRO A 84 -8.408 -15.616 -36.869 1.00 1.00 C ATOM 0 HA PRO A 84 -6.607 -18.324 -36.569 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -8.249 -17.528 -38.977 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -8.605 -18.783 -37.807 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -10.066 -16.566 -37.844 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -9.627 -17.290 -36.310 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -8.343 -14.925 -37.710 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -8.838 -15.063 -36.034 1.00 1.00 H new ATOM 1383 N SER A 85 -4.973 -18.592 -38.442 1.00 1.00 N ATOM 1384 CA SER A 85 -3.822 -18.754 -39.425 1.00 1.00 C ATOM 1385 C SER A 85 -4.254 -18.821 -40.937 1.00 1.00 C ATOM 1386 O SER A 85 -3.500 -18.356 -41.810 1.00 1.00 O ATOM 1387 CB SER A 85 -2.982 -19.989 -39.051 1.00 1.00 C ATOM 1388 OG SER A 85 -2.172 -19.734 -37.912 1.00 1.00 O ATOM 0 H SER A 85 -5.101 -19.410 -37.846 1.00 1.00 H new ATOM 0 HA SER A 85 -3.225 -17.846 -39.336 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.641 -20.833 -38.850 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.351 -20.271 -39.894 1.00 1.00 H new ATOM 0 HG SER A 85 -1.651 -20.535 -37.695 1.00 1.00 H new ATOM 1394 N ARG A 86 -5.485 -19.412 -41.172 1.00 1.00 N ATOM 1395 CA ARG A 86 -6.138 -19.585 -42.509 1.00 1.00 C ATOM 1396 C ARG A 86 -7.671 -19.589 -42.367 1.00 1.00 C ATOM 1397 O ARG A 86 -8.223 -20.372 -41.546 1.00 1.00 O ATOM 1398 CB ARG A 86 -5.728 -20.921 -43.210 1.00 1.00 C ATOM 1399 CG ARG A 86 -4.482 -20.858 -44.065 1.00 1.00 C ATOM 1400 CD ARG A 86 -4.078 -22.263 -44.479 1.00 1.00 C ATOM 1401 NE ARG A 86 -2.915 -22.285 -45.404 1.00 1.00 N ATOM 1402 CZ ARG A 86 -2.685 -23.155 -46.449 1.00 1.00 C ATOM 1403 NH1 ARG A 86 -3.561 -24.103 -46.860 1.00 1.00 N ATOM 1404 NH2 ARG A 86 -1.540 -23.047 -47.109 1.00 1.00 N ATOM 0 H ARG A 86 -6.054 -19.786 -40.412 1.00 1.00 H new ATOM 0 HA ARG A 86 -5.801 -18.745 -43.117 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -5.582 -21.682 -42.443 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -6.558 -21.252 -43.834 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -4.665 -20.246 -44.948 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -3.672 -20.384 -43.511 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.837 -22.843 -43.588 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -4.926 -22.752 -44.959 1.00 1.00 H new ATOM 0 HE ARG A 86 -2.202 -21.572 -45.247 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -4.459 -24.207 -46.387 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -3.323 -24.713 -47.642 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -0.861 -22.336 -46.839 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -1.339 -23.675 -47.887 1.00 1.00 H new ATOM 1418 N CYS A 87 -8.375 -18.616 -43.074 1.00 1.00 N ATOM 1419 CA CYS A 87 -9.893 -18.539 -43.193 1.00 1.00 C ATOM 1420 C CYS A 87 -10.482 -19.854 -43.931 1.00 1.00 C ATOM 1421 O CYS A 87 -9.683 -20.433 -44.700 1.00 1.00 O ATOM 1422 CB CYS A 87 -10.264 -17.307 -44.040 1.00 1.00 C ATOM 1423 SG CYS A 87 -9.651 -15.715 -43.429 1.00 1.00 S ATOM 0 H CYS A 87 -7.903 -17.864 -43.576 1.00 1.00 H new ATOM 0 HA CYS A 87 -10.316 -18.471 -42.191 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.885 -17.457 -45.051 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -11.350 -17.253 -44.112 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.657 -14.956 -43.111 1.00 1.00 H new ATOM 1509 N GLU A 93 -3.463 -12.915 -46.344 1.00 1.00 N ATOM 1510 CA GLU A 93 -2.568 -12.474 -45.228 1.00 1.00 C ATOM 1511 C GLU A 93 -2.745 -10.945 -44.893 1.00 1.00 C ATOM 1512 O GLU A 93 -2.099 -10.410 -43.952 1.00 1.00 O ATOM 1513 CB GLU A 93 -1.110 -12.833 -45.573 1.00 1.00 C ATOM 1514 CG GLU A 93 -0.671 -14.174 -45.001 1.00 1.00 C ATOM 1515 CD GLU A 93 0.786 -14.476 -45.287 1.00 1.00 C ATOM 1516 OE1 GLU A 93 1.076 -15.063 -46.352 1.00 1.00 O ATOM 1517 OE2 GLU A 93 1.637 -14.127 -44.443 1.00 1.00 O ATOM 0 HA GLU A 93 -2.851 -13.006 -44.320 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -0.994 -12.852 -46.657 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -0.451 -12.051 -45.196 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -0.835 -14.177 -43.923 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -1.292 -14.965 -45.420 1.00 1.00 H new ATOM 1524 N TRP A 94 -3.699 -10.293 -45.660 1.00 1.00 N ATOM 1525 CA TRP A 94 -4.104 -8.903 -45.521 1.00 1.00 C ATOM 1526 C TRP A 94 -5.525 -8.884 -44.898 1.00 1.00 C ATOM 1527 O TRP A 94 -6.581 -9.008 -45.586 1.00 1.00 O ATOM 1528 CB TRP A 94 -4.026 -8.155 -46.885 1.00 1.00 C ATOM 1529 CG TRP A 94 -3.019 -7.015 -46.900 1.00 1.00 C ATOM 1530 CD1 TRP A 94 -3.298 -5.698 -46.632 1.00 1.00 C ATOM 1531 CD2 TRP A 94 -1.590 -7.062 -47.202 1.00 1.00 C ATOM 1532 NE1 TRP A 94 -2.161 -4.942 -46.716 1.00 1.00 N ATOM 1533 CE2 TRP A 94 -1.107 -5.745 -47.065 1.00 1.00 C ATOM 1534 CE3 TRP A 94 -0.663 -8.077 -47.561 1.00 1.00 C ATOM 1535 CZ2 TRP A 94 0.229 -5.414 -47.272 1.00 1.00 C ATOM 1536 CZ3 TRP A 94 0.655 -7.738 -47.766 1.00 1.00 C ATOM 1537 CH2 TRP A 94 1.092 -6.419 -47.618 1.00 1.00 C ATOM 0 H TRP A 94 -4.203 -10.770 -46.408 1.00 1.00 H new ATOM 0 HA TRP A 94 -3.423 -8.366 -44.860 1.00 1.00 H new ATOM 0 HB2 TRP A 94 -3.765 -8.869 -47.666 1.00 1.00 H new ATOM 0 HB3 TRP A 94 -5.012 -7.760 -47.130 1.00 1.00 H new ATOM 0 HD1 TRP A 94 -4.277 -5.313 -46.389 1.00 1.00 H new ATOM 0 HE1 TRP A 94 -2.106 -3.938 -46.546 1.00 1.00 H new ATOM 0 HE3 TRP A 94 -0.988 -9.101 -47.672 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 0.574 -4.396 -47.163 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 1.363 -8.504 -48.046 1.00 1.00 H new ATOM 0 HH2 TRP A 94 2.134 -6.187 -47.780 1.00 1.00 H new ATOM 1548 N ILE A 95 -5.477 -8.837 -43.560 1.00 1.00 N ATOM 1549 CA ILE A 95 -6.659 -8.782 -42.657 1.00 1.00 C ATOM 1550 C ILE A 95 -6.446 -7.571 -41.734 1.00 1.00 C ATOM 1551 O ILE A 95 -5.304 -7.308 -41.275 1.00 1.00 O ATOM 1552 CB ILE A 95 -7.005 -10.102 -41.764 1.00 1.00 C ATOM 1553 CG1 ILE A 95 -6.278 -11.438 -42.193 1.00 1.00 C ATOM 1554 CG2 ILE A 95 -8.545 -10.353 -41.783 1.00 1.00 C ATOM 1555 CD1 ILE A 95 -5.693 -12.286 -41.060 1.00 1.00 C ATOM 0 H ILE A 95 -4.593 -8.836 -43.050 1.00 1.00 H new ATOM 0 HA ILE A 95 -7.529 -8.711 -43.310 1.00 1.00 H new ATOM 0 HB ILE A 95 -6.628 -9.866 -40.769 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -6.988 -12.051 -42.748 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -5.472 -11.183 -42.881 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -8.777 -11.235 -41.186 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -9.060 -9.487 -41.366 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -8.875 -10.512 -42.810 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -5.221 -13.175 -41.478 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -4.951 -11.703 -40.515 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -6.491 -12.584 -40.380 1.00 1.00 H new ATOM 1567 N GLU A 96 -7.594 -6.873 -41.409 1.00 1.00 N ATOM 1568 CA GLU A 96 -7.640 -5.666 -40.541 1.00 1.00 C ATOM 1569 C GLU A 96 -7.713 -6.083 -39.060 1.00 1.00 C ATOM 1570 O GLU A 96 -8.560 -6.939 -38.687 1.00 1.00 O ATOM 1571 CB GLU A 96 -8.843 -4.768 -40.914 1.00 1.00 C ATOM 1572 CG GLU A 96 -8.510 -3.589 -41.819 1.00 1.00 C ATOM 1573 CD GLU A 96 -9.723 -2.712 -42.084 1.00 1.00 C ATOM 1574 OE1 GLU A 96 -10.467 -2.995 -43.050 1.00 1.00 O ATOM 1575 OE2 GLU A 96 -9.936 -1.748 -41.318 1.00 1.00 O ATOM 0 H GLU A 96 -8.514 -7.148 -41.754 1.00 1.00 H new ATOM 0 HA GLU A 96 -6.728 -5.090 -40.698 1.00 1.00 H new ATOM 0 HB2 GLU A 96 -9.597 -5.382 -41.406 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -9.291 -4.387 -39.996 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -7.724 -2.990 -41.359 1.00 1.00 H new ATOM 0 HG3 GLU A 96 -8.117 -3.959 -42.766 1.00 1.00 H new ATOM 1582 N GLU A 97 -6.789 -5.486 -38.232 1.00 1.00 N ATOM 1583 CA GLU A 97 -6.662 -5.768 -36.778 1.00 1.00 C ATOM 1584 C GLU A 97 -7.763 -5.032 -35.927 1.00 1.00 C ATOM 1585 O GLU A 97 -7.984 -3.825 -36.181 1.00 1.00 O ATOM 1586 CB GLU A 97 -5.250 -5.430 -36.276 1.00 1.00 C ATOM 1587 CG GLU A 97 -4.453 -6.663 -35.870 1.00 1.00 C ATOM 1588 CD GLU A 97 -3.035 -6.657 -36.413 1.00 1.00 C ATOM 1589 OE1 GLU A 97 -2.827 -7.155 -37.540 1.00 1.00 O ATOM 1590 OE2 GLU A 97 -2.134 -6.159 -35.708 1.00 1.00 O ATOM 0 H GLU A 97 -6.116 -4.796 -38.567 1.00 1.00 H new ATOM 0 HA GLU A 97 -6.826 -6.837 -36.643 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.710 -4.896 -37.058 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -5.325 -4.755 -35.423 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -4.420 -6.726 -34.782 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -4.969 -7.555 -36.225 1.00 1.00 H new ATOM 1597 N PRO A 98 -8.499 -5.740 -34.903 1.00 1.00 N ATOM 1598 CA PRO A 98 -9.608 -5.117 -34.066 1.00 1.00 C ATOM 1599 C PRO A 98 -9.152 -3.945 -33.159 1.00 1.00 C ATOM 1600 O PRO A 98 -7.974 -3.926 -32.737 1.00 1.00 O ATOM 1601 CB PRO A 98 -10.133 -6.308 -33.236 1.00 1.00 C ATOM 1602 CG PRO A 98 -9.691 -7.515 -33.976 1.00 1.00 C ATOM 1603 CD PRO A 98 -8.328 -7.177 -34.447 1.00 1.00 C ATOM 0 HA PRO A 98 -10.361 -4.648 -34.699 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -9.727 -6.294 -32.225 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -11.219 -6.277 -33.144 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -9.683 -8.395 -33.333 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -10.357 -7.736 -34.810 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -7.588 -7.267 -33.652 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.004 -7.827 -35.260 1.00 1.00 H new ATOM 1611 N ARG A 99 -10.114 -3.002 -32.839 1.00 1.00 N ATOM 1612 CA ARG A 99 -9.866 -1.790 -32.038 1.00 1.00 C ATOM 1613 C ARG A 99 -10.622 -1.888 -30.718 1.00 1.00 C ATOM 1614 O ARG A 99 -11.833 -2.234 -30.688 1.00 1.00 O ATOM 1615 CB ARG A 99 -10.244 -0.501 -32.807 1.00 1.00 C ATOM 1616 CG ARG A 99 -9.115 0.084 -33.652 1.00 1.00 C ATOM 1617 CD ARG A 99 -9.581 1.312 -34.417 1.00 1.00 C ATOM 1618 NE ARG A 99 -8.520 1.872 -35.303 1.00 1.00 N ATOM 1619 CZ ARG A 99 -8.638 2.914 -36.200 1.00 1.00 C ATOM 1620 NH1 ARG A 99 -9.773 3.621 -36.395 1.00 1.00 N ATOM 1621 NH2 ARG A 99 -7.572 3.248 -36.917 1.00 1.00 N ATOM 0 H ARG A 99 -11.084 -3.086 -33.144 1.00 1.00 H new ATOM 0 HA ARG A 99 -8.797 -1.727 -31.833 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -11.093 -0.716 -33.456 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -10.573 0.252 -32.090 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -8.276 0.350 -33.009 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -8.754 -0.669 -34.353 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -10.452 1.052 -35.019 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -9.900 2.077 -33.709 1.00 1.00 H new ATOM 0 HE ARG A 99 -7.601 1.434 -35.238 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -10.612 3.395 -35.861 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -9.790 4.380 -37.076 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -6.696 2.739 -36.797 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -7.628 4.014 -37.588 1.00 1.00 H new ATOM 1635 N PHE A 100 -9.864 -1.573 -29.646 1.00 1.00 N ATOM 1636 CA PHE A 100 -10.337 -1.616 -28.244 1.00 1.00 C ATOM 1637 C PHE A 100 -10.391 -0.189 -27.685 1.00 1.00 C ATOM 1638 O PHE A 100 -9.393 0.554 -27.754 1.00 1.00 O ATOM 1639 CB PHE A 100 -9.441 -2.574 -27.377 1.00 1.00 C ATOM 1640 CG PHE A 100 -9.462 -4.066 -27.763 1.00 1.00 C ATOM 1641 CD1 PHE A 100 -10.409 -4.945 -27.233 1.00 1.00 C ATOM 1642 CD2 PHE A 100 -8.521 -4.579 -28.662 1.00 1.00 C ATOM 1643 CE1 PHE A 100 -10.408 -6.283 -27.587 1.00 1.00 C ATOM 1644 CE2 PHE A 100 -8.529 -5.917 -29.015 1.00 1.00 C ATOM 1645 CZ PHE A 100 -9.472 -6.764 -28.477 1.00 1.00 C ATOM 0 H PHE A 100 -8.892 -1.277 -29.731 1.00 1.00 H new ATOM 0 HA PHE A 100 -11.345 -2.029 -28.207 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -8.411 -2.221 -27.432 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.753 -2.486 -26.336 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.150 -4.577 -26.539 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.777 -3.921 -29.087 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -11.143 -6.952 -27.165 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -7.796 -6.297 -29.712 1.00 1.00 H new ATOM 0 HZ PHE A 100 -9.478 -7.808 -28.753 1.00 1.00 H new ATOM 1655 N LYS A 101 -11.610 0.183 -27.190 1.00 1.00 N ATOM 1656 CA LYS A 101 -11.938 1.529 -26.627 1.00 1.00 C ATOM 1657 C LYS A 101 -12.728 1.391 -25.309 1.00 1.00 C ATOM 1658 O LYS A 101 -13.525 0.434 -25.155 1.00 1.00 O ATOM 1659 CB LYS A 101 -12.766 2.374 -27.643 1.00 1.00 C ATOM 1660 CG LYS A 101 -12.038 3.621 -28.116 1.00 1.00 C ATOM 1661 CD LYS A 101 -12.988 4.794 -28.300 1.00 1.00 C ATOM 1662 CE LYS A 101 -12.226 6.078 -28.593 1.00 1.00 C ATOM 1663 NZ LYS A 101 -13.127 7.261 -28.695 1.00 1.00 N ATOM 0 H LYS A 101 -12.405 -0.456 -27.171 1.00 1.00 H new ATOM 0 HA LYS A 101 -10.996 2.041 -26.428 1.00 1.00 H new ATOM 0 HB2 LYS A 101 -13.012 1.755 -28.506 1.00 1.00 H new ATOM 0 HB3 LYS A 101 -13.709 2.665 -27.181 1.00 1.00 H new ATOM 0 HG2 LYS A 101 -11.267 3.888 -27.393 1.00 1.00 H new ATOM 0 HG3 LYS A 101 -11.533 3.411 -29.059 1.00 1.00 H new ATOM 0 HD2 LYS A 101 -13.677 4.582 -29.117 1.00 1.00 H new ATOM 0 HD3 LYS A 101 -13.590 4.922 -27.400 1.00 1.00 H new ATOM 0 HE2 LYS A 101 -11.492 6.250 -27.805 1.00 1.00 H new ATOM 0 HE3 LYS A 101 -11.672 5.964 -29.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 101 -12.562 8.111 -28.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 101 -13.811 7.111 -29.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 101 -13.637 7.388 -27.797 1.00 1.00 H new ATOM 1677 N LEU A 102 -12.522 2.386 -24.391 1.00 1.00 N ATOM 1678 CA LEU A 102 -13.193 2.478 -23.077 1.00 1.00 C ATOM 1679 C LEU A 102 -13.997 3.773 -22.994 1.00 1.00 C ATOM 1680 O LEU A 102 -13.464 4.877 -23.298 1.00 1.00 O ATOM 1681 CB LEU A 102 -12.181 2.360 -21.914 1.00 1.00 C ATOM 1682 CG LEU A 102 -11.848 0.927 -21.489 1.00 1.00 C ATOM 1683 CD1 LEU A 102 -10.383 0.610 -21.756 1.00 1.00 C ATOM 1684 CD2 LEU A 102 -12.176 0.724 -20.020 1.00 1.00 C ATOM 0 H LEU A 102 -11.872 3.154 -24.558 1.00 1.00 H new ATOM 0 HA LEU A 102 -13.881 1.638 -22.980 1.00 1.00 H new ATOM 0 HB2 LEU A 102 -11.257 2.861 -22.204 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -12.577 2.896 -21.052 1.00 1.00 H new ATOM 0 HG LEU A 102 -12.457 0.243 -22.081 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -10.170 -0.413 -21.446 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -10.176 0.717 -22.821 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -9.753 1.298 -21.192 1.00 1.00 H new ATOM 0 HD21 LEU A 102 -11.934 -0.299 -19.731 1.00 1.00 H new ATOM 0 HD22 LEU A 102 -11.591 1.419 -19.417 1.00 1.00 H new ATOM 0 HD23 LEU A 102 -13.238 0.906 -19.856 1.00 1.00 H new ATOM 1696 N GLU A 103 -15.292 3.603 -22.603 1.00 1.00 N ATOM 1697 CA GLU A 103 -16.261 4.706 -22.452 1.00 1.00 C ATOM 1698 C GLU A 103 -16.755 4.797 -21.006 1.00 1.00 C ATOM 1699 O GLU A 103 -17.158 3.770 -20.396 1.00 1.00 O ATOM 1700 CB GLU A 103 -17.437 4.569 -23.447 1.00 1.00 C ATOM 1701 CG GLU A 103 -17.568 5.760 -24.386 1.00 1.00 C ATOM 1702 CD GLU A 103 -17.923 5.441 -25.888 1.00 1.00 C ATOM 1703 OE1 GLU A 103 -19.139 5.418 -26.239 1.00 1.00 O ATOM 1704 OE2 GLU A 103 -16.983 5.281 -26.720 1.00 1.00 O ATOM 0 H GLU A 103 -15.686 2.688 -22.385 1.00 1.00 H new ATOM 0 HA GLU A 103 -15.749 5.638 -22.691 1.00 1.00 H new ATOM 0 HB2 GLU A 103 -17.302 3.662 -24.037 1.00 1.00 H new ATOM 0 HB3 GLU A 103 -18.366 4.451 -22.888 1.00 1.00 H new ATOM 0 HG2 GLU A 103 -18.336 6.424 -23.988 1.00 1.00 H new ATOM 0 HG3 GLU A 103 -16.628 6.312 -24.368 1.00 1.00 H new ATOM 1711 N ARG A 104 -16.672 6.055 -20.480 1.00 1.00 N ATOM 1712 CA ARG A 104 -17.104 6.422 -19.099 1.00 1.00 C ATOM 1713 C ARG A 104 -18.546 6.975 -19.070 1.00 1.00 C ATOM 1714 O ARG A 104 -18.866 8.010 -19.725 1.00 1.00 O ATOM 1715 CB ARG A 104 -16.118 7.433 -18.460 1.00 1.00 C ATOM 1716 CG ARG A 104 -14.936 6.824 -17.716 1.00 1.00 C ATOM 1717 CD ARG A 104 -14.142 7.925 -17.032 1.00 1.00 C ATOM 1718 NE ARG A 104 -13.010 7.414 -16.204 1.00 1.00 N ATOM 1719 CZ ARG A 104 -12.574 7.921 -14.996 1.00 1.00 C ATOM 1720 NH1 ARG A 104 -13.242 8.865 -14.296 1.00 1.00 N ATOM 1721 NH2 ARG A 104 -11.459 7.434 -14.467 1.00 1.00 N ATOM 0 H ARG A 104 -16.301 6.846 -21.007 1.00 1.00 H new ATOM 0 HA ARG A 104 -17.094 5.507 -18.507 1.00 1.00 H new ATOM 0 HB2 ARG A 104 -15.733 8.083 -19.246 1.00 1.00 H new ATOM 0 HB3 ARG A 104 -16.673 8.065 -17.767 1.00 1.00 H new ATOM 0 HG2 ARG A 104 -15.290 6.104 -16.978 1.00 1.00 H new ATOM 0 HG3 ARG A 104 -14.297 6.279 -18.411 1.00 1.00 H new ATOM 0 HD2 ARG A 104 -13.751 8.604 -17.789 1.00 1.00 H new ATOM 0 HD3 ARG A 104 -14.812 8.506 -16.398 1.00 1.00 H new ATOM 0 HE ARG A 104 -12.506 6.606 -16.569 1.00 1.00 H new ATOM 0 HH11 ARG A 104 -14.119 9.242 -14.656 1.00 1.00 H new ATOM 0 HH12 ARG A 104 -12.869 9.201 -13.408 1.00 1.00 H new ATOM 0 HH21 ARG A 104 -10.943 6.700 -14.952 1.00 1.00 H new ATOM 0 HH22 ARG A 104 -11.118 7.794 -13.575 1.00 1.00 H new ATOM 1735 N LYS A 105 -19.498 6.194 -18.318 1.00 1.00 N ATOM 1736 CA LYS A 105 -21.011 6.506 -18.110 1.00 1.00 C ATOM 1737 C LYS A 105 -21.349 6.838 -16.570 1.00 1.00 C ATOM 1738 O LYS A 105 -21.181 5.963 -15.660 1.00 1.00 O ATOM 1739 CB LYS A 105 -21.966 5.332 -18.715 1.00 1.00 C ATOM 1740 CG LYS A 105 -22.662 5.624 -20.111 1.00 1.00 C ATOM 1741 CD LYS A 105 -23.563 4.458 -20.614 1.00 1.00 C ATOM 1742 CE LYS A 105 -24.256 4.766 -21.963 1.00 1.00 C ATOM 1743 NZ LYS A 105 -25.115 3.634 -22.429 1.00 1.00 N ATOM 1744 OXT LYS A 105 -21.745 8.004 -16.303 1.00 1.00 O ATOM 0 H LYS A 105 -19.220 5.334 -17.846 1.00 1.00 H new ATOM 0 HA LYS A 105 -21.232 7.408 -18.680 1.00 1.00 H new ATOM 0 HB2 LYS A 105 -21.368 4.426 -18.816 1.00 1.00 H new ATOM 0 HB3 LYS A 105 -22.746 5.119 -17.984 1.00 1.00 H new ATOM 0 HG2 LYS A 105 -23.266 6.527 -20.025 1.00 1.00 H new ATOM 0 HG3 LYS A 105 -21.892 5.825 -20.856 1.00 1.00 H new ATOM 0 HD2 LYS A 105 -22.957 3.558 -20.721 1.00 1.00 H new ATOM 0 HD3 LYS A 105 -24.323 4.243 -19.862 1.00 1.00 H new ATOM 0 HE2 LYS A 105 -24.866 5.664 -21.860 1.00 1.00 H new ATOM 0 HE3 LYS A 105 -23.499 4.980 -22.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 -25.559 3.885 -23.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 -24.530 2.783 -22.554 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 -25.854 3.446 -21.722 1.00 1.00 H new