USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.268 K(o=0.27,f=-1.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -40:sc= 1.1 USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.13) USER MOD Single : A 42 SER OG : rot -60:sc= 0.479 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.67) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.579 F(o=-3.2,f=-0.58) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.342 F(o=-1.8!,f=-0.34) USER MOD Single : A 80 SER OG : rot 163:sc= 0.334 USER MOD Single : A 88 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.6) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 15:sc= 1.04 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.252 F(o=-1,f=-0.25) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 143:sc= -0.0136 (180deg=-0.661) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 15.715 1.207 7.387 1.00 0.00 N ATOM 126 CA LEU A 10 14.422 0.590 7.669 1.00 0.00 C ATOM 127 C LEU A 10 13.785 0.045 6.393 1.00 0.00 C ATOM 128 O LEU A 10 13.057 -0.948 6.429 1.00 0.00 O ATOM 129 CB LEU A 10 13.486 1.609 8.326 1.00 0.00 C ATOM 130 CG LEU A 10 14.020 2.244 9.612 1.00 0.00 C ATOM 131 CD1 LEU A 10 13.029 3.263 10.151 1.00 0.00 C ATOM 132 CD2 LEU A 10 14.313 1.177 10.658 1.00 0.00 C ATOM 0 HA LEU A 10 14.585 -0.243 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.275 2.401 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.538 1.119 8.547 1.00 0.00 H new ATOM 0 HG LEU A 10 14.953 2.758 9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.423 3.706 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.871 4.045 9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.081 2.770 10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.692 1.650 11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.397 0.632 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.060 0.484 10.271 1.00 0.00 H new ATOM 144 N TRP A 11 14.098 0.683 5.266 1.00 0.00 N ATOM 145 CA TRP A 11 13.531 0.311 3.973 1.00 0.00 C ATOM 146 C TRP A 11 13.893 -1.125 3.612 1.00 0.00 C ATOM 147 O TRP A 11 13.075 -1.871 3.076 1.00 0.00 O ATOM 148 CB TRP A 11 14.035 1.274 2.891 1.00 0.00 C ATOM 149 CG TRP A 11 13.515 0.985 1.511 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.124 0.230 0.546 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.290 1.452 0.936 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.348 0.199 -0.587 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.222 0.941 -0.373 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.243 2.252 1.399 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.153 1.203 -1.221 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.180 2.512 0.554 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.144 1.987 -0.744 1.00 0.00 C ATOM 0 H TRP A 11 14.748 1.468 5.224 1.00 0.00 H new ATOM 0 HA TRP A 11 12.445 0.379 4.038 1.00 0.00 H new ATOM 0 HB2 TRP A 11 13.753 2.290 3.167 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.124 1.240 2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 11 15.075 -0.269 0.659 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.576 -0.298 -1.448 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.263 2.660 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.122 0.800 -2.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.365 3.130 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.300 2.208 -1.380 1.00 0.00 H new ATOM 168 N GLN A 12 15.120 -1.514 3.925 1.00 0.00 N ATOM 169 CA GLN A 12 15.609 -2.835 3.585 1.00 0.00 C ATOM 170 C GLN A 12 14.890 -3.915 4.392 1.00 0.00 C ATOM 171 O GLN A 12 14.525 -4.958 3.855 1.00 0.00 O ATOM 172 CB GLN A 12 17.117 -2.905 3.820 1.00 0.00 C ATOM 173 CG GLN A 12 17.902 -1.881 3.019 1.00 0.00 C ATOM 174 CD GLN A 12 19.399 -2.051 3.164 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.019 -1.482 4.062 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.992 -2.829 2.275 1.00 0.00 N ATOM 0 H GLN A 12 15.795 -0.928 4.416 1.00 0.00 H new ATOM 0 HA GLN A 12 15.403 -3.018 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.319 -2.757 4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.471 -3.904 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.631 -1.963 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.621 -0.879 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.441 -3.282 1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.000 -2.976 2.318 1.00 0.00 H new ATOM 185 N ARG A 13 14.678 -3.652 5.675 1.00 0.00 N ATOM 186 CA ARG A 13 14.074 -4.637 6.566 1.00 0.00 C ATOM 187 C ARG A 13 12.566 -4.771 6.315 1.00 0.00 C ATOM 188 O ARG A 13 11.999 -5.848 6.493 1.00 0.00 O ATOM 189 CB ARG A 13 14.364 -4.272 8.026 1.00 0.00 C ATOM 190 CG ARG A 13 14.275 -5.451 8.988 1.00 0.00 C ATOM 191 CD ARG A 13 12.871 -5.638 9.537 1.00 0.00 C ATOM 192 NE ARG A 13 12.496 -4.556 10.447 1.00 0.00 N ATOM 193 CZ ARG A 13 11.483 -4.623 11.306 1.00 0.00 C ATOM 194 NH1 ARG A 13 10.732 -5.716 11.368 1.00 0.00 N ATOM 195 NH2 ARG A 13 11.229 -3.603 12.113 1.00 0.00 N ATOM 0 H ARG A 13 14.915 -2.766 6.123 1.00 0.00 H new ATOM 0 HA ARG A 13 14.521 -5.609 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.362 -3.838 8.090 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.661 -3.502 8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.587 -6.361 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.969 -5.297 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.161 -5.682 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.809 -6.592 10.061 1.00 0.00 H new ATOM 0 HE ARG A 13 13.045 -3.697 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.931 -6.507 10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.956 -5.765 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.811 -2.766 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.452 -3.655 12.772 1.00 0.00 H new ATOM 209 N LEU A 14 11.915 -3.685 5.901 1.00 0.00 N ATOM 210 CA LEU A 14 10.489 -3.745 5.582 1.00 0.00 C ATOM 211 C LEU A 14 10.281 -4.449 4.247 1.00 0.00 C ATOM 212 O LEU A 14 9.272 -5.121 4.029 1.00 0.00 O ATOM 213 CB LEU A 14 9.855 -2.341 5.593 1.00 0.00 C ATOM 214 CG LEU A 14 10.432 -1.296 4.622 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.864 -1.458 3.221 1.00 0.00 C ATOM 216 CD2 LEU A 14 10.157 0.110 5.140 1.00 0.00 C ATOM 0 H LEU A 14 12.343 -2.767 5.780 1.00 0.00 H new ATOM 0 HA LEU A 14 9.983 -4.326 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.792 -2.450 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.937 -1.942 6.604 1.00 0.00 H new ATOM 0 HG LEU A 14 11.509 -1.455 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.295 -0.703 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.108 -2.450 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.781 -1.337 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.570 0.841 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.081 0.261 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.623 0.235 6.117 1.00 0.00 H new ATOM 228 N LEU A 15 11.268 -4.299 3.375 1.00 0.00 N ATOM 229 CA LEU A 15 11.293 -4.971 2.080 1.00 0.00 C ATOM 230 C LEU A 15 11.276 -6.490 2.267 1.00 0.00 C ATOM 231 O LEU A 15 10.836 -7.235 1.393 1.00 0.00 O ATOM 232 CB LEU A 15 12.552 -4.548 1.309 1.00 0.00 C ATOM 233 CG LEU A 15 12.344 -4.184 -0.163 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.617 -3.584 -0.736 1.00 0.00 C ATOM 235 CD2 LEU A 15 11.929 -5.404 -0.973 1.00 0.00 C ATOM 0 H LEU A 15 12.079 -3.705 3.545 1.00 0.00 H new ATOM 0 HA LEU A 15 10.408 -4.684 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.994 -3.690 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.278 -5.360 1.363 1.00 0.00 H new ATOM 0 HG LEU A 15 11.543 -3.447 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.459 -3.328 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.878 -2.685 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.428 -4.308 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.788 -5.118 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.706 -6.166 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.995 -5.804 -0.577 1.00 0.00 H new ATOM 247 N THR A 16 11.763 -6.938 3.417 1.00 0.00 N ATOM 248 CA THR A 16 11.840 -8.355 3.730 1.00 0.00 C ATOM 249 C THR A 16 10.446 -9.004 3.816 1.00 0.00 C ATOM 250 O THR A 16 10.300 -10.206 3.579 1.00 0.00 O ATOM 251 CB THR A 16 12.597 -8.567 5.059 1.00 0.00 C ATOM 252 OG1 THR A 16 13.860 -7.881 5.023 1.00 0.00 O ATOM 253 CG2 THR A 16 12.835 -10.045 5.331 1.00 0.00 C ATOM 0 H THR A 16 12.114 -6.329 4.156 1.00 0.00 H new ATOM 0 HA THR A 16 12.382 -8.838 2.917 1.00 0.00 H new ATOM 0 HB THR A 16 11.979 -8.162 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.332 -8.020 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.370 -10.160 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.878 -10.563 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.428 -10.473 4.523 1.00 0.00 H new ATOM 261 N ARG A 17 9.416 -8.223 4.139 1.00 0.00 N ATOM 262 CA ARG A 17 8.089 -8.799 4.324 1.00 0.00 C ATOM 263 C ARG A 17 6.966 -7.905 3.792 1.00 0.00 C ATOM 264 O ARG A 17 6.590 -6.911 4.417 1.00 0.00 O ATOM 265 CB ARG A 17 7.846 -9.126 5.803 1.00 0.00 C ATOM 266 CG ARG A 17 8.074 -7.958 6.753 1.00 0.00 C ATOM 267 CD ARG A 17 7.622 -8.299 8.162 1.00 0.00 C ATOM 268 NE ARG A 17 6.196 -8.611 8.214 1.00 0.00 N ATOM 269 CZ ARG A 17 5.623 -9.336 9.172 1.00 0.00 C ATOM 270 NH1 ARG A 17 6.344 -9.808 10.181 1.00 0.00 N ATOM 271 NH2 ARG A 17 4.320 -9.582 9.118 1.00 0.00 N ATOM 0 H ARG A 17 9.473 -7.214 4.275 1.00 0.00 H new ATOM 0 HA ARG A 17 8.068 -9.717 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.821 -9.479 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.501 -9.947 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.132 -7.694 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.530 -7.084 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.194 -9.150 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.835 -7.460 8.825 1.00 0.00 H new ATOM 0 HE ARG A 17 5.601 -8.250 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.345 -9.616 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.897 -10.363 10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.764 -9.216 8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.875 -10.137 9.849 1.00 0.00 H new ATOM 285 N GLY A 18 6.449 -8.256 2.623 1.00 0.00 N ATOM 286 CA GLY A 18 5.226 -7.646 2.134 1.00 0.00 C ATOM 287 C GLY A 18 5.463 -6.490 1.184 1.00 0.00 C ATOM 288 O GLY A 18 4.722 -6.319 0.218 1.00 0.00 O ATOM 0 H GLY A 18 6.856 -8.955 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.629 -8.404 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.641 -7.293 2.983 1.00 0.00 H new ATOM 292 N TRP A 19 6.486 -5.696 1.464 1.00 0.00 N ATOM 293 CA TRP A 19 6.774 -4.508 0.672 1.00 0.00 C ATOM 294 C TRP A 19 7.757 -4.810 -0.448 1.00 0.00 C ATOM 295 O TRP A 19 8.704 -5.574 -0.271 1.00 0.00 O ATOM 296 CB TRP A 19 7.334 -3.400 1.563 1.00 0.00 C ATOM 297 CG TRP A 19 6.305 -2.759 2.442 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.399 -3.389 3.246 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.084 -1.355 2.611 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.620 -2.463 3.893 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.022 -1.210 3.523 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.677 -0.207 2.079 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.543 0.036 3.913 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.201 1.030 2.467 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.144 1.142 3.377 1.00 0.00 C ATOM 0 H TRP A 19 7.133 -5.853 2.237 1.00 0.00 H new ATOM 0 HA TRP A 19 5.838 -4.176 0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.126 -3.813 2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.790 -2.635 0.934 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.309 -4.460 3.357 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.864 -2.675 4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.494 -0.286 1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.726 0.127 4.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.651 1.924 2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.795 2.123 3.663 1.00 0.00 H new ATOM 316 N GLN A 20 7.511 -4.210 -1.602 1.00 0.00 N ATOM 317 CA GLN A 20 8.393 -4.342 -2.748 1.00 0.00 C ATOM 318 C GLN A 20 8.293 -3.094 -3.617 1.00 0.00 C ATOM 319 O GLN A 20 7.192 -2.670 -3.970 1.00 0.00 O ATOM 320 CB GLN A 20 8.025 -5.587 -3.560 1.00 0.00 C ATOM 321 CG GLN A 20 8.890 -5.794 -4.791 1.00 0.00 C ATOM 322 CD GLN A 20 8.552 -7.073 -5.529 1.00 0.00 C ATOM 323 OE1 GLN A 20 7.695 -7.090 -6.412 1.00 0.00 O ATOM 324 NE2 GLN A 20 9.225 -8.153 -5.169 1.00 0.00 N ATOM 0 H GLN A 20 6.696 -3.620 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 20 9.420 -4.451 -2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.106 -6.465 -2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.982 -5.513 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.766 -4.946 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.939 -5.816 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.927 -8.094 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.042 -9.045 -5.629 1.00 0.00 H new ATOM 333 N PRO A 21 9.430 -2.469 -3.948 1.00 0.00 N ATOM 334 CA PRO A 21 9.457 -1.290 -4.810 1.00 0.00 C ATOM 335 C PRO A 21 9.216 -1.660 -6.272 1.00 0.00 C ATOM 336 O PRO A 21 10.000 -2.396 -6.875 1.00 0.00 O ATOM 337 CB PRO A 21 10.868 -0.715 -4.620 1.00 0.00 C ATOM 338 CG PRO A 21 11.514 -1.542 -3.551 1.00 0.00 C ATOM 339 CD PRO A 21 10.776 -2.849 -3.516 1.00 0.00 C ATOM 0 HA PRO A 21 8.673 -0.578 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.437 -0.765 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.825 0.334 -4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.571 -1.699 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.458 -1.039 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.223 -3.585 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.773 -3.286 -2.517 1.00 0.00 H new ATOM 347 N VAL A 22 8.121 -1.158 -6.826 1.00 0.00 N ATOM 348 CA VAL A 22 7.726 -1.489 -8.190 1.00 0.00 C ATOM 349 C VAL A 22 7.902 -0.304 -9.132 1.00 0.00 C ATOM 350 O VAL A 22 8.482 0.721 -8.766 1.00 0.00 O ATOM 351 CB VAL A 22 6.268 -1.991 -8.253 1.00 0.00 C ATOM 352 CG1 VAL A 22 6.151 -3.352 -7.592 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.324 -0.993 -7.598 1.00 0.00 C ATOM 0 H VAL A 22 7.487 -0.517 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 22 8.386 -2.292 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 22 5.982 -2.088 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.117 -3.694 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.795 -4.064 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.457 -3.277 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.302 -1.368 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.604 -0.859 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.389 -0.037 -8.117 1.00 0.00 H new ATOM 363 N GLU A 23 7.384 -0.452 -10.343 1.00 0.00 N ATOM 364 CA GLU A 23 7.625 0.502 -11.417 1.00 0.00 C ATOM 365 C GLU A 23 6.360 0.688 -12.248 1.00 0.00 C ATOM 366 O GLU A 23 5.298 0.187 -11.881 1.00 0.00 O ATOM 367 CB GLU A 23 8.761 0.001 -12.309 1.00 0.00 C ATOM 368 CG GLU A 23 10.083 -0.180 -11.585 1.00 0.00 C ATOM 369 CD GLU A 23 11.093 -0.948 -12.412 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.732 -0.341 -13.298 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.239 -2.168 -12.193 1.00 0.00 O ATOM 0 H GLU A 23 6.786 -1.235 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 23 7.906 1.461 -10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.468 -0.951 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.902 0.704 -13.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.493 0.798 -11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.911 -0.706 -10.646 1.00 0.00 H new ATOM 378 N ALA A 24 6.481 1.376 -13.375 1.00 0.00 N ATOM 379 CA ALA A 24 5.329 1.668 -14.214 1.00 0.00 C ATOM 380 C ALA A 24 5.325 0.815 -15.480 1.00 0.00 C ATOM 381 O ALA A 24 4.335 0.160 -15.788 1.00 0.00 O ATOM 382 CB ALA A 24 5.298 3.142 -14.577 1.00 0.00 C ATOM 0 H ALA A 24 7.365 1.742 -13.728 1.00 0.00 H new ATOM 0 HA ALA A 24 4.434 1.422 -13.642 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.430 3.344 -15.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.235 3.739 -13.668 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.207 3.402 -15.120 1.00 0.00 H new ATOM 388 N SER A 25 6.446 0.798 -16.192 1.00 0.00 N ATOM 389 CA SER A 25 6.536 0.092 -17.470 1.00 0.00 C ATOM 390 C SER A 25 6.548 -1.430 -17.287 1.00 0.00 C ATOM 391 O SER A 25 6.638 -2.176 -18.258 1.00 0.00 O ATOM 392 CB SER A 25 7.785 0.545 -18.232 1.00 0.00 C ATOM 393 OG SER A 25 7.727 1.934 -18.524 1.00 0.00 O ATOM 0 H SER A 25 7.307 1.265 -15.908 1.00 0.00 H new ATOM 0 HA SER A 25 5.647 0.342 -18.048 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.674 0.331 -17.639 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.876 -0.022 -19.159 1.00 0.00 H new ATOM 0 HG SER A 25 8.536 2.200 -19.009 1.00 0.00 H new ATOM 399 N THR A 26 6.453 -1.884 -16.044 1.00 0.00 N ATOM 400 CA THR A 26 6.441 -3.310 -15.759 1.00 0.00 C ATOM 401 C THR A 26 5.383 -3.647 -14.705 1.00 0.00 C ATOM 402 O THR A 26 5.358 -4.757 -14.167 1.00 0.00 O ATOM 403 CB THR A 26 7.835 -3.793 -15.289 1.00 0.00 C ATOM 404 OG1 THR A 26 7.822 -5.202 -15.022 1.00 0.00 O ATOM 405 CG2 THR A 26 8.278 -3.045 -14.042 1.00 0.00 C ATOM 0 H THR A 26 6.383 -1.286 -15.220 1.00 0.00 H new ATOM 0 HA THR A 26 6.189 -3.831 -16.683 1.00 0.00 H new ATOM 0 HB THR A 26 8.542 -3.589 -16.093 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.986 -5.442 -14.570 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.260 -3.403 -13.733 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.332 -1.978 -14.258 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.560 -3.217 -13.240 1.00 0.00 H new ATOM 413 N VAL A 27 4.489 -2.702 -14.436 1.00 0.00 N ATOM 414 CA VAL A 27 3.475 -2.898 -13.406 1.00 0.00 C ATOM 415 C VAL A 27 2.407 -3.883 -13.883 1.00 0.00 C ATOM 416 O VAL A 27 1.898 -4.683 -13.100 1.00 0.00 O ATOM 417 CB VAL A 27 2.816 -1.560 -12.974 1.00 0.00 C ATOM 418 CG1 VAL A 27 1.984 -0.953 -14.095 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.975 -1.757 -11.723 1.00 0.00 C ATOM 0 H VAL A 27 4.445 -1.801 -14.912 1.00 0.00 H new ATOM 0 HA VAL A 27 3.979 -3.313 -12.533 1.00 0.00 H new ATOM 0 HB VAL A 27 3.617 -0.857 -12.747 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.540 -0.018 -13.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.622 -0.758 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.194 -1.648 -14.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.522 -0.808 -11.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.191 -2.488 -11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.608 -2.116 -10.912 1.00 0.00 H new ATOM 429 N ASP A 28 2.102 -3.835 -15.179 1.00 0.00 N ATOM 430 CA ASP A 28 1.118 -4.731 -15.785 1.00 0.00 C ATOM 431 C ASP A 28 1.439 -6.189 -15.479 1.00 0.00 C ATOM 432 O ASP A 28 0.575 -6.945 -15.035 1.00 0.00 O ATOM 433 CB ASP A 28 1.071 -4.531 -17.305 1.00 0.00 C ATOM 434 CG ASP A 28 0.463 -3.206 -17.718 1.00 0.00 C ATOM 435 OD1 ASP A 28 0.989 -2.149 -17.310 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.536 -3.215 -18.467 1.00 0.00 O ATOM 0 H ASP A 28 2.527 -3.179 -15.835 1.00 0.00 H new ATOM 0 HA ASP A 28 0.146 -4.488 -15.357 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.083 -4.598 -17.705 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.497 -5.342 -17.753 1.00 0.00 H new ATOM 441 N ASP A 29 2.694 -6.571 -15.695 1.00 0.00 N ATOM 442 CA ASP A 29 3.113 -7.954 -15.496 1.00 0.00 C ATOM 443 C ASP A 29 3.086 -8.321 -14.023 1.00 0.00 C ATOM 444 O ASP A 29 2.757 -9.447 -13.668 1.00 0.00 O ATOM 445 CB ASP A 29 4.510 -8.206 -16.069 1.00 0.00 C ATOM 446 CG ASP A 29 4.836 -9.688 -16.141 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.277 -10.375 -17.024 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.649 -10.173 -15.324 1.00 0.00 O ATOM 0 H ASP A 29 3.436 -5.945 -16.007 1.00 0.00 H new ATOM 0 HA ASP A 29 2.405 -8.586 -16.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.577 -7.771 -17.066 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.252 -7.701 -15.451 1.00 0.00 H new ATOM 453 N TRP A 30 3.417 -7.360 -13.164 1.00 0.00 N ATOM 454 CA TRP A 30 3.393 -7.593 -11.724 1.00 0.00 C ATOM 455 C TRP A 30 1.978 -7.928 -11.272 1.00 0.00 C ATOM 456 O TRP A 30 1.751 -8.920 -10.575 1.00 0.00 O ATOM 457 CB TRP A 30 3.908 -6.368 -10.961 1.00 0.00 C ATOM 458 CG TRP A 30 4.074 -6.611 -9.486 1.00 0.00 C ATOM 459 CD1 TRP A 30 5.202 -7.053 -8.856 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.086 -6.435 -8.460 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.975 -7.164 -7.505 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.685 -6.793 -7.237 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.753 -6.013 -8.456 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.000 -6.739 -6.027 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.074 -5.962 -7.253 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.698 -6.323 -6.052 1.00 0.00 C ATOM 0 H TRP A 30 3.703 -6.420 -13.438 1.00 0.00 H new ATOM 0 HA TRP A 30 4.050 -8.435 -11.505 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.866 -6.063 -11.382 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.216 -5.539 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.136 -7.282 -9.348 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.658 -7.473 -6.813 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.263 -5.732 -9.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.480 -7.016 -5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.044 -5.638 -7.239 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.140 -6.272 -5.129 1.00 0.00 H new ATOM 477 N ILE A 31 1.027 -7.101 -11.695 1.00 0.00 N ATOM 478 CA ILE A 31 -0.375 -7.299 -11.356 1.00 0.00 C ATOM 479 C ILE A 31 -0.873 -8.627 -11.915 1.00 0.00 C ATOM 480 O ILE A 31 -1.560 -9.379 -11.231 1.00 0.00 O ATOM 481 CB ILE A 31 -1.250 -6.151 -11.903 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.699 -4.804 -11.437 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.696 -6.317 -11.448 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.274 -3.625 -12.188 1.00 0.00 C ATOM 0 H ILE A 31 1.205 -6.283 -12.277 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.454 -7.309 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.226 -6.184 -12.992 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.907 -4.684 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.385 -4.804 -11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.298 -5.499 -11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.087 -7.266 -11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.738 -6.306 -10.359 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.838 -2.702 -11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.044 -3.722 -13.249 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.355 -3.599 -12.052 1.00 0.00 H new ATOM 496 N LYS A 32 -0.495 -8.910 -13.154 1.00 0.00 N ATOM 497 CA LYS A 32 -0.860 -10.156 -13.822 1.00 0.00 C ATOM 498 C LYS A 32 -0.270 -11.362 -13.081 1.00 0.00 C ATOM 499 O LYS A 32 -0.911 -12.404 -12.952 1.00 0.00 O ATOM 500 CB LYS A 32 -0.349 -10.099 -15.273 1.00 0.00 C ATOM 501 CG LYS A 32 -0.756 -11.266 -16.171 1.00 0.00 C ATOM 502 CD LYS A 32 0.097 -12.512 -15.950 1.00 0.00 C ATOM 503 CE LYS A 32 1.588 -12.218 -16.076 1.00 0.00 C ATOM 504 NZ LYS A 32 1.953 -11.703 -17.421 1.00 0.00 N ATOM 0 H LYS A 32 0.073 -8.284 -13.726 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.944 -10.273 -13.820 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.706 -9.175 -15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.739 -10.044 -15.252 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.802 -11.511 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.678 -10.959 -17.214 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.109 -12.921 -14.961 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.184 -13.276 -16.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.877 -11.488 -15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.153 -13.128 -15.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.970 -11.487 -17.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.735 -12.423 -18.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.410 -10.839 -17.621 1.00 0.00 H new ATOM 518 N ARG A 33 0.952 -11.200 -12.589 1.00 0.00 N ATOM 519 CA ARG A 33 1.698 -12.296 -11.975 1.00 0.00 C ATOM 520 C ARG A 33 1.059 -12.723 -10.666 1.00 0.00 C ATOM 521 O ARG A 33 0.886 -13.913 -10.402 1.00 0.00 O ATOM 522 CB ARG A 33 3.137 -11.843 -11.713 1.00 0.00 C ATOM 523 CG ARG A 33 4.131 -12.972 -11.456 1.00 0.00 C ATOM 524 CD ARG A 33 4.016 -13.525 -10.043 1.00 0.00 C ATOM 525 NE ARG A 33 4.969 -14.600 -9.788 1.00 0.00 N ATOM 526 CZ ARG A 33 4.764 -15.578 -8.899 1.00 0.00 C ATOM 527 NH1 ARG A 33 3.621 -15.636 -8.221 1.00 0.00 N ATOM 528 NH2 ARG A 33 5.696 -16.499 -8.699 1.00 0.00 N ATOM 0 H ARG A 33 1.453 -10.312 -12.603 1.00 0.00 H new ATOM 0 HA ARG A 33 1.689 -13.146 -12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.481 -11.264 -12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.140 -11.173 -10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.961 -13.774 -12.174 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.145 -12.606 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.180 -12.720 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.003 -13.895 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 33 5.841 -14.606 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.898 -14.934 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.467 -16.383 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.570 -16.462 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.539 -17.245 -8.021 1.00 0.00 H new ATOM 542 N VAL A 34 0.722 -11.746 -9.847 1.00 0.00 N ATOM 543 CA VAL A 34 0.189 -12.022 -8.518 1.00 0.00 C ATOM 544 C VAL A 34 -1.342 -12.058 -8.522 1.00 0.00 C ATOM 545 O VAL A 34 -1.952 -12.923 -7.894 1.00 0.00 O ATOM 546 CB VAL A 34 0.713 -10.999 -7.479 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.231 -11.071 -7.393 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.275 -9.579 -7.813 1.00 0.00 C ATOM 0 H VAL A 34 0.806 -10.755 -10.073 1.00 0.00 H new ATOM 0 HA VAL A 34 0.543 -13.011 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 34 0.282 -11.260 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.589 -10.348 -6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.531 -12.074 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.662 -10.843 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.663 -8.892 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.662 -9.300 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.814 -9.527 -7.825 1.00 0.00 H new ATOM 558 N GLY A 35 -1.949 -11.118 -9.230 1.00 0.00 N ATOM 559 CA GLY A 35 -3.397 -11.080 -9.363 1.00 0.00 C ATOM 560 C GLY A 35 -4.100 -10.635 -8.096 1.00 0.00 C ATOM 561 O GLY A 35 -5.329 -10.651 -8.021 1.00 0.00 O ATOM 0 H GLY A 35 -1.460 -10.370 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.663 -10.404 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.756 -12.071 -9.642 1.00 0.00 H new ATOM 565 N ASP A 36 -3.322 -10.224 -7.110 1.00 0.00 N ATOM 566 CA ASP A 36 -3.861 -9.871 -5.809 1.00 0.00 C ATOM 567 C ASP A 36 -2.860 -9.006 -5.050 1.00 0.00 C ATOM 568 O ASP A 36 -1.836 -9.498 -4.572 1.00 0.00 O ATOM 569 CB ASP A 36 -4.175 -11.155 -5.031 1.00 0.00 C ATOM 570 CG ASP A 36 -4.894 -10.907 -3.724 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.129 -10.711 -3.750 1.00 0.00 O ATOM 572 OD2 ASP A 36 -4.236 -10.946 -2.669 1.00 0.00 O ATOM 0 H ASP A 36 -2.310 -10.126 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.780 -9.298 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.786 -11.808 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.244 -11.685 -4.830 1.00 0.00 H new ATOM 577 N GLY A 37 -3.134 -7.710 -4.983 1.00 0.00 N ATOM 578 CA GLY A 37 -2.229 -6.798 -4.312 1.00 0.00 C ATOM 579 C GLY A 37 -2.554 -5.344 -4.591 1.00 0.00 C ATOM 580 O GLY A 37 -3.552 -5.037 -5.242 1.00 0.00 O ATOM 0 H GLY A 37 -3.966 -7.274 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.270 -6.976 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.207 -7.006 -4.630 1.00 0.00 H new ATOM 584 N VAL A 38 -1.706 -4.449 -4.103 1.00 0.00 N ATOM 585 CA VAL A 38 -1.924 -3.017 -4.262 1.00 0.00 C ATOM 586 C VAL A 38 -0.635 -2.312 -4.678 1.00 0.00 C ATOM 587 O VAL A 38 0.460 -2.749 -4.321 1.00 0.00 O ATOM 588 CB VAL A 38 -2.444 -2.368 -2.957 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.808 -2.920 -2.582 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.459 -2.576 -1.812 1.00 0.00 C ATOM 0 H VAL A 38 -0.857 -4.690 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.677 -2.901 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.542 -1.297 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.151 -2.448 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.517 -2.712 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.736 -3.997 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.849 -2.110 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.321 -3.643 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.501 -2.123 -2.069 1.00 0.00 H new ATOM 600 N ILE A 39 -0.772 -1.236 -5.446 1.00 0.00 N ATOM 601 CA ILE A 39 0.363 -0.381 -5.783 1.00 0.00 C ATOM 602 C ILE A 39 0.230 0.954 -5.049 1.00 0.00 C ATOM 603 O ILE A 39 -0.764 1.672 -5.204 1.00 0.00 O ATOM 604 CB ILE A 39 0.510 -0.133 -7.315 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.178 -1.329 -8.019 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.310 1.134 -7.592 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.305 -2.561 -8.111 1.00 0.00 C ATOM 0 H ILE A 39 -1.659 -0.934 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 39 1.265 -0.904 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.497 -0.012 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.469 -1.028 -9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.093 -1.585 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.396 1.282 -8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.801 1.990 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.305 1.038 -7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.850 -3.356 -8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.035 -2.891 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.600 -2.325 -8.671 1.00 0.00 H new ATOM 619 N LEU A 40 1.222 1.258 -4.230 1.00 0.00 N ATOM 620 CA LEU A 40 1.235 2.474 -3.436 1.00 0.00 C ATOM 621 C LEU A 40 2.026 3.556 -4.163 1.00 0.00 C ATOM 622 O LEU A 40 3.218 3.393 -4.435 1.00 0.00 O ATOM 623 CB LEU A 40 1.866 2.180 -2.068 1.00 0.00 C ATOM 624 CG LEU A 40 1.347 3.011 -0.885 1.00 0.00 C ATOM 625 CD1 LEU A 40 1.999 2.542 0.406 1.00 0.00 C ATOM 626 CD2 LEU A 40 1.604 4.495 -1.092 1.00 0.00 C ATOM 0 H LEU A 40 2.043 0.667 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 40 0.214 2.828 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.711 1.126 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.942 2.334 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 40 0.269 2.865 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.625 3.137 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.760 1.492 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.080 2.661 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.224 5.053 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.676 4.668 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.097 4.829 -1.997 1.00 0.00 H new ATOM 638 N LEU A 41 1.355 4.652 -4.486 1.00 0.00 N ATOM 639 CA LEU A 41 1.998 5.771 -5.158 1.00 0.00 C ATOM 640 C LEU A 41 2.736 6.638 -4.149 1.00 0.00 C ATOM 641 O LEU A 41 2.239 6.873 -3.048 1.00 0.00 O ATOM 642 CB LEU A 41 0.967 6.622 -5.908 1.00 0.00 C ATOM 643 CG LEU A 41 0.525 6.098 -7.281 1.00 0.00 C ATOM 644 CD1 LEU A 41 -0.103 4.717 -7.175 1.00 0.00 C ATOM 645 CD2 LEU A 41 -0.452 7.071 -7.921 1.00 0.00 C ATOM 0 H LEU A 41 0.363 4.790 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 41 2.710 5.368 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.083 6.722 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.379 7.622 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 41 1.412 6.013 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.404 4.377 -8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.622 4.019 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.978 4.764 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.760 6.690 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.328 7.181 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.030 8.041 -8.046 1.00 0.00 H new ATOM 657 N SER A 42 3.919 7.102 -4.527 1.00 0.00 N ATOM 658 CA SER A 42 4.716 7.969 -3.673 1.00 0.00 C ATOM 659 C SER A 42 3.941 9.249 -3.358 1.00 0.00 C ATOM 660 O SER A 42 3.165 9.729 -4.182 1.00 0.00 O ATOM 661 CB SER A 42 6.036 8.305 -4.367 1.00 0.00 C ATOM 662 OG SER A 42 6.621 7.141 -4.934 1.00 0.00 O ATOM 0 H SER A 42 4.350 6.890 -5.427 1.00 0.00 H new ATOM 0 HA SER A 42 4.930 7.453 -2.737 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.863 9.047 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.725 8.751 -3.650 1.00 0.00 H new ATOM 0 HG SER A 42 6.794 6.484 -4.227 1.00 0.00 H new ATOM 863 N VAL A 56 3.934 3.426 7.520 1.00 0.00 N ATOM 864 CA VAL A 56 3.882 2.229 8.345 1.00 0.00 C ATOM 865 C VAL A 56 2.434 1.777 8.532 1.00 0.00 C ATOM 866 O VAL A 56 2.163 0.594 8.730 1.00 0.00 O ATOM 867 CB VAL A 56 4.542 2.469 9.722 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.651 1.175 10.508 1.00 0.00 C ATOM 869 CG2 VAL A 56 5.916 3.104 9.556 1.00 0.00 C ATOM 0 HA VAL A 56 4.439 1.445 7.832 1.00 0.00 H new ATOM 0 HB VAL A 56 3.906 3.155 10.282 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.119 1.373 11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.655 0.760 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.257 0.461 9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.363 3.265 10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.554 2.443 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.815 4.060 9.042 1.00 0.00 H new ATOM 879 N MET A 57 1.507 2.730 8.440 1.00 0.00 N ATOM 880 CA MET A 57 0.081 2.430 8.536 1.00 0.00 C ATOM 881 C MET A 57 -0.345 1.399 7.493 1.00 0.00 C ATOM 882 O MET A 57 -1.175 0.536 7.775 1.00 0.00 O ATOM 883 CB MET A 57 -0.762 3.698 8.385 1.00 0.00 C ATOM 884 CG MET A 57 -0.729 4.594 9.611 1.00 0.00 C ATOM 885 SD MET A 57 -1.782 6.046 9.437 1.00 0.00 S ATOM 886 CE MET A 57 -1.616 6.778 11.066 1.00 0.00 C ATOM 0 H MET A 57 1.720 3.718 8.299 1.00 0.00 H new ATOM 0 HA MET A 57 -0.090 2.010 9.527 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.406 4.262 7.523 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.794 3.416 8.178 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.046 4.022 10.483 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.297 4.914 9.795 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.212 7.689 11.118 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.966 6.072 11.819 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.569 7.018 11.252 1.00 0.00 H new ATOM 896 N ILE A 58 0.231 1.477 6.294 1.00 0.00 N ATOM 897 CA ILE A 58 -0.096 0.520 5.243 1.00 0.00 C ATOM 898 C ILE A 58 0.378 -0.874 5.643 1.00 0.00 C ATOM 899 O ILE A 58 -0.328 -1.866 5.449 1.00 0.00 O ATOM 900 CB ILE A 58 0.520 0.899 3.875 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.019 2.244 3.382 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.240 -0.178 2.837 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.872 3.422 3.707 1.00 0.00 C ATOM 0 H ILE A 58 0.917 2.184 6.030 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.180 0.535 5.128 1.00 0.00 H new ATOM 0 HB ILE A 58 1.598 0.984 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.158 2.194 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.002 2.413 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.683 0.111 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.673 -1.122 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.837 -0.295 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.420 4.337 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.991 3.501 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.848 3.279 3.244 1.00 0.00 H new ATOM 915 N ALA A 59 1.571 -0.937 6.226 1.00 0.00 N ATOM 916 CA ALA A 59 2.122 -2.195 6.715 1.00 0.00 C ATOM 917 C ALA A 59 1.280 -2.725 7.871 1.00 0.00 C ATOM 918 O ALA A 59 1.084 -3.933 8.012 1.00 0.00 O ATOM 919 CB ALA A 59 3.573 -2.013 7.141 1.00 0.00 C ATOM 0 H ALA A 59 2.176 -0.129 6.371 1.00 0.00 H new ATOM 0 HA ALA A 59 2.096 -2.926 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.968 -2.962 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.163 -1.676 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.628 -1.270 7.937 1.00 0.00 H new ATOM 925 N GLU A 60 0.781 -1.806 8.689 1.00 0.00 N ATOM 926 CA GLU A 60 -0.096 -2.154 9.797 1.00 0.00 C ATOM 927 C GLU A 60 -1.371 -2.800 9.260 1.00 0.00 C ATOM 928 O GLU A 60 -1.711 -3.923 9.628 1.00 0.00 O ATOM 929 CB GLU A 60 -0.433 -0.897 10.608 1.00 0.00 C ATOM 930 CG GLU A 60 -1.094 -1.181 11.946 1.00 0.00 C ATOM 931 CD GLU A 60 -0.166 -1.890 12.909 1.00 0.00 C ATOM 932 OE1 GLU A 60 0.597 -1.207 13.622 1.00 0.00 O ATOM 933 OE2 GLU A 60 -0.190 -3.134 12.962 1.00 0.00 O ATOM 0 H GLU A 60 0.971 -0.808 8.603 1.00 0.00 H new ATOM 0 HA GLU A 60 0.410 -2.865 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.483 -0.332 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.093 -0.262 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.427 -0.243 12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.983 -1.791 11.787 1.00 0.00 H new ATOM 940 N LEU A 61 -2.032 -2.095 8.346 1.00 0.00 N ATOM 941 CA LEU A 61 -3.256 -2.578 7.706 1.00 0.00 C ATOM 942 C LEU A 61 -3.058 -3.954 7.085 1.00 0.00 C ATOM 943 O LEU A 61 -3.908 -4.834 7.221 1.00 0.00 O ATOM 944 CB LEU A 61 -3.693 -1.606 6.611 1.00 0.00 C ATOM 945 CG LEU A 61 -4.820 -0.639 6.975 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.067 -1.403 7.391 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.370 0.321 8.067 1.00 0.00 C ATOM 0 H LEU A 61 -1.736 -1.173 8.027 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.021 -2.648 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.825 -1.021 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.007 -2.186 5.743 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.069 -0.049 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.858 -0.698 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.397 -2.036 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.841 -2.024 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.186 1.001 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.089 -0.244 8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.512 0.895 7.716 1.00 0.00 H new ATOM 959 N LEU A 62 -1.936 -4.113 6.397 1.00 0.00 N ATOM 960 CA LEU A 62 -1.592 -5.355 5.710 1.00 0.00 C ATOM 961 C LEU A 62 -1.787 -6.582 6.607 1.00 0.00 C ATOM 962 O LEU A 62 -2.396 -7.570 6.195 1.00 0.00 O ATOM 963 CB LEU A 62 -0.140 -5.288 5.223 1.00 0.00 C ATOM 964 CG LEU A 62 0.341 -6.495 4.415 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.477 -6.644 3.143 1.00 0.00 C ATOM 966 CD2 LEU A 62 1.821 -6.361 4.085 1.00 0.00 C ATOM 0 H LEU A 62 -1.233 -3.381 6.298 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.265 -5.463 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.021 -4.393 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.510 -5.171 6.090 1.00 0.00 H new ATOM 0 HG LEU A 62 0.203 -7.391 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.121 -7.507 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.527 -6.786 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.371 -5.746 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.146 -7.228 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.983 -5.456 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.396 -6.302 5.009 1.00 0.00 H new ATOM 978 N ARG A 63 -1.279 -6.521 7.832 1.00 0.00 N ATOM 979 CA ARG A 63 -1.366 -7.655 8.743 1.00 0.00 C ATOM 980 C ARG A 63 -2.709 -7.692 9.470 1.00 0.00 C ATOM 981 O ARG A 63 -3.180 -8.759 9.861 1.00 0.00 O ATOM 982 CB ARG A 63 -0.215 -7.608 9.746 1.00 0.00 C ATOM 983 CG ARG A 63 1.150 -7.740 9.091 1.00 0.00 C ATOM 984 CD ARG A 63 2.039 -6.538 9.376 1.00 0.00 C ATOM 985 NE ARG A 63 2.457 -6.466 10.777 1.00 0.00 N ATOM 986 CZ ARG A 63 2.007 -5.564 11.646 1.00 0.00 C ATOM 987 NH1 ARG A 63 1.052 -4.716 11.291 1.00 0.00 N ATOM 988 NH2 ARG A 63 2.511 -5.519 12.873 1.00 0.00 N ATOM 0 H ARG A 63 -0.805 -5.703 8.216 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.289 -8.568 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.258 -6.668 10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.342 -8.410 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.639 -8.645 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.026 -7.852 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.922 -6.585 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.505 -5.625 9.113 1.00 0.00 H new ATOM 0 HE ARG A 63 3.136 -7.151 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.660 -4.754 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.709 -4.026 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.242 -6.175 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.167 -4.828 13.540 1.00 0.00 H new ATOM 1002 N GLU A 64 -3.333 -6.530 9.624 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.606 -6.426 10.327 1.00 0.00 C ATOM 1004 C GLU A 64 -5.778 -6.791 9.413 1.00 0.00 C ATOM 1005 O GLU A 64 -6.939 -6.719 9.817 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.784 -5.003 10.861 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.708 -4.577 11.849 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.809 -5.287 13.183 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.573 -6.513 13.239 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.109 -4.617 14.193 1.00 0.00 O ATOM 0 H GLU A 64 -2.976 -5.643 9.270 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.596 -7.131 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.788 -4.308 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.758 -4.926 11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.727 -4.771 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.778 -3.501 12.011 1.00 0.00 H new ATOM 1017 N PHE A 65 -5.471 -7.171 8.177 1.00 0.00 N ATOM 1018 CA PHE A 65 -6.498 -7.561 7.221 1.00 0.00 C ATOM 1019 C PHE A 65 -6.632 -9.082 7.180 1.00 0.00 C ATOM 1020 O PHE A 65 -5.775 -9.774 6.630 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.164 -7.025 5.826 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.325 -6.355 5.149 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -7.561 -5.002 5.337 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.178 -7.073 4.329 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.626 -4.378 4.720 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.248 -6.452 3.708 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.471 -5.101 3.903 1.00 0.00 C ATOM 0 H PHE A 65 -4.519 -7.217 7.815 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.447 -7.132 7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.341 -6.315 5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.816 -7.849 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.903 -4.429 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.007 -8.128 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.798 -3.323 4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.908 -7.022 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.304 -4.614 3.418 1.00 0.00 H new ATOM 1037 N PRO A 66 -7.707 -9.624 7.773 1.00 0.00 N ATOM 1038 CA PRO A 66 -7.921 -11.064 7.865 1.00 0.00 C ATOM 1039 C PRO A 66 -8.706 -11.635 6.684 1.00 0.00 C ATOM 1040 O PRO A 66 -8.955 -12.839 6.622 1.00 0.00 O ATOM 1041 CB PRO A 66 -8.728 -11.187 9.152 1.00 0.00 C ATOM 1042 CG PRO A 66 -9.546 -9.937 9.211 1.00 0.00 C ATOM 1043 CD PRO A 66 -8.792 -8.876 8.438 1.00 0.00 C ATOM 0 HA PRO A 66 -6.984 -11.621 7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.361 -12.074 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.076 -11.274 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.533 -10.101 8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.699 -9.625 10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.435 -8.377 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.398 -8.104 9.099 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.091 -10.773 5.751 1.00 0.00 N ATOM 1052 CA GLN A 67 -9.884 -11.203 4.605 1.00 0.00 C ATOM 1053 C GLN A 67 -9.013 -11.995 3.636 1.00 0.00 C ATOM 1054 O GLN A 67 -9.160 -13.212 3.504 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.505 -9.985 3.902 1.00 0.00 C ATOM 1056 CG GLN A 67 -11.746 -10.295 3.067 1.00 0.00 C ATOM 1057 CD GLN A 67 -11.449 -11.021 1.767 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -11.399 -12.246 1.724 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -11.271 -10.269 0.693 1.00 0.00 N ATOM 0 H GLN A 67 -8.869 -9.778 5.764 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.691 -11.847 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.767 -9.242 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.753 -9.533 3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.430 -10.901 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.262 -9.362 2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.320 -9.253 0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.085 -10.705 -0.210 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.083 -11.310 2.991 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.229 -11.942 1.998 1.00 0.00 C ATOM 1070 C PHE A 68 -5.785 -11.485 2.147 1.00 0.00 C ATOM 1071 O PHE A 68 -5.504 -10.477 2.797 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.747 -11.693 0.567 1.00 0.00 C ATOM 1073 CG PHE A 68 -7.926 -10.246 0.148 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.016 -9.213 1.072 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -8.035 -9.937 -1.198 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.208 -7.908 0.660 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -8.222 -8.634 -1.615 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.312 -7.619 -0.687 1.00 0.00 C ATOM 0 H PHE A 68 -7.900 -10.317 3.137 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.260 -13.017 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.057 -12.166 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.706 -12.199 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.935 -9.433 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.973 -10.727 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.277 -7.115 1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.298 -8.410 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.463 -6.600 -1.012 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.882 -12.236 1.537 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.454 -12.005 1.686 1.00 0.00 C ATOM 1090 C ASP A 69 -2.898 -11.294 0.462 1.00 0.00 C ATOM 1091 O ASP A 69 -2.338 -11.919 -0.436 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.737 -13.340 1.908 1.00 0.00 C ATOM 1093 CG ASP A 69 -1.226 -13.216 1.933 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -0.692 -12.498 2.804 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -0.565 -13.856 1.088 1.00 0.00 O ATOM 0 H ASP A 69 -5.117 -13.019 0.927 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.286 -11.365 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.074 -13.773 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.024 -14.034 1.118 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.094 -9.986 0.419 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.612 -9.174 -0.689 1.00 0.00 C ATOM 1102 C TRP A 70 -1.194 -8.676 -0.427 1.00 0.00 C ATOM 1103 O TRP A 70 -0.684 -8.772 0.692 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.563 -7.996 -0.977 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.964 -7.169 0.219 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.546 -7.302 1.516 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.884 -6.069 0.211 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.151 -6.357 2.308 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.976 -5.588 1.531 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.639 -5.444 -0.787 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.790 -4.514 1.876 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.448 -4.377 -0.442 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.516 -3.923 0.880 1.00 0.00 C ATOM 0 H TRP A 70 -3.586 -9.461 1.142 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.590 -9.808 -1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.088 -7.340 -1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.467 -8.389 -1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.842 -8.043 1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.009 -6.246 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.591 -5.789 -1.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.846 -4.160 2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.036 -3.887 -1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.157 -3.087 1.119 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.557 -8.158 -1.465 1.00 0.00 N ATOM 1125 CA GLN A 71 0.832 -7.726 -1.378 1.00 0.00 C ATOM 1126 C GLN A 71 0.940 -6.220 -1.593 1.00 0.00 C ATOM 1127 O GLN A 71 0.200 -5.647 -2.393 1.00 0.00 O ATOM 1128 CB GLN A 71 1.664 -8.488 -2.413 1.00 0.00 C ATOM 1129 CG GLN A 71 1.554 -9.996 -2.258 1.00 0.00 C ATOM 1130 CD GLN A 71 2.103 -10.754 -3.447 1.00 0.00 C ATOM 1131 OE1 GLN A 71 1.244 -11.044 -4.415 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 3.286 -11.078 -3.499 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.981 -8.025 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 71 1.217 -7.946 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.339 -8.205 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.709 -8.193 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.089 -10.303 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.508 -10.266 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.915 -10.836 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.640 -11.589 -4.308 1.00 0.00 H new ATOM 1141 N VAL A 72 1.854 -5.583 -0.873 1.00 0.00 N ATOM 1142 CA VAL A 72 1.994 -4.134 -0.928 1.00 0.00 C ATOM 1143 C VAL A 72 3.194 -3.729 -1.775 1.00 0.00 C ATOM 1144 O VAL A 72 4.342 -3.806 -1.337 1.00 0.00 O ATOM 1145 CB VAL A 72 2.134 -3.516 0.482 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.283 -2.005 0.399 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.940 -3.875 1.352 1.00 0.00 C ATOM 0 H VAL A 72 2.509 -6.047 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 72 1.083 -3.751 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 72 3.033 -3.930 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.380 -1.593 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.172 -1.758 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.404 -1.579 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.062 -3.429 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.028 -3.495 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.874 -4.959 1.449 1.00 0.00 H new ATOM 1157 N ALA A 73 2.919 -3.315 -2.995 1.00 0.00 N ATOM 1158 CA ALA A 73 3.953 -2.834 -3.884 1.00 0.00 C ATOM 1159 C ALA A 73 4.017 -1.319 -3.812 1.00 0.00 C ATOM 1160 O ALA A 73 3.009 -0.645 -3.994 1.00 0.00 O ATOM 1161 CB ALA A 73 3.679 -3.297 -5.303 1.00 0.00 C ATOM 0 H ALA A 73 1.981 -3.303 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 73 4.916 -3.241 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.464 -2.929 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.661 -4.386 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.715 -2.909 -5.633 1.00 0.00 H new ATOM 1167 N VAL A 74 5.191 -0.783 -3.544 1.00 0.00 N ATOM 1168 CA VAL A 74 5.332 0.649 -3.326 1.00 0.00 C ATOM 1169 C VAL A 74 6.262 1.272 -4.360 1.00 0.00 C ATOM 1170 O VAL A 74 7.173 0.615 -4.868 1.00 0.00 O ATOM 1171 CB VAL A 74 5.852 0.951 -1.895 1.00 0.00 C ATOM 1172 CG1 VAL A 74 4.899 0.382 -0.854 1.00 0.00 C ATOM 1173 CG2 VAL A 74 7.259 0.397 -1.695 1.00 0.00 C ATOM 0 H VAL A 74 6.060 -1.312 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 74 4.342 1.093 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 74 5.897 2.033 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.277 0.602 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.915 0.834 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.822 -0.698 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.599 0.623 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.249 -0.683 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.936 0.855 -2.416 1.00 0.00 H new ATOM 1183 N ALA A 75 6.006 2.527 -4.697 1.00 0.00 N ATOM 1184 CA ALA A 75 6.859 3.257 -5.620 1.00 0.00 C ATOM 1185 C ALA A 75 7.875 4.091 -4.846 1.00 0.00 C ATOM 1186 O ALA A 75 7.536 4.691 -3.829 1.00 0.00 O ATOM 1187 CB ALA A 75 6.022 4.138 -6.534 1.00 0.00 C ATOM 0 H ALA A 75 5.212 3.061 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 75 7.399 2.542 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.676 4.677 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.332 3.517 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.457 4.852 -5.934 1.00 0.00 H new ATOM 1193 N ASP A 76 9.115 4.119 -5.337 1.00 0.00 N ATOM 1194 CA ASP A 76 10.209 4.810 -4.645 1.00 0.00 C ATOM 1195 C ASP A 76 9.918 6.309 -4.527 1.00 0.00 C ATOM 1196 O ASP A 76 9.622 6.804 -3.440 1.00 0.00 O ATOM 1197 CB ASP A 76 11.533 4.578 -5.377 1.00 0.00 C ATOM 1198 CG ASP A 76 12.744 4.778 -4.481 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.206 5.925 -4.333 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.261 3.775 -3.943 1.00 0.00 O ATOM 0 H ASP A 76 9.389 3.671 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 76 10.290 4.399 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.548 3.565 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.598 5.259 -6.226 1.00 0.00 H new ATOM 1205 N LEU A 77 9.990 7.034 -5.645 1.00 0.00 N ATOM 1206 CA LEU A 77 9.622 8.450 -5.648 1.00 0.00 C ATOM 1207 C LEU A 77 9.175 8.918 -7.040 1.00 0.00 C ATOM 1208 O LEU A 77 8.008 9.253 -7.236 1.00 0.00 O ATOM 1209 CB LEU A 77 10.757 9.342 -5.091 1.00 0.00 C ATOM 1210 CG LEU A 77 11.999 9.560 -5.974 1.00 0.00 C ATOM 1211 CD1 LEU A 77 12.924 10.576 -5.330 1.00 0.00 C ATOM 1212 CD2 LEU A 77 12.748 8.261 -6.226 1.00 0.00 C ATOM 0 H LEU A 77 10.295 6.670 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 77 8.769 8.556 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.333 10.320 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.089 8.910 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 77 11.657 9.938 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.800 10.723 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.398 11.523 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.240 10.212 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.618 8.458 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.074 7.839 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.090 7.554 -6.730 1.00 0.00 H new ATOM 1224 N GLU A 78 10.089 8.912 -8.007 1.00 0.00 N ATOM 1225 CA GLU A 78 9.791 9.379 -9.362 1.00 0.00 C ATOM 1226 C GLU A 78 8.762 8.477 -10.035 1.00 0.00 C ATOM 1227 O GLU A 78 7.932 8.936 -10.822 1.00 0.00 O ATOM 1228 CB GLU A 78 11.071 9.426 -10.198 1.00 0.00 C ATOM 1229 CG GLU A 78 10.848 9.888 -11.628 1.00 0.00 C ATOM 1230 CD GLU A 78 12.103 9.795 -12.471 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.602 8.667 -12.675 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.598 10.846 -12.926 1.00 0.00 O ATOM 0 H GLU A 78 11.047 8.588 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 78 9.374 10.383 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.785 10.094 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.522 8.434 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.063 9.284 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.494 10.919 -11.622 1.00 0.00 H new ATOM 1239 N GLN A 79 8.812 7.196 -9.686 1.00 0.00 N ATOM 1240 CA GLN A 79 7.936 6.185 -10.272 1.00 0.00 C ATOM 1241 C GLN A 79 6.465 6.571 -10.127 1.00 0.00 C ATOM 1242 O GLN A 79 5.641 6.218 -10.968 1.00 0.00 O ATOM 1243 CB GLN A 79 8.169 4.834 -9.594 1.00 0.00 C ATOM 1244 CG GLN A 79 9.635 4.441 -9.490 1.00 0.00 C ATOM 1245 CD GLN A 79 10.325 4.356 -10.836 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.336 3.173 -11.423 1.00 0.00 O flip ATOM 1247 NE2 GLN A 79 10.856 5.347 -11.333 1.00 0.00 N flip ATOM 0 H GLN A 79 9.460 6.828 -8.989 1.00 0.00 H new ATOM 0 HA GLN A 79 8.174 6.115 -11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.739 4.862 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.635 4.063 -10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.156 5.167 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.712 3.477 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.823 6.242 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.329 5.274 -12.234 1.00 0.00 H new ATOM 1256 N SER A 80 6.154 7.307 -9.061 1.00 0.00 N ATOM 1257 CA SER A 80 4.780 7.694 -8.758 1.00 0.00 C ATOM 1258 C SER A 80 4.138 8.442 -9.923 1.00 0.00 C ATOM 1259 O SER A 80 2.972 8.212 -10.244 1.00 0.00 O ATOM 1260 CB SER A 80 4.732 8.569 -7.501 1.00 0.00 C ATOM 1261 OG SER A 80 3.395 8.774 -7.077 1.00 0.00 O ATOM 0 H SER A 80 6.842 7.648 -8.389 1.00 0.00 H new ATOM 0 HA SER A 80 4.216 6.777 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.302 8.096 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.205 9.530 -7.704 1.00 0.00 H new ATOM 0 HG SER A 80 3.391 9.092 -6.150 1.00 0.00 H new ATOM 1267 N GLU A 81 4.901 9.324 -10.566 1.00 0.00 N ATOM 1268 CA GLU A 81 4.358 10.139 -11.638 1.00 0.00 C ATOM 1269 C GLU A 81 3.907 9.268 -12.801 1.00 0.00 C ATOM 1270 O GLU A 81 2.799 9.424 -13.310 1.00 0.00 O ATOM 1271 CB GLU A 81 5.381 11.166 -12.125 1.00 0.00 C ATOM 1272 CG GLU A 81 4.810 12.117 -13.165 1.00 0.00 C ATOM 1273 CD GLU A 81 5.833 13.079 -13.722 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.057 14.142 -13.104 1.00 0.00 O ATOM 1275 OE2 GLU A 81 6.403 12.790 -14.794 1.00 0.00 O ATOM 0 H GLU A 81 5.887 9.488 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 81 3.495 10.673 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.745 11.741 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.240 10.645 -12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.385 11.536 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.993 12.684 -12.719 1.00 0.00 H new ATOM 1282 N ALA A 82 4.767 8.339 -13.200 1.00 0.00 N ATOM 1283 CA ALA A 82 4.474 7.455 -14.317 1.00 0.00 C ATOM 1284 C ALA A 82 3.315 6.521 -13.984 1.00 0.00 C ATOM 1285 O ALA A 82 2.415 6.319 -14.799 1.00 0.00 O ATOM 1286 CB ALA A 82 5.711 6.660 -14.702 1.00 0.00 C ATOM 0 H ALA A 82 5.675 8.179 -12.764 1.00 0.00 H new ATOM 0 HA ALA A 82 4.177 8.068 -15.168 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.475 6.003 -15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.508 7.345 -14.991 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.038 6.061 -13.852 1.00 0.00 H new ATOM 1292 N ILE A 83 3.336 5.968 -12.775 1.00 0.00 N ATOM 1293 CA ILE A 83 2.285 5.060 -12.331 1.00 0.00 C ATOM 1294 C ILE A 83 0.952 5.797 -12.219 1.00 0.00 C ATOM 1295 O ILE A 83 -0.064 5.348 -12.751 1.00 0.00 O ATOM 1296 CB ILE A 83 2.634 4.407 -10.973 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.943 3.619 -11.083 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.507 3.496 -10.513 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.384 2.978 -9.781 1.00 0.00 C ATOM 0 H ILE A 83 4.069 6.133 -12.086 1.00 0.00 H new ATOM 0 HA ILE A 83 2.200 4.271 -13.078 1.00 0.00 H new ATOM 0 HB ILE A 83 2.762 5.197 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.826 2.842 -11.838 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.730 4.287 -11.433 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.771 3.046 -9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.592 4.078 -10.400 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.349 2.711 -11.252 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.318 2.438 -9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.535 3.751 -9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.617 2.283 -9.439 1.00 0.00 H new ATOM 1311 N GLY A 84 0.974 6.945 -11.550 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.236 7.716 -11.347 1.00 0.00 C ATOM 1313 C GLY A 84 -0.810 8.259 -12.638 1.00 0.00 C ATOM 1314 O GLY A 84 -2.022 8.402 -12.767 1.00 0.00 O ATOM 0 H GLY A 84 1.814 7.356 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.982 7.090 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.024 8.545 -10.672 1.00 0.00 H new ATOM 1318 N ASP A 85 0.059 8.565 -13.586 1.00 0.00 N ATOM 1319 CA ASP A 85 -0.365 9.079 -14.887 1.00 0.00 C ATOM 1320 C ASP A 85 -1.031 7.977 -15.695 1.00 0.00 C ATOM 1321 O ASP A 85 -2.041 8.198 -16.364 1.00 0.00 O ATOM 1322 CB ASP A 85 0.844 9.614 -15.652 1.00 0.00 C ATOM 1323 CG ASP A 85 0.468 10.278 -16.960 1.00 0.00 C ATOM 1324 OD1 ASP A 85 0.217 11.500 -16.965 1.00 0.00 O ATOM 1325 OD2 ASP A 85 0.435 9.584 -17.997 1.00 0.00 O ATOM 0 H ASP A 85 1.069 8.467 -13.483 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.080 9.886 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.375 10.331 -15.026 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.533 8.793 -15.852 1.00 0.00 H new ATOM 1330 N ARG A 86 -0.454 6.786 -15.590 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.873 5.610 -16.355 1.00 0.00 C ATOM 1332 C ARG A 86 -2.383 5.371 -16.287 1.00 0.00 C ATOM 1333 O ARG A 86 -3.004 5.005 -17.284 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.121 4.384 -15.832 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.280 3.132 -16.680 1.00 0.00 C ATOM 1336 CD ARG A 86 0.871 2.163 -16.434 1.00 0.00 C ATOM 1337 NE ARG A 86 0.786 0.960 -17.266 1.00 0.00 N ATOM 1338 CZ ARG A 86 1.164 0.897 -18.544 1.00 0.00 C ATOM 1339 NH1 ARG A 86 1.605 1.980 -19.176 1.00 0.00 N ATOM 1340 NH2 ARG A 86 1.112 -0.257 -19.189 1.00 0.00 N ATOM 0 H ARG A 86 0.330 6.604 -14.963 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.632 5.788 -17.403 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.939 4.627 -15.763 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.465 4.168 -14.821 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.227 2.646 -16.445 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.314 3.404 -17.735 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.816 2.670 -16.631 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.878 1.873 -15.383 1.00 0.00 H new ATOM 0 HE ARG A 86 0.412 0.113 -16.839 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.657 2.872 -18.684 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.891 1.919 -20.153 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.784 -1.095 -18.709 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.400 -0.309 -20.166 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.971 5.568 -15.117 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.412 5.375 -14.958 1.00 0.00 C ATOM 1356 C PHE A 87 -5.101 6.634 -14.432 1.00 0.00 C ATOM 1357 O PHE A 87 -6.257 6.589 -14.009 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.705 4.172 -14.055 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.722 3.981 -12.934 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.725 4.816 -11.833 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.806 2.946 -12.980 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.832 4.625 -10.799 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.908 2.750 -11.951 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.923 3.590 -10.858 1.00 0.00 C ATOM 0 H PHE A 87 -2.483 5.858 -14.270 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.824 5.171 -15.946 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.703 4.286 -13.631 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.720 3.270 -14.666 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.435 5.628 -11.781 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.793 2.283 -13.832 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.845 5.285 -9.944 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.195 1.940 -12.002 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.224 3.438 -10.049 1.00 0.00 H new ATOM 1374 N ASN A 88 -4.383 7.751 -14.498 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.902 9.063 -14.090 1.00 0.00 C ATOM 1376 C ASN A 88 -5.392 9.062 -12.641 1.00 0.00 C ATOM 1377 O ASN A 88 -6.597 9.043 -12.376 1.00 0.00 O ATOM 1378 CB ASN A 88 -6.028 9.527 -15.021 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.490 10.942 -14.712 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -5.704 11.791 -14.285 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -7.771 11.203 -14.921 1.00 0.00 N ATOM 0 H ASN A 88 -3.421 7.777 -14.836 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.070 9.764 -14.164 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.685 9.477 -16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.873 8.844 -14.933 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.140 12.134 -14.728 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.389 10.473 -15.275 1.00 0.00 H new ATOM 1388 N VAL A 89 -4.449 9.044 -11.711 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.754 9.126 -10.286 1.00 0.00 C ATOM 1390 C VAL A 89 -3.780 10.085 -9.588 1.00 0.00 C ATOM 1391 O VAL A 89 -4.055 10.587 -8.496 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.704 7.723 -9.611 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.840 7.820 -8.095 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.800 6.823 -10.164 1.00 0.00 C ATOM 0 H VAL A 89 -3.453 8.972 -11.919 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.769 9.511 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.730 7.291 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.800 6.821 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.024 8.422 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.793 8.287 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.749 5.848 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.773 7.274 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.664 6.702 -11.239 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.662 10.381 -10.247 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.619 11.196 -9.631 1.00 0.00 C ATOM 1406 C ARG A 90 -2.126 12.602 -9.338 1.00 0.00 C ATOM 1407 O ARG A 90 -2.480 13.354 -10.248 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.377 11.283 -10.513 1.00 0.00 C ATOM 1409 CG ARG A 90 0.820 11.825 -9.756 1.00 0.00 C ATOM 1410 CD ARG A 90 1.962 12.200 -10.677 1.00 0.00 C ATOM 1411 NE ARG A 90 1.663 13.386 -11.480 1.00 0.00 N ATOM 1412 CZ ARG A 90 2.008 14.623 -11.124 1.00 0.00 C ATOM 1413 NH1 ARG A 90 2.532 14.850 -9.922 1.00 0.00 N ATOM 1414 NH2 ARG A 90 1.799 15.636 -11.950 1.00 0.00 N ATOM 0 H ARG A 90 -2.457 10.072 -11.197 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.349 10.707 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.141 10.294 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.585 11.924 -11.370 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.517 12.700 -9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.164 11.077 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.859 12.382 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.182 11.362 -11.339 1.00 0.00 H new ATOM 0 HE ARG A 90 1.163 13.259 -12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.670 14.077 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.796 15.797 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.373 15.471 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.064 16.582 -11.675 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.133 12.948 -8.061 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.650 14.225 -7.596 1.00 0.00 C ATOM 1430 C ARG A 91 -2.459 14.311 -6.090 1.00 0.00 C ATOM 1431 O ARG A 91 -2.168 15.371 -5.538 1.00 0.00 O ATOM 1432 CB ARG A 91 -4.131 14.364 -7.970 1.00 0.00 C ATOM 1433 CG ARG A 91 -4.758 15.689 -7.572 1.00 0.00 C ATOM 1434 CD ARG A 91 -5.996 15.978 -8.408 1.00 0.00 C ATOM 1435 NE ARG A 91 -5.645 16.227 -9.809 1.00 0.00 N ATOM 1436 CZ ARG A 91 -6.250 15.670 -10.859 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -7.272 14.836 -10.692 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -5.827 15.950 -12.085 1.00 0.00 N ATOM 0 H ARG A 91 -1.779 12.349 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.109 15.042 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.234 14.236 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.690 13.556 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.025 15.666 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.032 16.492 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.684 15.134 -8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.518 16.845 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.880 16.875 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.602 14.616 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.726 14.417 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.043 16.588 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.286 15.527 -12.892 1.00 0.00 H new ATOM 1452 N PHE A 92 -2.607 13.163 -5.444 1.00 0.00 N ATOM 1453 CA PHE A 92 -2.383 13.029 -4.017 1.00 0.00 C ATOM 1454 C PHE A 92 -1.926 11.602 -3.718 1.00 0.00 C ATOM 1455 O PHE A 92 -2.258 10.683 -4.468 1.00 0.00 O ATOM 1456 CB PHE A 92 -3.665 13.368 -3.235 1.00 0.00 C ATOM 1457 CG PHE A 92 -4.862 12.536 -3.617 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -5.674 12.912 -4.676 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -5.170 11.378 -2.921 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -6.771 12.151 -5.030 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -6.266 10.613 -3.272 1.00 0.00 C ATOM 1462 CZ PHE A 92 -7.067 10.998 -4.328 1.00 0.00 C ATOM 0 H PHE A 92 -2.888 12.295 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.609 13.728 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.472 13.239 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.904 14.420 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.446 13.810 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.546 11.070 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.397 12.457 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.496 9.714 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.923 10.400 -4.605 1.00 0.00 H new ATOM 1472 N PRO A 93 -1.145 11.402 -2.641 1.00 0.00 N ATOM 1473 CA PRO A 93 -0.663 10.072 -2.248 1.00 0.00 C ATOM 1474 C PRO A 93 -1.812 9.104 -1.985 1.00 0.00 C ATOM 1475 O PRO A 93 -2.600 9.297 -1.059 1.00 0.00 O ATOM 1476 CB PRO A 93 0.130 10.330 -0.959 1.00 0.00 C ATOM 1477 CG PRO A 93 -0.294 11.683 -0.493 1.00 0.00 C ATOM 1478 CD PRO A 93 -0.666 12.450 -1.728 1.00 0.00 C ATOM 0 HA PRO A 93 -0.067 9.608 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.086 9.571 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.203 10.298 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.139 11.612 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.512 12.180 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.439 13.191 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.188 12.986 -2.142 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.909 8.073 -2.812 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.981 7.097 -2.695 1.00 0.00 C ATOM 1488 C ALA A 94 -2.481 5.699 -3.033 1.00 0.00 C ATOM 1489 O ALA A 94 -1.409 5.535 -3.621 1.00 0.00 O ATOM 1490 CB ALA A 94 -4.143 7.478 -3.602 1.00 0.00 C ATOM 0 H ALA A 94 -1.255 7.891 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.329 7.093 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.938 6.739 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.522 8.459 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.802 7.509 -4.637 1.00 0.00 H new ATOM 1496 N THR A 95 -3.252 4.697 -2.650 1.00 0.00 N ATOM 1497 CA THR A 95 -2.908 3.317 -2.938 1.00 0.00 C ATOM 1498 C THR A 95 -3.987 2.680 -3.806 1.00 0.00 C ATOM 1499 O THR A 95 -5.161 2.673 -3.439 1.00 0.00 O ATOM 1500 CB THR A 95 -2.746 2.510 -1.634 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.906 3.232 -0.724 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.142 1.141 -1.906 1.00 0.00 C ATOM 0 H THR A 95 -4.125 4.815 -2.136 1.00 0.00 H new ATOM 0 HA THR A 95 -1.959 3.306 -3.474 1.00 0.00 H new ATOM 0 HB THR A 95 -3.734 2.367 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.805 2.719 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.040 0.595 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.792 0.584 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.160 1.261 -2.365 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.597 2.148 -4.952 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.547 1.576 -5.884 1.00 0.00 C ATOM 1512 C LEU A 96 -4.762 0.098 -5.580 1.00 0.00 C ATOM 1513 O LEU A 96 -3.804 -0.646 -5.368 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.034 1.744 -7.315 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.127 3.149 -7.924 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -5.554 3.454 -8.340 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -3.619 4.228 -6.977 1.00 0.00 C ATOM 0 H LEU A 96 -2.625 2.101 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.499 2.097 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.990 1.432 -7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.588 1.059 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.482 3.156 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.602 4.455 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.881 2.725 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.206 3.402 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.707 5.203 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.212 4.218 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.574 4.036 -6.734 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.023 -0.314 -5.558 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.385 -1.671 -5.189 1.00 0.00 C ATOM 1531 C VAL A 97 -6.619 -2.522 -6.431 1.00 0.00 C ATOM 1532 O VAL A 97 -7.550 -2.273 -7.207 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.649 -1.691 -4.301 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.960 -3.107 -3.830 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.486 -0.741 -3.119 1.00 0.00 C ATOM 0 H VAL A 97 -6.817 0.281 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.554 -2.089 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.494 -1.348 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.854 -3.095 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.129 -3.749 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.120 -3.491 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.386 -0.768 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.628 -1.048 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.328 0.273 -3.486 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.765 -3.520 -6.615 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.854 -4.412 -7.758 1.00 0.00 C ATOM 1547 C PHE A 98 -6.334 -5.789 -7.316 1.00 0.00 C ATOM 1548 O PHE A 98 -5.565 -6.590 -6.778 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.493 -4.530 -8.454 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.976 -3.224 -8.995 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.307 -2.329 -8.174 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.163 -2.893 -10.325 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.838 -1.127 -8.673 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.694 -1.693 -10.827 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.030 -0.810 -10.003 1.00 0.00 C ATOM 0 H PHE A 98 -4.996 -3.731 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.573 -3.996 -8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.767 -4.934 -7.748 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.574 -5.246 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.150 -2.573 -7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.681 -3.579 -10.978 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.322 -0.437 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.848 -1.447 -11.867 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.661 0.126 -10.396 1.00 0.00 H new ATOM 1565 N THR A 99 -7.606 -6.052 -7.540 1.00 0.00 N ATOM 1566 CA THR A 99 -8.211 -7.304 -7.136 1.00 0.00 C ATOM 1567 C THR A 99 -8.596 -8.115 -8.364 1.00 0.00 C ATOM 1568 O THR A 99 -9.088 -7.557 -9.348 1.00 0.00 O ATOM 1569 CB THR A 99 -9.453 -7.063 -6.256 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.330 -6.118 -6.886 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.044 -6.546 -4.884 1.00 0.00 C ATOM 0 H THR A 99 -8.246 -5.408 -8.005 1.00 0.00 H new ATOM 0 HA THR A 99 -7.480 -7.860 -6.549 1.00 0.00 H new ATOM 0 HB THR A 99 -9.975 -8.012 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.116 -5.973 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.934 -6.382 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.402 -7.279 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.503 -5.607 -4.996 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.339 -9.421 -8.307 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.618 -10.337 -9.420 1.00 0.00 C ATOM 1581 C ASP A 100 -7.647 -10.087 -10.565 1.00 0.00 C ATOM 1582 O ASP A 100 -7.819 -10.595 -11.671 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.055 -10.166 -9.916 1.00 0.00 C ATOM 1584 CG ASP A 100 -10.567 -11.382 -10.660 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -10.743 -12.442 -10.026 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -10.795 -11.288 -11.886 1.00 0.00 O ATOM 0 H ASP A 100 -7.932 -9.877 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.492 -11.358 -9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.707 -9.965 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.108 -9.296 -10.571 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.610 -9.321 -10.276 1.00 0.00 N ATOM 1592 CA GLY A 101 -5.678 -8.915 -11.301 1.00 0.00 C ATOM 1593 C GLY A 101 -6.148 -7.677 -12.036 1.00 0.00 C ATOM 1594 O GLY A 101 -5.520 -7.253 -13.006 1.00 0.00 O ATOM 0 H GLY A 101 -6.396 -8.971 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.705 -8.721 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.543 -9.730 -12.012 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.254 -7.092 -11.581 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.777 -5.889 -12.212 1.00 0.00 C ATOM 1600 C LYS A 102 -7.890 -4.738 -11.219 1.00 0.00 C ATOM 1601 O LYS A 102 -8.155 -4.942 -10.037 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.145 -6.157 -12.841 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.086 -6.976 -14.121 1.00 0.00 C ATOM 1604 CD LYS A 102 -10.468 -7.123 -14.735 1.00 0.00 C ATOM 1605 CE LYS A 102 -10.405 -7.764 -16.110 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.753 -7.879 -16.721 1.00 0.00 N ATOM 0 H LYS A 102 -7.798 -7.429 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.071 -5.603 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.771 -6.678 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.629 -5.204 -13.053 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.416 -6.496 -14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.672 -7.961 -13.908 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.095 -7.728 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.939 -6.143 -14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.760 -7.172 -16.759 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.955 -8.754 -16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.672 -8.321 -17.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.361 -8.465 -16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.172 -6.932 -16.819 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.686 -3.526 -11.712 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.835 -2.332 -10.896 1.00 0.00 C ATOM 1622 C LEU A 103 -9.314 -2.007 -10.720 1.00 0.00 C ATOM 1623 O LEU A 103 -10.046 -1.855 -11.700 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.103 -1.153 -11.544 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.170 0.171 -10.779 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.580 0.020 -9.387 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.443 1.261 -11.549 1.00 0.00 C ATOM 0 H LEU A 103 -7.415 -3.344 -12.678 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.395 -2.514 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.055 -1.425 -11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.515 -0.997 -12.541 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.217 0.455 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.638 0.973 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.140 -0.734 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.537 -0.288 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.498 2.197 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.399 0.978 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.910 1.390 -12.525 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.758 -1.924 -9.474 1.00 0.00 N ATOM 1640 CA ARG A 104 -11.163 -1.649 -9.192 1.00 0.00 C ATOM 1641 C ARG A 104 -11.340 -0.369 -8.388 1.00 0.00 C ATOM 1642 O ARG A 104 -12.248 0.415 -8.658 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.811 -2.824 -8.455 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.992 -4.072 -9.313 1.00 0.00 C ATOM 1645 CD ARG A 104 -13.031 -3.875 -10.414 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.589 -2.921 -11.432 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.405 -2.283 -12.271 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.715 -2.503 -12.234 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -12.908 -1.416 -13.140 1.00 0.00 N ATOM 0 H ARG A 104 -9.173 -2.042 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.661 -1.514 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.200 -3.077 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.785 -2.511 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.037 -4.342 -9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.293 -4.906 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.243 -4.834 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.964 -3.525 -9.972 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.589 -2.732 -11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.102 -3.164 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.333 -2.011 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.904 -1.238 -13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.529 -0.926 -13.784 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.474 -0.150 -7.413 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.612 1.017 -6.570 1.00 0.00 C ATOM 1665 C GLY A 105 -9.285 1.510 -6.038 1.00 0.00 C ATOM 1666 O GLY A 105 -8.230 1.030 -6.450 1.00 0.00 O ATOM 0 H GLY A 105 -9.683 -0.755 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -11.091 1.815 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.270 0.781 -5.733 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.341 2.460 -5.118 1.00 0.00 N ATOM 1671 CA ALA A 106 -8.143 3.030 -4.528 1.00 0.00 C ATOM 1672 C ALA A 106 -8.439 3.576 -3.140 1.00 0.00 C ATOM 1673 O ALA A 106 -9.543 4.045 -2.870 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.581 4.133 -5.416 1.00 0.00 C ATOM 0 H ALA A 106 -10.212 2.854 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.398 2.239 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.684 4.548 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.331 3.721 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.326 4.920 -5.533 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.451 3.500 -2.264 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.571 4.052 -0.929 1.00 0.00 C ATOM 1682 C LEU A 107 -6.890 5.412 -0.907 1.00 0.00 C ATOM 1683 O LEU A 107 -5.696 5.519 -1.199 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.933 3.102 0.094 1.00 0.00 C ATOM 1685 CG LEU A 107 -7.436 3.236 1.541 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -6.889 4.488 2.207 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.961 3.241 1.578 1.00 0.00 C ATOM 0 H LEU A 107 -6.552 3.058 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.621 4.169 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.103 2.077 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.855 3.264 0.088 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.071 2.373 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.265 4.551 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.800 4.445 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.209 5.367 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.300 3.336 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.336 4.081 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.338 2.309 1.157 1.00 0.00 H new ATOM 1699 N SER A 108 -7.647 6.446 -0.585 1.00 0.00 N ATOM 1700 CA SER A 108 -7.145 7.806 -0.676 1.00 0.00 C ATOM 1701 C SER A 108 -6.510 8.279 0.632 1.00 0.00 C ATOM 1702 O SER A 108 -5.482 8.950 0.622 1.00 0.00 O ATOM 1703 CB SER A 108 -8.271 8.745 -1.108 1.00 0.00 C ATOM 1704 OG SER A 108 -9.468 8.514 -0.375 1.00 0.00 O ATOM 0 H SER A 108 -8.610 6.370 -0.259 1.00 0.00 H new ATOM 0 HA SER A 108 -6.356 7.821 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.954 9.779 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.466 8.612 -2.172 1.00 0.00 H new ATOM 0 HG SER A 108 -9.268 7.969 0.415 1.00 0.00 H new ATOM 1710 N GLY A 109 -7.121 7.924 1.753 1.00 0.00 N ATOM 1711 CA GLY A 109 -6.596 8.334 3.042 1.00 0.00 C ATOM 1712 C GLY A 109 -7.017 9.739 3.407 1.00 0.00 C ATOM 1713 O GLY A 109 -6.248 10.494 4.005 1.00 0.00 O ATOM 0 H GLY A 109 -7.970 7.360 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.941 7.642 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.508 8.275 3.025 1.00 0.00 H new ATOM 1717 N ILE A 110 -8.242 10.091 3.049 1.00 0.00 N ATOM 1718 CA ILE A 110 -8.787 11.405 3.364 1.00 0.00 C ATOM 1719 C ILE A 110 -9.556 11.342 4.679 1.00 0.00 C ATOM 1720 O ILE A 110 -9.475 12.252 5.506 1.00 0.00 O ATOM 1721 CB ILE A 110 -9.697 11.944 2.223 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -8.867 12.681 1.164 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -10.785 12.869 2.759 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -7.840 11.820 0.464 1.00 0.00 C ATOM 0 H ILE A 110 -8.881 9.483 2.538 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.954 12.100 3.465 1.00 0.00 H new ATOM 0 HB ILE A 110 -10.178 11.081 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.542 13.099 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.357 13.520 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.400 13.225 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.409 12.324 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.324 13.720 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.299 12.421 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.138 11.422 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.341 10.995 -0.043 1.00 0.00 H new ATOM 1736 N HIS A 111 -10.289 10.255 4.876 1.00 0.00 N ATOM 1737 CA HIS A 111 -11.024 10.050 6.114 1.00 0.00 C ATOM 1738 C HIS A 111 -10.469 8.825 6.832 1.00 0.00 C ATOM 1739 O HIS A 111 -10.786 7.691 6.469 1.00 0.00 O ATOM 1740 CB HIS A 111 -12.522 9.884 5.840 1.00 0.00 C ATOM 1741 CG HIS A 111 -13.391 10.180 7.028 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -13.297 9.788 8.321 1.00 0.00 N flip ATOM 1743 CD2 HIS A 111 -14.520 10.962 6.953 1.00 0.00 C flip ATOM 1744 CE1 HIS A 111 -14.360 10.332 8.992 1.00 0.00 C flip ATOM 1745 NE2 HIS A 111 -15.082 11.039 8.145 1.00 0.00 N flip ATOM 0 H HIS A 111 -10.390 9.503 4.195 1.00 0.00 H new ATOM 0 HA HIS A 111 -10.901 10.927 6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -12.807 10.543 5.020 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -12.710 8.863 5.509 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -14.890 11.439 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.572 10.203 10.043 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -15.931 11.557 8.372 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.631 9.057 7.861 1.00 0.00 N ATOM 1755 CA PRO A 112 -8.885 8.006 8.571 1.00 0.00 C ATOM 1756 C PRO A 112 -9.714 6.767 8.898 1.00 0.00 C ATOM 1757 O PRO A 112 -10.627 6.816 9.723 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.446 8.704 9.854 1.00 0.00 C ATOM 1759 CG PRO A 112 -8.285 10.128 9.459 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.348 10.394 8.428 1.00 0.00 C ATOM 0 HA PRO A 112 -8.070 7.621 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.190 8.591 10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.513 8.288 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -8.402 10.787 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.291 10.310 9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.238 10.835 8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.999 11.087 7.663 1.00 0.00 H new ATOM 1768 N TRP A 113 -9.398 5.682 8.189 1.00 0.00 N ATOM 1769 CA TRP A 113 -9.962 4.347 8.419 1.00 0.00 C ATOM 1770 C TRP A 113 -11.426 4.234 7.981 1.00 0.00 C ATOM 1771 O TRP A 113 -11.836 3.205 7.452 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.819 3.917 9.883 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.843 2.428 10.033 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -10.935 1.611 9.983 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.711 1.578 10.230 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.548 0.299 10.128 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.186 0.255 10.286 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.341 1.809 10.367 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.333 -0.834 10.465 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.498 0.731 10.547 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -6.994 -0.577 10.594 1.00 0.00 C ATOM 0 H TRP A 113 -8.727 5.706 7.421 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.380 3.670 7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.885 4.307 10.286 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.627 4.354 10.470 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.953 1.945 9.849 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.171 -0.508 10.119 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.947 2.814 10.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.715 -1.844 10.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.437 0.900 10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.308 -1.399 10.735 1.00 0.00 H new ATOM 1792 N ALA A 114 -12.204 5.282 8.195 1.00 0.00 N ATOM 1793 CA ALA A 114 -13.627 5.259 7.872 1.00 0.00 C ATOM 1794 C ALA A 114 -13.871 4.905 6.407 1.00 0.00 C ATOM 1795 O ALA A 114 -14.823 4.197 6.080 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.256 6.599 8.196 1.00 0.00 C ATOM 0 H ALA A 114 -11.876 6.163 8.592 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.092 4.483 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.318 6.571 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.134 6.811 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.769 7.380 7.612 1.00 0.00 H new ATOM 1802 N GLU A 115 -12.994 5.375 5.528 1.00 0.00 N ATOM 1803 CA GLU A 115 -13.165 5.133 4.101 1.00 0.00 C ATOM 1804 C GLU A 115 -12.739 3.716 3.736 1.00 0.00 C ATOM 1805 O GLU A 115 -13.127 3.195 2.695 1.00 0.00 O ATOM 1806 CB GLU A 115 -12.404 6.166 3.263 1.00 0.00 C ATOM 1807 CG GLU A 115 -10.906 6.187 3.498 1.00 0.00 C ATOM 1808 CD GLU A 115 -10.204 7.177 2.592 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -10.347 8.399 2.812 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -9.504 6.742 1.654 1.00 0.00 O ATOM 0 H GLU A 115 -12.167 5.919 5.774 1.00 0.00 H new ATOM 0 HA GLU A 115 -14.225 5.239 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.591 5.967 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.806 7.156 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.706 6.442 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.499 5.190 3.330 1.00 0.00 H new ATOM 1817 N LEU A 116 -11.967 3.081 4.612 1.00 0.00 N ATOM 1818 CA LEU A 116 -11.574 1.691 4.417 1.00 0.00 C ATOM 1819 C LEU A 116 -12.806 0.798 4.446 1.00 0.00 C ATOM 1820 O LEU A 116 -12.907 -0.163 3.691 1.00 0.00 O ATOM 1821 CB LEU A 116 -10.584 1.247 5.501 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.140 1.709 5.297 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.366 1.632 6.600 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -8.461 0.850 4.244 1.00 0.00 C ATOM 0 H LEU A 116 -11.601 3.507 5.464 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.085 1.604 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.934 1.619 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.595 0.158 5.556 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.155 2.745 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.341 1.965 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.840 2.273 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.360 0.603 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.434 1.187 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.461 -0.191 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.001 0.936 3.301 1.00 0.00 H new ATOM 1836 N LEU A 117 -13.744 1.144 5.312 1.00 0.00 N ATOM 1837 CA LEU A 117 -14.970 0.377 5.462 1.00 0.00 C ATOM 1838 C LEU A 117 -15.887 0.564 4.258 1.00 0.00 C ATOM 1839 O LEU A 117 -16.474 -0.397 3.765 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.689 0.799 6.744 1.00 0.00 C ATOM 1841 CG LEU A 117 -14.863 0.651 8.024 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.624 1.193 9.220 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.486 -0.805 8.249 1.00 0.00 C ATOM 0 H LEU A 117 -13.679 1.956 5.925 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.710 -0.680 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.996 1.840 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.598 0.207 6.845 1.00 0.00 H new ATOM 0 HG LEU A 117 -13.948 1.232 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.019 1.078 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -15.844 2.249 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.557 0.642 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.899 -0.892 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.391 -1.405 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.897 -1.163 7.405 1.00 0.00 H new ATOM 1855 N THR A 118 -15.992 1.799 3.782 1.00 0.00 N ATOM 1856 CA THR A 118 -16.916 2.130 2.702 1.00 0.00 C ATOM 1857 C THR A 118 -16.341 1.795 1.319 1.00 0.00 C ATOM 1858 O THR A 118 -17.036 1.231 0.470 1.00 0.00 O ATOM 1859 CB THR A 118 -17.294 3.626 2.752 1.00 0.00 C ATOM 1860 OG1 THR A 118 -17.639 3.988 4.095 1.00 0.00 O ATOM 1861 CG2 THR A 118 -18.470 3.923 1.831 1.00 0.00 C ATOM 0 H THR A 118 -15.448 2.590 4.127 1.00 0.00 H new ATOM 0 HA THR A 118 -17.806 1.519 2.852 1.00 0.00 H new ATOM 0 HB THR A 118 -16.436 4.209 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.877 4.938 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.716 4.984 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.204 3.664 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.333 3.334 2.142 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.077 2.133 1.093 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.467 1.949 -0.219 1.00 0.00 C ATOM 1871 C LEU A 119 -14.183 0.479 -0.502 1.00 0.00 C ATOM 1872 O LEU A 119 -14.552 -0.034 -1.558 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.176 2.765 -0.340 1.00 0.00 C ATOM 1874 CG LEU A 119 -13.355 4.287 -0.287 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.010 4.987 -0.406 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.299 4.750 -1.388 1.00 0.00 C ATOM 0 H LEU A 119 -14.457 2.534 1.797 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.181 2.307 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.501 2.467 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.688 2.506 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.794 4.550 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.157 6.066 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.365 4.678 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.543 4.719 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.415 5.833 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.888 4.475 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.271 4.274 -1.258 1.00 0.00 H new ATOM 1888 N MET A 120 -13.553 -0.203 0.448 1.00 0.00 N ATOM 1889 CA MET A 120 -13.180 -1.601 0.254 1.00 0.00 C ATOM 1890 C MET A 120 -14.413 -2.479 0.105 1.00 0.00 C ATOM 1891 O MET A 120 -14.385 -3.473 -0.608 1.00 0.00 O ATOM 1892 CB MET A 120 -12.316 -2.109 1.411 1.00 0.00 C ATOM 1893 CG MET A 120 -10.970 -1.414 1.526 1.00 0.00 C ATOM 1894 SD MET A 120 -9.968 -1.586 0.040 1.00 0.00 S ATOM 1895 CE MET A 120 -8.507 -0.668 0.516 1.00 0.00 C ATOM 0 H MET A 120 -13.291 0.185 1.354 1.00 0.00 H new ATOM 0 HA MET A 120 -12.597 -1.657 -0.665 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.863 -1.977 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.152 -3.179 1.286 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.129 -0.355 1.731 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.425 -1.825 2.376 1.00 0.00 H new ATOM 0 HE1 MET A 120 -7.622 -1.158 0.111 1.00 0.00 H new ATOM 0 HE2 MET A 120 -8.571 0.347 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 120 -8.437 -0.633 1.603 1.00 0.00 H new ATOM 1905 N ARG A 121 -15.499 -2.094 0.762 1.00 0.00 N ATOM 1906 CA ARG A 121 -16.754 -2.839 0.678 1.00 0.00 C ATOM 1907 C ARG A 121 -17.225 -2.908 -0.778 1.00 0.00 C ATOM 1908 O ARG A 121 -17.784 -3.909 -1.223 1.00 0.00 O ATOM 1909 CB ARG A 121 -17.811 -2.155 1.558 1.00 0.00 C ATOM 1910 CG ARG A 121 -18.908 -3.078 2.085 1.00 0.00 C ATOM 1911 CD ARG A 121 -19.913 -3.459 1.009 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.981 -4.304 1.540 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.865 -4.943 0.782 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.817 -4.829 -0.538 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -22.796 -5.698 1.345 1.00 0.00 N ATOM 0 H ARG A 121 -15.539 -1.269 1.361 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.601 -3.857 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.310 -1.690 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.276 -1.353 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.454 -3.982 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -19.429 -2.586 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.344 -2.556 0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.401 -3.984 0.203 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.052 -4.409 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.100 -4.249 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.497 -5.321 -1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.834 -5.789 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.475 -6.189 0.763 1.00 0.00 H new ATOM 1929 N SER A 122 -16.984 -1.830 -1.509 1.00 0.00 N ATOM 1930 CA SER A 122 -17.368 -1.741 -2.908 1.00 0.00 C ATOM 1931 C SER A 122 -16.414 -2.545 -3.793 1.00 0.00 C ATOM 1932 O SER A 122 -16.810 -3.064 -4.838 1.00 0.00 O ATOM 1933 CB SER A 122 -17.390 -0.271 -3.337 1.00 0.00 C ATOM 1934 OG SER A 122 -17.883 -0.110 -4.657 1.00 0.00 O ATOM 0 H SER A 122 -16.519 -0.996 -1.150 1.00 0.00 H new ATOM 0 HA SER A 122 -18.364 -2.167 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.011 0.299 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.383 0.140 -3.274 1.00 0.00 H new ATOM 0 HG SER A 122 -17.883 0.841 -4.893 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.158 -2.641 -3.373 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.133 -3.318 -4.162 1.00 0.00 C ATOM 1942 C ILE A 123 -14.175 -4.828 -3.926 1.00 0.00 C ATOM 1943 O ILE A 123 -14.153 -5.622 -4.870 1.00 0.00 O ATOM 1944 CB ILE A 123 -12.725 -2.791 -3.808 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -12.674 -1.268 -3.958 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -11.670 -3.446 -4.691 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.383 -0.648 -3.465 1.00 0.00 C ATOM 0 H ILE A 123 -14.823 -2.258 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.340 -3.110 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 123 -12.512 -3.047 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -12.812 -1.011 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -13.509 -0.830 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -10.685 -3.062 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -11.690 -4.526 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -11.879 -3.220 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.422 0.432 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.252 -0.873 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.545 -1.057 -4.029 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.260 -5.208 -2.660 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.252 -6.598 -2.264 1.00 0.00 C ATOM 1961 C VAL A 124 -15.475 -6.884 -1.404 1.00 0.00 C ATOM 1962 O VAL A 124 -15.459 -6.746 -0.183 1.00 0.00 O ATOM 1963 CB VAL A 124 -12.946 -7.000 -1.527 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -11.796 -7.113 -2.513 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.593 -6.010 -0.424 1.00 0.00 C ATOM 0 H VAL A 124 -14.336 -4.555 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.290 -7.206 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.118 -7.971 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.887 -7.395 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.030 -7.872 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.644 -6.153 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.673 -6.326 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.451 -5.019 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.402 -5.975 0.306 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.551 -7.218 -2.095 1.00 0.00 N ATOM 1976 CA ASP A 125 -17.835 -7.579 -1.479 1.00 0.00 C ATOM 1977 C ASP A 125 -17.664 -8.610 -0.358 1.00 0.00 C ATOM 1978 O ASP A 125 -18.453 -8.644 0.590 1.00 0.00 O ATOM 1979 CB ASP A 125 -18.774 -8.124 -2.562 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.165 -8.443 -2.044 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -20.393 -9.587 -1.597 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -21.049 -7.564 -2.113 1.00 0.00 O ATOM 0 H ASP A 125 -16.567 -7.249 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.262 -6.683 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.852 -7.393 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.338 -9.026 -2.991 1.00 0.00 H new