USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= 0.0183 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.623) USER MOD Single : A 21 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1.9!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.917 K(o=-0.92,f=-3.6!) USER MOD Single : A 31 SER OG : rot 69:sc= 0.23 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -1.11 (180deg=-2.12) USER MOD Single : A 40 MET CE :methyl 147:sc= -1.62 (180deg=-3.29!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.566) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -170:sc= -1.71 (180deg=-1.84) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 160:sc= 0 USER MOD Single : A 80 MET CE :methyl -143:sc= -2.09 (180deg=-3.22!) USER MOD Single : A 86 SER OG : rot -70:sc= 0.239 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 5.462 18.896 -12.353 1.00 0.00 N ATOM 163 CA SER A 14 5.277 19.613 -11.102 1.00 0.00 C ATOM 164 C SER A 14 4.217 18.913 -10.250 1.00 0.00 C ATOM 165 O SER A 14 4.535 18.327 -9.216 1.00 0.00 O ATOM 166 CB SER A 14 4.877 21.068 -11.356 1.00 0.00 C ATOM 167 OG SER A 14 5.219 21.914 -10.262 1.00 0.00 O ATOM 0 HA SER A 14 6.225 19.613 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.370 21.427 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.803 21.123 -11.535 1.00 0.00 H new ATOM 0 HG SER A 14 4.949 22.834 -10.463 1.00 0.00 H new ATOM 173 N LYS A 15 2.979 18.997 -10.714 1.00 0.00 N ATOM 174 CA LYS A 15 1.871 18.379 -10.007 1.00 0.00 C ATOM 175 C LYS A 15 1.880 16.872 -10.271 1.00 0.00 C ATOM 176 O LYS A 15 1.271 16.104 -9.528 1.00 0.00 O ATOM 177 CB LYS A 15 0.552 19.060 -10.377 1.00 0.00 C ATOM 178 CG LYS A 15 -0.626 18.406 -9.652 1.00 0.00 C ATOM 179 CD LYS A 15 -1.349 17.413 -10.564 1.00 0.00 C ATOM 180 CE LYS A 15 -2.447 16.668 -9.802 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.783 17.160 -10.205 1.00 0.00 N ATOM 0 H LYS A 15 2.719 19.484 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 15 1.983 18.515 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.600 20.118 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.398 19.001 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.268 17.892 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.324 19.174 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.785 17.943 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.633 16.698 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.372 15.598 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.311 16.805 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.516 16.644 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.857 18.176 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.916 17.006 -11.225 1.00 0.00 H new ATOM 195 N VAL A 16 2.577 16.493 -11.332 1.00 0.00 N ATOM 196 CA VAL A 16 2.674 15.092 -11.704 1.00 0.00 C ATOM 197 C VAL A 16 3.859 14.456 -10.974 1.00 0.00 C ATOM 198 O VAL A 16 3.692 13.480 -10.245 1.00 0.00 O ATOM 199 CB VAL A 16 2.767 14.959 -13.225 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.776 13.489 -13.647 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.632 15.720 -13.912 1.00 0.00 C ATOM 0 H VAL A 16 3.081 17.133 -11.946 1.00 0.00 H new ATOM 0 HA VAL A 16 1.777 14.553 -11.399 1.00 0.00 H new ATOM 0 HB VAL A 16 3.710 15.404 -13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.843 13.423 -14.733 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.634 12.987 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.858 13.008 -13.310 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.722 15.609 -14.993 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.673 15.318 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.691 16.776 -13.649 1.00 0.00 H new ATOM 211 N GLU A 17 5.030 15.035 -11.197 1.00 0.00 N ATOM 212 CA GLU A 17 6.242 14.537 -10.570 1.00 0.00 C ATOM 213 C GLU A 17 5.946 14.058 -9.147 1.00 0.00 C ATOM 214 O GLU A 17 6.492 13.050 -8.702 1.00 0.00 O ATOM 215 CB GLU A 17 7.339 15.604 -10.572 1.00 0.00 C ATOM 216 CG GLU A 17 8.563 15.130 -11.357 1.00 0.00 C ATOM 217 CD GLU A 17 9.663 14.638 -10.414 1.00 0.00 C ATOM 218 OE1 GLU A 17 9.546 13.479 -9.962 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.595 15.433 -10.166 1.00 0.00 O ATOM 0 H GLU A 17 5.165 15.844 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 17 6.605 13.688 -11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.955 16.525 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.627 15.836 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.275 14.327 -12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.944 15.946 -11.971 1.00 0.00 H new ATOM 226 N LYS A 18 5.083 14.804 -8.474 1.00 0.00 N ATOM 227 CA LYS A 18 4.707 14.468 -7.111 1.00 0.00 C ATOM 228 C LYS A 18 3.801 13.235 -7.125 1.00 0.00 C ATOM 229 O LYS A 18 4.136 12.208 -6.537 1.00 0.00 O ATOM 230 CB LYS A 18 4.087 15.679 -6.412 1.00 0.00 C ATOM 231 CG LYS A 18 5.063 16.293 -5.407 1.00 0.00 C ATOM 232 CD LYS A 18 4.930 15.627 -4.036 1.00 0.00 C ATOM 233 CE LYS A 18 3.648 16.076 -3.331 1.00 0.00 C ATOM 234 NZ LYS A 18 3.883 17.327 -2.575 1.00 0.00 N ATOM 0 H LYS A 18 4.633 15.640 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 18 5.589 14.209 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.806 16.426 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.173 15.379 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.084 16.182 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.872 17.362 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.925 14.543 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.794 15.877 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.857 16.231 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.305 15.294 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.623 17.184 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.888 17.586 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.303 18.090 -2.978 1.00 0.00 H new ATOM 248 N ALA A 19 2.672 13.378 -7.802 1.00 0.00 N ATOM 249 CA ALA A 19 1.715 12.289 -7.901 1.00 0.00 C ATOM 250 C ALA A 19 2.439 11.019 -8.354 1.00 0.00 C ATOM 251 O ALA A 19 2.267 9.956 -7.759 1.00 0.00 O ATOM 252 CB ALA A 19 0.585 12.686 -8.852 1.00 0.00 C ATOM 0 H ALA A 19 2.398 14.232 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 19 1.266 12.084 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.132 11.869 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.084 13.575 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.997 12.897 -9.839 1.00 0.00 H new ATOM 258 N ARG A 20 3.234 11.172 -9.402 1.00 0.00 N ATOM 259 CA ARG A 20 3.985 10.051 -9.942 1.00 0.00 C ATOM 260 C ARG A 20 4.746 9.335 -8.824 1.00 0.00 C ATOM 261 O ARG A 20 4.539 8.146 -8.591 1.00 0.00 O ATOM 262 CB ARG A 20 4.978 10.516 -11.009 1.00 0.00 C ATOM 263 CG ARG A 20 4.918 9.614 -12.244 1.00 0.00 C ATOM 264 CD ARG A 20 6.271 8.951 -12.504 1.00 0.00 C ATOM 265 NE ARG A 20 6.158 7.993 -13.627 1.00 0.00 N ATOM 266 CZ ARG A 20 7.067 7.048 -13.903 1.00 0.00 C ATOM 267 NH1 ARG A 20 8.162 6.929 -13.141 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.881 6.222 -14.942 1.00 0.00 N ATOM 0 H ARG A 20 3.375 12.055 -9.892 1.00 0.00 H new ATOM 0 HA ARG A 20 3.273 9.364 -10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.756 11.544 -11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.988 10.510 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.155 8.849 -12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.624 10.201 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.018 9.710 -12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.610 8.434 -11.607 1.00 0.00 H new ATOM 0 HE ARG A 20 5.337 8.056 -14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.304 7.558 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.854 6.210 -13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.047 6.313 -15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.573 5.503 -15.152 1.00 0.00 H new ATOM 282 N GLN A 21 5.612 10.090 -8.164 1.00 0.00 N ATOM 283 CA GLN A 21 6.405 9.542 -7.077 1.00 0.00 C ATOM 284 C GLN A 21 5.499 8.858 -6.051 1.00 0.00 C ATOM 285 O GLN A 21 5.612 7.655 -5.822 1.00 0.00 O ATOM 286 CB GLN A 21 7.257 10.629 -6.418 1.00 0.00 C ATOM 287 CG GLN A 21 8.444 11.009 -7.305 1.00 0.00 C ATOM 288 CD GLN A 21 9.547 11.681 -6.486 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.513 11.724 -5.267 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.525 12.203 -7.221 1.00 0.00 N ATOM 0 H GLN A 21 5.782 11.076 -8.361 1.00 0.00 H new ATOM 0 HA GLN A 21 7.083 8.795 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.644 11.510 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.619 10.277 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.839 10.117 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.111 11.682 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.492 12.132 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.308 12.674 -6.768 1.00 0.00 H new ATOM 299 N LEU A 22 4.620 9.655 -5.461 1.00 0.00 N ATOM 300 CA LEU A 22 3.695 9.141 -4.465 1.00 0.00 C ATOM 301 C LEU A 22 3.143 7.794 -4.934 1.00 0.00 C ATOM 302 O LEU A 22 3.310 6.781 -4.257 1.00 0.00 O ATOM 303 CB LEU A 22 2.611 10.176 -4.156 1.00 0.00 C ATOM 304 CG LEU A 22 3.053 11.382 -3.325 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.963 12.456 -3.295 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.474 10.954 -1.918 1.00 0.00 C ATOM 0 H LEU A 22 4.529 10.653 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 22 4.212 8.963 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.204 10.539 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.798 9.676 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 22 3.928 11.824 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.302 13.302 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.753 12.790 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.056 12.042 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.784 11.830 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.633 10.474 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.305 10.252 -1.985 1.00 0.00 H new ATOM 318 N ARG A 23 2.497 7.826 -6.091 1.00 0.00 N ATOM 319 CA ARG A 23 1.919 6.620 -6.659 1.00 0.00 C ATOM 320 C ARG A 23 2.868 5.435 -6.466 1.00 0.00 C ATOM 321 O ARG A 23 2.424 4.306 -6.263 1.00 0.00 O ATOM 322 CB ARG A 23 1.632 6.796 -8.151 1.00 0.00 C ATOM 323 CG ARG A 23 0.347 7.596 -8.371 1.00 0.00 C ATOM 324 CD ARG A 23 -0.244 7.315 -9.754 1.00 0.00 C ATOM 325 NE ARG A 23 0.778 7.551 -10.799 1.00 0.00 N ATOM 326 CZ ARG A 23 0.645 7.175 -12.078 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.466 6.542 -12.478 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.624 7.431 -12.956 1.00 0.00 N ATOM 0 H ARG A 23 2.361 8.668 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 23 0.980 6.427 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.469 7.306 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.542 5.819 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.381 7.340 -7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.556 8.661 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.597 6.285 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.108 7.957 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 23 1.637 8.030 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.211 6.346 -11.809 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.567 6.256 -13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.470 7.912 -12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.523 7.145 -13.930 1.00 0.00 H new ATOM 342 N GLU A 24 4.157 5.733 -6.535 1.00 0.00 N ATOM 343 CA GLU A 24 5.173 4.707 -6.371 1.00 0.00 C ATOM 344 C GLU A 24 5.299 4.317 -4.897 1.00 0.00 C ATOM 345 O GLU A 24 5.295 3.134 -4.561 1.00 0.00 O ATOM 346 CB GLU A 24 6.518 5.171 -6.933 1.00 0.00 C ATOM 347 CG GLU A 24 6.358 5.722 -8.352 1.00 0.00 C ATOM 348 CD GLU A 24 7.502 5.252 -9.254 1.00 0.00 C ATOM 349 OE1 GLU A 24 7.778 4.033 -9.230 1.00 0.00 O ATOM 350 OE2 GLU A 24 8.072 6.122 -9.946 1.00 0.00 O ATOM 0 H GLU A 24 4.521 6.671 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 24 4.867 3.826 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.941 5.940 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.221 4.338 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.405 5.396 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.337 6.811 -8.323 1.00 0.00 H new ATOM 357 N GLN A 25 5.409 5.335 -4.056 1.00 0.00 N ATOM 358 CA GLN A 25 5.537 5.114 -2.625 1.00 0.00 C ATOM 359 C GLN A 25 4.334 4.328 -2.100 1.00 0.00 C ATOM 360 O GLN A 25 4.496 3.276 -1.485 1.00 0.00 O ATOM 361 CB GLN A 25 5.695 6.439 -1.878 1.00 0.00 C ATOM 362 CG GLN A 25 7.157 6.681 -1.494 1.00 0.00 C ATOM 363 CD GLN A 25 7.260 7.342 -0.118 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.186 6.698 0.916 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.434 8.660 -0.162 1.00 0.00 N ATOM 0 H GLN A 25 5.412 6.315 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 25 6.437 4.525 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.339 7.258 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.076 6.431 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.697 5.734 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.633 7.314 -2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.487 9.138 -1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.514 9.193 0.704 1.00 0.00 H new ATOM 374 N VAL A 26 3.154 4.870 -2.363 1.00 0.00 N ATOM 375 CA VAL A 26 1.924 4.233 -1.924 1.00 0.00 C ATOM 376 C VAL A 26 1.933 2.765 -2.355 1.00 0.00 C ATOM 377 O VAL A 26 1.734 1.871 -1.533 1.00 0.00 O ATOM 378 CB VAL A 26 0.715 5.005 -2.458 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.586 4.252 -2.171 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.670 6.420 -1.878 1.00 0.00 C ATOM 0 H VAL A 26 3.024 5.743 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 26 1.851 4.253 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 26 0.821 5.089 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.430 4.822 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.555 3.275 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.702 4.122 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.198 6.948 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.598 6.366 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.578 6.956 -2.156 1.00 0.00 H new ATOM 390 N ASN A 27 2.167 2.561 -3.643 1.00 0.00 N ATOM 391 CA ASN A 27 2.205 1.216 -4.193 1.00 0.00 C ATOM 392 C ASN A 27 3.092 0.334 -3.311 1.00 0.00 C ATOM 393 O ASN A 27 2.597 -0.560 -2.626 1.00 0.00 O ATOM 394 CB ASN A 27 2.794 1.216 -5.605 1.00 0.00 C ATOM 395 CG ASN A 27 2.882 -0.207 -6.162 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.584 -1.182 -5.493 1.00 0.00 O ATOM 397 ND2 ASN A 27 3.306 -0.270 -7.421 1.00 0.00 N ATOM 0 H ASN A 27 2.332 3.304 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 27 1.184 0.836 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.176 1.830 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.787 1.666 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.398 -1.174 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.539 0.586 -7.924 1.00 0.00 H new ATOM 404 N ASP A 28 4.385 0.617 -3.357 1.00 0.00 N ATOM 405 CA ASP A 28 5.345 -0.140 -2.571 1.00 0.00 C ATOM 406 C ASP A 28 4.865 -0.213 -1.120 1.00 0.00 C ATOM 407 O ASP A 28 4.878 -1.281 -0.511 1.00 0.00 O ATOM 408 CB ASP A 28 6.718 0.533 -2.581 1.00 0.00 C ATOM 409 CG ASP A 28 7.909 -0.426 -2.638 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.141 -0.978 -3.735 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.559 -0.586 -1.583 1.00 0.00 O ATOM 0 H ASP A 28 4.791 1.360 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 28 5.428 -1.135 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.770 1.204 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.810 1.150 -1.687 1.00 0.00 H new ATOM 416 N LEU A 29 4.452 0.938 -0.609 1.00 0.00 N ATOM 417 CA LEU A 29 3.968 1.018 0.759 1.00 0.00 C ATOM 418 C LEU A 29 3.084 -0.196 1.055 1.00 0.00 C ATOM 419 O LEU A 29 3.434 -1.036 1.882 1.00 0.00 O ATOM 420 CB LEU A 29 3.273 2.359 1.004 1.00 0.00 C ATOM 421 CG LEU A 29 2.031 2.318 1.897 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.353 1.691 3.255 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.413 3.710 2.040 1.00 0.00 C ATOM 0 H LEU A 29 4.443 1.822 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 29 4.802 0.984 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.995 3.043 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.989 2.780 0.040 1.00 0.00 H new ATOM 0 HG LEU A 29 1.286 1.683 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.453 1.674 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.712 0.672 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.123 2.279 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.532 3.653 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.141 4.387 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.125 4.083 1.057 1.00 0.00 H new ATOM 435 N PHE A 30 1.956 -0.249 0.363 1.00 0.00 N ATOM 436 CA PHE A 30 1.020 -1.345 0.541 1.00 0.00 C ATOM 437 C PHE A 30 1.722 -2.696 0.389 1.00 0.00 C ATOM 438 O PHE A 30 1.512 -3.603 1.193 1.00 0.00 O ATOM 439 CB PHE A 30 -0.042 -1.209 -0.553 1.00 0.00 C ATOM 440 CG PHE A 30 -0.972 -0.008 -0.371 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.400 0.339 0.872 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.369 0.714 -1.454 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.263 1.454 1.040 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.232 1.829 -1.286 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.661 2.175 -0.042 1.00 0.00 C ATOM 0 H PHE A 30 1.669 0.450 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 30 0.584 -1.303 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.455 -1.127 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.641 -2.119 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.084 -0.233 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.028 0.439 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.603 1.729 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.548 2.402 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.318 3.023 0.086 1.00 0.00 H new ATOM 455 N SER A 31 2.541 -2.787 -0.649 1.00 0.00 N ATOM 456 CA SER A 31 3.275 -4.012 -0.917 1.00 0.00 C ATOM 457 C SER A 31 4.104 -4.405 0.308 1.00 0.00 C ATOM 458 O SER A 31 3.960 -5.508 0.832 1.00 0.00 O ATOM 459 CB SER A 31 4.179 -3.856 -2.141 1.00 0.00 C ATOM 460 OG SER A 31 3.446 -3.472 -3.301 1.00 0.00 O ATOM 0 H SER A 31 2.712 -2.033 -1.314 1.00 0.00 H new ATOM 0 HA SER A 31 2.555 -4.802 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.945 -3.109 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.695 -4.797 -2.333 1.00 0.00 H new ATOM 0 HG SER A 31 3.123 -2.553 -3.195 1.00 0.00 H new ATOM 466 N ARG A 32 4.953 -3.479 0.729 1.00 0.00 N ATOM 467 CA ARG A 32 5.805 -3.714 1.883 1.00 0.00 C ATOM 468 C ARG A 32 4.995 -4.335 3.023 1.00 0.00 C ATOM 469 O ARG A 32 5.199 -5.496 3.374 1.00 0.00 O ATOM 470 CB ARG A 32 6.444 -2.412 2.370 1.00 0.00 C ATOM 471 CG ARG A 32 7.964 -2.552 2.471 1.00 0.00 C ATOM 472 CD ARG A 32 8.471 -2.064 3.830 1.00 0.00 C ATOM 473 NE ARG A 32 9.462 -3.019 4.374 1.00 0.00 N ATOM 474 CZ ARG A 32 10.759 -3.030 4.037 1.00 0.00 C ATOM 475 NH1 ARG A 32 11.229 -2.136 3.156 1.00 0.00 N ATOM 476 NH2 ARG A 32 11.585 -3.933 4.581 1.00 0.00 N ATOM 0 H ARG A 32 5.069 -2.565 0.292 1.00 0.00 H new ATOM 0 HA ARG A 32 6.595 -4.401 1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.195 -1.602 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.034 -2.144 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.247 -3.595 2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.439 -1.979 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.923 -1.078 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.636 -1.960 4.523 1.00 0.00 H new ATOM 0 HE ARG A 32 9.137 -3.713 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.600 -1.448 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.216 -2.144 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.227 -4.613 5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.572 -3.941 4.324 1.00 0.00 H new ATOM 490 N LYS A 33 4.092 -3.533 3.570 1.00 0.00 N ATOM 491 CA LYS A 33 3.251 -3.989 4.663 1.00 0.00 C ATOM 492 C LYS A 33 2.606 -5.323 4.282 1.00 0.00 C ATOM 493 O LYS A 33 2.803 -6.328 4.964 1.00 0.00 O ATOM 494 CB LYS A 33 2.241 -2.906 5.049 1.00 0.00 C ATOM 495 CG LYS A 33 2.919 -1.774 5.823 1.00 0.00 C ATOM 496 CD LYS A 33 3.537 -0.751 4.869 1.00 0.00 C ATOM 497 CE LYS A 33 3.691 0.611 5.550 1.00 0.00 C ATOM 498 NZ LYS A 33 4.184 0.445 6.935 1.00 0.00 N ATOM 0 H LYS A 33 3.925 -2.571 3.276 1.00 0.00 H new ATOM 0 HA LYS A 33 3.850 -4.167 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.770 -2.506 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.449 -3.343 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.190 -1.282 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.692 -2.185 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.511 -1.105 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.910 -0.650 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.385 1.231 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.733 1.130 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.507 1.363 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.416 0.084 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.976 -0.229 6.943 1.00 0.00 H new ATOM 512 N PHE A 34 1.850 -5.290 3.195 1.00 0.00 N ATOM 513 CA PHE A 34 1.176 -6.485 2.716 1.00 0.00 C ATOM 514 C PHE A 34 2.063 -7.720 2.882 1.00 0.00 C ATOM 515 O PHE A 34 1.585 -8.785 3.269 1.00 0.00 O ATOM 516 CB PHE A 34 0.892 -6.272 1.227 1.00 0.00 C ATOM 517 CG PHE A 34 0.278 -7.488 0.531 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.969 -7.909 0.872 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.979 -8.147 -0.430 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.539 -9.038 0.226 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.410 -9.275 -1.077 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.837 -9.697 -0.735 1.00 0.00 C ATOM 0 H PHE A 34 1.689 -4.455 2.632 1.00 0.00 H new ATOM 0 HA PHE A 34 0.261 -6.649 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.218 -5.423 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.823 -6.010 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.526 -7.385 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.969 -7.812 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.529 -9.373 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.967 -9.798 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.270 -10.556 -1.227 1.00 0.00 H new ATOM 532 N GLY A 35 3.341 -7.536 2.582 1.00 0.00 N ATOM 533 CA GLY A 35 4.300 -8.621 2.694 1.00 0.00 C ATOM 534 C GLY A 35 4.148 -9.352 4.030 1.00 0.00 C ATOM 535 O GLY A 35 4.310 -10.569 4.098 1.00 0.00 O ATOM 0 H GLY A 35 3.734 -6.651 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.157 -9.323 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.312 -8.227 2.604 1.00 0.00 H new ATOM 539 N GLU A 36 3.839 -8.577 5.059 1.00 0.00 N ATOM 540 CA GLU A 36 3.664 -9.135 6.390 1.00 0.00 C ATOM 541 C GLU A 36 2.496 -10.124 6.401 1.00 0.00 C ATOM 542 O GLU A 36 2.607 -11.213 6.960 1.00 0.00 O ATOM 543 CB GLU A 36 3.456 -8.028 7.425 1.00 0.00 C ATOM 544 CG GLU A 36 4.568 -6.982 7.341 1.00 0.00 C ATOM 545 CD GLU A 36 5.817 -7.448 8.092 1.00 0.00 C ATOM 546 OE1 GLU A 36 6.460 -8.395 7.591 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.101 -6.845 9.150 1.00 0.00 O ATOM 0 H GLU A 36 3.705 -7.568 4.999 1.00 0.00 H new ATOM 0 HA GLU A 36 4.573 -9.673 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.490 -7.550 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.434 -8.460 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.817 -6.793 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.218 -6.039 7.761 1.00 0.00 H new ATOM 554 N ALA A 37 1.404 -9.707 5.777 1.00 0.00 N ATOM 555 CA ALA A 37 0.217 -10.543 5.708 1.00 0.00 C ATOM 556 C ALA A 37 0.577 -11.879 5.056 1.00 0.00 C ATOM 557 O ALA A 37 -0.166 -12.852 5.176 1.00 0.00 O ATOM 558 CB ALA A 37 -0.886 -9.802 4.950 1.00 0.00 C ATOM 0 H ALA A 37 1.316 -8.802 5.315 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.162 -10.756 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.776 -10.429 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.125 -8.875 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.544 -9.574 3.941 1.00 0.00 H new ATOM 564 N ILE A 38 1.716 -11.884 4.379 1.00 0.00 N ATOM 565 CA ILE A 38 2.182 -13.085 3.708 1.00 0.00 C ATOM 566 C ILE A 38 3.540 -13.491 4.283 1.00 0.00 C ATOM 567 O ILE A 38 4.257 -14.293 3.687 1.00 0.00 O ATOM 568 CB ILE A 38 2.194 -12.881 2.191 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.689 -11.479 1.830 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.819 -13.177 1.588 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.573 -11.227 0.325 1.00 0.00 C ATOM 0 H ILE A 38 2.330 -11.075 4.281 1.00 0.00 H new ATOM 0 HA ILE A 38 1.497 -13.913 3.891 1.00 0.00 H new ATOM 0 HB ILE A 38 2.897 -13.592 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.108 -10.733 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.727 -11.364 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.854 -13.025 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.544 -14.210 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.078 -12.507 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.931 -10.224 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.174 -11.959 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.531 -11.319 0.020 1.00 0.00 H new ATOM 583 N GLY A 39 3.853 -12.919 5.437 1.00 0.00 N ATOM 584 CA GLY A 39 5.113 -13.211 6.100 1.00 0.00 C ATOM 585 C GLY A 39 6.289 -13.057 5.134 1.00 0.00 C ATOM 586 O GLY A 39 7.368 -13.598 5.374 1.00 0.00 O ATOM 0 H GLY A 39 3.256 -12.255 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.245 -12.541 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.093 -14.226 6.496 1.00 0.00 H new ATOM 590 N MET A 40 6.042 -12.318 4.063 1.00 0.00 N ATOM 591 CA MET A 40 7.067 -12.087 3.060 1.00 0.00 C ATOM 592 C MET A 40 8.069 -11.032 3.533 1.00 0.00 C ATOM 593 O MET A 40 7.683 -10.027 4.128 1.00 0.00 O ATOM 594 CB MET A 40 6.412 -11.622 1.757 1.00 0.00 C ATOM 595 CG MET A 40 5.485 -12.701 1.194 1.00 0.00 C ATOM 596 SD MET A 40 6.447 -14.077 0.587 1.00 0.00 S ATOM 597 CE MET A 40 5.811 -14.189 -1.077 1.00 0.00 C ATOM 0 H MET A 40 5.146 -11.871 3.868 1.00 0.00 H new ATOM 0 HA MET A 40 7.603 -13.021 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.845 -10.708 1.936 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.182 -11.381 1.024 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.797 -13.041 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.879 -12.287 0.388 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.603 -14.522 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.988 -14.903 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.453 -13.210 -1.396 1.00 0.00 H new ATOM 607 N GLY A 41 9.336 -11.296 3.251 1.00 0.00 N ATOM 608 CA GLY A 41 10.396 -10.382 3.640 1.00 0.00 C ATOM 609 C GLY A 41 10.524 -9.232 2.638 1.00 0.00 C ATOM 610 O GLY A 41 11.193 -8.237 2.912 1.00 0.00 O ATOM 0 H GLY A 41 9.653 -12.131 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.190 -9.983 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.341 -10.921 3.703 1.00 0.00 H new ATOM 614 N PHE A 42 9.872 -9.408 1.498 1.00 0.00 N ATOM 615 CA PHE A 42 9.904 -8.398 0.455 1.00 0.00 C ATOM 616 C PHE A 42 8.497 -7.880 0.149 1.00 0.00 C ATOM 617 O PHE A 42 7.507 -8.506 0.522 1.00 0.00 O ATOM 618 CB PHE A 42 10.472 -9.067 -0.799 1.00 0.00 C ATOM 619 CG PHE A 42 9.956 -10.489 -1.032 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.625 -10.711 -1.200 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.829 -11.531 -1.071 1.00 0.00 C ATOM 622 CE1 PHE A 42 8.147 -12.030 -1.417 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.351 -12.850 -1.288 1.00 0.00 C ATOM 624 CZ PHE A 42 9.020 -13.072 -1.456 1.00 0.00 C ATOM 0 H PHE A 42 9.319 -10.235 1.274 1.00 0.00 H new ATOM 0 HA PHE A 42 10.512 -7.552 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.227 -8.455 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.559 -9.093 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.931 -9.884 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.886 -11.355 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.090 -12.206 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.045 -13.677 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.656 -14.076 -1.620 1.00 0.00 H new ATOM 634 N PRO A 43 8.453 -6.711 -0.544 1.00 0.00 N ATOM 635 CA PRO A 43 7.184 -6.101 -0.904 1.00 0.00 C ATOM 636 C PRO A 43 6.524 -6.853 -2.062 1.00 0.00 C ATOM 637 O PRO A 43 7.119 -7.006 -3.127 1.00 0.00 O ATOM 638 CB PRO A 43 7.523 -4.660 -1.249 1.00 0.00 C ATOM 639 CG PRO A 43 9.019 -4.637 -1.518 1.00 0.00 C ATOM 640 CD PRO A 43 9.606 -5.941 -1.003 1.00 0.00 C ATOM 0 HA PRO A 43 6.454 -6.142 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.964 -4.326 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.263 -3.991 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.213 -4.526 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.483 -3.786 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.148 -6.469 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.312 -5.764 -0.192 1.00 0.00 H new ATOM 648 N VAL A 44 5.302 -7.302 -1.814 1.00 0.00 N ATOM 649 CA VAL A 44 4.555 -8.034 -2.822 1.00 0.00 C ATOM 650 C VAL A 44 3.424 -7.151 -3.353 1.00 0.00 C ATOM 651 O VAL A 44 3.034 -6.179 -2.707 1.00 0.00 O ATOM 652 CB VAL A 44 4.056 -9.360 -2.244 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.488 -10.259 -3.344 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.167 -10.073 -1.471 1.00 0.00 C ATOM 0 H VAL A 44 4.811 -7.173 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 44 5.197 -8.284 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 44 3.250 -9.139 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.141 -11.195 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.654 -9.755 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.265 -10.469 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.786 -11.013 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.003 -10.276 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.504 -9.439 -0.651 1.00 0.00 H new ATOM 664 N LYS A 45 2.930 -7.519 -4.526 1.00 0.00 N ATOM 665 CA LYS A 45 1.852 -6.772 -5.152 1.00 0.00 C ATOM 666 C LYS A 45 0.619 -6.810 -4.247 1.00 0.00 C ATOM 667 O LYS A 45 0.522 -7.654 -3.358 1.00 0.00 O ATOM 668 CB LYS A 45 1.592 -7.292 -6.567 1.00 0.00 C ATOM 669 CG LYS A 45 2.596 -6.703 -7.561 1.00 0.00 C ATOM 670 CD LYS A 45 3.137 -7.784 -8.499 1.00 0.00 C ATOM 671 CE LYS A 45 4.198 -7.212 -9.440 1.00 0.00 C ATOM 672 NZ LYS A 45 5.542 -7.311 -8.827 1.00 0.00 N ATOM 0 H LYS A 45 3.256 -8.325 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 45 2.131 -5.725 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.661 -8.380 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.578 -7.034 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.117 -5.917 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.421 -6.240 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.566 -8.597 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.319 -8.207 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.183 -7.753 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.970 -6.170 -9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.251 -6.918 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.557 -6.776 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.763 -8.309 -8.635 1.00 0.00 H new ATOM 686 N VAL A 46 -0.293 -5.884 -4.505 1.00 0.00 N ATOM 687 CA VAL A 46 -1.516 -5.801 -3.724 1.00 0.00 C ATOM 688 C VAL A 46 -2.714 -5.699 -4.671 1.00 0.00 C ATOM 689 O VAL A 46 -2.877 -4.699 -5.368 1.00 0.00 O ATOM 690 CB VAL A 46 -1.431 -4.631 -2.741 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.760 -4.431 -2.011 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.285 -4.833 -1.748 1.00 0.00 C ATOM 0 H VAL A 46 -0.210 -5.185 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.649 -6.702 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.224 -3.726 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.672 -3.594 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.546 -4.221 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.010 -5.335 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.246 -3.988 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.449 -5.752 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.658 -4.903 -2.290 1.00 0.00 H new ATOM 702 N PRO A 47 -3.544 -6.777 -4.665 1.00 0.00 N ATOM 703 CA PRO A 47 -4.722 -6.819 -5.515 1.00 0.00 C ATOM 704 C PRO A 47 -5.829 -5.920 -4.961 1.00 0.00 C ATOM 705 O PRO A 47 -6.816 -6.411 -4.415 1.00 0.00 O ATOM 706 CB PRO A 47 -5.117 -8.286 -5.567 1.00 0.00 C ATOM 707 CG PRO A 47 -4.433 -8.944 -4.380 1.00 0.00 C ATOM 708 CD PRO A 47 -3.382 -7.980 -3.853 1.00 0.00 C ATOM 0 HA PRO A 47 -4.532 -6.436 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.199 -8.401 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.799 -8.743 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.160 -9.178 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.972 -9.885 -4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.534 -7.767 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.379 -8.394 -3.954 1.00 0.00 H new ATOM 716 N TYR A 48 -5.628 -4.621 -5.121 1.00 0.00 N ATOM 717 CA TYR A 48 -6.598 -3.649 -4.644 1.00 0.00 C ATOM 718 C TYR A 48 -8.010 -4.012 -5.106 1.00 0.00 C ATOM 719 O TYR A 48 -8.978 -3.811 -4.373 1.00 0.00 O ATOM 720 CB TYR A 48 -6.197 -2.312 -5.270 1.00 0.00 C ATOM 721 CG TYR A 48 -4.733 -1.930 -5.039 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.218 -1.916 -3.759 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.929 -1.600 -6.111 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.840 -1.557 -3.541 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.552 -1.241 -5.893 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.075 -1.237 -4.620 1.00 0.00 C ATOM 727 OH TYR A 48 -0.774 -0.898 -4.414 1.00 0.00 O ATOM 0 H TYR A 48 -4.808 -4.218 -5.574 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.604 -3.615 -3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.386 -2.354 -6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.835 -1.527 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.848 -2.174 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.333 -1.611 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.424 -1.542 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.912 -0.980 -6.723 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.349 -0.695 -5.273 1.00 0.00 H new ATOM 737 N ARG A 49 -8.085 -4.540 -6.319 1.00 0.00 N ATOM 738 CA ARG A 49 -9.363 -4.933 -6.887 1.00 0.00 C ATOM 739 C ARG A 49 -10.076 -5.918 -5.958 1.00 0.00 C ATOM 740 O ARG A 49 -11.150 -5.619 -5.438 1.00 0.00 O ATOM 741 CB ARG A 49 -9.180 -5.580 -8.261 1.00 0.00 C ATOM 742 CG ARG A 49 -10.530 -5.811 -8.943 1.00 0.00 C ATOM 743 CD ARG A 49 -10.958 -4.580 -9.743 1.00 0.00 C ATOM 744 NE ARG A 49 -12.302 -4.136 -9.308 1.00 0.00 N ATOM 745 CZ ARG A 49 -13.121 -3.380 -10.052 1.00 0.00 C ATOM 746 NH1 ARG A 49 -12.738 -2.979 -11.272 1.00 0.00 N ATOM 747 NH2 ARG A 49 -14.322 -3.026 -9.576 1.00 0.00 N ATOM 0 H ARG A 49 -7.281 -4.705 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.966 -4.032 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.557 -4.942 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.656 -6.530 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.464 -6.674 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.286 -6.042 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.237 -3.775 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.970 -4.814 -10.808 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.625 -4.424 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.823 -3.249 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.361 -2.404 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.613 -3.332 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.946 -2.451 -10.142 1.00 0.00 H new ATOM 761 N LYS A 50 -9.451 -7.072 -5.779 1.00 0.00 N ATOM 762 CA LYS A 50 -10.012 -8.103 -4.923 1.00 0.00 C ATOM 763 C LYS A 50 -10.503 -7.466 -3.621 1.00 0.00 C ATOM 764 O LYS A 50 -11.668 -7.613 -3.254 1.00 0.00 O ATOM 765 CB LYS A 50 -9.003 -9.233 -4.713 1.00 0.00 C ATOM 766 CG LYS A 50 -8.623 -9.883 -6.045 1.00 0.00 C ATOM 767 CD LYS A 50 -9.018 -11.361 -6.067 1.00 0.00 C ATOM 768 CE LYS A 50 -8.183 -12.136 -7.088 1.00 0.00 C ATOM 769 NZ LYS A 50 -8.023 -11.349 -8.331 1.00 0.00 N ATOM 0 H LYS A 50 -8.561 -7.316 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.877 -8.565 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.109 -8.842 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.426 -9.984 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.117 -9.359 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.549 -9.787 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.880 -11.793 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.076 -11.455 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.204 -12.365 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.664 -13.088 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.765 -11.984 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.918 -10.869 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.273 -10.640 -8.199 1.00 0.00 H new ATOM 783 N ILE A 51 -9.589 -6.773 -2.957 1.00 0.00 N ATOM 784 CA ILE A 51 -9.913 -6.114 -1.704 1.00 0.00 C ATOM 785 C ILE A 51 -11.106 -5.180 -1.918 1.00 0.00 C ATOM 786 O ILE A 51 -11.888 -4.945 -0.998 1.00 0.00 O ATOM 787 CB ILE A 51 -8.679 -5.414 -1.131 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.783 -6.405 -0.386 1.00 0.00 C ATOM 789 CG2 ILE A 51 -9.080 -4.229 -0.250 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.346 -6.344 -0.906 1.00 0.00 C ATOM 0 H ILE A 51 -8.624 -6.654 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.211 -6.847 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.097 -5.015 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.797 -6.182 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.174 -7.415 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.184 -3.749 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.646 -3.510 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.696 -4.582 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.731 -7.058 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.332 -6.591 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.949 -5.339 -0.762 1.00 0.00 H new ATOM 802 N THR A 52 -11.208 -4.672 -3.137 1.00 0.00 N ATOM 803 CA THR A 52 -12.292 -3.769 -3.484 1.00 0.00 C ATOM 804 C THR A 52 -13.605 -4.541 -3.624 1.00 0.00 C ATOM 805 O THR A 52 -14.522 -4.364 -2.823 1.00 0.00 O ATOM 806 CB THR A 52 -11.892 -3.015 -4.754 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.762 -1.662 -4.328 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.018 -2.974 -5.789 1.00 0.00 C ATOM 0 H THR A 52 -10.557 -4.869 -3.897 1.00 0.00 H new ATOM 0 HA THR A 52 -12.464 -3.037 -2.695 1.00 0.00 H new ATOM 0 HB THR A 52 -11.012 -3.485 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.503 -1.103 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.682 -2.428 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.288 -3.991 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.887 -2.474 -5.362 1.00 0.00 H new ATOM 816 N ILE A 53 -13.654 -5.382 -4.647 1.00 0.00 N ATOM 817 CA ILE A 53 -14.840 -6.182 -4.902 1.00 0.00 C ATOM 818 C ILE A 53 -15.310 -6.821 -3.594 1.00 0.00 C ATOM 819 O ILE A 53 -16.511 -6.953 -3.360 1.00 0.00 O ATOM 820 CB ILE A 53 -14.574 -7.193 -6.019 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.358 -8.062 -5.694 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.432 -6.491 -7.371 1.00 0.00 C ATOM 823 CD1 ILE A 53 -12.939 -8.895 -6.907 1.00 0.00 C ATOM 0 H ILE A 53 -12.892 -5.527 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.654 -5.552 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.435 -7.858 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.528 -7.429 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.591 -8.722 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.243 -7.232 -8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.351 -5.952 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.600 -5.788 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.072 -9.504 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.763 -9.544 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.683 -8.232 -7.733 1.00 0.00 H new ATOM 835 N ASN A 54 -14.340 -7.200 -2.775 1.00 0.00 N ATOM 836 CA ASN A 54 -14.639 -7.821 -1.496 1.00 0.00 C ATOM 837 C ASN A 54 -13.334 -8.075 -0.740 1.00 0.00 C ATOM 838 O ASN A 54 -12.426 -8.722 -1.260 1.00 0.00 O ATOM 839 CB ASN A 54 -15.343 -9.166 -1.689 1.00 0.00 C ATOM 840 CG ASN A 54 -14.362 -10.233 -2.179 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.651 -10.859 -1.411 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.364 -10.404 -3.498 1.00 0.00 N ATOM 0 H ASN A 54 -13.346 -7.089 -2.973 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.291 -7.149 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.792 -9.484 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.155 -9.056 -2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.744 -11.093 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.985 -9.846 -4.084 1.00 0.00 H new ATOM 849 N PRO A 55 -13.280 -7.540 0.509 1.00 0.00 N ATOM 850 CA PRO A 55 -12.101 -7.702 1.343 1.00 0.00 C ATOM 851 C PRO A 55 -12.022 -9.120 1.911 1.00 0.00 C ATOM 852 O PRO A 55 -10.935 -9.614 2.207 1.00 0.00 O ATOM 853 CB PRO A 55 -12.232 -6.637 2.420 1.00 0.00 C ATOM 854 CG PRO A 55 -13.696 -6.228 2.427 1.00 0.00 C ATOM 855 CD PRO A 55 -14.336 -6.768 1.158 1.00 0.00 C ATOM 0 HA PRO A 55 -11.172 -7.576 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.931 -7.026 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.589 -5.783 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.200 -6.626 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.789 -5.143 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.200 -7.392 1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.687 -5.960 0.517 1.00 0.00 H new ATOM 863 N GLY A 56 -13.188 -9.736 2.045 1.00 0.00 N ATOM 864 CA GLY A 56 -13.264 -11.088 2.572 1.00 0.00 C ATOM 865 C GLY A 56 -11.889 -11.758 2.562 1.00 0.00 C ATOM 866 O GLY A 56 -11.351 -12.095 3.616 1.00 0.00 O ATOM 0 H GLY A 56 -14.087 -9.323 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.654 -11.064 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.963 -11.675 1.977 1.00 0.00 H new ATOM 870 N CYS A 57 -11.359 -11.932 1.360 1.00 0.00 N ATOM 871 CA CYS A 57 -10.056 -12.556 1.200 1.00 0.00 C ATOM 872 C CYS A 57 -9.043 -11.778 2.042 1.00 0.00 C ATOM 873 O CYS A 57 -8.817 -12.105 3.206 1.00 0.00 O ATOM 874 CB CYS A 57 -9.640 -12.627 -0.271 1.00 0.00 C ATOM 875 SG CYS A 57 -10.646 -13.881 -1.145 1.00 0.00 S ATOM 0 H CYS A 57 -11.808 -11.652 0.488 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.099 -13.588 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.769 -11.652 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.582 -12.880 -0.347 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.287 -13.932 -2.393 1.00 0.00 H new ATOM 881 N VAL A 58 -8.461 -10.762 1.422 1.00 0.00 N ATOM 882 CA VAL A 58 -7.478 -9.935 2.100 1.00 0.00 C ATOM 883 C VAL A 58 -8.151 -8.654 2.597 1.00 0.00 C ATOM 884 O VAL A 58 -8.955 -8.054 1.884 1.00 0.00 O ATOM 885 CB VAL A 58 -6.292 -9.665 1.172 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.409 -8.543 1.722 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.477 -10.939 0.940 1.00 0.00 C ATOM 0 H VAL A 58 -8.652 -10.493 0.457 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.080 -10.453 2.973 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.687 -9.339 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.574 -8.372 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.996 -7.629 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.027 -8.828 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.640 -10.720 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.098 -11.307 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.112 -11.699 0.484 1.00 0.00 H new ATOM 897 N VAL A 59 -7.799 -8.272 3.816 1.00 0.00 N ATOM 898 CA VAL A 59 -8.359 -7.074 4.416 1.00 0.00 C ATOM 899 C VAL A 59 -7.276 -5.996 4.497 1.00 0.00 C ATOM 900 O VAL A 59 -6.094 -6.282 4.312 1.00 0.00 O ATOM 901 CB VAL A 59 -8.973 -7.408 5.777 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.550 -6.156 6.440 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.037 -8.500 5.645 1.00 0.00 C ATOM 0 H VAL A 59 -7.132 -8.772 4.404 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.166 -6.679 3.799 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.179 -7.790 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.980 -6.421 7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.757 -5.423 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.325 -5.731 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.458 -8.719 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.829 -8.158 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.583 -9.402 5.235 1.00 0.00 H new ATOM 913 N VAL A 60 -7.719 -4.778 4.773 1.00 0.00 N ATOM 914 CA VAL A 60 -6.802 -3.655 4.881 1.00 0.00 C ATOM 915 C VAL A 60 -7.231 -2.762 6.046 1.00 0.00 C ATOM 916 O VAL A 60 -8.366 -2.288 6.085 1.00 0.00 O ATOM 917 CB VAL A 60 -6.733 -2.907 3.548 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.972 -1.588 3.699 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.106 -3.781 2.460 1.00 0.00 C ATOM 0 H VAL A 60 -8.700 -4.544 4.925 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.792 -4.005 5.095 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.753 -2.673 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.937 -1.076 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.479 -0.957 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.956 -1.791 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.069 -3.225 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.095 -4.061 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.707 -4.680 2.325 1.00 0.00 H new ATOM 929 N ASP A 61 -6.301 -2.559 6.968 1.00 0.00 N ATOM 930 CA ASP A 61 -6.569 -1.732 8.132 1.00 0.00 C ATOM 931 C ASP A 61 -5.532 -0.609 8.203 1.00 0.00 C ATOM 932 O ASP A 61 -4.603 -0.565 7.398 1.00 0.00 O ATOM 933 CB ASP A 61 -6.472 -2.548 9.422 1.00 0.00 C ATOM 934 CG ASP A 61 -7.776 -3.214 9.866 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.747 -3.139 9.082 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.773 -3.783 10.978 1.00 0.00 O ATOM 0 H ASP A 61 -5.361 -2.953 6.932 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.578 -1.330 8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.714 -3.320 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.125 -1.894 10.222 1.00 0.00 H new ATOM 941 N GLY A 62 -5.726 0.271 9.174 1.00 0.00 N ATOM 942 CA GLY A 62 -4.819 1.391 9.362 1.00 0.00 C ATOM 943 C GLY A 62 -5.255 2.595 8.525 1.00 0.00 C ATOM 944 O GLY A 62 -4.891 3.731 8.827 1.00 0.00 O ATOM 0 H GLY A 62 -6.498 0.231 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.790 1.667 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.808 1.096 9.082 1.00 0.00 H new ATOM 948 N MET A 63 -6.028 2.307 7.488 1.00 0.00 N ATOM 949 CA MET A 63 -6.518 3.352 6.605 1.00 0.00 C ATOM 950 C MET A 63 -6.905 4.602 7.398 1.00 0.00 C ATOM 951 O MET A 63 -7.431 4.502 8.505 1.00 0.00 O ATOM 952 CB MET A 63 -7.735 2.840 5.833 1.00 0.00 C ATOM 953 CG MET A 63 -7.324 2.286 4.467 1.00 0.00 C ATOM 954 SD MET A 63 -8.038 3.278 3.166 1.00 0.00 S ATOM 955 CE MET A 63 -6.575 3.630 2.207 1.00 0.00 C ATOM 0 H MET A 63 -6.327 1.364 7.239 1.00 0.00 H new ATOM 0 HA MET A 63 -5.722 3.617 5.910 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.235 2.062 6.410 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.453 3.649 5.700 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.238 2.283 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.655 1.252 4.370 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.806 4.385 1.455 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.789 4.001 2.865 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.235 2.719 1.714 1.00 0.00 H new ATOM 965 N PRO A 64 -6.621 5.782 6.784 1.00 0.00 N ATOM 966 CA PRO A 64 -6.934 7.051 7.420 1.00 0.00 C ATOM 967 C PRO A 64 -8.435 7.340 7.358 1.00 0.00 C ATOM 968 O PRO A 64 -9.180 6.632 6.682 1.00 0.00 O ATOM 969 CB PRO A 64 -6.100 8.080 6.675 1.00 0.00 C ATOM 970 CG PRO A 64 -5.710 7.428 5.359 1.00 0.00 C ATOM 971 CD PRO A 64 -5.998 5.940 5.473 1.00 0.00 C ATOM 0 HA PRO A 64 -6.696 7.059 8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.669 8.994 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.217 8.357 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.275 7.864 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.654 7.597 5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.661 5.603 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.083 5.353 5.396 1.00 0.00 H new ATOM 979 N PRO A 65 -8.845 8.408 8.093 1.00 0.00 N ATOM 980 CA PRO A 65 -10.244 8.800 8.128 1.00 0.00 C ATOM 981 C PRO A 65 -10.653 9.493 6.827 1.00 0.00 C ATOM 982 O PRO A 65 -9.911 10.322 6.302 1.00 0.00 O ATOM 983 CB PRO A 65 -10.370 9.701 9.346 1.00 0.00 C ATOM 984 CG PRO A 65 -8.957 10.154 9.676 1.00 0.00 C ATOM 985 CD PRO A 65 -7.991 9.270 8.905 1.00 0.00 C ATOM 0 HA PRO A 65 -10.917 7.947 8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.015 10.554 9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.814 9.165 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.818 11.200 9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.772 10.077 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.322 9.864 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.365 8.685 9.579 1.00 0.00 H new ATOM 993 N GLY A 66 -11.831 9.127 6.343 1.00 0.00 N ATOM 994 CA GLY A 66 -12.347 9.703 5.113 1.00 0.00 C ATOM 995 C GLY A 66 -11.424 9.393 3.933 1.00 0.00 C ATOM 996 O GLY A 66 -11.214 10.239 3.065 1.00 0.00 O ATOM 0 H GLY A 66 -12.443 8.438 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.344 9.309 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.448 10.782 5.227 1.00 0.00 H new ATOM 1000 N VAL A 67 -10.898 8.177 3.939 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.003 7.744 2.879 1.00 0.00 C ATOM 1002 C VAL A 67 -10.288 6.279 2.543 1.00 0.00 C ATOM 1003 O VAL A 67 -10.214 5.413 3.414 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.550 7.991 3.288 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.582 7.361 2.284 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.273 9.487 3.452 1.00 0.00 C ATOM 0 H VAL A 67 -11.074 7.478 4.661 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.175 8.325 1.973 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.389 7.512 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.556 7.552 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.754 6.286 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.746 7.796 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.233 9.635 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.462 9.998 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.927 9.896 4.222 1.00 0.00 H new ATOM 1016 N SER A 68 -10.609 6.046 1.279 1.00 0.00 N ATOM 1017 CA SER A 68 -10.905 4.701 0.817 1.00 0.00 C ATOM 1018 C SER A 68 -9.648 4.062 0.225 1.00 0.00 C ATOM 1019 O SER A 68 -8.841 4.741 -0.409 1.00 0.00 O ATOM 1020 CB SER A 68 -12.034 4.710 -0.216 1.00 0.00 C ATOM 1021 OG SER A 68 -12.245 6.007 -0.765 1.00 0.00 O ATOM 0 H SER A 68 -10.671 6.767 0.560 1.00 0.00 H new ATOM 0 HA SER A 68 -11.236 4.111 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.797 4.011 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.955 4.360 0.250 1.00 0.00 H new ATOM 0 HG SER A 68 -12.972 5.970 -1.421 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.520 2.762 0.451 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.375 2.024 -0.052 1.00 0.00 C ATOM 1029 C PHE A 69 -8.581 1.621 -1.514 1.00 0.00 C ATOM 1030 O PHE A 69 -9.679 1.225 -1.903 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.247 0.760 0.800 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.188 -0.224 0.300 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.870 0.110 0.354 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.563 -1.432 -0.198 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.887 -0.803 -0.110 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.580 -2.345 -0.663 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.262 -2.011 -0.609 1.00 0.00 C ATOM 0 H PHE A 69 -10.191 2.202 0.976 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.480 2.644 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.007 1.047 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.212 0.255 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.572 1.070 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.609 -1.697 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.841 -0.538 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.878 -3.304 -1.059 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.514 -2.705 -0.962 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.509 1.735 -2.283 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.559 1.388 -3.693 1.00 0.00 C ATOM 1049 C LYS A 70 -6.216 1.724 -4.345 1.00 0.00 C ATOM 1050 O LYS A 70 -5.413 2.461 -3.775 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.756 2.060 -4.369 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.836 3.541 -3.995 1.00 0.00 C ATOM 1053 CD LYS A 70 -10.066 4.199 -4.622 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.979 4.793 -3.547 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.303 6.202 -3.863 1.00 0.00 N ATOM 0 H LYS A 70 -6.600 2.063 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.714 0.316 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.671 1.958 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.676 1.556 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.877 3.644 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.934 4.054 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.752 4.983 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.618 3.463 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.897 4.209 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.491 4.735 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.923 6.590 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.426 6.759 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.788 6.249 -4.782 1.00 0.00 H new ATOM 1069 N ALA A 71 -6.014 1.167 -5.530 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.783 1.399 -6.266 1.00 0.00 C ATOM 1071 C ALA A 71 -4.419 2.883 -6.188 1.00 0.00 C ATOM 1072 O ALA A 71 -5.298 3.736 -6.076 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.950 0.914 -7.707 1.00 0.00 C ATOM 0 H ALA A 71 -6.682 0.555 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.961 0.835 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.026 1.088 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.178 -0.152 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.765 1.460 -8.182 1.00 0.00 H new ATOM 1079 N PRO A 72 -3.088 3.153 -6.253 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.597 4.519 -6.191 1.00 0.00 C ATOM 1081 C PRO A 72 -2.844 5.251 -7.512 1.00 0.00 C ATOM 1082 O PRO A 72 -2.506 6.425 -7.648 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.121 4.392 -5.850 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.737 2.961 -6.190 1.00 0.00 C ATOM 1085 CD PRO A 72 -2.018 2.168 -6.386 1.00 0.00 C ATOM 0 HA PRO A 72 -3.115 5.118 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.525 5.103 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.944 4.604 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.129 2.934 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.138 2.526 -5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.041 1.688 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.112 1.378 -5.641 1.00 0.00 H new ATOM 1093 N SER A 73 -3.433 4.525 -8.452 1.00 0.00 N ATOM 1094 CA SER A 73 -3.729 5.091 -9.757 1.00 0.00 C ATOM 1095 C SER A 73 -4.942 6.018 -9.662 1.00 0.00 C ATOM 1096 O SER A 73 -4.904 7.148 -10.147 1.00 0.00 O ATOM 1097 CB SER A 73 -3.982 3.990 -10.790 1.00 0.00 C ATOM 1098 OG SER A 73 -2.894 3.073 -10.870 1.00 0.00 O ATOM 0 H SER A 73 -3.713 3.551 -8.336 1.00 0.00 H new ATOM 0 HA SER A 73 -2.864 5.667 -10.084 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.892 3.450 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.148 4.442 -11.768 1.00 0.00 H new ATOM 0 HG SER A 73 -3.095 2.385 -11.538 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.991 5.507 -9.034 1.00 0.00 N ATOM 1105 CA TYR A 74 -7.213 6.275 -8.869 1.00 0.00 C ATOM 1106 C TYR A 74 -7.053 7.331 -7.774 1.00 0.00 C ATOM 1107 O TYR A 74 -7.540 8.452 -7.912 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.287 5.273 -8.442 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.505 4.132 -9.438 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.560 4.398 -10.791 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.646 2.836 -8.983 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.765 3.324 -11.729 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.852 1.763 -9.921 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.901 2.060 -11.247 1.00 0.00 C ATOM 1115 OH TYR A 74 -9.095 1.046 -12.132 1.00 0.00 O ATOM 0 H TYR A 74 -6.020 4.570 -8.633 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.469 6.793 -9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.011 4.850 -7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.229 5.803 -8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.449 5.412 -11.147 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.602 2.627 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.810 3.518 -12.790 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.965 0.745 -9.579 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.174 0.199 -11.646 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.369 6.936 -6.711 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.139 7.834 -5.592 1.00 0.00 C ATOM 1127 C LEU A 75 -5.363 9.060 -6.079 1.00 0.00 C ATOM 1128 O LEU A 75 -4.534 8.955 -6.982 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.457 7.093 -4.440 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.188 5.857 -3.912 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.349 5.132 -2.858 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.577 6.225 -3.386 1.00 0.00 C ATOM 0 H LEU A 75 -5.966 6.005 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.087 8.193 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.462 6.790 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.322 7.791 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.331 5.164 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.892 4.257 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.404 4.817 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.153 5.805 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.075 5.329 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.479 6.946 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.167 6.662 -4.191 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.661 10.193 -5.460 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.002 11.437 -5.820 1.00 0.00 C ATOM 1146 C GLU A 76 -3.792 11.677 -4.915 1.00 0.00 C ATOM 1147 O GLU A 76 -3.535 10.901 -3.996 1.00 0.00 O ATOM 1148 CB GLU A 76 -5.978 12.613 -5.754 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.528 12.791 -4.338 1.00 0.00 C ATOM 1150 CD GLU A 76 -8.057 12.834 -4.345 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -8.608 13.278 -5.376 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -8.641 12.421 -3.320 1.00 0.00 O ATOM 0 H GLU A 76 -6.350 10.276 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.651 11.356 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.474 13.526 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.801 12.447 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.187 11.971 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.137 13.712 -3.905 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.080 12.756 -5.206 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.903 13.109 -4.430 1.00 0.00 C ATOM 1161 C ILE A 77 -2.273 13.161 -2.946 1.00 0.00 C ATOM 1162 O ILE A 77 -1.711 12.426 -2.136 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.283 14.405 -4.955 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.994 14.306 -6.455 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.035 14.780 -4.154 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.064 15.327 -6.877 1.00 0.00 C ATOM 0 H ILE A 77 -3.296 13.398 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.131 12.347 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.006 15.209 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.651 13.300 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.912 14.474 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.386 15.705 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.303 14.921 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.703 13.982 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.251 15.236 -7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.292 16.333 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.988 15.141 -6.330 1.00 0.00 H new ATOM 1178 N SER A 78 -3.217 14.038 -2.635 1.00 0.00 N ATOM 1179 CA SER A 78 -3.668 14.196 -1.263 1.00 0.00 C ATOM 1180 C SER A 78 -3.815 12.825 -0.599 1.00 0.00 C ATOM 1181 O SER A 78 -3.237 12.579 0.458 1.00 0.00 O ATOM 1182 CB SER A 78 -4.993 14.959 -1.203 1.00 0.00 C ATOM 1183 OG SER A 78 -4.898 16.131 -0.399 1.00 0.00 O ATOM 0 H SER A 78 -3.681 14.646 -3.310 1.00 0.00 H new ATOM 0 HA SER A 78 -2.920 14.776 -0.722 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.298 15.235 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.769 14.307 -0.803 1.00 0.00 H new ATOM 0 HG SER A 78 -5.763 16.591 -0.387 1.00 0.00 H new ATOM 1189 N SER A 79 -4.591 11.969 -1.248 1.00 0.00 N ATOM 1190 CA SER A 79 -4.820 10.630 -0.733 1.00 0.00 C ATOM 1191 C SER A 79 -3.486 9.964 -0.393 1.00 0.00 C ATOM 1192 O SER A 79 -3.224 9.649 0.767 1.00 0.00 O ATOM 1193 CB SER A 79 -5.596 9.778 -1.741 1.00 0.00 C ATOM 1194 OG SER A 79 -6.885 9.417 -1.253 1.00 0.00 O ATOM 0 H SER A 79 -5.069 12.177 -2.125 1.00 0.00 H new ATOM 0 HA SER A 79 -5.420 10.711 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.703 10.329 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.028 8.876 -1.967 1.00 0.00 H new ATOM 0 HG SER A 79 -7.461 9.166 -2.005 1.00 0.00 H new ATOM 1200 N MET A 80 -2.677 9.769 -1.424 1.00 0.00 N ATOM 1201 CA MET A 80 -1.376 9.147 -1.248 1.00 0.00 C ATOM 1202 C MET A 80 -0.629 9.762 -0.064 1.00 0.00 C ATOM 1203 O MET A 80 -0.142 9.045 0.808 1.00 0.00 O ATOM 1204 CB MET A 80 -0.549 9.325 -2.523 1.00 0.00 C ATOM 1205 CG MET A 80 -1.230 8.656 -3.718 1.00 0.00 C ATOM 1206 SD MET A 80 -0.122 8.628 -5.116 1.00 0.00 S ATOM 1207 CE MET A 80 -0.705 10.062 -6.003 1.00 0.00 C ATOM 0 H MET A 80 -2.898 10.031 -2.385 1.00 0.00 H new ATOM 0 HA MET A 80 -1.526 8.086 -1.046 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.412 10.387 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.443 8.897 -2.379 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.525 7.640 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.141 9.196 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.659 9.870 -7.075 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.735 10.274 -5.716 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.077 10.920 -5.761 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.563 11.086 -0.070 1.00 0.00 N ATOM 1218 CA ARG A 81 0.116 11.806 0.993 1.00 0.00 C ATOM 1219 C ARG A 81 -0.425 11.374 2.357 1.00 0.00 C ATOM 1220 O ARG A 81 0.342 11.162 3.295 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.064 13.318 0.837 1.00 0.00 C ATOM 1222 CG ARG A 81 1.043 13.914 -0.036 1.00 0.00 C ATOM 1223 CD ARG A 81 2.426 13.526 0.491 1.00 0.00 C ATOM 1224 NE ARG A 81 3.427 14.533 0.073 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.707 14.528 0.468 1.00 0.00 C ATOM 1226 NH1 ARG A 81 5.150 13.570 1.294 1.00 0.00 N ATOM 1227 NH2 ARG A 81 5.545 15.481 0.038 1.00 0.00 N ATOM 0 H ARG A 81 -0.969 11.678 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 81 1.178 11.569 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.036 13.528 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.054 13.792 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.930 13.564 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.949 15.000 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.403 13.454 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.706 12.543 0.112 1.00 0.00 H new ATOM 0 HE ARG A 81 3.123 15.277 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.512 12.844 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.125 13.566 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.208 16.211 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.520 15.477 0.339 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.743 11.256 2.425 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.396 10.853 3.659 1.00 0.00 C ATOM 1243 C ARG A 82 -1.985 9.428 4.036 1.00 0.00 C ATOM 1244 O ARG A 82 -1.309 9.219 5.042 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.919 10.918 3.523 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.387 12.354 3.282 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.777 12.378 2.644 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.532 13.559 3.120 1.00 0.00 N ATOM 1249 CZ ARG A 82 -7.864 13.682 3.036 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.595 12.699 2.494 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.464 14.789 3.494 1.00 0.00 N ATOM 0 H ARG A 82 -2.376 11.432 1.645 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.083 11.544 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.241 10.283 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.385 10.527 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.407 12.897 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.677 12.868 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.687 12.407 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.317 11.465 2.895 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.006 14.327 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.138 11.857 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.609 12.793 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.907 15.538 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.478 14.883 3.430 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.410 8.485 3.208 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.095 7.086 3.442 1.00 0.00 C ATOM 1267 C ILE A 83 -0.650 6.968 3.930 1.00 0.00 C ATOM 1268 O ILE A 83 -0.389 6.363 4.969 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.392 6.254 2.193 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.885 6.277 1.860 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.861 4.827 2.345 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.110 6.480 0.360 1.00 0.00 C ATOM 0 H ILE A 83 -2.970 8.662 2.374 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.731 6.678 4.227 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.867 6.705 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.346 5.342 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.373 7.078 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.085 4.257 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.782 4.855 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.337 4.351 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.180 6.492 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.669 7.428 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.642 5.665 -0.192 1.00 0.00 H new ATOM 1284 N LEU A 84 0.252 7.556 3.158 1.00 0.00 N ATOM 1285 CA LEU A 84 1.664 7.525 3.498 1.00 0.00 C ATOM 1286 C LEU A 84 1.841 7.943 4.960 1.00 0.00 C ATOM 1287 O LEU A 84 2.479 7.236 5.738 1.00 0.00 O ATOM 1288 CB LEU A 84 2.472 8.373 2.514 1.00 0.00 C ATOM 1289 CG LEU A 84 2.698 7.761 1.130 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.252 8.802 0.155 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.592 6.523 1.217 1.00 0.00 C ATOM 0 H LEU A 84 0.032 8.057 2.297 1.00 0.00 H new ATOM 0 HA LEU A 84 2.056 6.512 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.965 9.330 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.444 8.584 2.960 1.00 0.00 H new ATOM 0 HG LEU A 84 1.734 7.434 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.404 8.342 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.544 9.626 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.203 9.181 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.736 6.108 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.558 6.801 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.119 5.777 1.856 1.00 0.00 H new ATOM 1303 N ASP A 85 1.265 9.090 5.288 1.00 0.00 N ATOM 1304 CA ASP A 85 1.351 9.610 6.642 1.00 0.00 C ATOM 1305 C ASP A 85 0.940 8.517 7.630 1.00 0.00 C ATOM 1306 O ASP A 85 1.310 8.565 8.803 1.00 0.00 O ATOM 1307 CB ASP A 85 0.409 10.801 6.835 1.00 0.00 C ATOM 1308 CG ASP A 85 1.101 12.124 7.167 1.00 0.00 C ATOM 1309 OD1 ASP A 85 2.265 12.279 6.740 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.449 12.951 7.842 1.00 0.00 O ATOM 0 H ASP A 85 0.737 9.674 4.639 1.00 0.00 H new ATOM 0 HA ASP A 85 2.378 9.931 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.177 10.933 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.293 10.564 7.635 1.00 0.00 H new ATOM 1315 N SER A 86 0.181 7.558 7.121 1.00 0.00 N ATOM 1316 CA SER A 86 -0.284 6.455 7.945 1.00 0.00 C ATOM 1317 C SER A 86 0.286 5.135 7.423 1.00 0.00 C ATOM 1318 O SER A 86 -0.328 4.082 7.585 1.00 0.00 O ATOM 1319 CB SER A 86 -1.813 6.397 7.977 1.00 0.00 C ATOM 1320 OG SER A 86 -2.362 7.317 8.916 1.00 0.00 O ATOM 0 H SER A 86 -0.124 7.522 6.148 1.00 0.00 H new ATOM 0 HA SER A 86 0.068 6.618 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.205 6.615 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.132 5.386 8.231 1.00 0.00 H new ATOM 0 HG SER A 86 -2.159 7.016 9.826 1.00 0.00 H new ATOM 1326 N ALA A 87 1.455 5.235 6.807 1.00 0.00 N ATOM 1327 CA ALA A 87 2.115 4.062 6.260 1.00 0.00 C ATOM 1328 C ALA A 87 2.149 2.959 7.320 1.00 0.00 C ATOM 1329 O ALA A 87 1.471 1.941 7.185 1.00 0.00 O ATOM 1330 CB ALA A 87 3.514 4.444 5.771 1.00 0.00 C ATOM 0 H ALA A 87 1.962 6.110 6.675 1.00 0.00 H new ATOM 0 HA ALA A 87 1.563 3.677 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.009 3.564 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.433 5.208 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.098 4.832 6.606 1.00 0.00 H new ATOM 1336 N GLU A 88 2.944 3.200 8.352 1.00 0.00 N ATOM 1337 CA GLU A 88 3.074 2.240 9.436 1.00 0.00 C ATOM 1338 C GLU A 88 1.693 1.800 9.925 1.00 0.00 C ATOM 1339 O GLU A 88 1.476 0.622 10.204 1.00 0.00 O ATOM 1340 CB GLU A 88 3.904 2.819 10.584 1.00 0.00 C ATOM 1341 CG GLU A 88 3.244 4.074 11.158 1.00 0.00 C ATOM 1342 CD GLU A 88 4.183 4.790 12.132 1.00 0.00 C ATOM 1343 OE1 GLU A 88 5.367 4.950 11.765 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.694 5.161 13.221 1.00 0.00 O ATOM 0 H GLU A 88 3.504 4.045 8.461 1.00 0.00 H new ATOM 0 HA GLU A 88 3.599 1.363 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.017 2.071 11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.905 3.061 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.971 4.749 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.321 3.802 11.670 1.00 0.00 H new ATOM 1351 N PHE A 89 0.795 2.770 10.013 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.559 2.498 10.463 1.00 0.00 C ATOM 1353 C PHE A 89 -1.224 1.432 9.590 1.00 0.00 C ATOM 1354 O PHE A 89 -1.933 0.564 10.095 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.344 3.805 10.337 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.579 4.521 11.669 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.121 3.846 12.718 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.245 5.833 11.804 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.339 4.510 13.954 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.463 6.497 13.040 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.005 5.821 14.089 1.00 0.00 C ATOM 0 H PHE A 89 0.979 3.746 9.780 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.542 2.130 11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.808 4.476 9.665 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.308 3.595 9.874 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.386 2.804 12.611 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.814 6.369 10.971 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.770 3.974 14.787 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.199 7.539 13.147 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.170 6.326 15.029 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.970 1.533 8.293 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.535 0.588 7.345 1.00 0.00 C ATOM 1373 C ILE A 90 -1.417 -0.829 7.910 1.00 0.00 C ATOM 1374 O ILE A 90 -0.569 -1.092 8.762 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.885 0.757 5.969 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -1.001 2.203 5.482 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.469 -0.236 4.962 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.314 2.835 5.950 1.00 0.00 C ATOM 0 H ILE A 90 -0.381 2.254 7.877 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.597 0.785 7.198 1.00 0.00 H new ATOM 0 HB ILE A 90 0.178 0.533 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.159 2.785 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.948 2.229 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.991 -0.095 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.292 -1.254 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.542 -0.068 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.372 3.862 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.154 2.264 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.353 2.829 7.039 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.279 -1.703 7.414 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.282 -3.086 7.860 1.00 0.00 C ATOM 1392 C LYS A 91 -3.059 -3.940 6.855 1.00 0.00 C ATOM 1393 O LYS A 91 -4.080 -3.505 6.324 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.813 -3.187 9.291 1.00 0.00 C ATOM 1395 CG LYS A 91 -2.876 -4.645 9.751 1.00 0.00 C ATOM 1396 CD LYS A 91 -4.216 -4.949 10.425 1.00 0.00 C ATOM 1397 CE LYS A 91 -4.089 -6.129 11.390 1.00 0.00 C ATOM 1398 NZ LYS A 91 -5.367 -6.357 12.102 1.00 0.00 N ATOM 0 H LYS A 91 -2.980 -1.481 6.708 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.265 -3.477 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.170 -2.618 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.806 -2.741 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.736 -5.306 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.061 -4.846 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.563 -4.068 10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.966 -5.174 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.807 -7.027 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.295 -5.933 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.263 -7.161 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.620 -5.505 12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.117 -6.565 11.412 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.546 -5.139 6.624 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.178 -6.057 5.692 1.00 0.00 C ATOM 1414 C PHE A 92 -3.332 -7.448 6.312 1.00 0.00 C ATOM 1415 O PHE A 92 -2.344 -8.076 6.688 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.264 -6.155 4.470 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.458 -5.026 3.455 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -2.076 -3.759 3.766 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -3.014 -5.290 2.243 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.256 -2.711 2.825 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.195 -4.243 1.301 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.812 -2.975 1.612 1.00 0.00 C ATOM 0 H PHE A 92 -1.699 -5.496 7.066 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.171 -5.694 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.227 -6.155 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.439 -7.110 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.635 -3.549 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.318 -6.297 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.952 -1.705 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.637 -4.453 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.949 -2.178 0.896 1.00 0.00 H new ATOM 1432 N THR A 93 -4.579 -7.887 6.399 1.00 0.00 N ATOM 1433 CA THR A 93 -4.874 -9.192 6.966 1.00 0.00 C ATOM 1434 C THR A 93 -5.284 -10.172 5.865 1.00 0.00 C ATOM 1435 O THR A 93 -6.190 -9.889 5.083 1.00 0.00 O ATOM 1436 CB THR A 93 -5.945 -9.007 8.044 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.451 -7.936 8.844 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.014 -10.192 9.010 1.00 0.00 C ATOM 0 H THR A 93 -5.396 -7.363 6.087 1.00 0.00 H new ATOM 0 HA THR A 93 -3.992 -9.629 7.434 1.00 0.00 H new ATOM 0 HB THR A 93 -6.917 -8.868 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.085 -7.748 9.567 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.789 -10.010 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.250 -11.100 8.455 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.052 -10.311 9.509 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.596 -11.304 5.839 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.876 -12.328 4.847 1.00 0.00 C ATOM 1448 C VAL A 94 -5.765 -13.406 5.470 1.00 0.00 C ATOM 1449 O VAL A 94 -5.267 -14.414 5.968 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.567 -12.884 4.285 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.825 -14.107 3.402 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.798 -11.807 3.517 1.00 0.00 C ATOM 0 H VAL A 94 -3.845 -11.535 6.489 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.422 -11.904 4.004 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.950 -13.201 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.878 -14.483 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.311 -14.885 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.471 -13.825 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.871 -12.229 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.408 -11.445 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.566 -10.978 4.186 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.066 -13.156 5.422 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.029 -14.093 5.975 1.00 0.00 C ATOM 1464 C ILE A 95 -8.086 -15.341 5.091 1.00 0.00 C ATOM 1465 O ILE A 95 -7.914 -16.458 5.576 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.386 -13.414 6.170 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.308 -12.331 7.247 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.476 -14.444 6.471 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.549 -11.104 6.737 1.00 0.00 C ATOM 0 H ILE A 95 -7.475 -12.318 5.009 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.717 -14.419 6.967 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.658 -12.921 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.314 -12.041 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.811 -12.728 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.430 -13.935 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.553 -15.146 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.223 -14.986 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.508 -10.349 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.536 -11.393 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.062 -10.695 5.867 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.328 -15.108 3.810 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.410 -16.199 2.854 1.00 0.00 C ATOM 1483 C ARG A 96 -7.613 -15.861 1.592 1.00 0.00 C ATOM 1484 O ARG A 96 -7.744 -14.766 1.046 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.863 -16.486 2.469 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.690 -16.870 3.698 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.157 -18.324 3.613 1.00 0.00 C ATOM 1488 NE ARG A 96 -10.972 -18.992 4.920 1.00 0.00 N ATOM 1489 CZ ARG A 96 -11.329 -20.259 5.174 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -11.892 -21.002 4.211 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -11.124 -20.782 6.390 1.00 0.00 N ATOM 0 H ARG A 96 -8.470 -14.180 3.411 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.989 -17.086 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.298 -15.606 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.896 -17.293 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.095 -16.728 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.554 -16.211 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.207 -18.361 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.594 -18.851 2.843 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.546 -18.455 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.049 -20.603 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.164 -21.966 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.696 -20.216 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.396 -21.746 6.583 1.00 0.00 H new