USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 85 TYR OH : rot 30:sc= 0.316 USER MOD Set 1.2: A 97 THR OG1 : rot 78:sc= 1.59 USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 17 GLN : amide:sc= -0.505 K(o=-0.51,f=-1.3) USER MOD Single : A 18 MET CE :methyl -126:sc= -0.151 (180deg=-0.825) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0.16 (180deg=-0.17) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.239 USER MOD Single : A 29 TYR OH : rot 20:sc= 0.0541 USER MOD Single : A 33 SER OG : rot 180:sc= 0.161 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00308 USER MOD Single : A 46 HIS : no HD1:sc= 0.0117 X(o=0.012,f=-0.16) USER MOD Single : A 47 HIS : no HE2:sc= 0.144 K(o=0.14,f=-0.78) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.02 F(o=-0.64,f=-0.02) USER MOD Single : A 56 CYS SG : rot -24:sc= -3.98! USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.662) USER MOD Single : A 60 SER OG : rot -113:sc= 0.278 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 79:sc= -0.605 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0103 F(o=-0.81,f=-0.01) USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= 0.466 (180deg=0.0641) USER MOD Single : A 82 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.15) USER MOD Single : A 88 SER OG : rot 114:sc= 0.171 USER MOD Single : A 90 SER OG : rot 119:sc= 0.854 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -2.876 17.307 4.398 1.00 74.42 N ATOM 218 CA ALA A 14 -2.912 15.888 4.074 1.00 3.24 C ATOM 219 C ALA A 14 -1.473 15.368 3.998 1.00 22.21 C ATOM 220 O ALA A 14 -1.072 14.536 4.807 1.00 64.04 O ATOM 221 CB ALA A 14 -3.663 15.668 2.735 1.00 65.01 C ATOM 0 HA ALA A 14 -3.448 15.336 4.846 1.00 3.24 H new ATOM 0 HB1 ALA A 14 -3.685 14.604 2.501 1.00 65.01 H new ATOM 0 HB2 ALA A 14 -4.683 16.041 2.825 1.00 65.01 H new ATOM 0 HB3 ALA A 14 -3.149 16.205 1.937 1.00 65.01 H new ATOM 227 N THR A 15 -0.690 15.986 3.092 1.00 44.14 N ATOM 228 CA THR A 15 0.660 15.534 2.687 1.00 21.14 C ATOM 229 C THR A 15 1.591 15.224 3.883 1.00 51.55 C ATOM 230 O THR A 15 2.235 14.180 3.895 1.00 0.50 O ATOM 231 CB THR A 15 1.340 16.607 1.773 1.00 73.21 C ATOM 232 OG1 THR A 15 0.441 17.006 0.727 1.00 53.21 O ATOM 233 CG2 THR A 15 2.657 16.106 1.138 1.00 61.30 C ATOM 0 H THR A 15 -0.984 16.835 2.608 1.00 44.14 H new ATOM 0 HA THR A 15 0.514 14.602 2.141 1.00 21.14 H new ATOM 0 HB THR A 15 1.581 17.454 2.416 1.00 73.21 H new ATOM 0 HG1 THR A 15 0.875 17.679 0.162 1.00 53.21 H new ATOM 0 HG21 THR A 15 3.083 16.893 0.515 1.00 61.30 H new ATOM 0 HG22 THR A 15 3.364 15.844 1.925 1.00 61.30 H new ATOM 0 HG23 THR A 15 2.454 15.228 0.525 1.00 61.30 H new ATOM 241 N ALA A 16 1.627 16.126 4.886 1.00 15.01 N ATOM 242 CA ALA A 16 2.521 15.993 6.063 1.00 50.44 C ATOM 243 C ALA A 16 2.290 14.667 6.833 1.00 20.31 C ATOM 244 O ALA A 16 3.169 13.785 6.856 1.00 1.22 O ATOM 245 CB ALA A 16 2.341 17.200 6.998 1.00 65.51 C ATOM 0 H ALA A 16 1.043 16.962 4.907 1.00 15.01 H new ATOM 0 HA ALA A 16 3.547 15.970 5.695 1.00 50.44 H new ATOM 0 HB1 ALA A 16 3.001 17.095 7.859 1.00 65.51 H new ATOM 0 HB2 ALA A 16 2.588 18.116 6.461 1.00 65.51 H new ATOM 0 HB3 ALA A 16 1.306 17.246 7.337 1.00 65.51 H new ATOM 251 N GLN A 17 1.071 14.504 7.387 1.00 44.12 N ATOM 252 CA GLN A 17 0.743 13.359 8.265 1.00 1.13 C ATOM 253 C GLN A 17 0.413 12.092 7.435 1.00 2.54 C ATOM 254 O GLN A 17 0.460 10.983 7.959 1.00 15.30 O ATOM 255 CB GLN A 17 -0.415 13.738 9.238 1.00 60.22 C ATOM 256 CG GLN A 17 -0.618 12.776 10.434 1.00 1.22 C ATOM 257 CD GLN A 17 0.635 12.613 11.317 1.00 74.42 C ATOM 258 OE1 GLN A 17 1.443 11.703 11.118 1.00 4.20 O ATOM 259 NE2 GLN A 17 0.816 13.512 12.281 1.00 61.11 N ATOM 0 H GLN A 17 0.296 15.151 7.242 1.00 44.12 H new ATOM 0 HA GLN A 17 1.619 13.121 8.868 1.00 1.13 H new ATOM 0 HB2 GLN A 17 -0.228 14.739 9.626 1.00 60.22 H new ATOM 0 HB3 GLN A 17 -1.344 13.785 8.670 1.00 60.22 H new ATOM 0 HG2 GLN A 17 -1.440 13.143 11.049 1.00 1.22 H new ATOM 0 HG3 GLN A 17 -0.915 11.798 10.056 1.00 1.22 H new ATOM 0 HE21 GLN A 17 0.130 14.254 12.422 1.00 61.11 H new ATOM 0 HE22 GLN A 17 1.641 13.459 12.879 1.00 61.11 H new ATOM 268 N MET A 18 0.096 12.291 6.135 1.00 2.12 N ATOM 269 CA MET A 18 -0.065 11.181 5.156 1.00 55.11 C ATOM 270 C MET A 18 1.288 10.486 4.986 1.00 2.13 C ATOM 271 O MET A 18 1.413 9.298 5.232 1.00 41.41 O ATOM 272 CB MET A 18 -0.536 11.715 3.768 1.00 11.41 C ATOM 273 CG MET A 18 -0.665 10.655 2.650 1.00 22.31 C ATOM 274 SD MET A 18 -0.686 11.381 0.994 1.00 0.44 S ATOM 275 CE MET A 18 1.014 11.946 0.842 1.00 70.05 C ATOM 0 H MET A 18 -0.055 13.216 5.733 1.00 2.12 H new ATOM 0 HA MET A 18 -0.819 10.489 5.531 1.00 55.11 H new ATOM 0 HB2 MET A 18 -1.503 12.201 3.896 1.00 11.41 H new ATOM 0 HB3 MET A 18 0.165 12.481 3.437 1.00 11.41 H new ATOM 0 HG2 MET A 18 0.166 9.953 2.723 1.00 22.31 H new ATOM 0 HG3 MET A 18 -1.580 10.083 2.802 1.00 22.31 H new ATOM 0 HE1 MET A 18 1.024 13.005 0.582 1.00 70.05 H new ATOM 0 HE2 MET A 18 1.532 11.800 1.790 1.00 70.05 H new ATOM 0 HE3 MET A 18 1.518 11.376 0.061 1.00 70.05 H new ATOM 285 N GLU A 19 2.284 11.296 4.587 1.00 23.51 N ATOM 286 CA GLU A 19 3.680 10.884 4.340 1.00 32.12 C ATOM 287 C GLU A 19 4.337 10.360 5.628 1.00 1.44 C ATOM 288 O GLU A 19 5.172 9.448 5.582 1.00 73.20 O ATOM 289 CB GLU A 19 4.450 12.114 3.796 1.00 4.31 C ATOM 290 CG GLU A 19 5.903 11.878 3.377 1.00 2.13 C ATOM 291 CD GLU A 19 6.657 13.191 3.102 1.00 24.42 C ATOM 292 OE1 GLU A 19 6.416 13.819 2.050 1.00 20.20 O ATOM 293 OE2 GLU A 19 7.478 13.609 3.943 1.00 62.51 O ATOM 0 H GLU A 19 2.135 12.291 4.421 1.00 23.51 H new ATOM 0 HA GLU A 19 3.704 10.071 3.614 1.00 32.12 H new ATOM 0 HB2 GLU A 19 3.906 12.504 2.936 1.00 4.31 H new ATOM 0 HB3 GLU A 19 4.437 12.891 4.561 1.00 4.31 H new ATOM 0 HG2 GLU A 19 6.419 11.324 4.161 1.00 2.13 H new ATOM 0 HG3 GLU A 19 5.923 11.257 2.482 1.00 2.13 H new ATOM 300 N GLU A 20 3.946 10.940 6.779 1.00 74.14 N ATOM 301 CA GLU A 20 4.472 10.542 8.098 1.00 33.22 C ATOM 302 C GLU A 20 3.883 9.180 8.537 1.00 63.12 C ATOM 303 O GLU A 20 4.589 8.339 9.112 1.00 1.22 O ATOM 304 CB GLU A 20 4.169 11.645 9.148 1.00 73.44 C ATOM 305 CG GLU A 20 5.084 11.622 10.388 1.00 23.33 C ATOM 306 CD GLU A 20 4.823 12.798 11.347 1.00 4.20 C ATOM 307 OE1 GLU A 20 5.122 13.956 10.969 1.00 31.24 O ATOM 308 OE2 GLU A 20 4.336 12.579 12.480 1.00 20.44 O ATOM 0 H GLU A 20 3.260 11.694 6.820 1.00 74.14 H new ATOM 0 HA GLU A 20 5.553 10.426 8.022 1.00 33.22 H new ATOM 0 HB2 GLU A 20 4.256 12.619 8.667 1.00 73.44 H new ATOM 0 HB3 GLU A 20 3.134 11.542 9.475 1.00 73.44 H new ATOM 0 HG2 GLU A 20 4.938 10.684 10.923 1.00 23.33 H new ATOM 0 HG3 GLU A 20 6.125 11.647 10.066 1.00 23.33 H new ATOM 315 N LYS A 21 2.581 8.978 8.262 1.00 4.11 N ATOM 316 CA LYS A 21 1.884 7.689 8.512 1.00 4.24 C ATOM 317 C LYS A 21 2.256 6.644 7.428 1.00 64.21 C ATOM 318 O LYS A 21 2.147 5.433 7.645 1.00 62.14 O ATOM 319 CB LYS A 21 0.346 7.932 8.588 1.00 50.42 C ATOM 320 CG LYS A 21 -0.542 6.695 8.875 1.00 34.31 C ATOM 321 CD LYS A 21 -0.166 5.916 10.160 1.00 25.14 C ATOM 322 CE LYS A 21 -0.132 6.784 11.429 1.00 50.52 C ATOM 323 NZ LYS A 21 0.081 5.962 12.647 1.00 52.23 N ATOM 0 H LYS A 21 1.979 9.697 7.861 1.00 4.11 H new ATOM 0 HA LYS A 21 2.209 7.281 9.469 1.00 4.24 H new ATOM 0 HB2 LYS A 21 0.157 8.674 9.364 1.00 50.42 H new ATOM 0 HB3 LYS A 21 0.024 8.370 7.643 1.00 50.42 H new ATOM 0 HG2 LYS A 21 -1.580 7.019 8.953 1.00 34.31 H new ATOM 0 HG3 LYS A 21 -0.483 6.016 8.024 1.00 34.31 H new ATOM 0 HD2 LYS A 21 -0.882 5.107 10.305 1.00 25.14 H new ATOM 0 HD3 LYS A 21 0.812 5.456 10.021 1.00 25.14 H new ATOM 0 HE2 LYS A 21 0.665 7.523 11.344 1.00 50.52 H new ATOM 0 HE3 LYS A 21 -1.069 7.334 11.520 1.00 50.52 H new ATOM 0 HZ1 LYS A 21 0.542 6.539 13.379 1.00 52.23 H new ATOM 0 HZ2 LYS A 21 -0.836 5.622 13.001 1.00 52.23 H new ATOM 0 HZ3 LYS A 21 0.686 5.148 12.415 1.00 52.23 H new ATOM 337 N LEU A 22 2.723 7.146 6.277 1.00 32.44 N ATOM 338 CA LEU A 22 3.260 6.330 5.171 1.00 72.33 C ATOM 339 C LEU A 22 4.637 5.794 5.598 1.00 10.42 C ATOM 340 O LEU A 22 4.985 4.651 5.314 1.00 50.24 O ATOM 341 CB LEU A 22 3.368 7.216 3.888 1.00 61.44 C ATOM 342 CG LEU A 22 3.216 6.536 2.491 1.00 61.21 C ATOM 343 CD1 LEU A 22 3.298 7.609 1.384 1.00 35.22 C ATOM 344 CD2 LEU A 22 4.242 5.400 2.253 1.00 61.23 C ATOM 0 H LEU A 22 2.740 8.147 6.081 1.00 32.44 H new ATOM 0 HA LEU A 22 2.605 5.488 4.946 1.00 72.33 H new ATOM 0 HB2 LEU A 22 2.610 7.996 3.960 1.00 61.44 H new ATOM 0 HB3 LEU A 22 4.338 7.712 3.910 1.00 61.44 H new ATOM 0 HG LEU A 22 2.237 6.058 2.462 1.00 61.21 H new ATOM 0 HD11 LEU A 22 3.192 7.134 0.409 1.00 35.22 H new ATOM 0 HD12 LEU A 22 2.498 8.336 1.522 1.00 35.22 H new ATOM 0 HD13 LEU A 22 4.262 8.115 1.438 1.00 35.22 H new ATOM 0 HD21 LEU A 22 4.084 4.968 1.265 1.00 61.23 H new ATOM 0 HD22 LEU A 22 5.253 5.804 2.315 1.00 61.23 H new ATOM 0 HD23 LEU A 22 4.112 4.628 3.011 1.00 61.23 H new ATOM 356 N ARG A 23 5.410 6.661 6.281 1.00 61.03 N ATOM 357 CA ARG A 23 6.678 6.279 6.917 1.00 40.21 C ATOM 358 C ARG A 23 6.418 5.255 8.027 1.00 74.34 C ATOM 359 O ARG A 23 7.114 4.255 8.108 1.00 51.11 O ATOM 360 CB ARG A 23 7.426 7.535 7.458 1.00 75.44 C ATOM 361 CG ARG A 23 8.148 8.336 6.355 1.00 44.53 C ATOM 362 CD ARG A 23 8.844 9.625 6.833 1.00 52.15 C ATOM 363 NE ARG A 23 9.721 10.169 5.765 1.00 72.13 N ATOM 364 CZ ARG A 23 9.834 11.460 5.404 1.00 33.12 C ATOM 365 NH1 ARG A 23 9.134 12.406 6.012 1.00 51.01 N ATOM 366 NH2 ARG A 23 10.676 11.792 4.433 1.00 23.22 N ATOM 0 H ARG A 23 5.170 7.644 6.405 1.00 61.03 H new ATOM 0 HA ARG A 23 7.324 5.815 6.171 1.00 40.21 H new ATOM 0 HB2 ARG A 23 6.712 8.186 7.962 1.00 75.44 H new ATOM 0 HB3 ARG A 23 8.154 7.222 8.206 1.00 75.44 H new ATOM 0 HG2 ARG A 23 8.892 7.691 5.888 1.00 44.53 H new ATOM 0 HG3 ARG A 23 7.423 8.597 5.584 1.00 44.53 H new ATOM 0 HD2 ARG A 23 8.096 10.368 7.111 1.00 52.15 H new ATOM 0 HD3 ARG A 23 9.434 9.417 7.726 1.00 52.15 H new ATOM 0 HE ARG A 23 10.294 9.497 5.255 1.00 72.13 H new ATOM 0 HH11 ARG A 23 8.495 12.161 6.769 1.00 51.01 H new ATOM 0 HH12 ARG A 23 9.234 13.379 5.724 1.00 51.01 H new ATOM 0 HH21 ARG A 23 11.229 11.071 3.969 1.00 23.22 H new ATOM 0 HH22 ARG A 23 10.770 12.768 4.151 1.00 23.22 H new ATOM 380 N ASP A 24 5.377 5.505 8.844 1.00 64.01 N ATOM 381 CA ASP A 24 4.931 4.577 9.918 1.00 11.21 C ATOM 382 C ASP A 24 4.569 3.185 9.332 1.00 13.31 C ATOM 383 O ASP A 24 4.899 2.144 9.916 1.00 53.31 O ATOM 384 CB ASP A 24 3.724 5.209 10.667 1.00 12.12 C ATOM 385 CG ASP A 24 3.152 4.341 11.807 1.00 51.25 C ATOM 386 OD1 ASP A 24 3.740 4.319 12.908 1.00 5.44 O ATOM 387 OD2 ASP A 24 2.095 3.696 11.617 1.00 31.40 O ATOM 0 H ASP A 24 4.817 6.355 8.783 1.00 64.01 H new ATOM 0 HA ASP A 24 5.745 4.423 10.626 1.00 11.21 H new ATOM 0 HB2 ASP A 24 4.031 6.170 11.079 1.00 12.12 H new ATOM 0 HB3 ASP A 24 2.931 5.409 9.947 1.00 12.12 H new ATOM 392 N PHE A 25 3.912 3.208 8.161 1.00 52.25 N ATOM 393 CA PHE A 25 3.518 2.007 7.391 1.00 43.12 C ATOM 394 C PHE A 25 4.761 1.226 6.912 1.00 65.15 C ATOM 395 O PHE A 25 4.983 0.076 7.311 1.00 20.32 O ATOM 396 CB PHE A 25 2.643 2.471 6.187 1.00 45.41 C ATOM 397 CG PHE A 25 2.179 1.386 5.203 1.00 10.23 C ATOM 398 CD1 PHE A 25 1.052 0.611 5.472 1.00 41.01 C ATOM 399 CD2 PHE A 25 2.852 1.163 3.993 1.00 53.00 C ATOM 400 CE1 PHE A 25 0.615 -0.347 4.576 1.00 41.33 C ATOM 401 CE2 PHE A 25 2.414 0.199 3.101 1.00 42.32 C ATOM 402 CZ PHE A 25 1.297 -0.552 3.391 1.00 24.31 C ATOM 0 H PHE A 25 3.632 4.079 7.710 1.00 52.25 H new ATOM 0 HA PHE A 25 2.945 1.329 8.023 1.00 43.12 H new ATOM 0 HB2 PHE A 25 1.758 2.970 6.583 1.00 45.41 H new ATOM 0 HB3 PHE A 25 3.206 3.218 5.627 1.00 45.41 H new ATOM 0 HD1 PHE A 25 0.512 0.761 6.395 1.00 41.01 H new ATOM 0 HD2 PHE A 25 3.725 1.752 3.753 1.00 53.00 H new ATOM 0 HE1 PHE A 25 -0.261 -0.937 4.802 1.00 41.33 H new ATOM 0 HE2 PHE A 25 2.949 0.036 2.177 1.00 42.32 H new ATOM 0 HZ PHE A 25 0.954 -1.301 2.693 1.00 24.31 H new ATOM 412 N THR A 26 5.587 1.909 6.108 1.00 52.52 N ATOM 413 CA THR A 26 6.714 1.309 5.376 1.00 0.54 C ATOM 414 C THR A 26 7.870 0.910 6.325 1.00 31.24 C ATOM 415 O THR A 26 8.580 -0.042 6.050 1.00 31.13 O ATOM 416 CB THR A 26 7.234 2.296 4.266 1.00 1.34 C ATOM 417 OG1 THR A 26 6.148 2.677 3.402 1.00 12.52 O ATOM 418 CG2 THR A 26 8.363 1.692 3.400 1.00 73.30 C ATOM 0 H THR A 26 5.490 2.911 5.944 1.00 52.52 H new ATOM 0 HA THR A 26 6.349 0.398 4.901 1.00 0.54 H new ATOM 0 HB THR A 26 7.641 3.161 4.789 1.00 1.34 H new ATOM 0 HG1 THR A 26 5.571 3.319 3.866 1.00 12.52 H new ATOM 0 HG21 THR A 26 8.678 2.421 2.653 1.00 73.30 H new ATOM 0 HG22 THR A 26 9.210 1.433 4.035 1.00 73.30 H new ATOM 0 HG23 THR A 26 7.998 0.795 2.900 1.00 73.30 H new ATOM 426 N ARG A 27 8.017 1.620 7.463 1.00 15.40 N ATOM 427 CA ARG A 27 9.178 1.445 8.384 1.00 64.15 C ATOM 428 C ARG A 27 9.207 0.042 9.035 1.00 40.40 C ATOM 429 O ARG A 27 10.284 -0.509 9.304 1.00 1.44 O ATOM 430 CB ARG A 27 9.173 2.532 9.497 1.00 1.33 C ATOM 431 CG ARG A 27 10.456 2.576 10.357 1.00 73.22 C ATOM 432 CD ARG A 27 11.703 2.948 9.537 1.00 72.24 C ATOM 433 NE ARG A 27 12.945 2.682 10.274 1.00 12.22 N ATOM 434 CZ ARG A 27 14.114 2.314 9.719 1.00 24.41 C ATOM 435 NH1 ARG A 27 14.221 2.162 8.403 1.00 65.23 N ATOM 436 NH2 ARG A 27 15.146 2.075 10.490 1.00 12.12 N ATOM 0 H ARG A 27 7.348 2.324 7.774 1.00 15.40 H new ATOM 0 HA ARG A 27 10.075 1.552 7.774 1.00 64.15 H new ATOM 0 HB2 ARG A 27 9.028 3.508 9.033 1.00 1.33 H new ATOM 0 HB3 ARG A 27 8.318 2.360 10.151 1.00 1.33 H new ATOM 0 HG2 ARG A 27 10.325 3.299 11.162 1.00 73.22 H new ATOM 0 HG3 ARG A 27 10.610 1.603 10.825 1.00 73.22 H new ATOM 0 HD2 ARG A 27 11.706 2.383 8.605 1.00 72.24 H new ATOM 0 HD3 ARG A 27 11.659 4.004 9.269 1.00 72.24 H new ATOM 0 HE ARG A 27 12.919 2.785 11.289 1.00 12.22 H new ATOM 0 HH11 ARG A 27 13.412 2.325 7.803 1.00 65.23 H new ATOM 0 HH12 ARG A 27 15.112 1.883 7.993 1.00 65.23 H new ATOM 0 HH21 ARG A 27 15.059 2.168 11.502 1.00 12.12 H new ATOM 0 HH22 ARG A 27 16.036 1.795 10.078 1.00 12.12 H new ATOM 450 N ALA A 28 8.006 -0.512 9.268 1.00 63.31 N ATOM 451 CA ALA A 28 7.814 -1.790 9.979 1.00 41.43 C ATOM 452 C ALA A 28 8.449 -2.982 9.227 1.00 72.53 C ATOM 453 O ALA A 28 8.885 -3.957 9.853 1.00 11.12 O ATOM 454 CB ALA A 28 6.312 -2.031 10.210 1.00 54.02 C ATOM 0 H ALA A 28 7.132 -0.082 8.966 1.00 63.31 H new ATOM 0 HA ALA A 28 8.325 -1.718 10.939 1.00 41.43 H new ATOM 0 HB1 ALA A 28 6.172 -2.976 10.735 1.00 54.02 H new ATOM 0 HB2 ALA A 28 5.901 -1.218 10.809 1.00 54.02 H new ATOM 0 HB3 ALA A 28 5.798 -2.070 9.250 1.00 54.02 H new ATOM 460 N TYR A 29 8.502 -2.888 7.884 1.00 22.33 N ATOM 461 CA TYR A 29 8.995 -3.974 7.008 1.00 61.44 C ATOM 462 C TYR A 29 9.768 -3.418 5.795 1.00 12.41 C ATOM 463 O TYR A 29 9.843 -2.222 5.566 1.00 2.11 O ATOM 464 CB TYR A 29 7.805 -4.897 6.557 1.00 73.30 C ATOM 465 CG TYR A 29 6.439 -4.185 6.455 1.00 30.32 C ATOM 466 CD1 TYR A 29 6.191 -3.226 5.474 1.00 15.44 C ATOM 467 CD2 TYR A 29 5.413 -4.451 7.372 1.00 43.42 C ATOM 468 CE1 TYR A 29 4.983 -2.561 5.407 1.00 13.11 C ATOM 469 CE2 TYR A 29 4.201 -3.790 7.302 1.00 23.51 C ATOM 470 CZ TYR A 29 3.992 -2.845 6.321 1.00 61.45 C ATOM 471 OH TYR A 29 2.790 -2.177 6.262 1.00 0.11 O ATOM 0 H TYR A 29 8.204 -2.057 7.373 1.00 22.33 H new ATOM 0 HA TYR A 29 9.697 -4.579 7.582 1.00 61.44 H new ATOM 0 HB2 TYR A 29 8.047 -5.330 5.587 1.00 73.30 H new ATOM 0 HB3 TYR A 29 7.717 -5.724 7.262 1.00 73.30 H new ATOM 0 HD1 TYR A 29 6.960 -2.998 4.751 1.00 15.44 H new ATOM 0 HD2 TYR A 29 5.572 -5.186 8.147 1.00 43.42 H new ATOM 0 HE1 TYR A 29 4.815 -1.820 4.640 1.00 13.11 H new ATOM 0 HE2 TYR A 29 3.420 -4.013 8.014 1.00 23.51 H new ATOM 0 HH TYR A 29 2.677 -1.784 5.371 1.00 0.11 H new ATOM 481 N GLU A 30 10.345 -4.338 5.034 1.00 42.34 N ATOM 482 CA GLU A 30 11.125 -4.073 3.808 1.00 12.14 C ATOM 483 C GLU A 30 10.603 -5.047 2.716 1.00 52.44 C ATOM 484 O GLU A 30 9.790 -5.933 3.048 1.00 61.31 O ATOM 485 CB GLU A 30 12.657 -4.270 4.118 1.00 2.21 C ATOM 486 CG GLU A 30 13.272 -3.173 5.024 1.00 0.53 C ATOM 487 CD GLU A 30 14.767 -3.387 5.338 1.00 2.30 C ATOM 488 OE1 GLU A 30 15.616 -3.129 4.452 1.00 63.50 O ATOM 489 OE2 GLU A 30 15.107 -3.814 6.471 1.00 54.14 O ATOM 0 H GLU A 30 10.287 -5.333 5.253 1.00 42.34 H new ATOM 0 HA GLU A 30 11.006 -3.050 3.452 1.00 12.14 H new ATOM 0 HB2 GLU A 30 12.797 -5.240 4.596 1.00 2.21 H new ATOM 0 HB3 GLU A 30 13.206 -4.296 3.176 1.00 2.21 H new ATOM 0 HG2 GLU A 30 13.148 -2.204 4.540 1.00 0.53 H new ATOM 0 HG3 GLU A 30 12.716 -3.135 5.961 1.00 0.53 H new ATOM 496 N PRO A 31 11.016 -4.934 1.399 1.00 64.00 N ATOM 497 CA PRO A 31 10.566 -5.906 0.360 1.00 4.33 C ATOM 498 C PRO A 31 11.054 -7.335 0.692 1.00 54.21 C ATOM 499 O PRO A 31 10.357 -8.321 0.445 1.00 22.51 O ATOM 500 CB PRO A 31 11.182 -5.353 -0.960 1.00 52.42 C ATOM 501 CG PRO A 31 12.311 -4.456 -0.532 1.00 45.10 C ATOM 502 CD PRO A 31 11.924 -3.895 0.823 1.00 73.43 C ATOM 0 HA PRO A 31 9.482 -5.994 0.292 1.00 4.33 H new ATOM 0 HB2 PRO A 31 11.543 -6.163 -1.594 1.00 52.42 H new ATOM 0 HB3 PRO A 31 10.440 -4.802 -1.538 1.00 52.42 H new ATOM 0 HG2 PRO A 31 13.246 -5.012 -0.469 1.00 45.10 H new ATOM 0 HG3 PRO A 31 12.465 -3.654 -1.254 1.00 45.10 H new ATOM 0 HD2 PRO A 31 12.799 -3.736 1.454 1.00 73.43 H new ATOM 0 HD3 PRO A 31 11.420 -2.933 0.728 1.00 73.43 H new ATOM 510 N ASP A 32 12.233 -7.390 1.331 1.00 42.23 N ATOM 511 CA ASP A 32 12.914 -8.630 1.743 1.00 41.25 C ATOM 512 C ASP A 32 12.521 -9.062 3.180 1.00 33.03 C ATOM 513 O ASP A 32 13.006 -10.087 3.666 1.00 0.52 O ATOM 514 CB ASP A 32 14.455 -8.415 1.659 1.00 73.23 C ATOM 515 CG ASP A 32 14.988 -8.120 0.235 1.00 54.04 C ATOM 516 OD1 ASP A 32 14.471 -7.198 -0.439 1.00 3.25 O ATOM 517 OD2 ASP A 32 15.933 -8.804 -0.217 1.00 72.33 O ATOM 0 H ASP A 32 12.754 -6.550 1.583 1.00 42.23 H new ATOM 0 HA ASP A 32 12.603 -9.428 1.068 1.00 41.25 H new ATOM 0 HB2 ASP A 32 14.730 -7.588 2.314 1.00 73.23 H new ATOM 0 HB3 ASP A 32 14.954 -9.305 2.043 1.00 73.23 H new ATOM 522 N SER A 33 11.643 -8.290 3.857 1.00 44.32 N ATOM 523 CA SER A 33 11.295 -8.524 5.286 1.00 4.12 C ATOM 524 C SER A 33 9.844 -9.054 5.438 1.00 23.43 C ATOM 525 O SER A 33 9.108 -9.174 4.443 1.00 22.23 O ATOM 526 CB SER A 33 11.527 -7.228 6.098 1.00 21.00 C ATOM 527 OG SER A 33 11.471 -7.452 7.496 1.00 51.41 O ATOM 0 H SER A 33 11.158 -7.496 3.440 1.00 44.32 H new ATOM 0 HA SER A 33 11.949 -9.299 5.685 1.00 4.12 H new ATOM 0 HB2 SER A 33 12.499 -6.808 5.838 1.00 21.00 H new ATOM 0 HB3 SER A 33 10.776 -6.489 5.820 1.00 21.00 H new ATOM 0 HG SER A 33 11.625 -6.608 7.969 1.00 51.41 H new ATOM 533 N VAL A 34 9.444 -9.311 6.711 1.00 41.31 N ATOM 534 CA VAL A 34 8.323 -10.207 7.082 1.00 10.34 C ATOM 535 C VAL A 34 8.639 -11.605 6.486 1.00 75.14 C ATOM 536 O VAL A 34 9.409 -12.369 7.073 1.00 53.23 O ATOM 537 CB VAL A 34 6.870 -9.668 6.678 1.00 31.32 C ATOM 538 CG1 VAL A 34 5.735 -10.642 7.119 1.00 12.14 C ATOM 539 CG2 VAL A 34 6.621 -8.253 7.247 1.00 52.15 C ATOM 0 H VAL A 34 9.902 -8.892 7.521 1.00 41.31 H new ATOM 0 HA VAL A 34 8.259 -10.257 8.169 1.00 10.34 H new ATOM 0 HB VAL A 34 6.848 -9.613 5.590 1.00 31.32 H new ATOM 0 HG11 VAL A 34 4.769 -10.233 6.823 1.00 12.14 H new ATOM 0 HG12 VAL A 34 5.881 -11.611 6.641 1.00 12.14 H new ATOM 0 HG13 VAL A 34 5.761 -10.764 8.202 1.00 12.14 H new ATOM 0 HG21 VAL A 34 5.627 -7.914 6.956 1.00 52.15 H new ATOM 0 HG22 VAL A 34 6.692 -8.280 8.334 1.00 52.15 H new ATOM 0 HG23 VAL A 34 7.369 -7.565 6.852 1.00 52.15 H new ATOM 549 N LEU A 35 8.089 -11.882 5.296 1.00 1.51 N ATOM 550 CA LEU A 35 8.420 -13.031 4.444 1.00 73.21 C ATOM 551 C LEU A 35 8.237 -12.552 2.978 1.00 51.22 C ATOM 552 O LEU A 35 7.829 -11.401 2.743 1.00 5.13 O ATOM 553 CB LEU A 35 7.458 -14.256 4.691 1.00 15.23 C ATOM 554 CG LEU A 35 7.664 -15.151 5.965 1.00 22.50 C ATOM 555 CD1 LEU A 35 7.002 -14.553 7.231 1.00 44.51 C ATOM 556 CD2 LEU A 35 7.156 -16.591 5.699 1.00 74.03 C ATOM 0 H LEU A 35 7.371 -11.286 4.884 1.00 1.51 H new ATOM 0 HA LEU A 35 9.434 -13.365 4.664 1.00 73.21 H new ATOM 0 HB2 LEU A 35 6.439 -13.871 4.723 1.00 15.23 H new ATOM 0 HB3 LEU A 35 7.526 -14.907 3.819 1.00 15.23 H new ATOM 0 HG LEU A 35 8.735 -15.184 6.165 1.00 22.50 H new ATOM 0 HD11 LEU A 35 7.177 -15.214 8.080 1.00 44.51 H new ATOM 0 HD12 LEU A 35 7.433 -13.574 7.439 1.00 44.51 H new ATOM 0 HD13 LEU A 35 5.929 -14.450 7.067 1.00 44.51 H new ATOM 0 HD21 LEU A 35 7.305 -17.200 6.591 1.00 74.03 H new ATOM 0 HD22 LEU A 35 6.095 -16.563 5.452 1.00 74.03 H new ATOM 0 HD23 LEU A 35 7.710 -17.024 4.867 1.00 74.03 H new ATOM 568 N PRO A 36 8.506 -13.423 1.958 1.00 75.12 N ATOM 569 CA PRO A 36 7.789 -13.357 0.660 1.00 72.13 C ATOM 570 C PRO A 36 6.359 -13.965 0.851 1.00 74.03 C ATOM 571 O PRO A 36 5.901 -14.771 0.048 1.00 52.13 O ATOM 572 CB PRO A 36 8.715 -14.189 -0.297 1.00 70.23 C ATOM 573 CG PRO A 36 9.979 -14.451 0.480 1.00 12.41 C ATOM 574 CD PRO A 36 9.569 -14.458 1.928 1.00 51.52 C ATOM 0 HA PRO A 36 7.624 -12.357 0.258 1.00 72.13 H new ATOM 0 HB2 PRO A 36 8.236 -15.123 -0.590 1.00 70.23 H new ATOM 0 HB3 PRO A 36 8.926 -13.638 -1.213 1.00 70.23 H new ATOM 0 HG2 PRO A 36 10.425 -15.404 0.194 1.00 12.41 H new ATOM 0 HG3 PRO A 36 10.725 -13.680 0.287 1.00 12.41 H new ATOM 0 HD2 PRO A 36 9.196 -15.433 2.241 1.00 51.52 H new ATOM 0 HD3 PRO A 36 10.400 -14.208 2.588 1.00 51.52 H new ATOM 582 N LEU A 37 5.675 -13.453 1.916 1.00 42.31 N ATOM 583 CA LEU A 37 4.467 -14.012 2.601 1.00 3.44 C ATOM 584 C LEU A 37 4.252 -15.532 2.388 1.00 33.34 C ATOM 585 O LEU A 37 4.580 -16.352 3.255 1.00 71.32 O ATOM 586 CB LEU A 37 3.192 -13.210 2.240 1.00 11.45 C ATOM 587 CG LEU A 37 3.284 -11.660 2.316 1.00 24.21 C ATOM 588 CD1 LEU A 37 1.902 -11.003 2.070 1.00 65.24 C ATOM 589 CD2 LEU A 37 3.947 -11.179 3.635 1.00 53.03 C ATOM 0 H LEU A 37 5.973 -12.579 2.349 1.00 42.31 H new ATOM 0 HA LEU A 37 4.666 -13.897 3.666 1.00 3.44 H new ATOM 0 HB2 LEU A 37 2.897 -13.482 1.226 1.00 11.45 H new ATOM 0 HB3 LEU A 37 2.390 -13.534 2.903 1.00 11.45 H new ATOM 0 HG LEU A 37 3.941 -11.330 1.511 1.00 24.21 H new ATOM 0 HD11 LEU A 37 1.999 -9.919 2.130 1.00 65.24 H new ATOM 0 HD12 LEU A 37 1.538 -11.281 1.081 1.00 65.24 H new ATOM 0 HD13 LEU A 37 1.196 -11.346 2.826 1.00 65.24 H new ATOM 0 HD21 LEU A 37 3.990 -10.090 3.644 1.00 53.03 H new ATOM 0 HD22 LEU A 37 3.360 -11.526 4.485 1.00 53.03 H new ATOM 0 HD23 LEU A 37 4.957 -11.583 3.703 1.00 53.03 H new ATOM 601 N ALA A 38 3.679 -15.877 1.225 1.00 61.44 N ATOM 602 CA ALA A 38 3.513 -17.264 0.752 1.00 73.24 C ATOM 603 C ALA A 38 4.013 -17.329 -0.690 1.00 41.41 C ATOM 604 O ALA A 38 3.894 -16.337 -1.440 1.00 13.50 O ATOM 605 CB ALA A 38 2.051 -17.718 0.850 1.00 13.33 C ATOM 0 H ALA A 38 3.310 -15.186 0.572 1.00 61.44 H new ATOM 0 HA ALA A 38 4.090 -17.941 1.381 1.00 73.24 H new ATOM 0 HB1 ALA A 38 1.964 -18.744 0.494 1.00 13.33 H new ATOM 0 HB2 ALA A 38 1.722 -17.665 1.888 1.00 13.33 H new ATOM 0 HB3 ALA A 38 1.426 -17.067 0.238 1.00 13.33 H new ATOM 611 N ASP A 39 4.568 -18.482 -1.070 1.00 33.05 N ATOM 612 CA ASP A 39 5.322 -18.628 -2.325 1.00 65.31 C ATOM 613 C ASP A 39 4.444 -18.364 -3.564 1.00 33.42 C ATOM 614 O ASP A 39 3.452 -19.063 -3.817 1.00 40.53 O ATOM 615 CB ASP A 39 5.976 -20.031 -2.388 1.00 41.22 C ATOM 616 CG ASP A 39 6.946 -20.201 -3.573 1.00 33.43 C ATOM 617 OD1 ASP A 39 8.128 -19.826 -3.436 1.00 53.32 O ATOM 618 OD2 ASP A 39 6.528 -20.689 -4.647 1.00 11.54 O ATOM 0 H ASP A 39 4.510 -19.340 -0.521 1.00 33.05 H new ATOM 0 HA ASP A 39 6.107 -17.872 -2.335 1.00 65.31 H new ATOM 0 HB2 ASP A 39 6.514 -20.215 -1.458 1.00 41.22 H new ATOM 0 HB3 ASP A 39 5.193 -20.786 -2.458 1.00 41.22 H new ATOM 623 N GLY A 40 4.817 -17.324 -4.328 1.00 73.15 N ATOM 624 CA GLY A 40 4.134 -16.985 -5.569 1.00 13.22 C ATOM 625 C GLY A 40 3.290 -15.725 -5.463 1.00 34.04 C ATOM 626 O GLY A 40 3.819 -14.609 -5.475 1.00 42.23 O ATOM 0 H GLY A 40 5.594 -16.705 -4.098 1.00 73.15 H new ATOM 0 HA2 GLY A 40 4.873 -16.854 -6.359 1.00 13.22 H new ATOM 0 HA3 GLY A 40 3.496 -17.818 -5.864 1.00 13.22 H new ATOM 630 N VAL A 41 1.968 -15.903 -5.328 1.00 4.10 N ATOM 631 CA VAL A 41 0.983 -14.815 -5.446 1.00 52.44 C ATOM 632 C VAL A 41 1.034 -13.818 -4.242 1.00 54.15 C ATOM 633 O VAL A 41 0.981 -12.601 -4.439 1.00 64.21 O ATOM 634 CB VAL A 41 -0.490 -15.364 -5.681 1.00 21.23 C ATOM 635 CG1 VAL A 41 -0.566 -16.138 -7.033 1.00 14.35 C ATOM 636 CG2 VAL A 41 -0.999 -16.238 -4.478 1.00 45.22 C ATOM 0 H VAL A 41 1.548 -16.812 -5.133 1.00 4.10 H new ATOM 0 HA VAL A 41 1.268 -14.250 -6.334 1.00 52.44 H new ATOM 0 HB VAL A 41 -1.162 -14.507 -5.737 1.00 21.23 H new ATOM 0 HG11 VAL A 41 -1.580 -16.509 -7.183 1.00 14.35 H new ATOM 0 HG12 VAL A 41 -0.300 -15.469 -7.851 1.00 14.35 H new ATOM 0 HG13 VAL A 41 0.129 -16.978 -7.011 1.00 14.35 H new ATOM 0 HG21 VAL A 41 -2.010 -16.590 -4.686 1.00 45.22 H new ATOM 0 HG22 VAL A 41 -0.337 -17.094 -4.344 1.00 45.22 H new ATOM 0 HG23 VAL A 41 -1.004 -15.637 -3.568 1.00 45.22 H new ATOM 646 N LEU A 42 1.150 -14.337 -3.002 1.00 72.22 N ATOM 647 CA LEU A 42 1.270 -13.473 -1.784 1.00 2.23 C ATOM 648 C LEU A 42 2.616 -12.718 -1.791 1.00 52.14 C ATOM 649 O LEU A 42 2.704 -11.583 -1.292 1.00 2.03 O ATOM 650 CB LEU A 42 1.131 -14.293 -0.465 1.00 64.52 C ATOM 651 CG LEU A 42 -0.304 -14.721 0.013 1.00 33.22 C ATOM 652 CD1 LEU A 42 -1.227 -13.501 0.215 1.00 73.41 C ATOM 653 CD2 LEU A 42 -0.932 -15.769 -0.910 1.00 5.04 C ATOM 0 H LEU A 42 1.164 -15.338 -2.807 1.00 72.22 H new ATOM 0 HA LEU A 42 0.449 -12.757 -1.817 1.00 2.23 H new ATOM 0 HB2 LEU A 42 1.726 -15.200 -0.576 1.00 64.52 H new ATOM 0 HB3 LEU A 42 1.585 -13.709 0.336 1.00 64.52 H new ATOM 0 HG LEU A 42 -0.184 -15.196 0.987 1.00 33.22 H new ATOM 0 HD11 LEU A 42 -2.209 -13.839 0.545 1.00 73.41 H new ATOM 0 HD12 LEU A 42 -0.798 -12.841 0.969 1.00 73.41 H new ATOM 0 HD13 LEU A 42 -1.327 -12.960 -0.726 1.00 73.41 H new ATOM 0 HD21 LEU A 42 -1.922 -16.034 -0.539 1.00 5.04 H new ATOM 0 HD22 LEU A 42 -1.018 -15.362 -1.917 1.00 5.04 H new ATOM 0 HD23 LEU A 42 -0.303 -16.659 -0.931 1.00 5.04 H new ATOM 665 N SER A 43 3.663 -13.377 -2.327 1.00 53.13 N ATOM 666 CA SER A 43 4.996 -12.759 -2.514 1.00 11.03 C ATOM 667 C SER A 43 4.917 -11.555 -3.476 1.00 21.01 C ATOM 668 O SER A 43 5.463 -10.468 -3.194 1.00 70.15 O ATOM 669 CB SER A 43 5.999 -13.811 -3.042 1.00 52.05 C ATOM 670 OG SER A 43 7.307 -13.280 -3.152 1.00 12.04 O ATOM 0 H SER A 43 3.612 -14.346 -2.641 1.00 53.13 H new ATOM 0 HA SER A 43 5.345 -12.394 -1.548 1.00 11.03 H new ATOM 0 HB2 SER A 43 6.011 -14.671 -2.372 1.00 52.05 H new ATOM 0 HB3 SER A 43 5.669 -14.171 -4.017 1.00 52.05 H new ATOM 0 HG SER A 43 7.914 -13.973 -3.487 1.00 12.04 H new ATOM 676 N PHE A 44 4.198 -11.769 -4.602 1.00 71.04 N ATOM 677 CA PHE A 44 3.891 -10.724 -5.595 1.00 62.21 C ATOM 678 C PHE A 44 3.230 -9.541 -4.877 1.00 14.03 C ATOM 679 O PHE A 44 3.794 -8.461 -4.855 1.00 35.33 O ATOM 680 CB PHE A 44 2.968 -11.305 -6.708 1.00 60.13 C ATOM 681 CG PHE A 44 2.638 -10.359 -7.877 1.00 0.54 C ATOM 682 CD1 PHE A 44 3.529 -10.195 -8.940 1.00 52.42 C ATOM 683 CD2 PHE A 44 1.423 -9.661 -7.933 1.00 45.25 C ATOM 684 CE1 PHE A 44 3.221 -9.377 -10.014 1.00 2.32 C ATOM 685 CE2 PHE A 44 1.122 -8.838 -9.005 1.00 3.21 C ATOM 686 CZ PHE A 44 2.020 -8.700 -10.048 1.00 50.12 C ATOM 0 H PHE A 44 3.813 -12.682 -4.845 1.00 71.04 H new ATOM 0 HA PHE A 44 4.806 -10.376 -6.075 1.00 62.21 H new ATOM 0 HB2 PHE A 44 3.441 -12.199 -7.114 1.00 60.13 H new ATOM 0 HB3 PHE A 44 2.032 -11.620 -6.247 1.00 60.13 H new ATOM 0 HD1 PHE A 44 4.475 -10.716 -8.924 1.00 52.42 H new ATOM 0 HD2 PHE A 44 0.711 -9.767 -7.128 1.00 45.25 H new ATOM 0 HE1 PHE A 44 3.923 -9.269 -10.827 1.00 2.32 H new ATOM 0 HE2 PHE A 44 0.184 -8.303 -9.027 1.00 3.21 H new ATOM 0 HZ PHE A 44 1.781 -8.063 -10.887 1.00 50.12 H new ATOM 696 N ILE A 45 2.101 -9.824 -4.196 1.00 23.02 N ATOM 697 CA ILE A 45 1.305 -8.828 -3.428 1.00 3.55 C ATOM 698 C ILE A 45 2.202 -7.950 -2.517 1.00 70.33 C ATOM 699 O ILE A 45 2.191 -6.723 -2.644 1.00 50.25 O ATOM 700 CB ILE A 45 0.206 -9.554 -2.553 1.00 24.22 C ATOM 701 CG1 ILE A 45 -0.845 -10.285 -3.453 1.00 30.34 C ATOM 702 CG2 ILE A 45 -0.490 -8.582 -1.565 1.00 1.12 C ATOM 703 CD1 ILE A 45 -1.819 -11.177 -2.695 1.00 61.25 C ATOM 0 H ILE A 45 1.705 -10.763 -4.160 1.00 23.02 H new ATOM 0 HA ILE A 45 0.819 -8.175 -4.153 1.00 3.55 H new ATOM 0 HB ILE A 45 0.723 -10.306 -1.956 1.00 24.22 H new ATOM 0 HG12 ILE A 45 -1.413 -9.537 -4.006 1.00 30.34 H new ATOM 0 HG13 ILE A 45 -0.315 -10.891 -4.188 1.00 30.34 H new ATOM 0 HG21 ILE A 45 -1.237 -9.125 -0.986 1.00 1.12 H new ATOM 0 HG22 ILE A 45 0.252 -8.155 -0.891 1.00 1.12 H new ATOM 0 HG23 ILE A 45 -0.976 -7.782 -2.123 1.00 1.12 H new ATOM 0 HD11 ILE A 45 -2.509 -11.642 -3.399 1.00 61.25 H new ATOM 0 HD12 ILE A 45 -1.265 -11.951 -2.164 1.00 61.25 H new ATOM 0 HD13 ILE A 45 -2.380 -10.577 -1.979 1.00 61.25 H new ATOM 715 N HIS A 46 2.986 -8.603 -1.637 1.00 33.34 N ATOM 716 CA HIS A 46 3.865 -7.914 -0.659 1.00 73.42 C ATOM 717 C HIS A 46 4.878 -6.999 -1.355 1.00 13.51 C ATOM 718 O HIS A 46 4.968 -5.803 -1.034 1.00 42.11 O ATOM 719 CB HIS A 46 4.603 -8.954 0.227 1.00 74.34 C ATOM 720 CG HIS A 46 5.655 -8.379 1.167 1.00 14.33 C ATOM 721 ND1 HIS A 46 5.372 -7.444 2.146 1.00 32.04 N ATOM 722 CD2 HIS A 46 6.988 -8.626 1.271 1.00 74.24 C ATOM 723 CE1 HIS A 46 6.486 -7.130 2.790 1.00 22.53 C ATOM 724 NE2 HIS A 46 7.479 -7.837 2.282 1.00 53.04 N ATOM 0 H HIS A 46 3.031 -9.620 -1.580 1.00 33.34 H new ATOM 0 HA HIS A 46 3.232 -7.290 -0.028 1.00 73.42 H new ATOM 0 HB2 HIS A 46 3.863 -9.491 0.821 1.00 74.34 H new ATOM 0 HB3 HIS A 46 5.082 -9.686 -0.423 1.00 74.34 H new ATOM 0 HD2 HIS A 46 7.558 -9.317 0.668 1.00 74.24 H new ATOM 0 HE1 HIS A 46 6.568 -6.415 3.596 1.00 22.53 H new ATOM 0 HE2 HIS A 46 8.451 -7.803 2.590 1.00 53.04 H new ATOM 733 N HIS A 47 5.619 -7.576 -2.315 1.00 73.00 N ATOM 734 CA HIS A 47 6.709 -6.874 -3.014 1.00 62.42 C ATOM 735 C HIS A 47 6.155 -5.632 -3.755 1.00 74.43 C ATOM 736 O HIS A 47 6.734 -4.557 -3.665 1.00 31.50 O ATOM 737 CB HIS A 47 7.423 -7.848 -3.993 1.00 1.24 C ATOM 738 CG HIS A 47 8.848 -7.480 -4.362 1.00 63.01 C ATOM 739 ND1 HIS A 47 9.357 -6.195 -4.325 1.00 44.12 N ATOM 740 CD2 HIS A 47 9.886 -8.266 -4.747 1.00 71.30 C ATOM 741 CE1 HIS A 47 10.634 -6.217 -4.663 1.00 22.02 C ATOM 742 NE2 HIS A 47 10.977 -7.459 -4.926 1.00 65.15 N ATOM 0 H HIS A 47 5.481 -8.537 -2.628 1.00 73.00 H new ATOM 0 HA HIS A 47 7.443 -6.528 -2.286 1.00 62.42 H new ATOM 0 HB2 HIS A 47 7.427 -8.843 -3.548 1.00 1.24 H new ATOM 0 HB3 HIS A 47 6.834 -7.911 -4.908 1.00 1.24 H new ATOM 0 HD1 HIS A 47 8.828 -5.359 -4.075 1.00 44.12 H new ATOM 0 HD2 HIS A 47 9.856 -9.336 -4.887 1.00 71.30 H new ATOM 0 HE1 HIS A 47 11.287 -5.358 -4.715 1.00 22.02 H new ATOM 751 N GLN A 48 4.993 -5.806 -4.422 1.00 1.10 N ATOM 752 CA GLN A 48 4.284 -4.733 -5.176 1.00 41.12 C ATOM 753 C GLN A 48 3.869 -3.579 -4.243 1.00 50.11 C ATOM 754 O GLN A 48 4.129 -2.404 -4.535 1.00 12.21 O ATOM 755 CB GLN A 48 3.021 -5.324 -5.864 1.00 12.10 C ATOM 756 CG GLN A 48 3.316 -6.415 -6.925 1.00 1.41 C ATOM 757 CD GLN A 48 3.632 -5.897 -8.323 1.00 15.00 C ATOM 758 OE1 GLN A 48 2.858 -4.939 -8.779 1.00 24.45 O flip ATOM 759 NE2 GLN A 48 4.493 -6.438 -9.022 1.00 72.14 N flip ATOM 0 H GLN A 48 4.510 -6.704 -4.456 1.00 1.10 H new ATOM 0 HA GLN A 48 4.966 -4.338 -5.929 1.00 41.12 H new ATOM 0 HB2 GLN A 48 2.370 -5.747 -5.098 1.00 12.10 H new ATOM 0 HB3 GLN A 48 2.469 -4.513 -6.339 1.00 12.10 H new ATOM 0 HG2 GLN A 48 4.157 -7.016 -6.580 1.00 1.41 H new ATOM 0 HG3 GLN A 48 2.454 -7.079 -6.988 1.00 1.41 H new ATOM 0 HE21 GLN A 48 5.075 -7.179 -8.632 1.00 72.14 H new ATOM 0 HE22 GLN A 48 4.623 -6.144 -9.990 1.00 72.14 H new ATOM 768 N ILE A 49 3.228 -3.955 -3.118 1.00 4.53 N ATOM 769 CA ILE A 49 2.790 -3.020 -2.058 1.00 21.13 C ATOM 770 C ILE A 49 3.979 -2.181 -1.550 1.00 75.32 C ATOM 771 O ILE A 49 3.846 -0.973 -1.344 1.00 72.24 O ATOM 772 CB ILE A 49 2.077 -3.815 -0.878 1.00 41.10 C ATOM 773 CG1 ILE A 49 0.620 -4.226 -1.305 1.00 40.42 C ATOM 774 CG2 ILE A 49 2.082 -3.050 0.479 1.00 55.31 C ATOM 775 CD1 ILE A 49 -0.167 -5.032 -0.278 1.00 74.33 C ATOM 0 H ILE A 49 2.996 -4.928 -2.916 1.00 4.53 H new ATOM 0 HA ILE A 49 2.059 -2.328 -2.476 1.00 21.13 H new ATOM 0 HB ILE A 49 2.664 -4.716 -0.703 1.00 41.10 H new ATOM 0 HG12 ILE A 49 0.060 -3.320 -1.536 1.00 40.42 H new ATOM 0 HG13 ILE A 49 0.681 -4.806 -2.226 1.00 40.42 H new ATOM 0 HG21 ILE A 49 1.580 -3.651 1.237 1.00 55.31 H new ATOM 0 HG22 ILE A 49 3.111 -2.863 0.787 1.00 55.31 H new ATOM 0 HG23 ILE A 49 1.559 -2.101 0.363 1.00 55.31 H new ATOM 0 HD11 ILE A 49 -1.156 -5.261 -0.675 1.00 74.33 H new ATOM 0 HD12 ILE A 49 0.361 -5.961 -0.062 1.00 74.33 H new ATOM 0 HD13 ILE A 49 -0.270 -4.451 0.639 1.00 74.33 H new ATOM 787 N ILE A 50 5.145 -2.831 -1.403 1.00 54.20 N ATOM 788 CA ILE A 50 6.378 -2.156 -0.965 1.00 73.11 C ATOM 789 C ILE A 50 6.914 -1.191 -2.050 1.00 44.52 C ATOM 790 O ILE A 50 7.344 -0.071 -1.721 1.00 41.24 O ATOM 791 CB ILE A 50 7.482 -3.196 -0.553 1.00 63.23 C ATOM 792 CG1 ILE A 50 7.026 -4.042 0.682 1.00 71.44 C ATOM 793 CG2 ILE A 50 8.834 -2.505 -0.279 1.00 51.13 C ATOM 794 CD1 ILE A 50 6.761 -3.241 1.952 1.00 62.20 C ATOM 0 H ILE A 50 5.260 -3.829 -1.582 1.00 54.20 H new ATOM 0 HA ILE A 50 6.126 -1.563 -0.086 1.00 73.11 H new ATOM 0 HB ILE A 50 7.622 -3.875 -1.394 1.00 63.23 H new ATOM 0 HG12 ILE A 50 6.118 -4.584 0.417 1.00 71.44 H new ATOM 0 HG13 ILE A 50 7.792 -4.788 0.895 1.00 71.44 H new ATOM 0 HG21 ILE A 50 9.574 -3.253 0.003 1.00 51.13 H new ATOM 0 HG22 ILE A 50 9.167 -1.987 -1.178 1.00 51.13 H new ATOM 0 HG23 ILE A 50 8.717 -1.786 0.532 1.00 51.13 H new ATOM 0 HD11 ILE A 50 6.451 -3.916 2.750 1.00 62.20 H new ATOM 0 HD12 ILE A 50 7.671 -2.721 2.250 1.00 62.20 H new ATOM 0 HD13 ILE A 50 5.971 -2.513 1.765 1.00 62.20 H new ATOM 806 N GLU A 51 6.888 -1.622 -3.333 1.00 60.20 N ATOM 807 CA GLU A 51 7.355 -0.779 -4.465 1.00 32.23 C ATOM 808 C GLU A 51 6.555 0.526 -4.513 1.00 61.12 C ATOM 809 O GLU A 51 7.129 1.610 -4.600 1.00 42.13 O ATOM 810 CB GLU A 51 7.254 -1.515 -5.839 1.00 24.15 C ATOM 811 CG GLU A 51 7.988 -2.873 -5.920 1.00 52.33 C ATOM 812 CD GLU A 51 9.390 -2.858 -5.280 1.00 53.01 C ATOM 813 OE1 GLU A 51 10.365 -2.467 -5.954 1.00 23.23 O ATOM 814 OE2 GLU A 51 9.522 -3.235 -4.085 1.00 64.10 O ATOM 0 H GLU A 51 6.551 -2.543 -3.612 1.00 60.20 H new ATOM 0 HA GLU A 51 8.409 -0.561 -4.290 1.00 32.23 H new ATOM 0 HB2 GLU A 51 6.201 -1.676 -6.069 1.00 24.15 H new ATOM 0 HB3 GLU A 51 7.652 -0.859 -6.613 1.00 24.15 H new ATOM 0 HG2 GLU A 51 7.382 -3.634 -5.428 1.00 52.33 H new ATOM 0 HG3 GLU A 51 8.079 -3.165 -6.966 1.00 52.33 H new ATOM 821 N LEU A 52 5.231 0.383 -4.384 1.00 30.43 N ATOM 822 CA LEU A 52 4.276 1.499 -4.427 1.00 21.43 C ATOM 823 C LEU A 52 4.335 2.366 -3.152 1.00 62.32 C ATOM 824 O LEU A 52 4.169 3.573 -3.239 1.00 60.20 O ATOM 825 CB LEU A 52 2.857 0.931 -4.651 1.00 33.22 C ATOM 826 CG LEU A 52 2.603 0.300 -6.065 1.00 33.34 C ATOM 827 CD1 LEU A 52 1.511 -0.781 -6.004 1.00 50.22 C ATOM 828 CD2 LEU A 52 2.253 1.390 -7.115 1.00 32.24 C ATOM 0 H LEU A 52 4.785 -0.524 -4.245 1.00 30.43 H new ATOM 0 HA LEU A 52 4.544 2.157 -5.254 1.00 21.43 H new ATOM 0 HB2 LEU A 52 2.663 0.172 -3.893 1.00 33.22 H new ATOM 0 HB3 LEU A 52 2.134 1.731 -4.493 1.00 33.22 H new ATOM 0 HG LEU A 52 3.529 -0.180 -6.382 1.00 33.34 H new ATOM 0 HD11 LEU A 52 1.357 -1.200 -6.999 1.00 50.22 H new ATOM 0 HD12 LEU A 52 1.820 -1.572 -5.321 1.00 50.22 H new ATOM 0 HD13 LEU A 52 0.580 -0.338 -5.649 1.00 50.22 H new ATOM 0 HD21 LEU A 52 2.083 0.921 -8.084 1.00 32.24 H new ATOM 0 HD22 LEU A 52 1.352 1.918 -6.804 1.00 32.24 H new ATOM 0 HD23 LEU A 52 3.079 2.097 -7.194 1.00 32.24 H new ATOM 840 N ALA A 53 4.568 1.748 -1.978 1.00 4.23 N ATOM 841 CA ALA A 53 4.681 2.492 -0.697 1.00 44.31 C ATOM 842 C ALA A 53 5.906 3.427 -0.718 1.00 34.52 C ATOM 843 O ALA A 53 5.791 4.636 -0.469 1.00 34.22 O ATOM 844 CB ALA A 53 4.761 1.529 0.500 1.00 74.02 C ATOM 0 H ALA A 53 4.682 0.739 -1.885 1.00 4.23 H new ATOM 0 HA ALA A 53 3.782 3.098 -0.583 1.00 44.31 H new ATOM 0 HB1 ALA A 53 4.843 2.102 1.423 1.00 74.02 H new ATOM 0 HB2 ALA A 53 3.861 0.914 0.533 1.00 74.02 H new ATOM 0 HB3 ALA A 53 5.635 0.887 0.393 1.00 74.02 H new ATOM 850 N ARG A 54 7.071 2.846 -1.052 1.00 34.35 N ATOM 851 CA ARG A 54 8.339 3.593 -1.170 1.00 63.05 C ATOM 852 C ARG A 54 8.272 4.618 -2.322 1.00 4.41 C ATOM 853 O ARG A 54 8.827 5.713 -2.211 1.00 1.02 O ATOM 854 CB ARG A 54 9.527 2.616 -1.366 1.00 63.31 C ATOM 855 CG ARG A 54 9.766 1.653 -0.179 1.00 42.04 C ATOM 856 CD ARG A 54 10.985 0.733 -0.398 1.00 51.34 C ATOM 857 NE ARG A 54 10.823 -0.127 -1.599 1.00 24.41 N ATOM 858 CZ ARG A 54 11.817 -0.490 -2.439 1.00 71.03 C ATOM 859 NH1 ARG A 54 13.060 -0.077 -2.239 1.00 53.12 N ATOM 860 NH2 ARG A 54 11.561 -1.298 -3.450 1.00 52.42 N ATOM 0 H ARG A 54 7.162 1.849 -1.248 1.00 34.35 H new ATOM 0 HA ARG A 54 8.498 4.145 -0.243 1.00 63.05 H new ATOM 0 HB2 ARG A 54 9.352 2.027 -2.266 1.00 63.31 H new ATOM 0 HB3 ARG A 54 10.434 3.196 -1.536 1.00 63.31 H new ATOM 0 HG2 ARG A 54 9.913 2.234 0.732 1.00 42.04 H new ATOM 0 HG3 ARG A 54 8.877 1.042 -0.027 1.00 42.04 H new ATOM 0 HD2 ARG A 54 11.883 1.341 -0.505 1.00 51.34 H new ATOM 0 HD3 ARG A 54 11.128 0.105 0.481 1.00 51.34 H new ATOM 0 HE ARG A 54 9.885 -0.471 -1.806 1.00 24.41 H new ATOM 0 HH11 ARG A 54 13.276 0.523 -1.443 1.00 53.12 H new ATOM 0 HH12 ARG A 54 13.801 -0.359 -2.881 1.00 53.12 H new ATOM 0 HH21 ARG A 54 10.614 -1.647 -3.596 1.00 52.42 H new ATOM 0 HH22 ARG A 54 12.310 -1.573 -4.085 1.00 52.42 H new ATOM 874 N ASP A 55 7.582 4.241 -3.423 1.00 61.34 N ATOM 875 CA ASP A 55 7.311 5.149 -4.566 1.00 60.54 C ATOM 876 C ASP A 55 6.514 6.377 -4.101 1.00 64.32 C ATOM 877 O ASP A 55 6.926 7.498 -4.353 1.00 51.35 O ATOM 878 CB ASP A 55 6.556 4.387 -5.700 1.00 3.31 C ATOM 879 CG ASP A 55 5.820 5.288 -6.718 1.00 41.34 C ATOM 880 OD1 ASP A 55 6.481 5.957 -7.545 1.00 63.50 O ATOM 881 OD2 ASP A 55 4.574 5.322 -6.699 1.00 34.14 O ATOM 0 H ASP A 55 7.198 3.304 -3.546 1.00 61.34 H new ATOM 0 HA ASP A 55 8.263 5.497 -4.968 1.00 60.54 H new ATOM 0 HB2 ASP A 55 7.272 3.766 -6.239 1.00 3.31 H new ATOM 0 HB3 ASP A 55 5.831 3.713 -5.243 1.00 3.31 H new ATOM 886 N CYS A 56 5.403 6.132 -3.389 1.00 72.33 N ATOM 887 CA CYS A 56 4.488 7.189 -2.899 1.00 53.54 C ATOM 888 C CYS A 56 5.234 8.164 -1.978 1.00 64.24 C ATOM 889 O CYS A 56 5.133 9.392 -2.123 1.00 20.33 O ATOM 890 CB CYS A 56 3.308 6.555 -2.128 1.00 53.33 C ATOM 891 SG CYS A 56 2.006 7.724 -1.648 1.00 54.15 S ATOM 0 H CYS A 56 5.107 5.190 -3.132 1.00 72.33 H new ATOM 0 HA CYS A 56 4.106 7.737 -3.761 1.00 53.54 H new ATOM 0 HB2 CYS A 56 2.866 5.772 -2.745 1.00 53.33 H new ATOM 0 HB3 CYS A 56 3.695 6.073 -1.230 1.00 53.33 H new ATOM 0 HG CYS A 56 2.503 8.923 -1.580 1.00 54.15 H new ATOM 897 N LEU A 57 6.009 7.573 -1.060 1.00 65.42 N ATOM 898 CA LEU A 57 6.811 8.287 -0.061 1.00 12.23 C ATOM 899 C LEU A 57 7.869 9.192 -0.728 1.00 64.14 C ATOM 900 O LEU A 57 8.005 10.372 -0.374 1.00 54.21 O ATOM 901 CB LEU A 57 7.460 7.230 0.880 1.00 31.51 C ATOM 902 CG LEU A 57 8.296 7.758 2.085 1.00 63.31 C ATOM 903 CD1 LEU A 57 7.533 8.853 2.851 1.00 15.44 C ATOM 904 CD2 LEU A 57 8.692 6.597 3.033 1.00 30.32 C ATOM 0 H LEU A 57 6.097 6.559 -0.990 1.00 65.42 H new ATOM 0 HA LEU A 57 6.174 8.952 0.523 1.00 12.23 H new ATOM 0 HB2 LEU A 57 6.665 6.597 1.274 1.00 31.51 H new ATOM 0 HB3 LEU A 57 8.106 6.593 0.276 1.00 31.51 H new ATOM 0 HG LEU A 57 9.210 8.201 1.689 1.00 63.31 H new ATOM 0 HD11 LEU A 57 8.140 9.203 3.686 1.00 15.44 H new ATOM 0 HD12 LEU A 57 7.323 9.687 2.181 1.00 15.44 H new ATOM 0 HD13 LEU A 57 6.595 8.446 3.229 1.00 15.44 H new ATOM 0 HD21 LEU A 57 9.275 6.990 3.866 1.00 30.32 H new ATOM 0 HD22 LEU A 57 7.792 6.116 3.415 1.00 30.32 H new ATOM 0 HD23 LEU A 57 9.289 5.867 2.485 1.00 30.32 H new ATOM 916 N THR A 58 8.594 8.630 -1.706 1.00 22.03 N ATOM 917 CA THR A 58 9.649 9.353 -2.444 1.00 4.21 C ATOM 918 C THR A 58 9.046 10.436 -3.373 1.00 74.21 C ATOM 919 O THR A 58 9.620 11.512 -3.540 1.00 45.30 O ATOM 920 CB THR A 58 10.523 8.355 -3.280 1.00 4.01 C ATOM 921 OG1 THR A 58 11.069 7.354 -2.405 1.00 11.00 O ATOM 922 CG2 THR A 58 11.679 9.044 -4.037 1.00 54.51 C ATOM 0 H THR A 58 8.469 7.664 -2.010 1.00 22.03 H new ATOM 0 HA THR A 58 10.283 9.849 -1.709 1.00 4.21 H new ATOM 0 HB THR A 58 9.867 7.911 -4.029 1.00 4.01 H new ATOM 0 HG1 THR A 58 10.394 6.664 -2.236 1.00 11.00 H new ATOM 0 HG21 THR A 58 12.244 8.298 -4.595 1.00 54.51 H new ATOM 0 HG22 THR A 58 11.272 9.783 -4.728 1.00 54.51 H new ATOM 0 HG23 THR A 58 12.338 9.539 -3.323 1.00 54.51 H new ATOM 930 N LYS A 59 7.871 10.134 -3.938 1.00 42.15 N ATOM 931 CA LYS A 59 7.197 10.969 -4.961 1.00 35.32 C ATOM 932 C LYS A 59 6.440 12.149 -4.312 1.00 73.01 C ATOM 933 O LYS A 59 6.203 13.185 -4.955 1.00 64.34 O ATOM 934 CB LYS A 59 6.265 10.051 -5.792 1.00 3.23 C ATOM 935 CG LYS A 59 5.566 10.689 -7.009 1.00 74.31 C ATOM 936 CD LYS A 59 5.030 9.632 -8.007 1.00 52.32 C ATOM 937 CE LYS A 59 4.032 8.646 -7.388 1.00 34.22 C ATOM 938 NZ LYS A 59 3.695 7.562 -8.345 1.00 71.33 N ATOM 0 H LYS A 59 7.347 9.292 -3.699 1.00 42.15 H new ATOM 0 HA LYS A 59 7.933 11.422 -5.625 1.00 35.32 H new ATOM 0 HB2 LYS A 59 6.850 9.201 -6.143 1.00 3.23 H new ATOM 0 HB3 LYS A 59 5.497 9.656 -5.127 1.00 3.23 H new ATOM 0 HG2 LYS A 59 4.740 11.311 -6.665 1.00 74.31 H new ATOM 0 HG3 LYS A 59 6.267 11.347 -7.523 1.00 74.31 H new ATOM 0 HD2 LYS A 59 4.551 10.144 -8.841 1.00 52.32 H new ATOM 0 HD3 LYS A 59 5.871 9.073 -8.417 1.00 52.32 H new ATOM 0 HE2 LYS A 59 4.455 8.216 -6.480 1.00 34.22 H new ATOM 0 HE3 LYS A 59 3.124 9.175 -7.098 1.00 34.22 H new ATOM 0 HZ1 LYS A 59 2.699 7.288 -8.222 1.00 71.33 H new ATOM 0 HZ2 LYS A 59 3.844 7.899 -9.318 1.00 71.33 H new ATOM 0 HZ3 LYS A 59 4.305 6.739 -8.167 1.00 71.33 H new ATOM 952 N SER A 60 6.078 11.979 -3.024 1.00 23.33 N ATOM 953 CA SER A 60 5.454 13.035 -2.186 1.00 64.42 C ATOM 954 C SER A 60 6.375 14.290 -2.038 1.00 23.32 C ATOM 955 O SER A 60 5.900 15.383 -1.701 1.00 65.14 O ATOM 956 CB SER A 60 5.086 12.432 -0.801 1.00 23.02 C ATOM 957 OG SER A 60 4.268 13.305 -0.038 1.00 61.43 O ATOM 0 H SER A 60 6.210 11.098 -2.527 1.00 23.33 H new ATOM 0 HA SER A 60 4.547 13.383 -2.681 1.00 64.42 H new ATOM 0 HB2 SER A 60 4.568 11.484 -0.945 1.00 23.02 H new ATOM 0 HB3 SER A 60 5.999 12.215 -0.247 1.00 23.02 H new ATOM 0 HG SER A 60 4.769 13.624 0.742 1.00 61.43 H new ATOM 963 N ARG A 61 7.690 14.085 -2.299 1.00 70.55 N ATOM 964 CA ARG A 61 8.750 15.129 -2.267 1.00 14.00 C ATOM 965 C ARG A 61 8.369 16.407 -3.042 1.00 70.33 C ATOM 966 O ARG A 61 8.382 17.514 -2.496 1.00 40.40 O ATOM 967 CB ARG A 61 10.051 14.555 -2.907 1.00 73.23 C ATOM 968 CG ARG A 61 11.275 15.511 -2.914 1.00 33.31 C ATOM 969 CD ARG A 61 12.409 15.025 -3.845 1.00 44.42 C ATOM 970 NE ARG A 61 11.989 15.018 -5.268 1.00 51.20 N ATOM 971 CZ ARG A 61 12.797 14.810 -6.327 1.00 65.52 C ATOM 972 NH1 ARG A 61 14.103 14.594 -6.173 1.00 34.33 N ATOM 973 NH2 ARG A 61 12.285 14.847 -7.546 1.00 24.04 N ATOM 0 H ARG A 61 8.054 13.165 -2.544 1.00 70.55 H new ATOM 0 HA ARG A 61 8.890 15.399 -1.220 1.00 14.00 H new ATOM 0 HB2 ARG A 61 10.326 13.646 -2.373 1.00 73.23 H new ATOM 0 HB3 ARG A 61 9.832 14.267 -3.935 1.00 73.23 H new ATOM 0 HG2 ARG A 61 10.953 16.504 -3.229 1.00 33.31 H new ATOM 0 HG3 ARG A 61 11.661 15.608 -1.899 1.00 33.31 H new ATOM 0 HD2 ARG A 61 13.279 15.671 -3.726 1.00 44.42 H new ATOM 0 HD3 ARG A 61 12.715 14.021 -3.551 1.00 44.42 H new ATOM 0 HE ARG A 61 11.002 15.185 -5.462 1.00 51.20 H new ATOM 0 HH11 ARG A 61 14.511 14.584 -5.238 1.00 34.33 H new ATOM 0 HH12 ARG A 61 14.694 14.439 -6.990 1.00 34.33 H new ATOM 0 HH21 ARG A 61 11.290 15.031 -7.676 1.00 24.04 H new ATOM 0 HH22 ARG A 61 12.885 14.691 -8.356 1.00 24.04 H new ATOM 987 N ASP A 62 8.011 16.210 -4.316 1.00 33.22 N ATOM 988 CA ASP A 62 7.943 17.278 -5.337 1.00 14.45 C ATOM 989 C ASP A 62 6.826 18.301 -5.078 1.00 30.25 C ATOM 990 O ASP A 62 6.849 19.395 -5.657 1.00 22.20 O ATOM 991 CB ASP A 62 7.745 16.639 -6.738 1.00 73.41 C ATOM 992 CG ASP A 62 8.916 15.730 -7.161 1.00 31.34 C ATOM 993 OD1 ASP A 62 9.089 14.639 -6.565 1.00 34.14 O ATOM 994 OD2 ASP A 62 9.687 16.109 -8.068 1.00 31.01 O ATOM 0 H ASP A 62 7.755 15.292 -4.679 1.00 33.22 H new ATOM 0 HA ASP A 62 8.885 17.823 -5.286 1.00 14.45 H new ATOM 0 HB2 ASP A 62 6.823 16.057 -6.738 1.00 73.41 H new ATOM 0 HB3 ASP A 62 7.622 17.430 -7.477 1.00 73.41 H new ATOM 999 N GLY A 63 5.854 17.952 -4.212 1.00 23.24 N ATOM 1000 CA GLY A 63 4.617 18.735 -4.084 1.00 24.30 C ATOM 1001 C GLY A 63 3.749 18.613 -5.335 1.00 73.02 C ATOM 1002 O GLY A 63 2.892 19.465 -5.606 1.00 22.11 O ATOM 0 H GLY A 63 5.904 17.140 -3.597 1.00 23.24 H new ATOM 0 HA2 GLY A 63 4.056 18.392 -3.215 1.00 24.30 H new ATOM 0 HA3 GLY A 63 4.864 19.783 -3.911 1.00 24.30 H new ATOM 1006 N LEU A 64 3.995 17.528 -6.091 1.00 53.32 N ATOM 1007 CA LEU A 64 3.331 17.239 -7.358 1.00 4.45 C ATOM 1008 C LEU A 64 2.303 16.119 -7.084 1.00 50.12 C ATOM 1009 O LEU A 64 1.158 16.420 -6.721 1.00 64.30 O ATOM 1010 CB LEU A 64 4.425 16.846 -8.424 1.00 3.22 C ATOM 1011 CG LEU A 64 4.071 16.872 -9.961 1.00 13.03 C ATOM 1012 CD1 LEU A 64 5.325 16.537 -10.809 1.00 3.22 C ATOM 1013 CD2 LEU A 64 2.896 15.940 -10.353 1.00 42.20 C ATOM 0 H LEU A 64 4.677 16.817 -5.825 1.00 53.32 H new ATOM 0 HA LEU A 64 2.797 18.097 -7.767 1.00 4.45 H new ATOM 0 HB2 LEU A 64 5.276 17.511 -8.276 1.00 3.22 H new ATOM 0 HB3 LEU A 64 4.763 15.837 -8.186 1.00 3.22 H new ATOM 0 HG LEU A 64 3.736 17.887 -10.174 1.00 13.03 H new ATOM 0 HD11 LEU A 64 5.065 16.559 -11.867 1.00 3.22 H new ATOM 0 HD12 LEU A 64 6.105 17.273 -10.612 1.00 3.22 H new ATOM 0 HD13 LEU A 64 5.688 15.544 -10.545 1.00 3.22 H new ATOM 0 HD21 LEU A 64 2.714 16.015 -11.425 1.00 42.20 H new ATOM 0 HD22 LEU A 64 3.148 14.910 -10.098 1.00 42.20 H new ATOM 0 HD23 LEU A 64 1.998 16.239 -9.811 1.00 42.20 H new ATOM 1025 N ILE A 65 2.775 14.842 -7.141 1.00 44.22 N ATOM 1026 CA ILE A 65 1.931 13.620 -7.187 1.00 61.31 C ATOM 1027 C ILE A 65 0.811 13.749 -8.256 1.00 2.11 C ATOM 1028 O ILE A 65 -0.142 14.530 -8.094 1.00 40.20 O ATOM 1029 CB ILE A 65 1.340 13.188 -5.766 1.00 1.23 C ATOM 1030 CG1 ILE A 65 2.485 12.663 -4.821 1.00 24.35 C ATOM 1031 CG2 ILE A 65 0.203 12.125 -5.903 1.00 0.02 C ATOM 1032 CD1 ILE A 65 2.031 12.172 -3.444 1.00 2.43 C ATOM 0 H ILE A 65 3.773 14.633 -7.156 1.00 44.22 H new ATOM 0 HA ILE A 65 2.598 12.810 -7.483 1.00 61.31 H new ATOM 0 HB ILE A 65 0.899 14.077 -5.316 1.00 1.23 H new ATOM 0 HG12 ILE A 65 3.003 11.847 -5.325 1.00 24.35 H new ATOM 0 HG13 ILE A 65 3.212 13.463 -4.680 1.00 24.35 H new ATOM 0 HG21 ILE A 65 -0.169 11.861 -4.913 1.00 0.02 H new ATOM 0 HG22 ILE A 65 -0.611 12.538 -6.498 1.00 0.02 H new ATOM 0 HG23 ILE A 65 0.595 11.234 -6.393 1.00 0.02 H new ATOM 0 HD11 ILE A 65 2.897 11.833 -2.875 1.00 2.43 H new ATOM 0 HD12 ILE A 65 1.542 12.987 -2.910 1.00 2.43 H new ATOM 0 HD13 ILE A 65 1.330 11.346 -3.565 1.00 2.43 H new ATOM 1044 N THR A 66 0.962 12.994 -9.359 1.00 4.13 N ATOM 1045 CA THR A 66 -0.047 12.910 -10.424 1.00 31.34 C ATOM 1046 C THR A 66 -1.397 12.457 -9.830 1.00 22.04 C ATOM 1047 O THR A 66 -1.420 11.546 -8.991 1.00 63.13 O ATOM 1048 CB THR A 66 0.424 11.916 -11.533 1.00 1.21 C ATOM 1049 OG1 THR A 66 1.762 12.257 -11.929 1.00 32.24 O ATOM 1050 CG2 THR A 66 -0.489 11.925 -12.769 1.00 3.01 C ATOM 0 H THR A 66 1.790 12.425 -9.535 1.00 4.13 H new ATOM 0 HA THR A 66 -0.175 13.894 -10.875 1.00 31.34 H new ATOM 0 HB THR A 66 0.383 10.912 -11.111 1.00 1.21 H new ATOM 0 HG1 THR A 66 2.066 11.636 -12.624 1.00 32.24 H new ATOM 0 HG21 THR A 66 -0.112 11.215 -13.505 1.00 3.01 H new ATOM 0 HG22 THR A 66 -1.500 11.642 -12.477 1.00 3.01 H new ATOM 0 HG23 THR A 66 -0.504 12.925 -13.203 1.00 3.01 H new ATOM 1058 N THR A 67 -2.500 13.103 -10.263 1.00 73.45 N ATOM 1059 CA THR A 67 -3.852 12.865 -9.711 1.00 31.23 C ATOM 1060 C THR A 67 -4.242 11.369 -9.797 1.00 52.34 C ATOM 1061 O THR A 67 -4.944 10.866 -8.922 1.00 11.44 O ATOM 1062 CB THR A 67 -4.926 13.757 -10.434 1.00 35.23 C ATOM 1063 OG1 THR A 67 -6.216 13.629 -9.797 1.00 23.15 O ATOM 1064 CG2 THR A 67 -5.052 13.413 -11.931 1.00 33.51 C ATOM 0 H THR A 67 -2.479 13.804 -11.004 1.00 73.45 H new ATOM 0 HA THR A 67 -3.827 13.147 -8.658 1.00 31.23 H new ATOM 0 HB THR A 67 -4.584 14.789 -10.351 1.00 35.23 H new ATOM 0 HG1 THR A 67 -6.868 14.194 -10.262 1.00 23.15 H new ATOM 0 HG21 THR A 67 -5.805 14.054 -12.389 1.00 33.51 H new ATOM 0 HG22 THR A 67 -4.092 13.572 -12.423 1.00 33.51 H new ATOM 0 HG23 THR A 67 -5.348 12.370 -12.041 1.00 33.51 H new ATOM 1072 N VAL A 68 -3.718 10.677 -10.838 1.00 10.15 N ATOM 1073 CA VAL A 68 -3.964 9.240 -11.085 1.00 20.22 C ATOM 1074 C VAL A 68 -3.571 8.379 -9.870 1.00 41.25 C ATOM 1075 O VAL A 68 -4.287 7.440 -9.528 1.00 1.22 O ATOM 1076 CB VAL A 68 -3.146 8.725 -12.340 1.00 1.40 C ATOM 1077 CG1 VAL A 68 -3.396 7.212 -12.633 1.00 20.23 C ATOM 1078 CG2 VAL A 68 -3.429 9.594 -13.589 1.00 22.21 C ATOM 0 H VAL A 68 -3.108 11.106 -11.534 1.00 10.15 H new ATOM 0 HA VAL A 68 -5.033 9.140 -11.272 1.00 20.22 H new ATOM 0 HB VAL A 68 -2.090 8.826 -12.091 1.00 1.40 H new ATOM 0 HG11 VAL A 68 -2.813 6.908 -13.502 1.00 20.23 H new ATOM 0 HG12 VAL A 68 -3.095 6.619 -11.769 1.00 20.23 H new ATOM 0 HG13 VAL A 68 -4.455 7.050 -12.833 1.00 20.23 H new ATOM 0 HG21 VAL A 68 -2.853 9.216 -14.434 1.00 22.21 H new ATOM 0 HG22 VAL A 68 -4.492 9.554 -13.827 1.00 22.21 H new ATOM 0 HG23 VAL A 68 -3.141 10.626 -13.387 1.00 22.21 H new ATOM 1088 N TYR A 69 -2.450 8.750 -9.215 1.00 22.10 N ATOM 1089 CA TYR A 69 -1.724 7.853 -8.304 1.00 20.23 C ATOM 1090 C TYR A 69 -2.579 7.259 -7.165 1.00 23.43 C ATOM 1091 O TYR A 69 -2.539 6.057 -6.966 1.00 31.33 O ATOM 1092 CB TYR A 69 -0.469 8.510 -7.685 1.00 33.30 C ATOM 1093 CG TYR A 69 0.274 7.507 -6.797 1.00 2.54 C ATOM 1094 CD1 TYR A 69 0.820 6.352 -7.356 1.00 0.55 C ATOM 1095 CD2 TYR A 69 0.330 7.647 -5.409 1.00 4.13 C ATOM 1096 CE1 TYR A 69 1.395 5.385 -6.579 1.00 65.14 C ATOM 1097 CE2 TYR A 69 0.922 6.684 -4.633 1.00 32.32 C ATOM 1098 CZ TYR A 69 1.447 5.552 -5.218 1.00 2.32 C ATOM 1099 OH TYR A 69 2.007 4.577 -4.434 1.00 3.43 O ATOM 0 H TYR A 69 -2.029 9.675 -9.305 1.00 22.10 H new ATOM 0 HA TYR A 69 -1.426 7.033 -8.958 1.00 20.23 H new ATOM 0 HB2 TYR A 69 0.192 8.865 -8.476 1.00 33.30 H new ATOM 0 HB3 TYR A 69 -0.759 9.381 -7.097 1.00 33.30 H new ATOM 0 HD1 TYR A 69 0.788 6.218 -8.427 1.00 0.55 H new ATOM 0 HD2 TYR A 69 -0.097 8.522 -4.942 1.00 4.13 H new ATOM 0 HE1 TYR A 69 1.806 4.495 -7.034 1.00 65.14 H new ATOM 0 HE2 TYR A 69 0.977 6.813 -3.562 1.00 32.32 H new ATOM 0 HH TYR A 69 2.984 4.644 -4.476 1.00 3.43 H new ATOM 1109 N PHE A 70 -3.288 8.100 -6.396 1.00 11.11 N ATOM 1110 CA PHE A 70 -4.085 7.628 -5.222 1.00 72.11 C ATOM 1111 C PHE A 70 -5.069 6.511 -5.639 1.00 20.42 C ATOM 1112 O PHE A 70 -5.277 5.522 -4.921 1.00 41.12 O ATOM 1113 CB PHE A 70 -4.854 8.806 -4.568 1.00 71.44 C ATOM 1114 CG PHE A 70 -3.957 9.946 -4.065 1.00 35.54 C ATOM 1115 CD1 PHE A 70 -2.987 9.707 -3.089 1.00 5.32 C ATOM 1116 CD2 PHE A 70 -4.073 11.247 -4.566 1.00 55.40 C ATOM 1117 CE1 PHE A 70 -2.169 10.724 -2.627 1.00 74.42 C ATOM 1118 CE2 PHE A 70 -3.252 12.264 -4.102 1.00 44.43 C ATOM 1119 CZ PHE A 70 -2.302 12.002 -3.132 1.00 1.44 C ATOM 0 H PHE A 70 -3.334 9.107 -6.554 1.00 11.11 H new ATOM 0 HA PHE A 70 -3.390 7.220 -4.488 1.00 72.11 H new ATOM 0 HB2 PHE A 70 -5.562 9.209 -5.293 1.00 71.44 H new ATOM 0 HB3 PHE A 70 -5.438 8.423 -3.731 1.00 71.44 H new ATOM 0 HD1 PHE A 70 -2.873 8.711 -2.687 1.00 5.32 H new ATOM 0 HD2 PHE A 70 -4.812 11.462 -5.324 1.00 55.40 H new ATOM 0 HE1 PHE A 70 -1.426 10.517 -1.871 1.00 74.42 H new ATOM 0 HE2 PHE A 70 -3.355 13.263 -4.499 1.00 44.43 H new ATOM 0 HZ PHE A 70 -1.665 12.796 -2.770 1.00 1.44 H new ATOM 1129 N TYR A 71 -5.596 6.668 -6.861 1.00 44.23 N ATOM 1130 CA TYR A 71 -6.608 5.777 -7.449 1.00 72.11 C ATOM 1131 C TYR A 71 -5.928 4.499 -7.989 1.00 22.23 C ATOM 1132 O TYR A 71 -6.425 3.398 -7.780 1.00 10.41 O ATOM 1133 CB TYR A 71 -7.376 6.525 -8.585 1.00 11.33 C ATOM 1134 CG TYR A 71 -7.699 8.015 -8.294 1.00 32.04 C ATOM 1135 CD1 TYR A 71 -8.006 8.476 -6.997 1.00 62.41 C ATOM 1136 CD2 TYR A 71 -7.670 8.962 -9.316 1.00 14.13 C ATOM 1137 CE1 TYR A 71 -8.259 9.814 -6.750 1.00 24.03 C ATOM 1138 CE2 TYR A 71 -7.933 10.293 -9.066 1.00 3.43 C ATOM 1139 CZ TYR A 71 -8.221 10.714 -7.786 1.00 12.42 C ATOM 1140 OH TYR A 71 -8.462 12.053 -7.548 1.00 62.42 O ATOM 0 H TYR A 71 -5.326 7.432 -7.481 1.00 44.23 H new ATOM 0 HA TYR A 71 -7.327 5.486 -6.684 1.00 72.11 H new ATOM 0 HB2 TYR A 71 -6.785 6.470 -9.499 1.00 11.33 H new ATOM 0 HB3 TYR A 71 -8.311 5.998 -8.778 1.00 11.33 H new ATOM 0 HD1 TYR A 71 -8.044 7.771 -6.180 1.00 62.41 H new ATOM 0 HD2 TYR A 71 -7.437 8.648 -10.323 1.00 14.13 H new ATOM 0 HE1 TYR A 71 -8.485 10.148 -5.748 1.00 24.03 H new ATOM 0 HE2 TYR A 71 -7.913 11.007 -9.876 1.00 3.43 H new ATOM 0 HH TYR A 71 -8.395 12.552 -8.389 1.00 62.42 H new ATOM 1150 N GLU A 72 -4.780 4.688 -8.683 1.00 14.54 N ATOM 1151 CA GLU A 72 -3.918 3.589 -9.196 1.00 74.32 C ATOM 1152 C GLU A 72 -3.522 2.645 -8.047 1.00 11.11 C ATOM 1153 O GLU A 72 -3.719 1.428 -8.119 1.00 33.03 O ATOM 1154 CB GLU A 72 -2.628 4.183 -9.847 1.00 24.53 C ATOM 1155 CG GLU A 72 -1.567 3.139 -10.285 1.00 65.23 C ATOM 1156 CD GLU A 72 -0.187 3.765 -10.576 1.00 14.14 C ATOM 1157 OE1 GLU A 72 0.033 4.248 -11.705 1.00 3.14 O ATOM 1158 OE2 GLU A 72 0.676 3.789 -9.669 1.00 43.13 O ATOM 0 H GLU A 72 -4.420 5.616 -8.906 1.00 14.54 H new ATOM 0 HA GLU A 72 -4.477 3.028 -9.945 1.00 74.32 H new ATOM 0 HB2 GLU A 72 -2.918 4.770 -10.718 1.00 24.53 H new ATOM 0 HB3 GLU A 72 -2.167 4.871 -9.138 1.00 24.53 H new ATOM 0 HG2 GLU A 72 -1.461 2.387 -9.503 1.00 65.23 H new ATOM 0 HG3 GLU A 72 -1.921 2.623 -11.177 1.00 65.23 H new ATOM 1165 N LEU A 73 -2.967 3.264 -6.996 1.00 34.05 N ATOM 1166 CA LEU A 73 -2.519 2.601 -5.772 1.00 55.14 C ATOM 1167 C LEU A 73 -3.677 1.835 -5.123 1.00 32.11 C ATOM 1168 O LEU A 73 -3.540 0.651 -4.860 1.00 62.42 O ATOM 1169 CB LEU A 73 -1.922 3.647 -4.780 1.00 32.40 C ATOM 1170 CG LEU A 73 -1.449 3.101 -3.393 1.00 10.12 C ATOM 1171 CD1 LEU A 73 -0.426 1.952 -3.552 1.00 54.22 C ATOM 1172 CD2 LEU A 73 -0.887 4.243 -2.510 1.00 41.23 C ATOM 0 H LEU A 73 -2.814 4.272 -6.978 1.00 34.05 H new ATOM 0 HA LEU A 73 -1.739 1.884 -6.027 1.00 55.14 H new ATOM 0 HB2 LEU A 73 -1.073 4.131 -5.264 1.00 32.40 H new ATOM 0 HB3 LEU A 73 -2.672 4.419 -4.605 1.00 32.40 H new ATOM 0 HG LEU A 73 -2.320 2.686 -2.886 1.00 10.12 H new ATOM 0 HD11 LEU A 73 -0.120 1.598 -2.567 1.00 54.22 H new ATOM 0 HD12 LEU A 73 -0.883 1.132 -4.106 1.00 54.22 H new ATOM 0 HD13 LEU A 73 0.447 2.315 -4.094 1.00 54.22 H new ATOM 0 HD21 LEU A 73 -0.565 3.837 -1.551 1.00 41.23 H new ATOM 0 HD22 LEU A 73 -0.037 4.706 -3.012 1.00 41.23 H new ATOM 0 HD23 LEU A 73 -1.663 4.991 -2.345 1.00 41.23 H new ATOM 1184 N GLN A 74 -4.813 2.530 -4.900 1.00 11.24 N ATOM 1185 CA GLN A 74 -6.030 1.937 -4.284 1.00 30.04 C ATOM 1186 C GLN A 74 -6.516 0.671 -5.036 1.00 42.33 C ATOM 1187 O GLN A 74 -6.720 -0.391 -4.434 1.00 30.31 O ATOM 1188 CB GLN A 74 -7.167 2.988 -4.263 1.00 53.41 C ATOM 1189 CG GLN A 74 -8.544 2.438 -3.835 1.00 61.35 C ATOM 1190 CD GLN A 74 -9.676 3.456 -3.923 1.00 51.24 C ATOM 1191 OE1 GLN A 74 -9.643 4.379 -4.736 1.00 10.34 O ATOM 1192 NE2 GLN A 74 -10.698 3.281 -3.101 1.00 71.12 N ATOM 0 H GLN A 74 -4.917 3.516 -5.140 1.00 11.24 H new ATOM 0 HA GLN A 74 -5.767 1.638 -3.269 1.00 30.04 H new ATOM 0 HB2 GLN A 74 -6.886 3.794 -3.585 1.00 53.41 H new ATOM 0 HB3 GLN A 74 -7.258 3.425 -5.257 1.00 53.41 H new ATOM 0 HG2 GLN A 74 -8.791 1.581 -4.461 1.00 61.35 H new ATOM 0 HG3 GLN A 74 -8.475 2.075 -2.810 1.00 61.35 H new ATOM 0 HE21 GLN A 74 -10.693 2.505 -2.439 1.00 71.12 H new ATOM 0 HE22 GLN A 74 -11.491 3.922 -3.129 1.00 71.12 H new ATOM 1201 N GLU A 75 -6.697 0.817 -6.353 1.00 71.10 N ATOM 1202 CA GLU A 75 -7.260 -0.231 -7.227 1.00 15.53 C ATOM 1203 C GLU A 75 -6.273 -1.399 -7.394 1.00 24.54 C ATOM 1204 O GLU A 75 -6.692 -2.552 -7.545 1.00 72.50 O ATOM 1205 CB GLU A 75 -7.652 0.407 -8.589 1.00 53.05 C ATOM 1206 CG GLU A 75 -8.808 1.440 -8.482 1.00 61.42 C ATOM 1207 CD GLU A 75 -9.019 2.297 -9.751 1.00 50.30 C ATOM 1208 OE1 GLU A 75 -9.184 1.722 -10.847 1.00 70.52 O ATOM 1209 OE2 GLU A 75 -9.036 3.551 -9.658 1.00 3.14 O ATOM 0 H GLU A 75 -6.456 1.673 -6.852 1.00 71.10 H new ATOM 0 HA GLU A 75 -8.156 -0.651 -6.770 1.00 15.53 H new ATOM 0 HB2 GLU A 75 -6.777 0.896 -9.017 1.00 53.05 H new ATOM 0 HB3 GLU A 75 -7.945 -0.383 -9.280 1.00 53.05 H new ATOM 0 HG2 GLU A 75 -9.734 0.909 -8.259 1.00 61.42 H new ATOM 0 HG3 GLU A 75 -8.610 2.103 -7.640 1.00 61.42 H new ATOM 1216 N ASN A 76 -4.961 -1.094 -7.338 1.00 62.33 N ATOM 1217 CA ASN A 76 -3.905 -2.115 -7.333 1.00 54.34 C ATOM 1218 C ASN A 76 -3.908 -2.865 -5.982 1.00 3.03 C ATOM 1219 O ASN A 76 -3.774 -4.085 -5.958 1.00 24.34 O ATOM 1220 CB ASN A 76 -2.521 -1.474 -7.600 1.00 44.33 C ATOM 1221 CG ASN A 76 -1.364 -2.474 -7.537 1.00 70.24 C ATOM 1222 OD1 ASN A 76 -0.855 -2.710 -6.339 1.00 55.44 O flip ATOM 1223 ND2 ASN A 76 -0.950 -3.045 -8.546 1.00 33.12 N flip ATOM 0 H ASN A 76 -4.610 -0.137 -7.295 1.00 62.33 H new ATOM 0 HA ASN A 76 -4.103 -2.829 -8.133 1.00 54.34 H new ATOM 0 HB2 ASN A 76 -2.531 -1.003 -8.583 1.00 44.33 H new ATOM 0 HB3 ASN A 76 -2.348 -0.684 -6.870 1.00 44.33 H new ATOM 0 HD21 ASN A 76 -1.365 -2.840 -9.455 1.00 33.12 H new ATOM 0 HD22 ASN A 76 -0.192 -3.724 -8.473 1.00 33.12 H new ATOM 1230 N LEU A 77 -4.076 -2.109 -4.873 1.00 40.25 N ATOM 1231 CA LEU A 77 -4.134 -2.666 -3.500 1.00 43.10 C ATOM 1232 C LEU A 77 -5.272 -3.679 -3.410 1.00 11.33 C ATOM 1233 O LEU A 77 -5.086 -4.786 -2.923 1.00 55.25 O ATOM 1234 CB LEU A 77 -4.363 -1.552 -2.423 1.00 63.43 C ATOM 1235 CG LEU A 77 -3.150 -0.639 -2.053 1.00 44.01 C ATOM 1236 CD1 LEU A 77 -3.598 0.551 -1.160 1.00 42.33 C ATOM 1237 CD2 LEU A 77 -2.011 -1.455 -1.394 1.00 12.45 C ATOM 0 H LEU A 77 -4.175 -1.094 -4.904 1.00 40.25 H new ATOM 0 HA LEU A 77 -3.174 -3.142 -3.298 1.00 43.10 H new ATOM 0 HB2 LEU A 77 -5.172 -0.910 -2.771 1.00 63.43 H new ATOM 0 HB3 LEU A 77 -4.710 -2.035 -1.510 1.00 63.43 H new ATOM 0 HG LEU A 77 -2.752 -0.221 -2.977 1.00 44.01 H new ATOM 0 HD11 LEU A 77 -2.734 1.170 -0.918 1.00 42.33 H new ATOM 0 HD12 LEU A 77 -4.335 1.150 -1.695 1.00 42.33 H new ATOM 0 HD13 LEU A 77 -4.040 0.169 -0.240 1.00 42.33 H new ATOM 0 HD21 LEU A 77 -1.182 -0.791 -1.149 1.00 12.45 H new ATOM 0 HD22 LEU A 77 -2.381 -1.926 -0.483 1.00 12.45 H new ATOM 0 HD23 LEU A 77 -1.667 -2.224 -2.086 1.00 12.45 H new ATOM 1249 N GLU A 78 -6.448 -3.275 -3.917 1.00 25.35 N ATOM 1250 CA GLU A 78 -7.667 -4.084 -3.846 1.00 2.24 C ATOM 1251 C GLU A 78 -7.689 -5.190 -4.921 1.00 71.24 C ATOM 1252 O GLU A 78 -8.365 -6.197 -4.739 1.00 3.02 O ATOM 1253 CB GLU A 78 -8.923 -3.173 -3.844 1.00 54.13 C ATOM 1254 CG GLU A 78 -9.005 -2.305 -2.562 1.00 31.33 C ATOM 1255 CD GLU A 78 -10.250 -1.403 -2.470 1.00 62.01 C ATOM 1256 OE1 GLU A 78 -10.324 -0.402 -3.211 1.00 32.12 O ATOM 1257 OE2 GLU A 78 -11.161 -1.696 -1.657 1.00 22.25 O ATOM 0 H GLU A 78 -6.576 -2.379 -4.386 1.00 25.35 H new ATOM 0 HA GLU A 78 -7.678 -4.622 -2.898 1.00 2.24 H new ATOM 0 HB2 GLU A 78 -8.903 -2.525 -4.720 1.00 54.13 H new ATOM 0 HB3 GLU A 78 -9.819 -3.789 -3.923 1.00 54.13 H new ATOM 0 HG2 GLU A 78 -8.986 -2.963 -1.693 1.00 31.33 H new ATOM 0 HG3 GLU A 78 -8.115 -1.678 -2.507 1.00 31.33 H new ATOM 1264 N LYS A 79 -6.907 -5.023 -6.010 1.00 41.45 N ATOM 1265 CA LYS A 79 -6.565 -6.141 -6.931 1.00 55.22 C ATOM 1266 C LYS A 79 -5.819 -7.242 -6.150 1.00 13.53 C ATOM 1267 O LYS A 79 -6.208 -8.414 -6.188 1.00 24.21 O ATOM 1268 CB LYS A 79 -5.692 -5.621 -8.117 1.00 32.21 C ATOM 1269 CG LYS A 79 -5.002 -6.690 -9.036 1.00 31.21 C ATOM 1270 CD LYS A 79 -5.908 -7.338 -10.137 1.00 20.45 C ATOM 1271 CE LYS A 79 -6.888 -8.410 -9.620 1.00 63.43 C ATOM 1272 NZ LYS A 79 -6.197 -9.529 -8.921 1.00 65.21 N ATOM 0 H LYS A 79 -6.499 -4.127 -6.277 1.00 41.45 H new ATOM 0 HA LYS A 79 -7.483 -6.559 -7.344 1.00 55.22 H new ATOM 0 HB2 LYS A 79 -6.322 -4.993 -8.747 1.00 32.21 H new ATOM 0 HB3 LYS A 79 -4.913 -4.980 -7.705 1.00 32.21 H new ATOM 0 HG2 LYS A 79 -4.148 -6.222 -9.526 1.00 31.21 H new ATOM 0 HG3 LYS A 79 -4.609 -7.485 -8.402 1.00 31.21 H new ATOM 0 HD2 LYS A 79 -6.479 -6.550 -10.627 1.00 20.45 H new ATOM 0 HD3 LYS A 79 -5.268 -7.787 -10.896 1.00 20.45 H new ATOM 0 HE2 LYS A 79 -7.601 -7.946 -8.939 1.00 63.43 H new ATOM 0 HE3 LYS A 79 -7.460 -8.808 -10.458 1.00 63.43 H new ATOM 0 HZ1 LYS A 79 -6.754 -10.401 -9.026 1.00 65.21 H new ATOM 0 HZ2 LYS A 79 -5.254 -9.668 -9.337 1.00 65.21 H new ATOM 0 HZ3 LYS A 79 -6.100 -9.300 -7.911 1.00 65.21 H new ATOM 1286 N LEU A 80 -4.776 -6.823 -5.412 1.00 42.34 N ATOM 1287 CA LEU A 80 -3.927 -7.721 -4.602 1.00 11.11 C ATOM 1288 C LEU A 80 -4.708 -8.264 -3.385 1.00 75.01 C ATOM 1289 O LEU A 80 -4.448 -9.373 -2.902 1.00 24.24 O ATOM 1290 CB LEU A 80 -2.646 -6.966 -4.168 1.00 23.22 C ATOM 1291 CG LEU A 80 -1.752 -6.411 -5.330 1.00 32.14 C ATOM 1292 CD1 LEU A 80 -0.530 -5.642 -4.779 1.00 1.42 C ATOM 1293 CD2 LEU A 80 -1.337 -7.528 -6.324 1.00 75.22 C ATOM 0 H LEU A 80 -4.495 -5.844 -5.359 1.00 42.34 H new ATOM 0 HA LEU A 80 -3.634 -8.581 -5.204 1.00 11.11 H new ATOM 0 HB2 LEU A 80 -2.938 -6.132 -3.530 1.00 23.22 H new ATOM 0 HB3 LEU A 80 -2.041 -7.637 -3.559 1.00 23.22 H new ATOM 0 HG LEU A 80 -2.354 -5.699 -5.895 1.00 32.14 H new ATOM 0 HD11 LEU A 80 0.070 -5.270 -5.609 1.00 1.42 H new ATOM 0 HD12 LEU A 80 -0.871 -4.803 -4.173 1.00 1.42 H new ATOM 0 HD13 LEU A 80 0.074 -6.310 -4.166 1.00 1.42 H new ATOM 0 HD21 LEU A 80 -0.719 -7.101 -7.114 1.00 75.22 H new ATOM 0 HD22 LEU A 80 -0.771 -8.295 -5.794 1.00 75.22 H new ATOM 0 HD23 LEU A 80 -2.229 -7.974 -6.763 1.00 75.22 H new ATOM 1305 N LEU A 81 -5.690 -7.471 -2.926 1.00 30.51 N ATOM 1306 CA LEU A 81 -6.644 -7.877 -1.881 1.00 21.43 C ATOM 1307 C LEU A 81 -7.482 -9.038 -2.402 1.00 70.34 C ATOM 1308 O LEU A 81 -7.724 -10.015 -1.691 1.00 41.34 O ATOM 1309 CB LEU A 81 -7.581 -6.704 -1.511 1.00 32.31 C ATOM 1310 CG LEU A 81 -8.607 -6.970 -0.376 1.00 4.54 C ATOM 1311 CD1 LEU A 81 -7.917 -7.085 0.992 1.00 32.31 C ATOM 1312 CD2 LEU A 81 -9.735 -5.915 -0.378 1.00 75.52 C ATOM 0 H LEU A 81 -5.845 -6.524 -3.272 1.00 30.51 H new ATOM 0 HA LEU A 81 -6.088 -8.175 -0.992 1.00 21.43 H new ATOM 0 HB2 LEU A 81 -6.965 -5.853 -1.221 1.00 32.31 H new ATOM 0 HB3 LEU A 81 -8.130 -6.410 -2.406 1.00 32.31 H new ATOM 0 HG LEU A 81 -9.076 -7.934 -0.572 1.00 4.54 H new ATOM 0 HD11 LEU A 81 -8.665 -7.271 1.762 1.00 32.31 H new ATOM 0 HD12 LEU A 81 -7.204 -7.909 0.972 1.00 32.31 H new ATOM 0 HD13 LEU A 81 -7.391 -6.156 1.214 1.00 32.31 H new ATOM 0 HD21 LEU A 81 -10.436 -6.130 0.428 1.00 75.52 H new ATOM 0 HD22 LEU A 81 -9.306 -4.924 -0.231 1.00 75.52 H new ATOM 0 HD23 LEU A 81 -10.260 -5.945 -1.333 1.00 75.52 H new ATOM 1324 N GLN A 82 -7.916 -8.905 -3.670 1.00 3.34 N ATOM 1325 CA GLN A 82 -8.679 -9.949 -4.349 1.00 75.24 C ATOM 1326 C GLN A 82 -7.796 -11.152 -4.701 1.00 22.34 C ATOM 1327 O GLN A 82 -8.316 -12.237 -4.782 1.00 25.30 O ATOM 1328 CB GLN A 82 -9.420 -9.410 -5.606 1.00 13.43 C ATOM 1329 CG GLN A 82 -10.507 -8.337 -5.328 1.00 33.24 C ATOM 1330 CD GLN A 82 -11.378 -8.621 -4.096 1.00 23.43 C ATOM 1331 OE1 GLN A 82 -12.421 -9.272 -4.187 1.00 33.22 O ATOM 1332 NE2 GLN A 82 -10.950 -8.130 -2.934 1.00 72.13 N ATOM 0 H GLN A 82 -7.746 -8.077 -4.240 1.00 3.34 H new ATOM 0 HA GLN A 82 -9.441 -10.288 -3.647 1.00 75.24 H new ATOM 0 HB2 GLN A 82 -8.683 -8.988 -6.289 1.00 13.43 H new ATOM 0 HB3 GLN A 82 -9.886 -10.250 -6.121 1.00 13.43 H new ATOM 0 HG2 GLN A 82 -10.021 -7.370 -5.199 1.00 33.24 H new ATOM 0 HG3 GLN A 82 -11.152 -8.256 -6.203 1.00 33.24 H new ATOM 0 HE21 GLN A 82 -10.082 -7.596 -2.895 1.00 72.13 H new ATOM 0 HE22 GLN A 82 -11.490 -8.288 -2.083 1.00 72.13 H new ATOM 1341 N ASP A 83 -6.472 -10.965 -4.907 1.00 34.42 N ATOM 1342 CA ASP A 83 -5.538 -12.117 -5.091 1.00 13.41 C ATOM 1343 C ASP A 83 -5.383 -12.904 -3.774 1.00 63.10 C ATOM 1344 O ASP A 83 -5.214 -14.131 -3.782 1.00 43.23 O ATOM 1345 CB ASP A 83 -4.154 -11.651 -5.612 1.00 13.13 C ATOM 1346 CG ASP A 83 -4.205 -11.049 -7.027 1.00 72.11 C ATOM 1347 OD1 ASP A 83 -4.600 -11.764 -7.980 1.00 0.33 O ATOM 1348 OD2 ASP A 83 -3.867 -9.860 -7.201 1.00 44.23 O ATOM 0 H ASP A 83 -6.026 -10.049 -4.951 1.00 34.42 H new ATOM 0 HA ASP A 83 -5.970 -12.776 -5.844 1.00 13.41 H new ATOM 0 HB2 ASP A 83 -3.746 -10.910 -4.924 1.00 13.13 H new ATOM 0 HB3 ASP A 83 -3.469 -12.499 -5.610 1.00 13.13 H new ATOM 1353 N ALA A 84 -5.424 -12.176 -2.645 1.00 61.24 N ATOM 1354 CA ALA A 84 -5.460 -12.780 -1.303 1.00 51.11 C ATOM 1355 C ALA A 84 -6.826 -13.452 -1.035 1.00 33.24 C ATOM 1356 O ALA A 84 -6.892 -14.515 -0.426 1.00 74.24 O ATOM 1357 CB ALA A 84 -5.143 -11.722 -0.239 1.00 65.20 C ATOM 0 H ALA A 84 -5.433 -11.156 -2.637 1.00 61.24 H new ATOM 0 HA ALA A 84 -4.698 -13.557 -1.251 1.00 51.11 H new ATOM 0 HB1 ALA A 84 -5.172 -12.180 0.750 1.00 65.20 H new ATOM 0 HB2 ALA A 84 -4.150 -11.311 -0.419 1.00 65.20 H new ATOM 0 HB3 ALA A 84 -5.881 -10.922 -0.290 1.00 65.20 H new ATOM 1363 N TYR A 85 -7.915 -12.833 -1.517 1.00 51.42 N ATOM 1364 CA TYR A 85 -9.292 -13.340 -1.316 1.00 55.10 C ATOM 1365 C TYR A 85 -9.646 -14.458 -2.329 1.00 12.24 C ATOM 1366 O TYR A 85 -10.584 -15.235 -2.101 1.00 71.25 O ATOM 1367 CB TYR A 85 -10.316 -12.160 -1.398 1.00 25.24 C ATOM 1368 CG TYR A 85 -10.341 -11.192 -0.184 1.00 65.13 C ATOM 1369 CD1 TYR A 85 -9.568 -11.417 0.966 1.00 52.00 C ATOM 1370 CD2 TYR A 85 -11.176 -10.062 -0.180 1.00 21.14 C ATOM 1371 CE1 TYR A 85 -9.634 -10.566 2.055 1.00 2.23 C ATOM 1372 CE2 TYR A 85 -11.230 -9.211 0.911 1.00 32.31 C ATOM 1373 CZ TYR A 85 -10.463 -9.471 2.019 1.00 12.22 C ATOM 1374 OH TYR A 85 -10.538 -8.634 3.107 1.00 54.42 O ATOM 0 H TYR A 85 -7.872 -11.968 -2.057 1.00 51.42 H new ATOM 0 HA TYR A 85 -9.347 -13.783 -0.322 1.00 55.10 H new ATOM 0 HB2 TYR A 85 -10.100 -11.580 -2.295 1.00 25.24 H new ATOM 0 HB3 TYR A 85 -11.314 -12.580 -1.523 1.00 25.24 H new ATOM 0 HD1 TYR A 85 -8.909 -12.272 1.001 1.00 52.00 H new ATOM 0 HD2 TYR A 85 -11.788 -9.853 -1.045 1.00 21.14 H new ATOM 0 HE1 TYR A 85 -9.035 -10.762 2.932 1.00 2.23 H new ATOM 0 HE2 TYR A 85 -11.874 -8.345 0.890 1.00 32.31 H new ATOM 0 HH TYR A 85 -9.680 -8.634 3.580 1.00 54.42 H new ATOM 1384 N GLU A 86 -8.879 -14.544 -3.436 1.00 74.34 N ATOM 1385 CA GLU A 86 -9.103 -15.541 -4.506 1.00 24.50 C ATOM 1386 C GLU A 86 -8.065 -16.663 -4.341 1.00 61.51 C ATOM 1387 O GLU A 86 -6.864 -16.412 -4.502 1.00 20.55 O ATOM 1388 CB GLU A 86 -8.997 -14.878 -5.936 1.00 31.13 C ATOM 1389 CG GLU A 86 -9.901 -15.483 -7.038 1.00 35.25 C ATOM 1390 CD GLU A 86 -9.663 -16.982 -7.281 1.00 2.33 C ATOM 1391 OE1 GLU A 86 -8.759 -17.334 -8.067 1.00 22.22 O ATOM 1392 OE2 GLU A 86 -10.387 -17.816 -6.685 1.00 62.14 O ATOM 0 H GLU A 86 -8.088 -13.925 -3.614 1.00 74.34 H new ATOM 0 HA GLU A 86 -10.110 -15.951 -4.422 1.00 24.50 H new ATOM 0 HB2 GLU A 86 -9.235 -13.819 -5.841 1.00 31.13 H new ATOM 0 HB3 GLU A 86 -7.961 -14.944 -6.268 1.00 31.13 H new ATOM 0 HG2 GLU A 86 -10.945 -15.330 -6.763 1.00 35.25 H new ATOM 0 HG3 GLU A 86 -9.734 -14.942 -7.970 1.00 35.25 H new ATOM 1399 N ARG A 87 -8.554 -17.875 -3.987 1.00 14.10 N ATOM 1400 CA ARG A 87 -7.754 -19.120 -3.851 1.00 2.24 C ATOM 1401 C ARG A 87 -6.924 -19.165 -2.537 1.00 45.30 C ATOM 1402 O ARG A 87 -6.922 -20.194 -1.847 1.00 64.22 O ATOM 1403 CB ARG A 87 -6.860 -19.386 -5.103 1.00 31.41 C ATOM 1404 CG ARG A 87 -6.054 -20.701 -5.048 1.00 71.35 C ATOM 1405 CD ARG A 87 -5.254 -20.967 -6.333 1.00 51.25 C ATOM 1406 NE ARG A 87 -4.636 -22.305 -6.323 1.00 74.22 N ATOM 1407 CZ ARG A 87 -4.019 -22.885 -7.360 1.00 55.51 C ATOM 1408 NH1 ARG A 87 -3.901 -22.262 -8.529 1.00 24.42 N ATOM 1409 NH2 ARG A 87 -3.528 -24.104 -7.210 1.00 35.41 N ATOM 0 H ARG A 87 -9.543 -18.020 -3.782 1.00 14.10 H new ATOM 0 HA ARG A 87 -8.477 -19.933 -3.789 1.00 2.24 H new ATOM 0 HB2 ARG A 87 -7.494 -19.400 -5.990 1.00 31.41 H new ATOM 0 HB3 ARG A 87 -6.166 -18.554 -5.221 1.00 31.41 H new ATOM 0 HG2 ARG A 87 -5.369 -20.666 -4.201 1.00 71.35 H new ATOM 0 HG3 ARG A 87 -6.737 -21.532 -4.872 1.00 71.35 H new ATOM 0 HD2 ARG A 87 -5.912 -20.877 -7.197 1.00 51.25 H new ATOM 0 HD3 ARG A 87 -4.479 -20.209 -6.443 1.00 51.25 H new ATOM 0 HE ARG A 87 -4.682 -22.834 -5.452 1.00 74.22 H new ATOM 0 HH11 ARG A 87 -4.284 -21.324 -8.648 1.00 24.42 H new ATOM 0 HH12 ARG A 87 -3.427 -22.722 -9.306 1.00 24.42 H new ATOM 0 HH21 ARG A 87 -3.623 -24.586 -6.316 1.00 35.41 H new ATOM 0 HH22 ARG A 87 -3.055 -24.562 -7.988 1.00 35.41 H new ATOM 1423 N SER A 88 -6.222 -18.067 -2.202 1.00 70.31 N ATOM 1424 CA SER A 88 -5.365 -17.978 -1.004 1.00 51.45 C ATOM 1425 C SER A 88 -6.215 -18.035 0.294 1.00 25.52 C ATOM 1426 O SER A 88 -6.807 -17.040 0.708 1.00 22.24 O ATOM 1427 CB SER A 88 -4.529 -16.678 -1.077 1.00 43.21 C ATOM 1428 OG SER A 88 -3.857 -16.567 -2.326 1.00 42.13 O ATOM 0 H SER A 88 -6.233 -17.212 -2.757 1.00 70.31 H new ATOM 0 HA SER A 88 -4.689 -18.833 -0.978 1.00 51.45 H new ATOM 0 HB2 SER A 88 -5.180 -15.816 -0.934 1.00 43.21 H new ATOM 0 HB3 SER A 88 -3.800 -16.665 -0.267 1.00 43.21 H new ATOM 0 HG SER A 88 -4.214 -15.801 -2.823 1.00 42.13 H new ATOM 1434 N GLU A 89 -6.301 -19.236 0.889 1.00 14.44 N ATOM 1435 CA GLU A 89 -7.116 -19.511 2.102 1.00 0.44 C ATOM 1436 C GLU A 89 -6.373 -19.092 3.391 1.00 34.01 C ATOM 1437 O GLU A 89 -6.992 -18.768 4.412 1.00 11.23 O ATOM 1438 CB GLU A 89 -7.401 -21.037 2.160 1.00 43.25 C ATOM 1439 CG GLU A 89 -8.075 -21.628 0.899 1.00 34.42 C ATOM 1440 CD GLU A 89 -7.744 -23.120 0.701 1.00 54.21 C ATOM 1441 OE1 GLU A 89 -8.476 -23.984 1.222 1.00 2.34 O ATOM 1442 OE2 GLU A 89 -6.715 -23.427 0.054 1.00 14.54 O ATOM 0 H GLU A 89 -5.804 -20.057 0.544 1.00 14.44 H new ATOM 0 HA GLU A 89 -8.040 -18.936 2.041 1.00 0.44 H new ATOM 0 HB2 GLU A 89 -6.460 -21.560 2.329 1.00 43.25 H new ATOM 0 HB3 GLU A 89 -8.037 -21.239 3.022 1.00 43.25 H new ATOM 0 HG2 GLU A 89 -9.155 -21.505 0.976 1.00 34.42 H new ATOM 0 HG3 GLU A 89 -7.753 -21.067 0.021 1.00 34.42 H new ATOM 1449 N SER A 90 -5.040 -19.101 3.297 1.00 0.03 N ATOM 1450 CA SER A 90 -4.116 -19.064 4.442 1.00 74.11 C ATOM 1451 C SER A 90 -4.055 -17.697 5.183 1.00 12.30 C ATOM 1452 O SER A 90 -4.745 -16.736 4.828 1.00 41.20 O ATOM 1453 CB SER A 90 -2.731 -19.532 3.931 1.00 2.54 C ATOM 1454 OG SER A 90 -2.475 -19.042 2.622 1.00 73.01 O ATOM 0 H SER A 90 -4.557 -19.135 2.399 1.00 0.03 H new ATOM 0 HA SER A 90 -4.489 -19.737 5.214 1.00 74.11 H new ATOM 0 HB2 SER A 90 -1.953 -19.185 4.611 1.00 2.54 H new ATOM 0 HB3 SER A 90 -2.690 -20.621 3.929 1.00 2.54 H new ATOM 0 HG SER A 90 -1.677 -18.474 2.636 1.00 73.01 H new ATOM 1460 N LEU A 91 -3.183 -17.646 6.215 1.00 25.31 N ATOM 1461 CA LEU A 91 -3.166 -16.596 7.264 1.00 3.12 C ATOM 1462 C LEU A 91 -2.698 -15.219 6.724 1.00 14.02 C ATOM 1463 O LEU A 91 -3.088 -14.171 7.263 1.00 25.41 O ATOM 1464 CB LEU A 91 -2.267 -17.108 8.446 1.00 64.15 C ATOM 1465 CG LEU A 91 -2.368 -16.363 9.834 1.00 54.44 C ATOM 1466 CD1 LEU A 91 -1.978 -17.302 11.005 1.00 61.32 C ATOM 1467 CD2 LEU A 91 -1.515 -15.068 9.884 1.00 54.20 C ATOM 0 H LEU A 91 -2.455 -18.348 6.347 1.00 25.31 H new ATOM 0 HA LEU A 91 -4.182 -16.424 7.620 1.00 3.12 H new ATOM 0 HB2 LEU A 91 -2.503 -18.159 8.614 1.00 64.15 H new ATOM 0 HB3 LEU A 91 -1.228 -17.063 8.118 1.00 64.15 H new ATOM 0 HG LEU A 91 -3.412 -16.070 9.945 1.00 54.44 H new ATOM 0 HD11 LEU A 91 -2.057 -16.760 11.948 1.00 61.32 H new ATOM 0 HD12 LEU A 91 -2.649 -18.160 11.022 1.00 61.32 H new ATOM 0 HD13 LEU A 91 -0.953 -17.646 10.869 1.00 61.32 H new ATOM 0 HD21 LEU A 91 -1.623 -14.598 10.862 1.00 54.20 H new ATOM 0 HD22 LEU A 91 -0.467 -15.316 9.715 1.00 54.20 H new ATOM 0 HD23 LEU A 91 -1.854 -14.379 9.111 1.00 54.20 H new ATOM 1479 N GLU A 92 -1.932 -15.237 5.620 1.00 54.04 N ATOM 1480 CA GLU A 92 -1.248 -14.036 5.069 1.00 62.42 C ATOM 1481 C GLU A 92 -2.263 -12.997 4.559 1.00 1.24 C ATOM 1482 O GLU A 92 -1.926 -11.818 4.417 1.00 62.33 O ATOM 1483 CB GLU A 92 -0.261 -14.400 3.913 1.00 40.01 C ATOM 1484 CG GLU A 92 0.780 -15.500 4.216 1.00 33.32 C ATOM 1485 CD GLU A 92 0.165 -16.905 4.265 1.00 1.03 C ATOM 1486 OE1 GLU A 92 -0.143 -17.452 3.202 1.00 54.52 O ATOM 1487 OE2 GLU A 92 -0.042 -17.449 5.367 1.00 32.11 O ATOM 0 H GLU A 92 -1.764 -16.084 5.077 1.00 54.04 H new ATOM 0 HA GLU A 92 -0.676 -13.607 5.892 1.00 62.42 H new ATOM 0 HB2 GLU A 92 -0.848 -14.714 3.050 1.00 40.01 H new ATOM 0 HB3 GLU A 92 0.273 -13.495 3.623 1.00 40.01 H new ATOM 0 HG2 GLU A 92 1.559 -15.476 3.454 1.00 33.32 H new ATOM 0 HG3 GLU A 92 1.261 -15.286 5.170 1.00 33.32 H new ATOM 1494 N VAL A 93 -3.510 -13.449 4.306 1.00 3.30 N ATOM 1495 CA VAL A 93 -4.605 -12.587 3.829 1.00 61.32 C ATOM 1496 C VAL A 93 -4.973 -11.512 4.872 1.00 41.44 C ATOM 1497 O VAL A 93 -5.510 -10.483 4.509 1.00 23.51 O ATOM 1498 CB VAL A 93 -5.877 -13.428 3.433 1.00 3.31 C ATOM 1499 CG1 VAL A 93 -5.492 -14.544 2.431 1.00 11.40 C ATOM 1500 CG2 VAL A 93 -6.616 -13.999 4.676 1.00 11.24 C ATOM 0 H VAL A 93 -3.783 -14.424 4.428 1.00 3.30 H new ATOM 0 HA VAL A 93 -4.243 -12.082 2.933 1.00 61.32 H new ATOM 0 HB VAL A 93 -6.581 -12.756 2.943 1.00 3.31 H new ATOM 0 HG11 VAL A 93 -6.380 -15.117 2.166 1.00 11.40 H new ATOM 0 HG12 VAL A 93 -5.068 -14.096 1.532 1.00 11.40 H new ATOM 0 HG13 VAL A 93 -4.756 -15.206 2.888 1.00 11.40 H new ATOM 0 HG21 VAL A 93 -7.485 -14.571 4.352 1.00 11.24 H new ATOM 0 HG22 VAL A 93 -5.942 -14.649 5.233 1.00 11.24 H new ATOM 0 HG23 VAL A 93 -6.940 -13.178 5.316 1.00 11.24 H new ATOM 1510 N ALA A 94 -4.676 -11.782 6.162 1.00 50.00 N ATOM 1511 CA ALA A 94 -4.858 -10.805 7.263 1.00 1.34 C ATOM 1512 C ALA A 94 -3.902 -9.617 7.092 1.00 3.22 C ATOM 1513 O ALA A 94 -4.306 -8.456 7.218 1.00 11.13 O ATOM 1514 CB ALA A 94 -4.625 -11.476 8.626 1.00 64.12 C ATOM 0 H ALA A 94 -4.304 -12.680 6.471 1.00 50.00 H new ATOM 0 HA ALA A 94 -5.884 -10.438 7.225 1.00 1.34 H new ATOM 0 HB1 ALA A 94 -4.763 -10.743 9.421 1.00 64.12 H new ATOM 0 HB2 ALA A 94 -5.337 -12.291 8.757 1.00 64.12 H new ATOM 0 HB3 ALA A 94 -3.610 -11.870 8.669 1.00 64.12 H new ATOM 1520 N PHE A 95 -2.631 -9.939 6.795 1.00 53.34 N ATOM 1521 CA PHE A 95 -1.563 -8.942 6.577 1.00 34.22 C ATOM 1522 C PHE A 95 -1.836 -8.130 5.290 1.00 42.14 C ATOM 1523 O PHE A 95 -1.588 -6.922 5.254 1.00 60.43 O ATOM 1524 CB PHE A 95 -0.181 -9.660 6.537 1.00 30.23 C ATOM 1525 CG PHE A 95 1.030 -8.767 6.219 1.00 40.34 C ATOM 1526 CD1 PHE A 95 1.593 -7.923 7.181 1.00 52.55 C ATOM 1527 CD2 PHE A 95 1.599 -8.775 4.947 1.00 1.01 C ATOM 1528 CE1 PHE A 95 2.677 -7.113 6.868 1.00 44.22 C ATOM 1529 CE2 PHE A 95 2.681 -7.977 4.639 1.00 45.15 C ATOM 1530 CZ PHE A 95 3.221 -7.143 5.593 1.00 33.33 C ATOM 0 H PHE A 95 -2.312 -10.903 6.698 1.00 53.34 H new ATOM 0 HA PHE A 95 -1.548 -8.232 7.404 1.00 34.22 H new ATOM 0 HB2 PHE A 95 -0.013 -10.137 7.503 1.00 30.23 H new ATOM 0 HB3 PHE A 95 -0.227 -10.455 5.793 1.00 30.23 H new ATOM 0 HD1 PHE A 95 1.180 -7.901 8.179 1.00 52.55 H new ATOM 0 HD2 PHE A 95 1.184 -9.420 4.186 1.00 1.01 H new ATOM 0 HE1 PHE A 95 3.097 -6.459 7.618 1.00 44.22 H new ATOM 0 HE2 PHE A 95 3.106 -8.006 3.647 1.00 45.15 H new ATOM 0 HZ PHE A 95 4.065 -6.515 5.349 1.00 33.33 H new ATOM 1540 N VAL A 96 -2.375 -8.801 4.250 1.00 41.13 N ATOM 1541 CA VAL A 96 -2.756 -8.146 2.980 1.00 34.41 C ATOM 1542 C VAL A 96 -3.951 -7.211 3.202 1.00 1.31 C ATOM 1543 O VAL A 96 -3.890 -6.052 2.820 1.00 35.30 O ATOM 1544 CB VAL A 96 -3.088 -9.179 1.842 1.00 55.53 C ATOM 1545 CG1 VAL A 96 -3.547 -8.460 0.542 1.00 4.51 C ATOM 1546 CG2 VAL A 96 -1.879 -10.102 1.575 1.00 53.00 C ATOM 0 H VAL A 96 -2.557 -9.804 4.266 1.00 41.13 H new ATOM 0 HA VAL A 96 -1.892 -7.568 2.650 1.00 34.41 H new ATOM 0 HB VAL A 96 -3.918 -9.799 2.181 1.00 55.53 H new ATOM 0 HG11 VAL A 96 -3.769 -9.202 -0.225 1.00 4.51 H new ATOM 0 HG12 VAL A 96 -4.442 -7.872 0.748 1.00 4.51 H new ATOM 0 HG13 VAL A 96 -2.753 -7.801 0.191 1.00 4.51 H new ATOM 0 HG21 VAL A 96 -2.129 -10.809 0.784 1.00 53.00 H new ATOM 0 HG22 VAL A 96 -1.023 -9.501 1.267 1.00 53.00 H new ATOM 0 HG23 VAL A 96 -1.630 -10.648 2.485 1.00 53.00 H new ATOM 1556 N THR A 97 -5.018 -7.737 3.848 1.00 30.21 N ATOM 1557 CA THR A 97 -6.238 -6.964 4.184 1.00 4.50 C ATOM 1558 C THR A 97 -5.873 -5.721 4.996 1.00 53.32 C ATOM 1559 O THR A 97 -6.400 -4.621 4.749 1.00 34.12 O ATOM 1560 CB THR A 97 -7.273 -7.844 4.972 1.00 62.41 C ATOM 1561 OG1 THR A 97 -7.691 -8.947 4.155 1.00 12.12 O ATOM 1562 CG2 THR A 97 -8.522 -7.064 5.425 1.00 44.44 C ATOM 0 H THR A 97 -5.058 -8.710 4.151 1.00 30.21 H new ATOM 0 HA THR A 97 -6.705 -6.653 3.249 1.00 4.50 H new ATOM 0 HB THR A 97 -6.761 -8.188 5.870 1.00 62.41 H new ATOM 0 HG1 THR A 97 -6.996 -9.638 4.158 1.00 12.12 H new ATOM 0 HG21 THR A 97 -9.194 -7.733 5.963 1.00 44.44 H new ATOM 0 HG22 THR A 97 -8.222 -6.246 6.081 1.00 44.44 H new ATOM 0 HG23 THR A 97 -9.035 -6.660 4.552 1.00 44.44 H new ATOM 1570 N GLN A 98 -4.915 -5.911 5.925 1.00 71.25 N ATOM 1571 CA GLN A 98 -4.382 -4.837 6.757 1.00 32.31 C ATOM 1572 C GLN A 98 -3.717 -3.762 5.888 1.00 43.24 C ATOM 1573 O GLN A 98 -4.132 -2.631 5.931 1.00 54.12 O ATOM 1574 CB GLN A 98 -3.373 -5.384 7.798 1.00 25.12 C ATOM 1575 CG GLN A 98 -2.923 -4.344 8.838 1.00 52.10 C ATOM 1576 CD GLN A 98 -1.992 -4.897 9.921 1.00 71.11 C ATOM 1577 OE1 GLN A 98 -1.193 -5.806 9.683 1.00 33.04 O ATOM 1578 NE2 GLN A 98 -2.122 -4.378 11.135 1.00 42.21 N ATOM 0 H GLN A 98 -4.494 -6.821 6.113 1.00 71.25 H new ATOM 0 HA GLN A 98 -5.216 -4.387 7.296 1.00 32.31 H new ATOM 0 HB2 GLN A 98 -3.824 -6.230 8.317 1.00 25.12 H new ATOM 0 HB3 GLN A 98 -2.495 -5.763 7.274 1.00 25.12 H new ATOM 0 HG2 GLN A 98 -2.417 -3.528 8.323 1.00 52.10 H new ATOM 0 HG3 GLN A 98 -3.806 -3.920 9.316 1.00 52.10 H new ATOM 0 HE21 GLN A 98 -2.792 -3.627 11.299 1.00 42.21 H new ATOM 0 HE22 GLN A 98 -1.552 -4.730 11.904 1.00 42.21 H new ATOM 1587 N LEU A 99 -2.735 -4.161 5.066 1.00 63.31 N ATOM 1588 CA LEU A 99 -1.931 -3.234 4.213 1.00 41.43 C ATOM 1589 C LEU A 99 -2.788 -2.456 3.200 1.00 5.43 C ATOM 1590 O LEU A 99 -2.531 -1.274 2.936 1.00 14.14 O ATOM 1591 CB LEU A 99 -0.806 -4.027 3.482 1.00 65.23 C ATOM 1592 CG LEU A 99 0.578 -4.092 4.201 1.00 14.02 C ATOM 1593 CD1 LEU A 99 0.455 -4.490 5.693 1.00 2.24 C ATOM 1594 CD2 LEU A 99 1.543 -5.015 3.427 1.00 44.44 C ATOM 0 H LEU A 99 -2.464 -5.139 4.964 1.00 63.31 H new ATOM 0 HA LEU A 99 -1.487 -2.492 4.876 1.00 41.43 H new ATOM 0 HB2 LEU A 99 -1.156 -5.047 3.322 1.00 65.23 H new ATOM 0 HB3 LEU A 99 -0.659 -3.582 2.498 1.00 65.23 H new ATOM 0 HG LEU A 99 0.999 -3.087 4.200 1.00 14.02 H new ATOM 0 HD11 LEU A 99 1.447 -4.520 6.144 1.00 2.24 H new ATOM 0 HD12 LEU A 99 -0.160 -3.757 6.216 1.00 2.24 H new ATOM 0 HD13 LEU A 99 -0.009 -5.473 5.770 1.00 2.24 H new ATOM 0 HD21 LEU A 99 2.504 -5.050 3.941 1.00 44.44 H new ATOM 0 HD22 LEU A 99 1.123 -6.019 3.375 1.00 44.44 H new ATOM 0 HD23 LEU A 99 1.685 -4.628 2.418 1.00 44.44 H new ATOM 1606 N VAL A 100 -3.785 -3.144 2.636 1.00 22.54 N ATOM 1607 CA VAL A 100 -4.761 -2.544 1.720 1.00 51.53 C ATOM 1608 C VAL A 100 -5.535 -1.452 2.462 1.00 14.24 C ATOM 1609 O VAL A 100 -5.567 -0.300 2.027 1.00 0.25 O ATOM 1610 CB VAL A 100 -5.743 -3.640 1.159 1.00 41.24 C ATOM 1611 CG1 VAL A 100 -6.968 -3.025 0.427 1.00 54.34 C ATOM 1612 CG2 VAL A 100 -4.979 -4.633 0.250 1.00 32.31 C ATOM 0 H VAL A 100 -3.939 -4.138 2.803 1.00 22.54 H new ATOM 0 HA VAL A 100 -4.238 -2.103 0.871 1.00 51.53 H new ATOM 0 HB VAL A 100 -6.143 -4.187 2.013 1.00 41.24 H new ATOM 0 HG11 VAL A 100 -7.612 -3.824 0.060 1.00 54.34 H new ATOM 0 HG12 VAL A 100 -7.528 -2.397 1.120 1.00 54.34 H new ATOM 0 HG13 VAL A 100 -6.625 -2.422 -0.413 1.00 54.34 H new ATOM 0 HG21 VAL A 100 -5.671 -5.385 -0.130 1.00 32.31 H new ATOM 0 HG22 VAL A 100 -4.535 -4.093 -0.586 1.00 32.31 H new ATOM 0 HG23 VAL A 100 -4.193 -5.122 0.825 1.00 32.31 H new ATOM 1622 N LYS A 101 -6.109 -1.842 3.612 1.00 52.20 N ATOM 1623 CA LYS A 101 -6.955 -0.968 4.455 1.00 71.33 C ATOM 1624 C LYS A 101 -6.140 0.224 5.010 1.00 33.40 C ATOM 1625 O LYS A 101 -6.607 1.370 5.020 1.00 12.12 O ATOM 1626 CB LYS A 101 -7.555 -1.836 5.596 1.00 65.23 C ATOM 1627 CG LYS A 101 -8.878 -1.332 6.209 1.00 1.51 C ATOM 1628 CD LYS A 101 -9.610 -2.459 6.993 1.00 53.14 C ATOM 1629 CE LYS A 101 -9.942 -3.687 6.101 1.00 31.21 C ATOM 1630 NZ LYS A 101 -10.916 -3.371 5.025 1.00 14.30 N ATOM 0 H LYS A 101 -6.000 -2.783 3.990 1.00 52.20 H new ATOM 0 HA LYS A 101 -7.763 -0.539 3.862 1.00 71.33 H new ATOM 0 HB2 LYS A 101 -7.717 -2.843 5.212 1.00 65.23 H new ATOM 0 HB3 LYS A 101 -6.815 -1.914 6.393 1.00 65.23 H new ATOM 0 HG2 LYS A 101 -8.675 -0.495 6.878 1.00 1.51 H new ATOM 0 HG3 LYS A 101 -9.527 -0.957 5.418 1.00 1.51 H new ATOM 0 HD2 LYS A 101 -8.987 -2.779 7.829 1.00 53.14 H new ATOM 0 HD3 LYS A 101 -10.533 -2.062 7.417 1.00 53.14 H new ATOM 0 HE2 LYS A 101 -9.023 -4.064 5.653 1.00 31.21 H new ATOM 0 HE3 LYS A 101 -10.343 -4.486 6.725 1.00 31.21 H new ATOM 0 HZ1 LYS A 101 -11.100 -4.226 4.462 1.00 14.30 H new ATOM 0 HZ2 LYS A 101 -11.805 -3.037 5.449 1.00 14.30 H new ATOM 0 HZ3 LYS A 101 -10.525 -2.629 4.410 1.00 14.30 H new ATOM 1644 N LYS A 102 -4.879 -0.067 5.377 1.00 54.22 N ATOM 1645 CA LYS A 102 -3.946 0.905 5.976 1.00 63.24 C ATOM 1646 C LYS A 102 -3.620 1.972 4.968 1.00 65.31 C ATOM 1647 O LYS A 102 -3.944 3.147 5.165 1.00 31.20 O ATOM 1648 CB LYS A 102 -2.604 0.226 6.426 1.00 11.50 C ATOM 1649 CG LYS A 102 -2.627 -0.648 7.706 1.00 23.12 C ATOM 1650 CD LYS A 102 -2.732 0.159 9.028 1.00 33.53 C ATOM 1651 CE LYS A 102 -4.170 0.563 9.405 1.00 22.05 C ATOM 1652 NZ LYS A 102 -4.200 1.381 10.640 1.00 42.00 N ATOM 0 H LYS A 102 -4.474 -0.996 5.264 1.00 54.22 H new ATOM 0 HA LYS A 102 -4.434 1.329 6.854 1.00 63.24 H new ATOM 0 HB2 LYS A 102 -2.251 -0.396 5.603 1.00 11.50 H new ATOM 0 HB3 LYS A 102 -1.864 1.013 6.571 1.00 11.50 H new ATOM 0 HG2 LYS A 102 -3.470 -1.337 7.646 1.00 23.12 H new ATOM 0 HG3 LYS A 102 -1.721 -1.254 7.735 1.00 23.12 H new ATOM 0 HD2 LYS A 102 -2.308 -0.435 9.838 1.00 33.53 H new ATOM 0 HD3 LYS A 102 -2.124 1.059 8.941 1.00 33.53 H new ATOM 0 HE2 LYS A 102 -4.618 1.124 8.585 1.00 22.05 H new ATOM 0 HE3 LYS A 102 -4.775 -0.333 9.546 1.00 22.05 H new ATOM 0 HZ1 LYS A 102 -5.183 1.635 10.864 1.00 42.00 H new ATOM 0 HZ2 LYS A 102 -3.795 0.836 11.428 1.00 42.00 H new ATOM 0 HZ3 LYS A 102 -3.643 2.247 10.496 1.00 42.00 H new ATOM 1666 N LEU A 103 -3.045 1.534 3.838 1.00 15.25 N ATOM 1667 CA LEU A 103 -2.509 2.437 2.833 1.00 64.21 C ATOM 1668 C LEU A 103 -3.654 3.210 2.151 1.00 61.01 C ATOM 1669 O LEU A 103 -3.476 4.370 1.826 1.00 33.14 O ATOM 1670 CB LEU A 103 -1.615 1.650 1.835 1.00 13.24 C ATOM 1671 CG LEU A 103 -0.679 2.500 0.911 1.00 11.52 C ATOM 1672 CD1 LEU A 103 0.140 3.540 1.714 1.00 43.11 C ATOM 1673 CD2 LEU A 103 0.266 1.579 0.072 1.00 61.21 C ATOM 0 H LEU A 103 -2.943 0.546 3.605 1.00 15.25 H new ATOM 0 HA LEU A 103 -1.869 3.184 3.302 1.00 64.21 H new ATOM 0 HB2 LEU A 103 -0.994 0.959 2.406 1.00 13.24 H new ATOM 0 HB3 LEU A 103 -2.263 1.046 1.200 1.00 13.24 H new ATOM 0 HG LEU A 103 -1.321 3.052 0.225 1.00 11.52 H new ATOM 0 HD11 LEU A 103 0.775 4.107 1.033 1.00 43.11 H new ATOM 0 HD12 LEU A 103 -0.539 4.220 2.228 1.00 43.11 H new ATOM 0 HD13 LEU A 103 0.762 3.026 2.447 1.00 43.11 H new ATOM 0 HD21 LEU A 103 0.905 2.194 -0.561 1.00 61.21 H new ATOM 0 HD22 LEU A 103 0.885 0.984 0.744 1.00 61.21 H new ATOM 0 HD23 LEU A 103 -0.333 0.916 -0.552 1.00 61.21 H new ATOM 1685 N LEU A 104 -4.840 2.570 2.034 1.00 23.41 N ATOM 1686 CA LEU A 104 -6.079 3.244 1.565 1.00 13.13 C ATOM 1687 C LEU A 104 -6.486 4.403 2.520 1.00 65.22 C ATOM 1688 O LEU A 104 -6.811 5.492 2.059 1.00 42.21 O ATOM 1689 CB LEU A 104 -7.234 2.197 1.414 1.00 44.01 C ATOM 1690 CG LEU A 104 -8.651 2.743 1.004 1.00 73.43 C ATOM 1691 CD1 LEU A 104 -8.584 3.612 -0.275 1.00 13.04 C ATOM 1692 CD2 LEU A 104 -9.674 1.574 0.853 1.00 31.41 C ATOM 0 H LEU A 104 -4.968 1.583 2.258 1.00 23.41 H new ATOM 0 HA LEU A 104 -5.885 3.686 0.588 1.00 13.13 H new ATOM 0 HB2 LEU A 104 -6.928 1.461 0.671 1.00 44.01 H new ATOM 0 HB3 LEU A 104 -7.337 1.669 2.362 1.00 44.01 H new ATOM 0 HG LEU A 104 -9.001 3.391 1.807 1.00 73.43 H new ATOM 0 HD11 LEU A 104 -9.583 3.970 -0.525 1.00 13.04 H new ATOM 0 HD12 LEU A 104 -7.926 4.464 -0.102 1.00 13.04 H new ATOM 0 HD13 LEU A 104 -8.196 3.015 -1.100 1.00 13.04 H new ATOM 0 HD21 LEU A 104 -10.647 1.976 0.569 1.00 31.41 H new ATOM 0 HD22 LEU A 104 -9.328 0.885 0.083 1.00 31.41 H new ATOM 0 HD23 LEU A 104 -9.763 1.044 1.801 1.00 31.41 H new ATOM 1704 N ILE A 105 -6.456 4.136 3.856 1.00 72.22 N ATOM 1705 CA ILE A 105 -6.715 5.166 4.915 1.00 22.14 C ATOM 1706 C ILE A 105 -5.661 6.317 4.864 1.00 42.14 C ATOM 1707 O ILE A 105 -5.991 7.509 5.036 1.00 31.04 O ATOM 1708 CB ILE A 105 -6.795 4.526 6.354 1.00 60.33 C ATOM 1709 CG1 ILE A 105 -8.083 3.633 6.515 1.00 15.32 C ATOM 1710 CG2 ILE A 105 -6.705 5.578 7.490 1.00 71.31 C ATOM 1711 CD1 ILE A 105 -8.159 2.867 7.814 1.00 21.35 C ATOM 0 H ILE A 105 -6.254 3.210 4.232 1.00 72.22 H new ATOM 0 HA ILE A 105 -7.691 5.601 4.702 1.00 22.14 H new ATOM 0 HB ILE A 105 -5.918 3.886 6.450 1.00 60.33 H new ATOM 0 HG12 ILE A 105 -8.963 4.270 6.432 1.00 15.32 H new ATOM 0 HG13 ILE A 105 -8.123 2.924 5.688 1.00 15.32 H new ATOM 0 HG21 ILE A 105 -6.766 5.077 8.456 1.00 71.31 H new ATOM 0 HG22 ILE A 105 -5.757 6.112 7.417 1.00 71.31 H new ATOM 0 HG23 ILE A 105 -7.528 6.286 7.396 1.00 71.31 H new ATOM 0 HD11 ILE A 105 -9.078 2.281 7.837 1.00 21.35 H new ATOM 0 HD12 ILE A 105 -7.301 2.200 7.894 1.00 21.35 H new ATOM 0 HD13 ILE A 105 -8.154 3.567 8.650 1.00 21.35 H new ATOM 1723 N ILE A 106 -4.406 5.945 4.580 1.00 43.11 N ATOM 1724 CA ILE A 106 -3.254 6.877 4.537 1.00 42.41 C ATOM 1725 C ILE A 106 -3.411 7.870 3.371 1.00 21.14 C ATOM 1726 O ILE A 106 -3.466 9.093 3.597 1.00 54.52 O ATOM 1727 CB ILE A 106 -1.898 6.074 4.425 1.00 64.43 C ATOM 1728 CG1 ILE A 106 -1.677 5.207 5.702 1.00 41.21 C ATOM 1729 CG2 ILE A 106 -0.675 7.008 4.178 1.00 42.41 C ATOM 1730 CD1 ILE A 106 -0.521 4.245 5.622 1.00 23.34 C ATOM 0 H ILE A 106 -4.151 4.980 4.370 1.00 43.11 H new ATOM 0 HA ILE A 106 -3.230 7.448 5.465 1.00 42.41 H new ATOM 0 HB ILE A 106 -1.979 5.420 3.557 1.00 64.43 H new ATOM 0 HG12 ILE A 106 -1.520 5.871 6.552 1.00 41.21 H new ATOM 0 HG13 ILE A 106 -2.588 4.642 5.902 1.00 41.21 H new ATOM 0 HG21 ILE A 106 0.233 6.408 4.109 1.00 42.41 H new ATOM 0 HG22 ILE A 106 -0.819 7.558 3.248 1.00 42.41 H new ATOM 0 HG23 ILE A 106 -0.582 7.712 5.005 1.00 42.41 H new ATOM 0 HD11 ILE A 106 -0.447 3.687 6.555 1.00 23.34 H new ATOM 0 HD12 ILE A 106 -0.681 3.551 4.796 1.00 23.34 H new ATOM 0 HD13 ILE A 106 0.403 4.799 5.456 1.00 23.34 H new ATOM 1742 N ILE A 107 -3.538 7.336 2.142 1.00 12.04 N ATOM 1743 CA ILE A 107 -3.585 8.151 0.900 1.00 64.53 C ATOM 1744 C ILE A 107 -5.042 8.532 0.497 1.00 5.11 C ATOM 1745 O ILE A 107 -5.251 9.002 -0.637 1.00 2.30 O ATOM 1746 CB ILE A 107 -2.830 7.407 -0.295 1.00 42.23 C ATOM 1747 CG1 ILE A 107 -3.482 6.016 -0.695 1.00 31.30 C ATOM 1748 CG2 ILE A 107 -1.322 7.229 0.069 1.00 41.04 C ATOM 1749 CD1 ILE A 107 -4.681 6.037 -1.643 1.00 2.12 C ATOM 0 H ILE A 107 -3.611 6.332 1.975 1.00 12.04 H new ATOM 0 HA ILE A 107 -3.063 9.085 1.107 1.00 64.53 H new ATOM 0 HB ILE A 107 -2.930 8.041 -1.176 1.00 42.23 H new ATOM 0 HG12 ILE A 107 -2.706 5.401 -1.150 1.00 31.30 H new ATOM 0 HG13 ILE A 107 -3.789 5.514 0.222 1.00 31.30 H new ATOM 0 HG21 ILE A 107 -0.808 6.721 -0.747 1.00 41.04 H new ATOM 0 HG22 ILE A 107 -0.869 8.207 0.230 1.00 41.04 H new ATOM 0 HG23 ILE A 107 -1.235 6.634 0.978 1.00 41.04 H new ATOM 0 HD11 ILE A 107 -5.019 5.017 -1.825 1.00 2.12 H new ATOM 0 HD12 ILE A 107 -5.490 6.612 -1.193 1.00 2.12 H new ATOM 0 HD13 ILE A 107 -4.390 6.497 -2.587 1.00 2.12 H new ATOM 1761 N SER A 108 -6.010 8.344 1.434 1.00 3.02 N ATOM 1762 CA SER A 108 -7.462 8.575 1.197 1.00 74.52 C ATOM 1763 C SER A 108 -7.726 10.023 0.718 1.00 40.24 C ATOM 1764 O SER A 108 -7.881 10.953 1.530 1.00 74.11 O ATOM 1765 CB SER A 108 -8.264 8.256 2.488 1.00 24.23 C ATOM 1766 OG SER A 108 -9.663 8.265 2.254 1.00 21.05 O ATOM 0 H SER A 108 -5.804 8.026 2.381 1.00 3.02 H new ATOM 0 HA SER A 108 -7.797 7.906 0.404 1.00 74.52 H new ATOM 0 HB2 SER A 108 -7.965 7.280 2.870 1.00 24.23 H new ATOM 0 HB3 SER A 108 -8.019 8.988 3.258 1.00 24.23 H new ATOM 0 HG SER A 108 -10.135 8.059 3.088 1.00 21.05 H new