USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=22 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 67 THR OG1 : rot -85:sc= 0.00332 USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 18 MET CE :methyl 140:sc= -0.141 (180deg=-0.847) USER MOD Set 2.2: A 60 SER OG : rot -34:sc= -0.295 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0825 USER MOD Single : A 29 TYR OH : rot 23:sc= -0.41 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.38) USER MOD Single : A 47 HIS : no HE2:sc= -0.0574 X(o=-0.057,f=-0.55) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 73:sc= 0 USER MOD Single : A 58 THR OG1 : rot 9:sc= 0.234 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.251 (180deg=0.067) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 31:sc= 0.666 USER MOD Single : A 74 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.12) USER MOD Single : A 76 ASN : amide:sc= -0.0971 X(o=-0.097,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.15 F(o=-2.8!,f=-0.15) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00719 USER MOD Single : A 97 THR OG1 : rot -73:sc= 0.521 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.0662 (180deg=-0.322) 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 -1.771 17.429 5.510 1.00 31.40 N ATOM 218 CA ALA A 14 -2.104 16.318 4.598 1.00 25.44 C ATOM 219 C ALA A 14 -0.819 15.575 4.176 1.00 71.14 C ATOM 220 O ALA A 14 -0.492 14.548 4.762 1.00 41.42 O ATOM 221 CB ALA A 14 -2.933 16.776 3.373 1.00 40.34 C ATOM 0 HA ALA A 14 -2.743 15.624 5.144 1.00 25.44 H new ATOM 0 HB1 ALA A 14 -3.148 15.917 2.738 1.00 40.34 H new ATOM 0 HB2 ALA A 14 -3.869 17.220 3.712 1.00 40.34 H new ATOM 0 HB3 ALA A 14 -2.366 17.514 2.805 1.00 40.34 H new ATOM 227 N THR A 15 -0.076 16.161 3.218 1.00 51.05 N ATOM 228 CA THR A 15 1.113 15.564 2.599 1.00 43.51 C ATOM 229 C THR A 15 2.232 15.240 3.631 1.00 2.11 C ATOM 230 O THR A 15 2.755 14.125 3.623 1.00 11.24 O ATOM 231 CB THR A 15 1.650 16.519 1.484 1.00 22.35 C ATOM 232 OG1 THR A 15 0.577 16.855 0.584 1.00 2.24 O ATOM 233 CG2 THR A 15 2.807 15.903 0.675 1.00 44.21 C ATOM 0 H THR A 15 -0.295 17.086 2.847 1.00 51.05 H new ATOM 0 HA THR A 15 0.816 14.611 2.161 1.00 43.51 H new ATOM 0 HB THR A 15 2.036 17.408 1.983 1.00 22.35 H new ATOM 0 HG1 THR A 15 0.912 17.455 -0.115 1.00 2.24 H new ATOM 0 HG21 THR A 15 3.138 16.612 -0.084 1.00 44.21 H new ATOM 0 HG22 THR A 15 3.637 15.673 1.344 1.00 44.21 H new ATOM 0 HG23 THR A 15 2.466 14.987 0.192 1.00 44.21 H new ATOM 241 N ALA A 16 2.562 16.197 4.533 1.00 1.43 N ATOM 242 CA ALA A 16 3.693 16.046 5.499 1.00 42.24 C ATOM 243 C ALA A 16 3.382 14.998 6.569 1.00 21.24 C ATOM 244 O ALA A 16 4.242 14.173 6.901 1.00 23.24 O ATOM 245 CB ALA A 16 4.046 17.380 6.174 1.00 53.40 C ATOM 0 H ALA A 16 2.065 17.084 4.616 1.00 1.43 H new ATOM 0 HA ALA A 16 4.553 15.711 4.919 1.00 42.24 H new ATOM 0 HB1 ALA A 16 4.872 17.229 6.869 1.00 53.40 H new ATOM 0 HB2 ALA A 16 4.338 18.106 5.415 1.00 53.40 H new ATOM 0 HB3 ALA A 16 3.178 17.753 6.718 1.00 53.40 H new ATOM 251 N GLN A 17 2.149 15.054 7.109 1.00 44.11 N ATOM 252 CA GLN A 17 1.680 14.095 8.133 1.00 75.03 C ATOM 253 C GLN A 17 1.581 12.683 7.534 1.00 75.12 C ATOM 254 O GLN A 17 1.949 11.699 8.180 1.00 24.15 O ATOM 255 CB GLN A 17 0.304 14.524 8.723 1.00 5.34 C ATOM 256 CG GLN A 17 -0.265 13.536 9.779 1.00 54.04 C ATOM 257 CD GLN A 17 -1.623 13.928 10.370 1.00 64.01 C ATOM 258 OE1 GLN A 17 -1.922 13.600 11.519 1.00 73.41 O ATOM 259 NE2 GLN A 17 -2.472 14.586 9.587 1.00 34.11 N ATOM 0 H GLN A 17 1.455 15.756 6.853 1.00 44.11 H new ATOM 0 HA GLN A 17 2.408 14.089 8.944 1.00 75.03 H new ATOM 0 HB2 GLN A 17 0.407 15.509 9.179 1.00 5.34 H new ATOM 0 HB3 GLN A 17 -0.414 14.623 7.909 1.00 5.34 H new ATOM 0 HG2 GLN A 17 -0.356 12.551 9.321 1.00 54.04 H new ATOM 0 HG3 GLN A 17 0.455 13.443 10.592 1.00 54.04 H new ATOM 0 HE21 GLN A 17 -2.196 14.844 8.640 1.00 34.11 H new ATOM 0 HE22 GLN A 17 -3.399 14.832 9.934 1.00 34.11 H new ATOM 268 N MET A 18 1.087 12.615 6.285 1.00 10.51 N ATOM 269 CA MET A 18 0.927 11.348 5.544 1.00 24.12 C ATOM 270 C MET A 18 2.294 10.717 5.246 1.00 34.23 C ATOM 271 O MET A 18 2.447 9.515 5.371 1.00 63.43 O ATOM 272 CB MET A 18 0.179 11.584 4.211 1.00 4.22 C ATOM 273 CG MET A 18 -0.074 10.316 3.386 1.00 74.01 C ATOM 274 SD MET A 18 -0.804 10.668 1.777 1.00 23.11 S ATOM 275 CE MET A 18 0.569 11.515 1.007 1.00 71.32 C ATOM 0 H MET A 18 0.787 13.436 5.760 1.00 10.51 H new ATOM 0 HA MET A 18 0.345 10.671 6.170 1.00 24.12 H new ATOM 0 HB2 MET A 18 -0.778 12.058 4.426 1.00 4.22 H new ATOM 0 HB3 MET A 18 0.754 12.286 3.607 1.00 4.22 H new ATOM 0 HG2 MET A 18 0.868 9.785 3.245 1.00 74.01 H new ATOM 0 HG3 MET A 18 -0.734 9.651 3.943 1.00 74.01 H new ATOM 0 HE1 MET A 18 0.650 11.204 -0.035 1.00 71.32 H new ATOM 0 HE2 MET A 18 0.404 12.592 1.053 1.00 71.32 H new ATOM 0 HE3 MET A 18 1.491 11.266 1.533 1.00 71.32 H new ATOM 285 N GLU A 19 3.263 11.567 4.852 1.00 40.01 N ATOM 286 CA GLU A 19 4.633 11.153 4.473 1.00 50.22 C ATOM 287 C GLU A 19 5.382 10.639 5.720 1.00 12.34 C ATOM 288 O GLU A 19 5.989 9.566 5.688 1.00 52.23 O ATOM 289 CB GLU A 19 5.358 12.363 3.792 1.00 40.10 C ATOM 290 CG GLU A 19 6.709 12.068 3.071 1.00 4.11 C ATOM 291 CD GLU A 19 7.946 11.999 3.991 1.00 61.03 C ATOM 292 OE1 GLU A 19 7.966 12.687 5.038 1.00 1.41 O ATOM 293 OE2 GLU A 19 8.925 11.302 3.642 1.00 44.31 O ATOM 0 H GLU A 19 3.116 12.574 4.786 1.00 40.01 H new ATOM 0 HA GLU A 19 4.607 10.333 3.755 1.00 50.22 H new ATOM 0 HB2 GLU A 19 4.675 12.800 3.064 1.00 40.10 H new ATOM 0 HB3 GLU A 19 5.540 13.121 4.554 1.00 40.10 H new ATOM 0 HG2 GLU A 19 6.619 11.121 2.539 1.00 4.11 H new ATOM 0 HG3 GLU A 19 6.878 12.840 2.320 1.00 4.11 H new ATOM 300 N GLU A 20 5.280 11.407 6.822 1.00 71.30 N ATOM 301 CA GLU A 20 5.848 11.047 8.136 1.00 73.21 C ATOM 302 C GLU A 20 5.292 9.690 8.606 1.00 72.55 C ATOM 303 O GLU A 20 6.054 8.792 8.990 1.00 70.23 O ATOM 304 CB GLU A 20 5.500 12.135 9.188 1.00 25.35 C ATOM 305 CG GLU A 20 5.959 11.818 10.628 1.00 41.24 C ATOM 306 CD GLU A 20 5.501 12.859 11.661 1.00 24.31 C ATOM 307 OE1 GLU A 20 4.296 12.891 11.993 1.00 70.42 O ATOM 308 OE2 GLU A 20 6.346 13.636 12.162 1.00 22.43 O ATOM 0 H GLU A 20 4.796 12.305 6.825 1.00 71.30 H new ATOM 0 HA GLU A 20 6.931 10.976 8.033 1.00 73.21 H new ATOM 0 HB2 GLU A 20 5.951 13.077 8.878 1.00 25.35 H new ATOM 0 HB3 GLU A 20 4.420 12.285 9.191 1.00 25.35 H new ATOM 0 HG2 GLU A 20 5.575 10.839 10.916 1.00 41.24 H new ATOM 0 HG3 GLU A 20 7.047 11.752 10.648 1.00 41.24 H new ATOM 315 N LYS A 21 3.948 9.562 8.549 1.00 3.23 N ATOM 316 CA LYS A 21 3.235 8.358 8.995 1.00 70.23 C ATOM 317 C LYS A 21 3.491 7.179 8.043 1.00 62.22 C ATOM 318 O LYS A 21 3.502 6.038 8.485 1.00 14.25 O ATOM 319 CB LYS A 21 1.710 8.634 9.168 1.00 4.23 C ATOM 320 CG LYS A 21 0.869 7.383 9.570 1.00 34.45 C ATOM 321 CD LYS A 21 -0.438 7.716 10.324 1.00 74.24 C ATOM 322 CE LYS A 21 -0.170 8.309 11.718 1.00 1.31 C ATOM 323 NZ LYS A 21 -1.423 8.508 12.486 1.00 14.24 N ATOM 0 H LYS A 21 3.333 10.293 8.192 1.00 3.23 H new ATOM 0 HA LYS A 21 3.628 8.081 9.973 1.00 70.23 H new ATOM 0 HB2 LYS A 21 1.577 9.405 9.927 1.00 4.23 H new ATOM 0 HB3 LYS A 21 1.318 9.035 8.234 1.00 4.23 H new ATOM 0 HG2 LYS A 21 0.623 6.820 8.670 1.00 34.45 H new ATOM 0 HG3 LYS A 21 1.481 6.733 10.195 1.00 34.45 H new ATOM 0 HD2 LYS A 21 -1.024 8.423 9.737 1.00 74.24 H new ATOM 0 HD3 LYS A 21 -1.038 6.811 10.425 1.00 74.24 H new ATOM 0 HE2 LYS A 21 0.494 7.646 12.273 1.00 1.31 H new ATOM 0 HE3 LYS A 21 0.347 9.263 11.613 1.00 1.31 H new ATOM 0 HZ1 LYS A 21 -1.198 8.909 13.419 1.00 14.24 H new ATOM 0 HZ2 LYS A 21 -2.047 9.161 11.970 1.00 14.24 H new ATOM 0 HZ3 LYS A 21 -1.904 7.594 12.609 1.00 14.24 H new ATOM 337 N LEU A 22 3.726 7.467 6.746 1.00 2.30 N ATOM 338 CA LEU A 22 4.055 6.433 5.742 1.00 41.53 C ATOM 339 C LEU A 22 5.465 5.867 6.030 1.00 62.13 C ATOM 340 O LEU A 22 5.690 4.664 5.875 1.00 41.32 O ATOM 341 CB LEU A 22 3.928 7.023 4.299 1.00 21.52 C ATOM 342 CG LEU A 22 3.555 6.034 3.140 1.00 23.22 C ATOM 343 CD1 LEU A 22 3.165 6.805 1.854 1.00 42.42 C ATOM 344 CD2 LEU A 22 4.683 5.019 2.862 1.00 40.34 C ATOM 0 H LEU A 22 3.694 8.414 6.367 1.00 2.30 H new ATOM 0 HA LEU A 22 3.348 5.606 5.809 1.00 41.53 H new ATOM 0 HB2 LEU A 22 3.175 7.811 4.323 1.00 21.52 H new ATOM 0 HB3 LEU A 22 4.877 7.496 4.045 1.00 21.52 H new ATOM 0 HG LEU A 22 2.686 5.464 3.469 1.00 23.22 H new ATOM 0 HD11 LEU A 22 2.911 6.095 1.067 1.00 42.42 H new ATOM 0 HD12 LEU A 22 2.305 7.443 2.059 1.00 42.42 H new ATOM 0 HD13 LEU A 22 4.004 7.421 1.530 1.00 42.42 H new ATOM 0 HD21 LEU A 22 4.383 4.354 2.053 1.00 40.34 H new ATOM 0 HD22 LEU A 22 5.590 5.552 2.576 1.00 40.34 H new ATOM 0 HD23 LEU A 22 4.875 4.433 3.761 1.00 40.34 H new ATOM 356 N ARG A 23 6.404 6.733 6.473 1.00 54.12 N ATOM 357 CA ARG A 23 7.746 6.285 6.917 1.00 31.20 C ATOM 358 C ARG A 23 7.621 5.430 8.191 1.00 65.31 C ATOM 359 O ARG A 23 8.200 4.354 8.273 1.00 3.25 O ATOM 360 CB ARG A 23 8.702 7.480 7.184 1.00 12.52 C ATOM 361 CG ARG A 23 8.941 8.393 5.964 1.00 60.04 C ATOM 362 CD ARG A 23 10.186 9.282 6.093 1.00 64.31 C ATOM 363 NE ARG A 23 10.152 10.182 7.267 1.00 45.55 N ATOM 364 CZ ARG A 23 10.365 11.513 7.227 1.00 24.22 C ATOM 365 NH1 ARG A 23 10.601 12.128 6.078 1.00 23.23 N ATOM 366 NH2 ARG A 23 10.362 12.218 8.345 1.00 23.02 N ATOM 0 H ARG A 23 6.260 7.741 6.533 1.00 54.12 H new ATOM 0 HA ARG A 23 8.174 5.690 6.110 1.00 31.20 H new ATOM 0 HB2 ARG A 23 8.294 8.081 7.997 1.00 12.52 H new ATOM 0 HB3 ARG A 23 9.662 7.092 7.525 1.00 12.52 H new ATOM 0 HG2 ARG A 23 9.038 7.774 5.072 1.00 60.04 H new ATOM 0 HG3 ARG A 23 8.066 9.027 5.819 1.00 60.04 H new ATOM 0 HD2 ARG A 23 11.070 8.648 6.157 1.00 64.31 H new ATOM 0 HD3 ARG A 23 10.289 9.882 5.189 1.00 64.31 H new ATOM 0 HE ARG A 23 9.952 9.764 8.176 1.00 45.55 H new ATOM 0 HH11 ARG A 23 10.623 11.594 5.209 1.00 23.23 H new ATOM 0 HH12 ARG A 23 10.760 13.135 6.062 1.00 23.23 H new ATOM 0 HH21 ARG A 23 10.198 11.755 9.239 1.00 23.02 H new ATOM 0 HH22 ARG A 23 10.523 13.225 8.314 1.00 23.02 H new ATOM 380 N ASP A 24 6.825 5.939 9.148 1.00 13.13 N ATOM 381 CA ASP A 24 6.513 5.275 10.440 1.00 11.35 C ATOM 382 C ASP A 24 5.877 3.878 10.232 1.00 74.44 C ATOM 383 O ASP A 24 6.170 2.930 10.966 1.00 25.51 O ATOM 384 CB ASP A 24 5.566 6.218 11.252 1.00 42.02 C ATOM 385 CG ASP A 24 4.845 5.552 12.443 1.00 63.11 C ATOM 386 OD1 ASP A 24 5.471 5.363 13.508 1.00 13.03 O ATOM 387 OD2 ASP A 24 3.639 5.233 12.318 1.00 65.24 O ATOM 0 H ASP A 24 6.367 6.845 9.049 1.00 13.13 H new ATOM 0 HA ASP A 24 7.436 5.106 10.995 1.00 11.35 H new ATOM 0 HB2 ASP A 24 6.149 7.060 11.625 1.00 42.02 H new ATOM 0 HB3 ASP A 24 4.816 6.625 10.574 1.00 42.02 H new ATOM 392 N PHE A 25 5.035 3.794 9.205 1.00 21.24 N ATOM 393 CA PHE A 25 4.262 2.599 8.818 1.00 53.15 C ATOM 394 C PHE A 25 5.166 1.547 8.143 1.00 32.23 C ATOM 395 O PHE A 25 5.255 0.399 8.604 1.00 5.43 O ATOM 396 CB PHE A 25 3.120 3.107 7.885 1.00 70.32 C ATOM 397 CG PHE A 25 2.390 2.114 6.983 1.00 53.03 C ATOM 398 CD1 PHE A 25 1.378 1.297 7.478 1.00 52.53 C ATOM 399 CD2 PHE A 25 2.664 2.067 5.606 1.00 50.41 C ATOM 400 CE1 PHE A 25 0.669 0.464 6.632 1.00 33.44 C ATOM 401 CE2 PHE A 25 1.962 1.224 4.767 1.00 1.12 C ATOM 402 CZ PHE A 25 0.962 0.427 5.280 1.00 13.20 C ATOM 0 H PHE A 25 4.860 4.587 8.588 1.00 21.24 H new ATOM 0 HA PHE A 25 3.839 2.091 9.684 1.00 53.15 H new ATOM 0 HB2 PHE A 25 2.372 3.587 8.516 1.00 70.32 H new ATOM 0 HB3 PHE A 25 3.541 3.882 7.245 1.00 70.32 H new ATOM 0 HD1 PHE A 25 1.144 1.314 8.532 1.00 52.53 H new ATOM 0 HD2 PHE A 25 3.437 2.701 5.197 1.00 50.41 H new ATOM 0 HE1 PHE A 25 -0.118 -0.161 7.028 1.00 33.44 H new ATOM 0 HE2 PHE A 25 2.196 1.190 3.713 1.00 1.12 H new ATOM 0 HZ PHE A 25 0.406 -0.228 4.626 1.00 13.20 H new ATOM 412 N THR A 26 5.861 1.976 7.074 1.00 2.41 N ATOM 413 CA THR A 26 6.723 1.106 6.244 1.00 31.33 C ATOM 414 C THR A 26 8.060 0.769 6.969 1.00 43.21 C ATOM 415 O THR A 26 8.749 -0.182 6.595 1.00 25.41 O ATOM 416 CB THR A 26 6.973 1.765 4.840 1.00 24.42 C ATOM 417 OG1 THR A 26 5.713 2.157 4.266 1.00 11.15 O ATOM 418 CG2 THR A 26 7.682 0.821 3.849 1.00 33.00 C ATOM 0 H THR A 26 5.842 2.945 6.757 1.00 2.41 H new ATOM 0 HA THR A 26 6.204 0.161 6.085 1.00 31.33 H new ATOM 0 HB THR A 26 7.623 2.624 5.007 1.00 24.42 H new ATOM 0 HG1 THR A 26 5.847 2.421 3.332 1.00 11.15 H new ATOM 0 HG21 THR A 26 7.826 1.334 2.898 1.00 33.00 H new ATOM 0 HG22 THR A 26 8.651 0.529 4.254 1.00 33.00 H new ATOM 0 HG23 THR A 26 7.071 -0.068 3.693 1.00 33.00 H new ATOM 426 N ARG A 27 8.394 1.561 8.017 1.00 24.31 N ATOM 427 CA ARG A 27 9.553 1.330 8.932 1.00 71.35 C ATOM 428 C ARG A 27 9.692 -0.145 9.365 1.00 2.20 C ATOM 429 O ARG A 27 10.794 -0.714 9.331 1.00 34.04 O ATOM 430 CB ARG A 27 9.386 2.238 10.196 1.00 32.52 C ATOM 431 CG ARG A 27 10.242 1.862 11.430 1.00 21.53 C ATOM 432 CD ARG A 27 10.013 2.813 12.623 1.00 5.13 C ATOM 433 NE ARG A 27 8.578 3.005 12.942 1.00 43.44 N ATOM 434 CZ ARG A 27 7.952 2.564 14.050 1.00 41.34 C ATOM 435 NH1 ARG A 27 8.608 1.878 14.983 1.00 13.10 N ATOM 436 NH2 ARG A 27 6.672 2.844 14.237 1.00 61.40 N ATOM 0 H ARG A 27 7.859 2.395 8.260 1.00 24.31 H new ATOM 0 HA ARG A 27 10.462 1.584 8.386 1.00 71.35 H new ATOM 0 HB2 ARG A 27 9.624 3.264 9.914 1.00 32.52 H new ATOM 0 HB3 ARG A 27 8.337 2.224 10.491 1.00 32.52 H new ATOM 0 HG2 ARG A 27 10.007 0.842 11.733 1.00 21.53 H new ATOM 0 HG3 ARG A 27 11.297 1.878 11.155 1.00 21.53 H new ATOM 0 HD2 ARG A 27 10.525 2.417 13.500 1.00 5.13 H new ATOM 0 HD3 ARG A 27 10.463 3.781 12.401 1.00 5.13 H new ATOM 0 HE ARG A 27 8.015 3.516 12.262 1.00 43.44 H new ATOM 0 HH11 ARG A 27 9.601 1.678 14.865 1.00 13.10 H new ATOM 0 HH12 ARG A 27 8.117 1.552 15.816 1.00 13.10 H new ATOM 0 HH21 ARG A 27 6.163 3.392 13.543 1.00 61.40 H new ATOM 0 HH22 ARG A 27 6.194 2.512 15.075 1.00 61.40 H new ATOM 450 N ALA A 28 8.551 -0.747 9.748 1.00 4.54 N ATOM 451 CA ALA A 28 8.508 -2.077 10.388 1.00 60.13 C ATOM 452 C ALA A 28 8.916 -3.214 9.437 1.00 2.14 C ATOM 453 O ALA A 28 9.435 -4.238 9.892 1.00 44.03 O ATOM 454 CB ALA A 28 7.106 -2.350 10.960 1.00 74.40 C ATOM 0 H ALA A 28 7.631 -0.325 9.623 1.00 4.54 H new ATOM 0 HA ALA A 28 9.240 -2.058 11.195 1.00 60.13 H new ATOM 0 HB1 ALA A 28 7.089 -3.334 11.429 1.00 74.40 H new ATOM 0 HB2 ALA A 28 6.862 -1.590 11.702 1.00 74.40 H new ATOM 0 HB3 ALA A 28 6.372 -2.319 10.155 1.00 74.40 H new ATOM 460 N TYR A 29 8.702 -3.022 8.123 1.00 42.20 N ATOM 461 CA TYR A 29 8.802 -4.116 7.145 1.00 61.51 C ATOM 462 C TYR A 29 9.289 -3.654 5.752 1.00 60.32 C ATOM 463 O TYR A 29 8.968 -2.567 5.275 1.00 63.13 O ATOM 464 CB TYR A 29 7.440 -4.888 7.057 1.00 55.33 C ATOM 465 CG TYR A 29 6.148 -4.039 7.116 1.00 32.22 C ATOM 466 CD1 TYR A 29 6.048 -2.781 6.515 1.00 54.21 C ATOM 467 CD2 TYR A 29 5.010 -4.527 7.770 1.00 3.23 C ATOM 468 CE1 TYR A 29 4.881 -2.046 6.582 1.00 21.43 C ATOM 469 CE2 TYR A 29 3.846 -3.791 7.831 1.00 52.02 C ATOM 470 CZ TYR A 29 3.788 -2.558 7.234 1.00 14.30 C ATOM 471 OH TYR A 29 2.639 -1.816 7.307 1.00 51.23 O ATOM 0 H TYR A 29 8.459 -2.119 7.716 1.00 42.20 H new ATOM 0 HA TYR A 29 9.572 -4.798 7.507 1.00 61.51 H new ATOM 0 HB2 TYR A 29 7.431 -5.455 6.126 1.00 55.33 H new ATOM 0 HB3 TYR A 29 7.407 -5.612 7.871 1.00 55.33 H new ATOM 0 HD1 TYR A 29 6.900 -2.376 5.988 1.00 54.21 H new ATOM 0 HD2 TYR A 29 5.045 -5.500 8.236 1.00 3.23 H new ATOM 0 HE1 TYR A 29 4.829 -1.070 6.122 1.00 21.43 H new ATOM 0 HE2 TYR A 29 2.983 -4.184 8.347 1.00 52.02 H new ATOM 0 HH TYR A 29 2.625 -1.161 6.578 1.00 51.23 H new ATOM 481 N GLU A 30 10.090 -4.534 5.138 1.00 4.22 N ATOM 482 CA GLU A 30 10.587 -4.420 3.755 1.00 51.15 C ATOM 483 C GLU A 30 10.245 -5.763 3.037 1.00 33.24 C ATOM 484 O GLU A 30 9.633 -6.636 3.677 1.00 42.42 O ATOM 485 CB GLU A 30 12.122 -4.113 3.800 1.00 13.50 C ATOM 486 CG GLU A 30 12.471 -2.754 4.450 1.00 35.51 C ATOM 487 CD GLU A 30 13.983 -2.524 4.614 1.00 34.41 C ATOM 488 OE1 GLU A 30 14.615 -3.248 5.412 1.00 10.11 O ATOM 489 OE2 GLU A 30 14.544 -1.611 3.967 1.00 5.11 O ATOM 0 H GLU A 30 10.424 -5.377 5.605 1.00 4.22 H new ATOM 0 HA GLU A 30 10.122 -3.606 3.199 1.00 51.15 H new ATOM 0 HB2 GLU A 30 12.625 -4.908 4.351 1.00 13.50 H new ATOM 0 HB3 GLU A 30 12.516 -4.130 2.784 1.00 13.50 H new ATOM 0 HG2 GLU A 30 12.053 -1.951 3.842 1.00 35.51 H new ATOM 0 HG3 GLU A 30 11.994 -2.695 5.428 1.00 35.51 H new ATOM 496 N PRO A 31 10.567 -5.983 1.710 1.00 44.02 N ATOM 497 CA PRO A 31 10.349 -7.301 1.051 1.00 24.21 C ATOM 498 C PRO A 31 11.427 -8.366 1.415 1.00 13.11 C ATOM 499 O PRO A 31 11.963 -9.057 0.541 1.00 64.53 O ATOM 500 CB PRO A 31 10.330 -6.951 -0.478 1.00 2.44 C ATOM 501 CG PRO A 31 10.432 -5.447 -0.560 1.00 70.45 C ATOM 502 CD PRO A 31 11.072 -4.995 0.730 1.00 0.23 C ATOM 0 HA PRO A 31 9.426 -7.775 1.385 1.00 24.21 H new ATOM 0 HB2 PRO A 31 11.161 -7.428 -0.998 1.00 2.44 H new ATOM 0 HB3 PRO A 31 9.413 -7.306 -0.949 1.00 2.44 H new ATOM 0 HG2 PRO A 31 11.032 -5.144 -1.418 1.00 70.45 H new ATOM 0 HG3 PRO A 31 9.447 -4.997 -0.684 1.00 70.45 H new ATOM 0 HD2 PRO A 31 12.160 -5.007 0.668 1.00 0.23 H new ATOM 0 HD3 PRO A 31 10.779 -3.979 0.993 1.00 0.23 H new ATOM 510 N ASP A 32 11.715 -8.493 2.726 1.00 72.10 N ATOM 511 CA ASP A 32 12.479 -9.618 3.292 1.00 41.15 C ATOM 512 C ASP A 32 11.469 -10.519 4.050 1.00 73.01 C ATOM 513 O ASP A 32 10.252 -10.260 4.004 1.00 30.41 O ATOM 514 CB ASP A 32 13.629 -9.076 4.207 1.00 33.43 C ATOM 515 CG ASP A 32 14.629 -10.167 4.669 1.00 73.24 C ATOM 516 OD1 ASP A 32 15.479 -10.594 3.854 1.00 11.41 O ATOM 517 OD2 ASP A 32 14.555 -10.618 5.837 1.00 23.22 O ATOM 0 H ASP A 32 11.421 -7.811 3.425 1.00 72.10 H new ATOM 0 HA ASP A 32 12.968 -10.212 2.519 1.00 41.15 H new ATOM 0 HB2 ASP A 32 14.175 -8.301 3.668 1.00 33.43 H new ATOM 0 HB3 ASP A 32 13.189 -8.604 5.086 1.00 33.43 H new ATOM 522 N SER A 33 11.949 -11.595 4.690 1.00 53.42 N ATOM 523 CA SER A 33 11.109 -12.499 5.482 1.00 52.22 C ATOM 524 C SER A 33 10.713 -11.830 6.819 1.00 74.13 C ATOM 525 O SER A 33 11.385 -11.986 7.845 1.00 65.14 O ATOM 526 CB SER A 33 11.854 -13.836 5.692 1.00 60.31 C ATOM 527 OG SER A 33 12.204 -14.424 4.439 1.00 4.30 O ATOM 0 H SER A 33 12.933 -11.862 4.672 1.00 53.42 H new ATOM 0 HA SER A 33 10.183 -12.712 4.948 1.00 52.22 H new ATOM 0 HB2 SER A 33 12.754 -13.667 6.283 1.00 60.31 H new ATOM 0 HB3 SER A 33 11.225 -14.523 6.258 1.00 60.31 H new ATOM 0 HG SER A 33 12.676 -15.269 4.594 1.00 4.30 H new ATOM 533 N VAL A 34 9.651 -11.008 6.745 1.00 71.10 N ATOM 534 CA VAL A 34 9.034 -10.355 7.908 1.00 64.12 C ATOM 535 C VAL A 34 8.152 -11.381 8.628 1.00 65.10 C ATOM 536 O VAL A 34 8.395 -11.747 9.782 1.00 32.11 O ATOM 537 CB VAL A 34 8.172 -9.109 7.459 1.00 74.23 C ATOM 538 CG1 VAL A 34 7.568 -8.362 8.679 1.00 12.41 C ATOM 539 CG2 VAL A 34 9.005 -8.169 6.553 1.00 51.44 C ATOM 0 H VAL A 34 9.193 -10.777 5.863 1.00 71.10 H new ATOM 0 HA VAL A 34 9.812 -9.994 8.580 1.00 64.12 H new ATOM 0 HB VAL A 34 7.329 -9.472 6.871 1.00 74.23 H new ATOM 0 HG11 VAL A 34 6.982 -7.511 8.331 1.00 12.41 H new ATOM 0 HG12 VAL A 34 6.925 -9.041 9.239 1.00 12.41 H new ATOM 0 HG13 VAL A 34 8.372 -8.009 9.324 1.00 12.41 H new ATOM 0 HG21 VAL A 34 8.395 -7.317 6.254 1.00 51.44 H new ATOM 0 HG22 VAL A 34 9.878 -7.815 7.101 1.00 51.44 H new ATOM 0 HG23 VAL A 34 9.329 -8.712 5.665 1.00 51.44 H new ATOM 549 N LEU A 35 7.126 -11.842 7.895 1.00 32.23 N ATOM 550 CA LEU A 35 6.223 -12.921 8.311 1.00 61.40 C ATOM 551 C LEU A 35 6.305 -14.030 7.237 1.00 51.42 C ATOM 552 O LEU A 35 6.595 -13.716 6.070 1.00 14.05 O ATOM 553 CB LEU A 35 4.761 -12.386 8.442 1.00 73.20 C ATOM 554 CG LEU A 35 4.565 -11.116 9.335 1.00 14.44 C ATOM 555 CD1 LEU A 35 3.091 -10.648 9.328 1.00 11.51 C ATOM 556 CD2 LEU A 35 5.092 -11.340 10.775 1.00 35.32 C ATOM 0 H LEU A 35 6.898 -11.464 6.975 1.00 32.23 H new ATOM 0 HA LEU A 35 6.514 -13.314 9.285 1.00 61.40 H new ATOM 0 HB2 LEU A 35 4.388 -12.162 7.443 1.00 73.20 H new ATOM 0 HB3 LEU A 35 4.139 -13.186 8.843 1.00 73.20 H new ATOM 0 HG LEU A 35 5.163 -10.315 8.901 1.00 14.44 H new ATOM 0 HD11 LEU A 35 2.987 -9.764 9.957 1.00 11.51 H new ATOM 0 HD12 LEU A 35 2.791 -10.405 8.309 1.00 11.51 H new ATOM 0 HD13 LEU A 35 2.454 -11.445 9.713 1.00 11.51 H new ATOM 0 HD21 LEU A 35 4.938 -10.436 11.364 1.00 35.32 H new ATOM 0 HD22 LEU A 35 4.553 -12.168 11.235 1.00 35.32 H new ATOM 0 HD23 LEU A 35 6.156 -11.574 10.741 1.00 35.32 H new ATOM 568 N PRO A 36 6.108 -15.338 7.597 1.00 11.15 N ATOM 569 CA PRO A 36 6.028 -16.445 6.606 1.00 43.51 C ATOM 570 C PRO A 36 4.763 -16.350 5.712 1.00 24.13 C ATOM 571 O PRO A 36 3.782 -17.076 5.905 1.00 62.03 O ATOM 572 CB PRO A 36 6.032 -17.732 7.497 1.00 23.10 C ATOM 573 CG PRO A 36 6.530 -17.271 8.838 1.00 31.24 C ATOM 574 CD PRO A 36 6.010 -15.860 8.983 1.00 43.14 C ATOM 0 HA PRO A 36 6.851 -16.427 5.891 1.00 43.51 H new ATOM 0 HB2 PRO A 36 5.034 -18.163 7.573 1.00 23.10 H new ATOM 0 HB3 PRO A 36 6.681 -18.501 7.078 1.00 23.10 H new ATOM 0 HG2 PRO A 36 6.160 -17.912 9.638 1.00 31.24 H new ATOM 0 HG3 PRO A 36 7.619 -17.297 8.885 1.00 31.24 H new ATOM 0 HD2 PRO A 36 4.985 -15.841 9.352 1.00 43.14 H new ATOM 0 HD3 PRO A 36 6.611 -15.276 9.680 1.00 43.14 H new ATOM 582 N LEU A 37 4.803 -15.413 4.749 1.00 44.23 N ATOM 583 CA LEU A 37 3.706 -15.181 3.799 1.00 63.13 C ATOM 584 C LEU A 37 3.809 -16.199 2.651 1.00 43.44 C ATOM 585 O LEU A 37 4.924 -16.525 2.215 1.00 33.44 O ATOM 586 CB LEU A 37 3.752 -13.716 3.287 1.00 71.30 C ATOM 587 CG LEU A 37 3.705 -12.621 4.402 1.00 62.44 C ATOM 588 CD1 LEU A 37 3.861 -11.208 3.803 1.00 2.52 C ATOM 589 CD2 LEU A 37 2.428 -12.747 5.277 1.00 75.22 C ATOM 0 H LEU A 37 5.601 -14.794 4.609 1.00 44.23 H new ATOM 0 HA LEU A 37 2.743 -15.322 4.290 1.00 63.13 H new ATOM 0 HB2 LEU A 37 4.663 -13.580 2.704 1.00 71.30 H new ATOM 0 HB3 LEU A 37 2.913 -13.558 2.609 1.00 71.30 H new ATOM 0 HG LEU A 37 4.555 -12.786 5.064 1.00 62.44 H new ATOM 0 HD11 LEU A 37 3.824 -10.468 4.602 1.00 2.52 H new ATOM 0 HD12 LEU A 37 4.817 -11.136 3.285 1.00 2.52 H new ATOM 0 HD13 LEU A 37 3.052 -11.020 3.098 1.00 2.52 H new ATOM 0 HD21 LEU A 37 2.432 -11.969 6.040 1.00 75.22 H new ATOM 0 HD22 LEU A 37 1.544 -12.635 4.649 1.00 75.22 H new ATOM 0 HD23 LEU A 37 2.411 -13.726 5.757 1.00 75.22 H new ATOM 601 N ALA A 38 2.645 -16.697 2.189 1.00 40.41 N ATOM 602 CA ALA A 38 2.564 -17.840 1.262 1.00 74.50 C ATOM 603 C ALA A 38 3.251 -17.531 -0.080 1.00 70.05 C ATOM 604 O ALA A 38 3.058 -16.454 -0.666 1.00 24.14 O ATOM 605 CB ALA A 38 1.104 -18.271 1.052 1.00 14.45 C ATOM 0 H ALA A 38 1.735 -16.317 2.449 1.00 40.41 H new ATOM 0 HA ALA A 38 3.101 -18.673 1.716 1.00 74.50 H new ATOM 0 HB1 ALA A 38 1.069 -19.116 0.364 1.00 14.45 H new ATOM 0 HB2 ALA A 38 0.670 -18.563 2.008 1.00 14.45 H new ATOM 0 HB3 ALA A 38 0.536 -17.440 0.634 1.00 14.45 H new ATOM 611 N ASP A 39 4.055 -18.505 -0.529 1.00 54.14 N ATOM 612 CA ASP A 39 4.934 -18.394 -1.703 1.00 53.44 C ATOM 613 C ASP A 39 4.182 -18.003 -2.991 1.00 1.34 C ATOM 614 O ASP A 39 3.058 -18.466 -3.242 1.00 43.14 O ATOM 615 CB ASP A 39 5.681 -19.735 -1.908 1.00 71.41 C ATOM 616 CG ASP A 39 6.625 -20.072 -0.742 1.00 1.22 C ATOM 617 OD1 ASP A 39 6.139 -20.515 0.323 1.00 45.35 O ATOM 618 OD2 ASP A 39 7.858 -19.903 -0.885 1.00 21.03 O ATOM 0 H ASP A 39 4.114 -19.416 -0.074 1.00 54.14 H new ATOM 0 HA ASP A 39 5.641 -17.588 -1.504 1.00 53.44 H new ATOM 0 HB2 ASP A 39 4.953 -20.538 -2.024 1.00 71.41 H new ATOM 0 HB3 ASP A 39 6.255 -19.689 -2.833 1.00 71.41 H new ATOM 623 N GLY A 40 4.834 -17.153 -3.798 1.00 72.53 N ATOM 624 CA GLY A 40 4.291 -16.684 -5.065 1.00 25.42 C ATOM 625 C GLY A 40 3.471 -15.410 -4.901 1.00 70.05 C ATOM 626 O GLY A 40 4.038 -14.328 -4.759 1.00 74.34 O ATOM 0 H GLY A 40 5.756 -16.775 -3.582 1.00 72.53 H new ATOM 0 HA2 GLY A 40 5.108 -16.502 -5.763 1.00 25.42 H new ATOM 0 HA3 GLY A 40 3.666 -17.463 -5.502 1.00 25.42 H new ATOM 630 N VAL A 41 2.136 -15.576 -4.880 1.00 32.25 N ATOM 631 CA VAL A 41 1.149 -14.468 -4.897 1.00 3.04 C ATOM 632 C VAL A 41 1.224 -13.545 -3.651 1.00 60.15 C ATOM 633 O VAL A 41 1.388 -12.339 -3.816 1.00 61.41 O ATOM 634 CB VAL A 41 -0.323 -15.015 -5.121 1.00 41.32 C ATOM 635 CG1 VAL A 41 -0.589 -16.282 -4.282 1.00 15.24 C ATOM 636 CG2 VAL A 41 -1.400 -13.917 -4.875 1.00 25.13 C ATOM 0 H VAL A 41 1.700 -16.498 -4.850 1.00 32.25 H new ATOM 0 HA VAL A 41 1.420 -13.841 -5.746 1.00 3.04 H new ATOM 0 HB VAL A 41 -0.403 -15.299 -6.170 1.00 41.32 H new ATOM 0 HG11 VAL A 41 -1.607 -16.629 -4.460 1.00 15.24 H new ATOM 0 HG12 VAL A 41 0.116 -17.062 -4.568 1.00 15.24 H new ATOM 0 HG13 VAL A 41 -0.465 -16.051 -3.224 1.00 15.24 H new ATOM 0 HG21 VAL A 41 -2.392 -14.337 -5.040 1.00 25.13 H new ATOM 0 HG22 VAL A 41 -1.325 -13.557 -3.849 1.00 25.13 H new ATOM 0 HG23 VAL A 41 -1.238 -13.088 -5.564 1.00 25.13 H new ATOM 646 N LEU A 42 1.111 -14.098 -2.422 1.00 14.15 N ATOM 647 CA LEU A 42 1.102 -13.282 -1.167 1.00 52.34 C ATOM 648 C LEU A 42 2.440 -12.504 -1.000 1.00 51.43 C ATOM 649 O LEU A 42 2.449 -11.340 -0.557 1.00 65.33 O ATOM 650 CB LEU A 42 0.816 -14.159 0.101 1.00 22.02 C ATOM 651 CG LEU A 42 -0.640 -14.739 0.301 1.00 10.44 C ATOM 652 CD1 LEU A 42 -1.714 -13.636 0.319 1.00 1.44 C ATOM 653 CD2 LEU A 42 -0.988 -15.837 -0.722 1.00 0.51 C ATOM 0 H LEU A 42 1.025 -15.102 -2.263 1.00 14.15 H new ATOM 0 HA LEU A 42 0.289 -12.562 -1.259 1.00 52.34 H new ATOM 0 HB2 LEU A 42 1.509 -15.000 0.086 1.00 22.02 H new ATOM 0 HB3 LEU A 42 1.059 -13.561 0.980 1.00 22.02 H new ATOM 0 HG LEU A 42 -0.638 -15.207 1.285 1.00 10.44 H new ATOM 0 HD11 LEU A 42 -2.696 -14.087 0.459 1.00 1.44 H new ATOM 0 HD12 LEU A 42 -1.512 -12.945 1.137 1.00 1.44 H new ATOM 0 HD13 LEU A 42 -1.695 -13.094 -0.627 1.00 1.44 H new ATOM 0 HD21 LEU A 42 -1.999 -16.199 -0.537 1.00 0.51 H new ATOM 0 HD22 LEU A 42 -0.928 -15.427 -1.730 1.00 0.51 H new ATOM 0 HD23 LEU A 42 -0.283 -16.663 -0.623 1.00 0.51 H new ATOM 665 N SER A 43 3.549 -13.175 -1.365 1.00 11.04 N ATOM 666 CA SER A 43 4.909 -12.589 -1.406 1.00 72.52 C ATOM 667 C SER A 43 4.997 -11.423 -2.421 1.00 11.33 C ATOM 668 O SER A 43 5.553 -10.343 -2.121 1.00 3.25 O ATOM 669 CB SER A 43 5.916 -13.698 -1.787 1.00 0.30 C ATOM 670 OG SER A 43 5.804 -14.809 -0.913 1.00 12.41 O ATOM 0 H SER A 43 3.528 -14.156 -1.645 1.00 11.04 H new ATOM 0 HA SER A 43 5.145 -12.184 -0.422 1.00 72.52 H new ATOM 0 HB2 SER A 43 5.738 -14.019 -2.813 1.00 0.30 H new ATOM 0 HB3 SER A 43 6.931 -13.302 -1.749 1.00 0.30 H new ATOM 0 HG SER A 43 6.450 -15.498 -1.175 1.00 12.41 H new ATOM 676 N PHE A 44 4.428 -11.665 -3.619 1.00 33.52 N ATOM 677 CA PHE A 44 4.385 -10.693 -4.724 1.00 73.12 C ATOM 678 C PHE A 44 3.657 -9.425 -4.273 1.00 52.35 C ATOM 679 O PHE A 44 4.171 -8.320 -4.442 1.00 74.32 O ATOM 680 CB PHE A 44 3.672 -11.322 -5.951 1.00 65.32 C ATOM 681 CG PHE A 44 3.560 -10.412 -7.175 1.00 12.12 C ATOM 682 CD1 PHE A 44 4.664 -10.187 -7.996 1.00 32.03 C ATOM 683 CD2 PHE A 44 2.347 -9.799 -7.521 1.00 3.21 C ATOM 684 CE1 PHE A 44 4.567 -9.379 -9.112 1.00 71.13 C ATOM 685 CE2 PHE A 44 2.253 -8.988 -8.638 1.00 44.11 C ATOM 686 CZ PHE A 44 3.363 -8.784 -9.436 1.00 12.15 C ATOM 0 H PHE A 44 3.980 -12.553 -3.847 1.00 33.52 H new ATOM 0 HA PHE A 44 5.403 -10.427 -5.010 1.00 73.12 H new ATOM 0 HB2 PHE A 44 4.208 -12.227 -6.238 1.00 65.32 H new ATOM 0 HB3 PHE A 44 2.669 -11.627 -5.652 1.00 65.32 H new ATOM 0 HD1 PHE A 44 5.609 -10.651 -7.756 1.00 32.03 H new ATOM 0 HD2 PHE A 44 1.474 -9.962 -6.907 1.00 3.21 H new ATOM 0 HE1 PHE A 44 5.435 -9.212 -9.733 1.00 71.13 H new ATOM 0 HE2 PHE A 44 1.314 -8.515 -8.886 1.00 44.11 H new ATOM 0 HZ PHE A 44 3.289 -8.159 -10.314 1.00 12.15 H new ATOM 696 N ILE A 45 2.483 -9.627 -3.646 1.00 34.53 N ATOM 697 CA ILE A 45 1.633 -8.544 -3.148 1.00 33.01 C ATOM 698 C ILE A 45 2.376 -7.732 -2.071 1.00 60.43 C ATOM 699 O ILE A 45 2.370 -6.510 -2.125 1.00 30.25 O ATOM 700 CB ILE A 45 0.281 -9.082 -2.555 1.00 41.43 C ATOM 701 CG1 ILE A 45 -0.537 -9.887 -3.619 1.00 45.11 C ATOM 702 CG2 ILE A 45 -0.555 -7.912 -1.989 1.00 35.02 C ATOM 703 CD1 ILE A 45 -1.730 -10.646 -3.054 1.00 12.32 C ATOM 0 H ILE A 45 2.100 -10.556 -3.472 1.00 34.53 H new ATOM 0 HA ILE A 45 1.399 -7.904 -3.998 1.00 33.01 H new ATOM 0 HB ILE A 45 0.520 -9.769 -1.743 1.00 41.43 H new ATOM 0 HG12 ILE A 45 -0.891 -9.197 -4.385 1.00 45.11 H new ATOM 0 HG13 ILE A 45 0.129 -10.596 -4.111 1.00 45.11 H new ATOM 0 HG21 ILE A 45 -1.490 -8.297 -1.581 1.00 35.02 H new ATOM 0 HG22 ILE A 45 0.007 -7.412 -1.200 1.00 35.02 H new ATOM 0 HG23 ILE A 45 -0.773 -7.201 -2.786 1.00 35.02 H new ATOM 0 HD11 ILE A 45 -2.239 -11.175 -3.859 1.00 12.32 H new ATOM 0 HD12 ILE A 45 -1.385 -11.364 -2.309 1.00 12.32 H new ATOM 0 HD13 ILE A 45 -2.421 -9.943 -2.588 1.00 12.32 H new ATOM 715 N HIS A 46 3.015 -8.436 -1.107 1.00 13.35 N ATOM 716 CA HIS A 46 3.855 -7.808 -0.053 1.00 41.42 C ATOM 717 C HIS A 46 4.906 -6.858 -0.680 1.00 11.22 C ATOM 718 O HIS A 46 5.086 -5.701 -0.214 1.00 32.04 O ATOM 719 CB HIS A 46 4.536 -8.919 0.793 1.00 42.53 C ATOM 720 CG HIS A 46 5.539 -8.471 1.837 1.00 34.53 C ATOM 721 ND1 HIS A 46 6.530 -9.307 2.304 1.00 21.10 N ATOM 722 CD2 HIS A 46 5.682 -7.315 2.543 1.00 1.32 C ATOM 723 CE1 HIS A 46 7.230 -8.695 3.236 1.00 11.44 C ATOM 724 NE2 HIS A 46 6.739 -7.485 3.405 1.00 31.44 N ATOM 0 H HIS A 46 2.965 -9.452 -1.036 1.00 13.35 H new ATOM 0 HA HIS A 46 3.222 -7.207 0.600 1.00 41.42 H new ATOM 0 HB2 HIS A 46 3.755 -9.488 1.296 1.00 42.53 H new ATOM 0 HB3 HIS A 46 5.040 -9.603 0.111 1.00 42.53 H new ATOM 0 HD2 HIS A 46 5.076 -6.427 2.444 1.00 1.32 H new ATOM 0 HE1 HIS A 46 8.068 -9.115 3.773 1.00 11.44 H new ATOM 0 HE2 HIS A 46 7.085 -6.789 4.066 1.00 31.44 H new ATOM 733 N HIS A 47 5.561 -7.342 -1.763 1.00 65.31 N ATOM 734 CA HIS A 47 6.538 -6.538 -2.513 1.00 33.22 C ATOM 735 C HIS A 47 5.865 -5.288 -3.106 1.00 72.33 C ATOM 736 O HIS A 47 6.378 -4.196 -2.933 1.00 53.44 O ATOM 737 CB HIS A 47 7.223 -7.336 -3.647 1.00 21.13 C ATOM 738 CG HIS A 47 8.336 -6.566 -4.326 1.00 21.04 C ATOM 739 ND1 HIS A 47 8.131 -5.596 -5.296 1.00 20.10 N ATOM 740 CD2 HIS A 47 9.670 -6.565 -4.100 1.00 23.03 C ATOM 741 CE1 HIS A 47 9.287 -5.058 -5.626 1.00 54.53 C ATOM 742 NE2 HIS A 47 10.235 -5.619 -4.912 1.00 71.55 N ATOM 0 H HIS A 47 5.426 -8.284 -2.131 1.00 65.31 H new ATOM 0 HA HIS A 47 7.309 -6.245 -1.800 1.00 33.22 H new ATOM 0 HB2 HIS A 47 7.627 -8.262 -3.239 1.00 21.13 H new ATOM 0 HB3 HIS A 47 6.476 -7.614 -4.390 1.00 21.13 H new ATOM 0 HD1 HIS A 47 7.227 -5.339 -5.692 1.00 20.10 H new ATOM 0 HD2 HIS A 47 10.196 -7.199 -3.402 1.00 23.03 H new ATOM 0 HE1 HIS A 47 9.431 -4.282 -6.363 1.00 54.53 H new ATOM 751 N GLN A 48 4.707 -5.478 -3.788 1.00 52.03 N ATOM 752 CA GLN A 48 3.952 -4.374 -4.446 1.00 71.51 C ATOM 753 C GLN A 48 3.519 -3.306 -3.429 1.00 44.21 C ATOM 754 O GLN A 48 3.506 -2.116 -3.740 1.00 34.31 O ATOM 755 CB GLN A 48 2.679 -4.897 -5.176 1.00 20.43 C ATOM 756 CG GLN A 48 2.899 -6.049 -6.167 1.00 22.54 C ATOM 757 CD GLN A 48 3.903 -5.725 -7.270 1.00 44.01 C ATOM 758 OE1 GLN A 48 5.103 -5.987 -7.136 1.00 14.24 O ATOM 759 NE2 GLN A 48 3.415 -5.159 -8.365 1.00 52.23 N ATOM 0 H GLN A 48 4.270 -6.393 -3.899 1.00 52.03 H new ATOM 0 HA GLN A 48 4.633 -3.935 -5.175 1.00 71.51 H new ATOM 0 HB2 GLN A 48 1.961 -5.223 -4.424 1.00 20.43 H new ATOM 0 HB3 GLN A 48 2.223 -4.064 -5.712 1.00 20.43 H new ATOM 0 HG2 GLN A 48 3.244 -6.926 -5.620 1.00 22.54 H new ATOM 0 HG3 GLN A 48 1.944 -6.312 -6.622 1.00 22.54 H new ATOM 0 HE21 GLN A 48 2.417 -4.960 -8.435 1.00 52.23 H new ATOM 0 HE22 GLN A 48 4.037 -4.923 -9.138 1.00 52.23 H new ATOM 768 N ILE A 49 3.159 -3.761 -2.216 1.00 75.34 N ATOM 769 CA ILE A 49 2.724 -2.883 -1.126 1.00 32.42 C ATOM 770 C ILE A 49 3.888 -1.995 -0.682 1.00 35.53 C ATOM 771 O ILE A 49 3.758 -0.779 -0.704 1.00 11.32 O ATOM 772 CB ILE A 49 2.148 -3.698 0.096 1.00 42.23 C ATOM 773 CG1 ILE A 49 0.844 -4.452 -0.319 1.00 2.23 C ATOM 774 CG2 ILE A 49 1.887 -2.782 1.322 1.00 30.55 C ATOM 775 CD1 ILE A 49 0.346 -5.462 0.701 1.00 45.03 C ATOM 0 H ILE A 49 3.163 -4.750 -1.968 1.00 75.34 H new ATOM 0 HA ILE A 49 1.914 -2.257 -1.501 1.00 32.42 H new ATOM 0 HB ILE A 49 2.898 -4.432 0.391 1.00 42.23 H new ATOM 0 HG12 ILE A 49 0.058 -3.719 -0.499 1.00 2.23 H new ATOM 0 HG13 ILE A 49 1.022 -4.966 -1.263 1.00 2.23 H new ATOM 0 HG21 ILE A 49 1.491 -3.378 2.144 1.00 30.55 H new ATOM 0 HG22 ILE A 49 2.821 -2.313 1.631 1.00 30.55 H new ATOM 0 HG23 ILE A 49 1.166 -2.011 1.053 1.00 30.55 H new ATOM 0 HD11 ILE A 49 -0.562 -5.937 0.330 1.00 45.03 H new ATOM 0 HD12 ILE A 49 1.111 -6.221 0.865 1.00 45.03 H new ATOM 0 HD13 ILE A 49 0.131 -4.954 1.641 1.00 45.03 H new ATOM 787 N ILE A 50 5.040 -2.614 -0.327 1.00 72.03 N ATOM 788 CA ILE A 50 6.222 -1.848 0.159 1.00 52.35 C ATOM 789 C ILE A 50 6.789 -0.933 -0.962 1.00 34.03 C ATOM 790 O ILE A 50 7.171 0.218 -0.712 1.00 41.23 O ATOM 791 CB ILE A 50 7.342 -2.809 0.722 1.00 64.22 C ATOM 792 CG1 ILE A 50 6.770 -3.693 1.878 1.00 23.32 C ATOM 793 CG2 ILE A 50 8.600 -2.020 1.188 1.00 74.24 C ATOM 794 CD1 ILE A 50 6.180 -2.917 3.051 1.00 43.02 C ATOM 0 H ILE A 50 5.179 -3.624 -0.365 1.00 72.03 H new ATOM 0 HA ILE A 50 5.889 -1.214 0.980 1.00 52.35 H new ATOM 0 HB ILE A 50 7.659 -3.463 -0.090 1.00 64.22 H new ATOM 0 HG12 ILE A 50 5.999 -4.345 1.469 1.00 23.32 H new ATOM 0 HG13 ILE A 50 7.567 -4.336 2.251 1.00 23.32 H new ATOM 0 HG21 ILE A 50 9.347 -2.717 1.568 1.00 74.24 H new ATOM 0 HG22 ILE A 50 9.016 -1.467 0.345 1.00 74.24 H new ATOM 0 HG23 ILE A 50 8.320 -1.322 1.977 1.00 74.24 H new ATOM 0 HD11 ILE A 50 5.810 -3.616 3.801 1.00 43.02 H new ATOM 0 HD12 ILE A 50 6.950 -2.285 3.493 1.00 43.02 H new ATOM 0 HD13 ILE A 50 5.358 -2.294 2.699 1.00 43.02 H new ATOM 806 N GLU A 51 6.765 -1.460 -2.197 1.00 4.52 N ATOM 807 CA GLU A 51 7.249 -0.786 -3.422 1.00 72.24 C ATOM 808 C GLU A 51 6.459 0.508 -3.685 1.00 44.00 C ATOM 809 O GLU A 51 7.028 1.606 -3.698 1.00 50.41 O ATOM 810 CB GLU A 51 7.099 -1.776 -4.613 1.00 30.22 C ATOM 811 CG GLU A 51 7.429 -1.236 -6.026 1.00 51.01 C ATOM 812 CD GLU A 51 7.232 -2.268 -7.170 1.00 24.31 C ATOM 813 OE1 GLU A 51 6.742 -3.398 -6.925 1.00 73.13 O ATOM 814 OE2 GLU A 51 7.572 -1.947 -8.328 1.00 24.01 O ATOM 0 H GLU A 51 6.398 -2.394 -2.380 1.00 4.52 H new ATOM 0 HA GLU A 51 8.295 -0.506 -3.301 1.00 72.24 H new ATOM 0 HB2 GLU A 51 7.741 -2.636 -4.421 1.00 30.22 H new ATOM 0 HB3 GLU A 51 6.072 -2.141 -4.622 1.00 30.22 H new ATOM 0 HG2 GLU A 51 6.802 -0.367 -6.225 1.00 51.01 H new ATOM 0 HG3 GLU A 51 8.463 -0.892 -6.038 1.00 51.01 H new ATOM 821 N LEU A 52 5.132 0.360 -3.841 1.00 55.53 N ATOM 822 CA LEU A 52 4.234 1.466 -4.211 1.00 73.43 C ATOM 823 C LEU A 52 3.917 2.363 -3.006 1.00 32.14 C ATOM 824 O LEU A 52 3.462 3.492 -3.195 1.00 14.13 O ATOM 825 CB LEU A 52 2.934 0.920 -4.861 1.00 40.22 C ATOM 826 CG LEU A 52 3.122 0.072 -6.159 1.00 31.24 C ATOM 827 CD1 LEU A 52 1.757 -0.385 -6.729 1.00 71.32 C ATOM 828 CD2 LEU A 52 3.962 0.841 -7.205 1.00 12.33 C ATOM 0 H LEU A 52 4.652 -0.531 -3.714 1.00 55.53 H new ATOM 0 HA LEU A 52 4.750 2.084 -4.946 1.00 73.43 H new ATOM 0 HB2 LEU A 52 2.412 0.310 -4.124 1.00 40.22 H new ATOM 0 HB3 LEU A 52 2.285 1.764 -5.093 1.00 40.22 H new ATOM 0 HG LEU A 52 3.677 -0.830 -5.901 1.00 31.24 H new ATOM 0 HD11 LEU A 52 1.918 -0.973 -7.632 1.00 71.32 H new ATOM 0 HD12 LEU A 52 1.238 -0.993 -5.988 1.00 71.32 H new ATOM 0 HD13 LEU A 52 1.152 0.489 -6.969 1.00 71.32 H new ATOM 0 HD21 LEU A 52 4.078 0.229 -8.099 1.00 12.33 H new ATOM 0 HD22 LEU A 52 3.457 1.771 -7.465 1.00 12.33 H new ATOM 0 HD23 LEU A 52 4.944 1.066 -6.789 1.00 12.33 H new ATOM 840 N ALA A 53 4.149 1.852 -1.775 1.00 40.02 N ATOM 841 CA ALA A 53 4.085 2.679 -0.552 1.00 53.34 C ATOM 842 C ALA A 53 5.258 3.659 -0.541 1.00 54.05 C ATOM 843 O ALA A 53 5.062 4.856 -0.351 1.00 63.11 O ATOM 844 CB ALA A 53 4.095 1.831 0.731 1.00 33.31 C ATOM 0 H ALA A 53 4.381 0.874 -1.604 1.00 40.02 H new ATOM 0 HA ALA A 53 3.140 3.222 -0.568 1.00 53.34 H new ATOM 0 HB1 ALA A 53 4.046 2.486 1.601 1.00 33.31 H new ATOM 0 HB2 ALA A 53 3.234 1.162 0.732 1.00 33.31 H new ATOM 0 HB3 ALA A 53 5.012 1.242 0.771 1.00 33.31 H new ATOM 850 N ARG A 54 6.479 3.133 -0.779 1.00 51.32 N ATOM 851 CA ARG A 54 7.707 3.953 -0.819 1.00 14.32 C ATOM 852 C ARG A 54 7.761 4.842 -2.081 1.00 41.44 C ATOM 853 O ARG A 54 8.391 5.903 -2.064 1.00 22.14 O ATOM 854 CB ARG A 54 8.976 3.070 -0.693 1.00 11.12 C ATOM 855 CG ARG A 54 9.129 2.380 0.688 1.00 11.33 C ATOM 856 CD ARG A 54 10.492 1.682 0.861 1.00 3.32 C ATOM 857 NE ARG A 54 11.613 2.626 0.672 1.00 31.00 N ATOM 858 CZ ARG A 54 12.078 3.488 1.597 1.00 73.41 C ATOM 859 NH1 ARG A 54 11.546 3.555 2.814 1.00 51.21 N ATOM 860 NH2 ARG A 54 13.080 4.293 1.293 1.00 45.10 N ATOM 0 H ARG A 54 6.640 2.140 -0.947 1.00 51.32 H new ATOM 0 HA ARG A 54 7.681 4.620 0.043 1.00 14.32 H new ATOM 0 HB2 ARG A 54 8.953 2.305 -1.469 1.00 11.12 H new ATOM 0 HB3 ARG A 54 9.855 3.687 -0.879 1.00 11.12 H new ATOM 0 HG2 ARG A 54 9.004 3.123 1.476 1.00 11.33 H new ATOM 0 HG3 ARG A 54 8.332 1.647 0.813 1.00 11.33 H new ATOM 0 HD2 ARG A 54 10.552 1.240 1.855 1.00 3.32 H new ATOM 0 HD3 ARG A 54 10.578 0.866 0.143 1.00 3.32 H new ATOM 0 HE ARG A 54 12.075 2.625 -0.238 1.00 31.00 H new ATOM 0 HH11 ARG A 54 10.768 2.945 3.065 1.00 51.21 H new ATOM 0 HH12 ARG A 54 11.916 4.216 3.497 1.00 51.21 H new ATOM 0 HH21 ARG A 54 13.497 4.260 0.363 1.00 45.10 H new ATOM 0 HH22 ARG A 54 13.437 4.948 1.989 1.00 45.10 H new ATOM 874 N ASP A 55 7.072 4.420 -3.157 1.00 64.35 N ATOM 875 CA ASP A 55 6.927 5.238 -4.381 1.00 4.14 C ATOM 876 C ASP A 55 5.941 6.395 -4.129 1.00 13.42 C ATOM 877 O ASP A 55 6.187 7.535 -4.547 1.00 13.32 O ATOM 878 CB ASP A 55 6.465 4.370 -5.579 1.00 64.12 C ATOM 879 CG ASP A 55 6.368 5.174 -6.893 1.00 1.55 C ATOM 880 OD1 ASP A 55 7.386 5.779 -7.312 1.00 11.32 O ATOM 881 OD2 ASP A 55 5.296 5.197 -7.529 1.00 65.30 O ATOM 0 H ASP A 55 6.605 3.515 -3.206 1.00 64.35 H new ATOM 0 HA ASP A 55 7.901 5.658 -4.634 1.00 4.14 H new ATOM 0 HB2 ASP A 55 7.162 3.543 -5.714 1.00 64.12 H new ATOM 0 HB3 ASP A 55 5.493 3.933 -5.352 1.00 64.12 H new ATOM 886 N CYS A 56 4.839 6.079 -3.411 1.00 41.13 N ATOM 887 CA CYS A 56 3.865 7.086 -2.922 1.00 25.33 C ATOM 888 C CYS A 56 4.548 8.059 -1.959 1.00 50.10 C ATOM 889 O CYS A 56 4.256 9.252 -1.959 1.00 20.33 O ATOM 890 CB CYS A 56 2.668 6.406 -2.212 1.00 2.23 C ATOM 891 SG CYS A 56 1.389 7.551 -1.636 1.00 62.32 S ATOM 0 H CYS A 56 4.599 5.122 -3.154 1.00 41.13 H new ATOM 0 HA CYS A 56 3.489 7.635 -3.786 1.00 25.33 H new ATOM 0 HB2 CYS A 56 2.215 5.689 -2.897 1.00 2.23 H new ATOM 0 HB3 CYS A 56 3.042 5.839 -1.359 1.00 2.23 H new ATOM 0 HG CYS A 56 0.720 8.003 -2.655 1.00 62.32 H new ATOM 897 N LEU A 57 5.489 7.510 -1.176 1.00 42.01 N ATOM 898 CA LEU A 57 6.276 8.244 -0.185 1.00 11.12 C ATOM 899 C LEU A 57 7.217 9.248 -0.863 1.00 60.55 C ATOM 900 O LEU A 57 7.300 10.395 -0.440 1.00 45.42 O ATOM 901 CB LEU A 57 7.081 7.230 0.665 1.00 73.41 C ATOM 902 CG LEU A 57 7.916 7.802 1.839 1.00 51.11 C ATOM 903 CD1 LEU A 57 7.005 8.492 2.861 1.00 24.34 C ATOM 904 CD2 LEU A 57 8.776 6.693 2.491 1.00 34.12 C ATOM 0 H LEU A 57 5.726 6.519 -1.219 1.00 42.01 H new ATOM 0 HA LEU A 57 5.604 8.811 0.459 1.00 11.12 H new ATOM 0 HB2 LEU A 57 6.382 6.498 1.071 1.00 73.41 H new ATOM 0 HB3 LEU A 57 7.756 6.691 0.000 1.00 73.41 H new ATOM 0 HG LEU A 57 8.600 8.555 1.447 1.00 51.11 H new ATOM 0 HD11 LEU A 57 7.609 8.887 3.678 1.00 24.34 H new ATOM 0 HD12 LEU A 57 6.469 9.309 2.378 1.00 24.34 H new ATOM 0 HD13 LEU A 57 6.289 7.771 3.255 1.00 24.34 H new ATOM 0 HD21 LEU A 57 9.354 7.116 3.312 1.00 34.12 H new ATOM 0 HD22 LEU A 57 8.126 5.906 2.873 1.00 34.12 H new ATOM 0 HD23 LEU A 57 9.455 6.275 1.748 1.00 34.12 H new ATOM 916 N THR A 58 7.914 8.798 -1.927 1.00 10.11 N ATOM 917 CA THR A 58 8.865 9.639 -2.678 1.00 41.25 C ATOM 918 C THR A 58 8.144 10.636 -3.608 1.00 33.41 C ATOM 919 O THR A 58 8.697 11.693 -3.942 1.00 41.22 O ATOM 920 CB THR A 58 9.892 8.758 -3.461 1.00 3.30 C ATOM 921 OG1 THR A 58 9.213 7.793 -4.292 1.00 11.53 O ATOM 922 CG2 THR A 58 10.845 8.023 -2.497 1.00 60.33 C ATOM 0 H THR A 58 7.833 7.847 -2.287 1.00 10.11 H new ATOM 0 HA THR A 58 9.420 10.233 -1.953 1.00 41.25 H new ATOM 0 HB THR A 58 10.477 9.426 -4.093 1.00 3.30 H new ATOM 0 HG1 THR A 58 8.253 7.989 -4.303 1.00 11.53 H new ATOM 0 HG21 THR A 58 11.548 7.418 -3.071 1.00 60.33 H new ATOM 0 HG22 THR A 58 11.395 8.753 -1.903 1.00 60.33 H new ATOM 0 HG23 THR A 58 10.267 7.378 -1.835 1.00 60.33 H new ATOM 930 N LYS A 59 6.899 10.308 -4.004 1.00 32.12 N ATOM 931 CA LYS A 59 6.033 11.248 -4.741 1.00 4.11 C ATOM 932 C LYS A 59 5.398 12.271 -3.771 1.00 13.44 C ATOM 933 O LYS A 59 5.104 13.403 -4.161 1.00 12.51 O ATOM 934 CB LYS A 59 4.949 10.489 -5.565 1.00 51.14 C ATOM 935 CG LYS A 59 5.478 9.836 -6.870 1.00 44.33 C ATOM 936 CD LYS A 59 4.368 9.101 -7.664 1.00 71.13 C ATOM 937 CE LYS A 59 4.822 8.634 -9.066 1.00 50.14 C ATOM 938 NZ LYS A 59 5.992 7.714 -9.030 1.00 15.31 N ATOM 0 H LYS A 59 6.471 9.400 -3.826 1.00 32.12 H new ATOM 0 HA LYS A 59 6.650 11.798 -5.452 1.00 4.11 H new ATOM 0 HB2 LYS A 59 4.509 9.714 -4.937 1.00 51.14 H new ATOM 0 HB3 LYS A 59 4.150 11.185 -5.819 1.00 51.14 H new ATOM 0 HG2 LYS A 59 5.922 10.605 -7.502 1.00 44.33 H new ATOM 0 HG3 LYS A 59 6.270 9.130 -6.623 1.00 44.33 H new ATOM 0 HD2 LYS A 59 4.035 8.236 -7.091 1.00 71.13 H new ATOM 0 HD3 LYS A 59 3.509 9.763 -7.770 1.00 71.13 H new ATOM 0 HE2 LYS A 59 3.990 8.134 -9.562 1.00 50.14 H new ATOM 0 HE3 LYS A 59 5.073 9.507 -9.668 1.00 50.14 H new ATOM 0 HZ1 LYS A 59 6.352 7.572 -9.995 1.00 15.31 H new ATOM 0 HZ2 LYS A 59 6.741 8.128 -8.438 1.00 15.31 H new ATOM 0 HZ3 LYS A 59 5.702 6.799 -8.631 1.00 15.31 H new ATOM 952 N SER A 60 5.195 11.857 -2.509 1.00 4.33 N ATOM 953 CA SER A 60 4.704 12.748 -1.427 1.00 51.23 C ATOM 954 C SER A 60 5.844 13.621 -0.884 1.00 11.32 C ATOM 955 O SER A 60 5.615 14.721 -0.380 1.00 55.14 O ATOM 956 CB SER A 60 4.102 11.902 -0.283 1.00 53.14 C ATOM 957 OG SER A 60 3.558 12.712 0.747 1.00 32.22 O ATOM 0 H SER A 60 5.364 10.899 -2.204 1.00 4.33 H new ATOM 0 HA SER A 60 3.934 13.400 -1.839 1.00 51.23 H new ATOM 0 HB2 SER A 60 3.323 11.253 -0.683 1.00 53.14 H new ATOM 0 HB3 SER A 60 4.873 11.255 0.134 1.00 53.14 H new ATOM 0 HG SER A 60 4.095 13.527 0.840 1.00 32.22 H new ATOM 963 N ARG A 61 7.074 13.097 -1.014 1.00 44.12 N ATOM 964 CA ARG A 61 8.294 13.713 -0.476 1.00 60.43 C ATOM 965 C ARG A 61 8.558 15.062 -1.156 1.00 0.04 C ATOM 966 O ARG A 61 8.815 16.069 -0.490 1.00 21.10 O ATOM 967 CB ARG A 61 9.486 12.747 -0.713 1.00 64.31 C ATOM 968 CG ARG A 61 10.781 13.091 0.040 1.00 14.45 C ATOM 969 CD ARG A 61 11.900 12.050 -0.204 1.00 22.22 C ATOM 970 NE ARG A 61 13.002 12.212 0.754 1.00 43.24 N ATOM 971 CZ ARG A 61 14.179 11.569 0.718 1.00 32.34 C ATOM 972 NH1 ARG A 61 14.470 10.699 -0.254 1.00 23.20 N ATOM 973 NH2 ARG A 61 15.047 11.763 1.703 1.00 43.33 N ATOM 0 H ARG A 61 7.249 12.220 -1.504 1.00 44.12 H new ATOM 0 HA ARG A 61 8.173 13.893 0.592 1.00 60.43 H new ATOM 0 HB2 ARG A 61 9.177 11.741 -0.428 1.00 64.31 H new ATOM 0 HB3 ARG A 61 9.704 12.723 -1.781 1.00 64.31 H new ATOM 0 HG2 ARG A 61 11.130 14.075 -0.273 1.00 14.45 H new ATOM 0 HG3 ARG A 61 10.572 13.152 1.108 1.00 14.45 H new ATOM 0 HD2 ARG A 61 11.488 11.044 -0.120 1.00 22.22 H new ATOM 0 HD3 ARG A 61 12.281 12.155 -1.220 1.00 22.22 H new ATOM 0 HE ARG A 61 12.859 12.874 1.517 1.00 43.24 H new ATOM 0 HH11 ARG A 61 13.790 10.511 -0.991 1.00 23.20 H new ATOM 0 HH12 ARG A 61 15.372 10.223 -0.259 1.00 23.20 H new ATOM 0 HH21 ARG A 61 14.814 12.393 2.471 1.00 43.33 H new ATOM 0 HH22 ARG A 61 15.947 11.282 1.692 1.00 43.33 H new ATOM 987 N ASP A 62 8.464 15.054 -2.498 1.00 5.52 N ATOM 988 CA ASP A 62 8.724 16.243 -3.334 1.00 50.22 C ATOM 989 C ASP A 62 7.406 16.854 -3.860 1.00 65.43 C ATOM 990 O ASP A 62 7.432 17.867 -4.571 1.00 2.10 O ATOM 991 CB ASP A 62 9.683 15.862 -4.489 1.00 51.20 C ATOM 992 CG ASP A 62 11.002 15.249 -3.964 1.00 43.15 C ATOM 993 OD1 ASP A 62 11.840 15.993 -3.406 1.00 61.11 O ATOM 994 OD2 ASP A 62 11.199 14.018 -4.081 1.00 10.30 O ATOM 0 H ASP A 62 8.206 14.225 -3.034 1.00 5.52 H new ATOM 0 HA ASP A 62 9.203 17.010 -2.726 1.00 50.22 H new ATOM 0 HB2 ASP A 62 9.190 15.150 -5.151 1.00 51.20 H new ATOM 0 HB3 ASP A 62 9.906 16.748 -5.083 1.00 51.20 H new ATOM 999 N GLY A 63 6.267 16.215 -3.491 1.00 74.24 N ATOM 1000 CA GLY A 63 4.916 16.732 -3.762 1.00 61.24 C ATOM 1001 C GLY A 63 4.581 16.884 -5.247 1.00 32.22 C ATOM 1002 O GLY A 63 4.285 17.992 -5.715 1.00 52.34 O ATOM 0 H GLY A 63 6.268 15.323 -2.995 1.00 74.24 H new ATOM 0 HA2 GLY A 63 4.186 16.064 -3.304 1.00 61.24 H new ATOM 0 HA3 GLY A 63 4.808 17.702 -3.277 1.00 61.24 H new ATOM 1006 N LEU A 64 4.629 15.765 -5.988 1.00 15.00 N ATOM 1007 CA LEU A 64 4.314 15.726 -7.437 1.00 71.11 C ATOM 1008 C LEU A 64 3.325 14.572 -7.731 1.00 72.03 C ATOM 1009 O LEU A 64 3.438 13.838 -8.725 1.00 21.53 O ATOM 1010 CB LEU A 64 5.629 15.648 -8.298 1.00 51.52 C ATOM 1011 CG LEU A 64 6.513 14.344 -8.216 1.00 32.34 C ATOM 1012 CD1 LEU A 64 7.702 14.413 -9.205 1.00 2.44 C ATOM 1013 CD2 LEU A 64 7.013 14.060 -6.785 1.00 73.13 C ATOM 0 H LEU A 64 4.887 14.856 -5.604 1.00 15.00 H new ATOM 0 HA LEU A 64 3.820 16.654 -7.726 1.00 71.11 H new ATOM 0 HB2 LEU A 64 5.350 15.793 -9.342 1.00 51.52 H new ATOM 0 HB3 LEU A 64 6.259 16.492 -8.017 1.00 51.52 H new ATOM 0 HG LEU A 64 5.869 13.512 -8.503 1.00 32.34 H new ATOM 0 HD11 LEU A 64 8.294 13.501 -9.127 1.00 2.44 H new ATOM 0 HD12 LEU A 64 7.324 14.514 -10.222 1.00 2.44 H new ATOM 0 HD13 LEU A 64 8.327 15.273 -8.963 1.00 2.44 H new ATOM 0 HD21 LEU A 64 7.616 13.152 -6.784 1.00 73.13 H new ATOM 0 HD22 LEU A 64 7.618 14.898 -6.438 1.00 73.13 H new ATOM 0 HD23 LEU A 64 6.159 13.929 -6.120 1.00 73.13 H new ATOM 1025 N ILE A 65 2.321 14.456 -6.841 1.00 3.30 N ATOM 1026 CA ILE A 65 1.233 13.467 -6.968 1.00 54.23 C ATOM 1027 C ILE A 65 0.039 14.075 -7.738 1.00 5.50 C ATOM 1028 O ILE A 65 -0.392 15.200 -7.451 1.00 24.55 O ATOM 1029 CB ILE A 65 0.716 12.960 -5.557 1.00 55.32 C ATOM 1030 CG1 ILE A 65 1.888 12.484 -4.650 1.00 71.55 C ATOM 1031 CG2 ILE A 65 -0.312 11.816 -5.740 1.00 44.32 C ATOM 1032 CD1 ILE A 65 1.477 12.014 -3.256 1.00 33.22 C ATOM 0 H ILE A 65 2.241 15.046 -6.013 1.00 3.30 H new ATOM 0 HA ILE A 65 1.645 12.618 -7.513 1.00 54.23 H new ATOM 0 HB ILE A 65 0.233 13.803 -5.063 1.00 55.32 H new ATOM 0 HG12 ILE A 65 2.408 11.669 -5.153 1.00 71.55 H new ATOM 0 HG13 ILE A 65 2.602 13.301 -4.546 1.00 71.55 H new ATOM 0 HG21 ILE A 65 -0.658 11.478 -4.763 1.00 44.32 H new ATOM 0 HG22 ILE A 65 -1.161 12.179 -6.320 1.00 44.32 H new ATOM 0 HG23 ILE A 65 0.158 10.985 -6.266 1.00 44.32 H new ATOM 0 HD11 ILE A 65 2.362 11.703 -2.701 1.00 33.22 H new ATOM 0 HD12 ILE A 65 0.986 12.830 -2.727 1.00 33.22 H new ATOM 0 HD13 ILE A 65 0.790 11.173 -3.344 1.00 33.22 H new ATOM 1044 N THR A 66 -0.473 13.310 -8.714 1.00 75.14 N ATOM 1045 CA THR A 66 -1.748 13.584 -9.400 1.00 61.10 C ATOM 1046 C THR A 66 -2.834 12.636 -8.843 1.00 72.23 C ATOM 1047 O THR A 66 -2.508 11.598 -8.245 1.00 64.34 O ATOM 1048 CB THR A 66 -1.584 13.413 -10.949 1.00 51.32 C ATOM 1049 OG1 THR A 66 -0.889 12.183 -11.240 1.00 34.40 O ATOM 1050 CG2 THR A 66 -0.825 14.600 -11.577 1.00 42.02 C ATOM 0 H THR A 66 -0.006 12.470 -9.055 1.00 75.14 H new ATOM 0 HA THR A 66 -2.051 14.615 -9.216 1.00 61.10 H new ATOM 0 HB THR A 66 -2.583 13.383 -11.385 1.00 51.32 H new ATOM 0 HG1 THR A 66 -0.792 12.083 -12.210 1.00 34.40 H new ATOM 0 HG21 THR A 66 -0.732 14.444 -12.652 1.00 42.02 H new ATOM 0 HG22 THR A 66 -1.374 15.523 -11.390 1.00 42.02 H new ATOM 0 HG23 THR A 66 0.168 14.673 -11.133 1.00 42.02 H new ATOM 1058 N THR A 67 -4.121 12.985 -9.044 1.00 3.44 N ATOM 1059 CA THR A 67 -5.242 12.273 -8.391 1.00 74.03 C ATOM 1060 C THR A 67 -5.453 10.860 -8.977 1.00 73.32 C ATOM 1061 O THR A 67 -5.999 9.979 -8.293 1.00 34.12 O ATOM 1062 CB THR A 67 -6.578 13.084 -8.442 1.00 12.04 C ATOM 1063 OG1 THR A 67 -7.565 12.452 -7.604 1.00 24.14 O ATOM 1064 CG2 THR A 67 -7.139 13.208 -9.864 1.00 25.42 C ATOM 0 H THR A 67 -4.411 13.752 -9.651 1.00 3.44 H new ATOM 0 HA THR A 67 -4.956 12.169 -7.344 1.00 74.03 H new ATOM 0 HB THR A 67 -6.353 14.088 -8.083 1.00 12.04 H new ATOM 0 HG1 THR A 67 -8.012 11.739 -8.106 1.00 24.14 H new ATOM 0 HG21 THR A 67 -8.067 13.780 -9.841 1.00 25.42 H new ATOM 0 HG22 THR A 67 -6.414 13.718 -10.498 1.00 25.42 H new ATOM 0 HG23 THR A 67 -7.336 12.214 -10.265 1.00 25.42 H new ATOM 1072 N VAL A 68 -5.002 10.647 -10.241 1.00 24.14 N ATOM 1073 CA VAL A 68 -5.086 9.327 -10.914 1.00 41.10 C ATOM 1074 C VAL A 68 -4.244 8.281 -10.159 1.00 25.24 C ATOM 1075 O VAL A 68 -4.627 7.113 -10.094 1.00 73.11 O ATOM 1076 CB VAL A 68 -4.641 9.397 -12.433 1.00 21.53 C ATOM 1077 CG1 VAL A 68 -4.713 8.010 -13.136 1.00 25.15 C ATOM 1078 CG2 VAL A 68 -5.477 10.452 -13.202 1.00 31.20 C ATOM 0 H VAL A 68 -4.576 11.375 -10.814 1.00 24.14 H new ATOM 0 HA VAL A 68 -6.133 9.025 -10.896 1.00 41.10 H new ATOM 0 HB VAL A 68 -3.595 9.704 -12.446 1.00 21.53 H new ATOM 0 HG11 VAL A 68 -4.398 8.112 -14.175 1.00 25.15 H new ATOM 0 HG12 VAL A 68 -4.054 7.308 -12.624 1.00 25.15 H new ATOM 0 HG13 VAL A 68 -5.737 7.638 -13.102 1.00 25.15 H new ATOM 0 HG21 VAL A 68 -5.155 10.483 -14.243 1.00 31.20 H new ATOM 0 HG22 VAL A 68 -6.532 10.183 -13.157 1.00 31.20 H new ATOM 0 HG23 VAL A 68 -5.332 11.432 -12.748 1.00 31.20 H new ATOM 1088 N TYR A 69 -3.135 8.742 -9.536 1.00 4.31 N ATOM 1089 CA TYR A 69 -2.198 7.883 -8.784 1.00 64.24 C ATOM 1090 C TYR A 69 -2.898 7.202 -7.582 1.00 43.41 C ATOM 1091 O TYR A 69 -2.592 6.050 -7.248 1.00 5.24 O ATOM 1092 CB TYR A 69 -0.975 8.721 -8.312 1.00 42.12 C ATOM 1093 CG TYR A 69 0.117 7.901 -7.608 1.00 62.44 C ATOM 1094 CD1 TYR A 69 0.964 7.060 -8.336 1.00 32.11 C ATOM 1095 CD2 TYR A 69 0.293 7.954 -6.221 1.00 3.00 C ATOM 1096 CE1 TYR A 69 1.935 6.305 -7.710 1.00 11.11 C ATOM 1097 CE2 TYR A 69 1.266 7.204 -5.597 1.00 35.14 C ATOM 1098 CZ TYR A 69 2.083 6.382 -6.343 1.00 32.34 C ATOM 1099 OH TYR A 69 3.036 5.613 -5.712 1.00 23.12 O ATOM 0 H TYR A 69 -2.866 9.726 -9.542 1.00 4.31 H new ATOM 0 HA TYR A 69 -1.849 7.092 -9.447 1.00 64.24 H new ATOM 0 HB2 TYR A 69 -0.537 9.222 -9.175 1.00 42.12 H new ATOM 0 HB3 TYR A 69 -1.323 9.500 -7.634 1.00 42.12 H new ATOM 0 HD1 TYR A 69 0.856 7.000 -9.409 1.00 32.11 H new ATOM 0 HD2 TYR A 69 -0.345 8.594 -5.629 1.00 3.00 H new ATOM 0 HE1 TYR A 69 2.576 5.657 -8.289 1.00 11.11 H new ATOM 0 HE2 TYR A 69 1.388 7.260 -4.525 1.00 35.14 H new ATOM 0 HH TYR A 69 3.794 5.470 -6.317 1.00 23.12 H new ATOM 1109 N PHE A 70 -3.851 7.922 -6.959 1.00 61.32 N ATOM 1110 CA PHE A 70 -4.641 7.396 -5.824 1.00 71.20 C ATOM 1111 C PHE A 70 -5.543 6.231 -6.270 1.00 15.12 C ATOM 1112 O PHE A 70 -5.621 5.212 -5.579 1.00 10.53 O ATOM 1113 CB PHE A 70 -5.496 8.515 -5.168 1.00 4.13 C ATOM 1114 CG PHE A 70 -4.670 9.621 -4.508 1.00 32.31 C ATOM 1115 CD1 PHE A 70 -3.947 9.368 -3.341 1.00 14.41 C ATOM 1116 CD2 PHE A 70 -4.607 10.903 -5.050 1.00 5.11 C ATOM 1117 CE1 PHE A 70 -3.191 10.359 -2.741 1.00 44.25 C ATOM 1118 CE2 PHE A 70 -3.850 11.895 -4.452 1.00 65.35 C ATOM 1119 CZ PHE A 70 -3.143 11.623 -3.295 1.00 10.53 C ATOM 0 H PHE A 70 -4.095 8.876 -7.224 1.00 61.32 H new ATOM 0 HA PHE A 70 -3.936 7.023 -5.081 1.00 71.20 H new ATOM 0 HB2 PHE A 70 -6.139 8.960 -5.928 1.00 4.13 H new ATOM 0 HB3 PHE A 70 -6.150 8.067 -4.419 1.00 4.13 H new ATOM 0 HD1 PHE A 70 -3.978 8.383 -2.900 1.00 14.41 H new ATOM 0 HD2 PHE A 70 -5.158 11.126 -5.952 1.00 5.11 H new ATOM 0 HE1 PHE A 70 -2.638 10.144 -1.839 1.00 44.25 H new ATOM 0 HE2 PHE A 70 -3.811 12.882 -4.889 1.00 65.35 H new ATOM 0 HZ PHE A 70 -2.555 12.398 -2.826 1.00 10.53 H new ATOM 1129 N TYR A 71 -6.215 6.394 -7.425 1.00 34.32 N ATOM 1130 CA TYR A 71 -7.142 5.371 -7.978 1.00 64.34 C ATOM 1131 C TYR A 71 -6.363 4.141 -8.472 1.00 11.23 C ATOM 1132 O TYR A 71 -6.798 2.996 -8.295 1.00 71.23 O ATOM 1133 CB TYR A 71 -7.973 5.960 -9.148 1.00 12.52 C ATOM 1134 CG TYR A 71 -8.638 7.309 -8.844 1.00 63.42 C ATOM 1135 CD1 TYR A 71 -9.329 7.533 -7.647 1.00 3.04 C ATOM 1136 CD2 TYR A 71 -8.587 8.358 -9.768 1.00 52.15 C ATOM 1137 CE1 TYR A 71 -9.938 8.745 -7.389 1.00 0.51 C ATOM 1138 CE2 TYR A 71 -9.191 9.568 -9.509 1.00 11.20 C ATOM 1139 CZ TYR A 71 -9.863 9.758 -8.324 1.00 73.11 C ATOM 1140 OH TYR A 71 -10.485 10.959 -8.081 1.00 52.32 O ATOM 0 H TYR A 71 -6.136 7.231 -8.003 1.00 34.32 H new ATOM 0 HA TYR A 71 -7.817 5.067 -7.178 1.00 64.34 H new ATOM 0 HB2 TYR A 71 -7.323 6.078 -10.015 1.00 12.52 H new ATOM 0 HB3 TYR A 71 -8.746 5.243 -9.424 1.00 12.52 H new ATOM 0 HD1 TYR A 71 -9.387 6.744 -6.912 1.00 3.04 H new ATOM 0 HD2 TYR A 71 -8.064 8.216 -10.702 1.00 52.15 H new ATOM 0 HE1 TYR A 71 -10.470 8.900 -6.462 1.00 0.51 H new ATOM 0 HE2 TYR A 71 -9.137 10.366 -10.235 1.00 11.20 H new ATOM 0 HH TYR A 71 -10.335 11.564 -8.837 1.00 52.32 H new ATOM 1150 N GLU A 72 -5.210 4.430 -9.097 1.00 5.15 N ATOM 1151 CA GLU A 72 -4.229 3.445 -9.573 1.00 63.51 C ATOM 1152 C GLU A 72 -3.795 2.542 -8.409 1.00 11.40 C ATOM 1153 O GLU A 72 -3.870 1.315 -8.509 1.00 44.22 O ATOM 1154 CB GLU A 72 -3.028 4.221 -10.198 1.00 44.41 C ATOM 1155 CG GLU A 72 -1.890 3.365 -10.805 1.00 20.45 C ATOM 1156 CD GLU A 72 -0.744 3.052 -9.813 1.00 73.45 C ATOM 1157 OE1 GLU A 72 0.084 3.955 -9.565 1.00 41.02 O ATOM 1158 OE2 GLU A 72 -0.656 1.905 -9.308 1.00 34.40 O ATOM 0 H GLU A 72 -4.927 5.390 -9.291 1.00 5.15 H new ATOM 0 HA GLU A 72 -4.660 2.796 -10.336 1.00 63.51 H new ATOM 0 HB2 GLU A 72 -3.415 4.876 -10.979 1.00 44.41 H new ATOM 0 HB3 GLU A 72 -2.599 4.862 -9.428 1.00 44.41 H new ATOM 0 HG2 GLU A 72 -2.309 2.427 -11.169 1.00 20.45 H new ATOM 0 HG3 GLU A 72 -1.478 3.886 -11.669 1.00 20.45 H new ATOM 1165 N LEU A 73 -3.401 3.182 -7.291 1.00 60.33 N ATOM 1166 CA LEU A 73 -2.995 2.492 -6.050 1.00 63.44 C ATOM 1167 C LEU A 73 -4.142 1.650 -5.471 1.00 23.13 C ATOM 1168 O LEU A 73 -3.960 0.462 -5.230 1.00 61.21 O ATOM 1169 CB LEU A 73 -2.451 3.519 -4.990 1.00 23.54 C ATOM 1170 CG LEU A 73 -0.901 3.510 -4.777 1.00 60.33 C ATOM 1171 CD1 LEU A 73 -0.447 2.197 -4.099 1.00 73.31 C ATOM 1172 CD2 LEU A 73 -0.156 3.730 -6.113 1.00 54.10 C ATOM 0 H LEU A 73 -3.355 4.199 -7.223 1.00 60.33 H new ATOM 0 HA LEU A 73 -2.186 1.807 -6.302 1.00 63.44 H new ATOM 0 HB2 LEU A 73 -2.753 4.522 -5.293 1.00 23.54 H new ATOM 0 HB3 LEU A 73 -2.933 3.317 -4.033 1.00 23.54 H new ATOM 0 HG LEU A 73 -0.647 4.337 -4.114 1.00 60.33 H new ATOM 0 HD11 LEU A 73 0.634 2.214 -3.961 1.00 73.31 H new ATOM 0 HD12 LEU A 73 -0.935 2.101 -3.129 1.00 73.31 H new ATOM 0 HD13 LEU A 73 -0.720 1.350 -4.728 1.00 73.31 H new ATOM 0 HD21 LEU A 73 0.919 3.719 -5.936 1.00 54.10 H new ATOM 0 HD22 LEU A 73 -0.417 2.934 -6.810 1.00 54.10 H new ATOM 0 HD23 LEU A 73 -0.444 4.692 -6.536 1.00 54.10 H new ATOM 1184 N GLN A 74 -5.319 2.275 -5.285 1.00 12.42 N ATOM 1185 CA GLN A 74 -6.503 1.628 -4.673 1.00 25.21 C ATOM 1186 C GLN A 74 -6.922 0.352 -5.416 1.00 71.53 C ATOM 1187 O GLN A 74 -7.103 -0.696 -4.795 1.00 11.43 O ATOM 1188 CB GLN A 74 -7.695 2.620 -4.617 1.00 64.45 C ATOM 1189 CG GLN A 74 -7.555 3.704 -3.538 1.00 21.43 C ATOM 1190 CD GLN A 74 -8.668 4.744 -3.600 1.00 71.12 C ATOM 1191 OE1 GLN A 74 -9.728 4.571 -3.008 1.00 75.15 O ATOM 1192 NE2 GLN A 74 -8.430 5.833 -4.316 1.00 23.22 N ATOM 0 H GLN A 74 -5.480 3.246 -5.554 1.00 12.42 H new ATOM 0 HA GLN A 74 -6.219 1.340 -3.661 1.00 25.21 H new ATOM 0 HB2 GLN A 74 -7.800 3.101 -5.589 1.00 64.45 H new ATOM 0 HB3 GLN A 74 -8.613 2.060 -4.438 1.00 64.45 H new ATOM 0 HG2 GLN A 74 -7.557 3.234 -2.554 1.00 21.43 H new ATOM 0 HG3 GLN A 74 -6.592 4.202 -3.652 1.00 21.43 H new ATOM 0 HE21 GLN A 74 -7.536 5.943 -4.795 1.00 23.22 H new ATOM 0 HE22 GLN A 74 -9.140 6.561 -4.388 1.00 23.22 H new ATOM 1201 N GLU A 75 -7.049 0.455 -6.749 1.00 75.31 N ATOM 1202 CA GLU A 75 -7.574 -0.635 -7.592 1.00 65.53 C ATOM 1203 C GLU A 75 -6.482 -1.667 -7.950 1.00 1.24 C ATOM 1204 O GLU A 75 -6.810 -2.825 -8.235 1.00 32.22 O ATOM 1205 CB GLU A 75 -8.275 -0.039 -8.839 1.00 42.34 C ATOM 1206 CG GLU A 75 -9.493 0.851 -8.472 1.00 5.35 C ATOM 1207 CD GLU A 75 -10.268 1.391 -9.682 1.00 32.52 C ATOM 1208 OE1 GLU A 75 -11.121 0.654 -10.229 1.00 41.21 O ATOM 1209 OE2 GLU A 75 -10.041 2.554 -10.087 1.00 4.54 O ATOM 0 H GLU A 75 -6.792 1.292 -7.272 1.00 75.31 H new ATOM 0 HA GLU A 75 -8.320 -1.191 -7.024 1.00 65.53 H new ATOM 0 HB2 GLU A 75 -7.556 0.552 -9.407 1.00 42.34 H new ATOM 0 HB3 GLU A 75 -8.605 -0.850 -9.488 1.00 42.34 H new ATOM 0 HG2 GLU A 75 -10.174 0.274 -7.847 1.00 5.35 H new ATOM 0 HG3 GLU A 75 -9.146 1.693 -7.873 1.00 5.35 H new ATOM 1216 N ASN A 76 -5.188 -1.253 -7.906 1.00 43.14 N ATOM 1217 CA ASN A 76 -4.043 -2.202 -7.942 1.00 33.50 C ATOM 1218 C ASN A 76 -4.107 -3.097 -6.701 1.00 2.45 C ATOM 1219 O ASN A 76 -4.107 -4.325 -6.801 1.00 72.55 O ATOM 1220 CB ASN A 76 -2.681 -1.427 -7.996 1.00 74.50 C ATOM 1221 CG ASN A 76 -1.460 -2.262 -7.567 1.00 0.51 C ATOM 1222 OD1 ASN A 76 -0.851 -2.966 -8.370 1.00 72.04 O ATOM 1223 ND2 ASN A 76 -1.084 -2.170 -6.295 1.00 61.12 N ATOM 0 H ASN A 76 -4.912 -0.273 -7.846 1.00 43.14 H new ATOM 0 HA ASN A 76 -4.107 -2.817 -8.840 1.00 33.50 H new ATOM 0 HB2 ASN A 76 -2.521 -1.067 -9.012 1.00 74.50 H new ATOM 0 HB3 ASN A 76 -2.750 -0.549 -7.354 1.00 74.50 H new ATOM 0 HD21 ASN A 76 -0.272 -2.691 -5.964 1.00 61.12 H new ATOM 0 HD22 ASN A 76 -1.608 -1.578 -5.650 1.00 61.12 H new ATOM 1230 N LEU A 77 -4.206 -2.439 -5.539 1.00 61.04 N ATOM 1231 CA LEU A 77 -4.275 -3.085 -4.229 1.00 13.31 C ATOM 1232 C LEU A 77 -5.565 -3.911 -4.082 1.00 53.01 C ATOM 1233 O LEU A 77 -5.557 -4.915 -3.394 1.00 54.24 O ATOM 1234 CB LEU A 77 -4.184 -2.019 -3.102 1.00 12.21 C ATOM 1235 CG LEU A 77 -2.815 -1.286 -2.915 1.00 63.13 C ATOM 1236 CD1 LEU A 77 -2.936 -0.173 -1.842 1.00 11.24 C ATOM 1237 CD2 LEU A 77 -1.678 -2.283 -2.585 1.00 21.43 C ATOM 0 H LEU A 77 -4.241 -1.421 -5.486 1.00 61.04 H new ATOM 0 HA LEU A 77 -3.429 -3.767 -4.142 1.00 13.31 H new ATOM 0 HB2 LEU A 77 -4.948 -1.264 -3.290 1.00 12.21 H new ATOM 0 HB3 LEU A 77 -4.439 -2.503 -2.159 1.00 12.21 H new ATOM 0 HG LEU A 77 -2.552 -0.811 -3.860 1.00 63.13 H new ATOM 0 HD11 LEU A 77 -1.974 0.326 -1.725 1.00 11.24 H new ATOM 0 HD12 LEU A 77 -3.686 0.553 -2.154 1.00 11.24 H new ATOM 0 HD13 LEU A 77 -3.233 -0.615 -0.891 1.00 11.24 H new ATOM 0 HD21 LEU A 77 -0.742 -1.739 -2.462 1.00 21.43 H new ATOM 0 HD22 LEU A 77 -1.915 -2.812 -1.662 1.00 21.43 H new ATOM 0 HD23 LEU A 77 -1.576 -3.001 -3.399 1.00 21.43 H new ATOM 1249 N GLU A 78 -6.657 -3.457 -4.734 1.00 52.34 N ATOM 1250 CA GLU A 78 -7.953 -4.170 -4.761 1.00 23.23 C ATOM 1251 C GLU A 78 -7.829 -5.461 -5.584 1.00 71.50 C ATOM 1252 O GLU A 78 -8.345 -6.500 -5.189 1.00 51.34 O ATOM 1253 CB GLU A 78 -9.058 -3.258 -5.351 1.00 34.22 C ATOM 1254 CG GLU A 78 -10.470 -3.882 -5.390 1.00 4.52 C ATOM 1255 CD GLU A 78 -11.512 -2.972 -6.072 1.00 63.01 C ATOM 1256 OE1 GLU A 78 -11.373 -2.717 -7.286 1.00 44.05 O ATOM 1257 OE2 GLU A 78 -12.487 -2.540 -5.414 1.00 64.33 O ATOM 0 H GLU A 78 -6.665 -2.582 -5.259 1.00 52.34 H new ATOM 0 HA GLU A 78 -8.230 -4.432 -3.740 1.00 23.23 H new ATOM 0 HB2 GLU A 78 -9.100 -2.339 -4.766 1.00 34.22 H new ATOM 0 HB3 GLU A 78 -8.773 -2.978 -6.365 1.00 34.22 H new ATOM 0 HG2 GLU A 78 -10.426 -4.834 -5.919 1.00 4.52 H new ATOM 0 HG3 GLU A 78 -10.794 -4.097 -4.372 1.00 4.52 H new ATOM 1264 N LYS A 79 -7.127 -5.362 -6.724 1.00 54.13 N ATOM 1265 CA LYS A 79 -6.785 -6.512 -7.590 1.00 50.32 C ATOM 1266 C LYS A 79 -5.938 -7.555 -6.823 1.00 72.25 C ATOM 1267 O LYS A 79 -6.194 -8.760 -6.915 1.00 54.44 O ATOM 1268 CB LYS A 79 -6.037 -5.983 -8.843 1.00 32.03 C ATOM 1269 CG LYS A 79 -5.356 -7.051 -9.724 1.00 52.11 C ATOM 1270 CD LYS A 79 -4.605 -6.414 -10.915 1.00 42.04 C ATOM 1271 CE LYS A 79 -3.796 -7.431 -11.731 1.00 63.43 C ATOM 1272 NZ LYS A 79 -3.071 -6.775 -12.854 1.00 3.35 N ATOM 0 H LYS A 79 -6.775 -4.473 -7.078 1.00 54.13 H new ATOM 0 HA LYS A 79 -7.698 -7.019 -7.903 1.00 50.32 H new ATOM 0 HB2 LYS A 79 -6.746 -5.431 -9.459 1.00 32.03 H new ATOM 0 HB3 LYS A 79 -5.278 -5.272 -8.516 1.00 32.03 H new ATOM 0 HG2 LYS A 79 -4.657 -7.629 -9.120 1.00 52.11 H new ATOM 0 HG3 LYS A 79 -6.107 -7.748 -10.097 1.00 52.11 H new ATOM 0 HD2 LYS A 79 -5.325 -5.922 -11.570 1.00 42.04 H new ATOM 0 HD3 LYS A 79 -3.934 -5.641 -10.542 1.00 42.04 H new ATOM 0 HE2 LYS A 79 -3.082 -7.936 -11.080 1.00 63.43 H new ATOM 0 HE3 LYS A 79 -4.464 -8.197 -12.125 1.00 63.43 H new ATOM 0 HZ1 LYS A 79 -2.534 -7.490 -13.385 1.00 3.35 H new ATOM 0 HZ2 LYS A 79 -3.756 -6.315 -13.487 1.00 3.35 H new ATOM 0 HZ3 LYS A 79 -2.416 -6.062 -12.475 1.00 3.35 H new ATOM 1286 N LEU A 80 -4.955 -7.060 -6.047 1.00 71.31 N ATOM 1287 CA LEU A 80 -4.093 -7.888 -5.173 1.00 42.10 C ATOM 1288 C LEU A 80 -4.920 -8.508 -4.020 1.00 53.01 C ATOM 1289 O LEU A 80 -4.732 -9.666 -3.643 1.00 1.32 O ATOM 1290 CB LEU A 80 -2.947 -7.011 -4.599 1.00 63.13 C ATOM 1291 CG LEU A 80 -1.978 -6.353 -5.638 1.00 74.34 C ATOM 1292 CD1 LEU A 80 -0.964 -5.413 -4.939 1.00 52.52 C ATOM 1293 CD2 LEU A 80 -1.273 -7.418 -6.513 1.00 72.52 C ATOM 0 H LEU A 80 -4.733 -6.065 -6.007 1.00 71.31 H new ATOM 0 HA LEU A 80 -3.668 -8.701 -5.762 1.00 42.10 H new ATOM 0 HB2 LEU A 80 -3.393 -6.217 -4.000 1.00 63.13 H new ATOM 0 HB3 LEU A 80 -2.354 -7.626 -3.922 1.00 63.13 H new ATOM 0 HG LEU A 80 -2.578 -5.740 -6.310 1.00 74.34 H new ATOM 0 HD11 LEU A 80 -0.304 -4.970 -5.685 1.00 52.52 H new ATOM 0 HD12 LEU A 80 -1.502 -4.623 -4.415 1.00 52.52 H new ATOM 0 HD13 LEU A 80 -0.372 -5.984 -4.224 1.00 52.52 H new ATOM 0 HD21 LEU A 80 -0.609 -6.924 -7.222 1.00 72.52 H new ATOM 0 HD22 LEU A 80 -0.693 -8.086 -5.876 1.00 72.52 H new ATOM 0 HD23 LEU A 80 -2.021 -7.995 -7.057 1.00 72.52 H new ATOM 1305 N LEU A 81 -5.852 -7.704 -3.496 1.00 63.04 N ATOM 1306 CA LEU A 81 -6.790 -8.090 -2.422 1.00 20.14 C ATOM 1307 C LEU A 81 -7.794 -9.145 -2.928 1.00 63.43 C ATOM 1308 O LEU A 81 -8.275 -9.972 -2.152 1.00 52.24 O ATOM 1309 CB LEU A 81 -7.462 -6.787 -1.860 1.00 50.00 C ATOM 1310 CG LEU A 81 -8.828 -6.894 -1.084 1.00 62.45 C ATOM 1311 CD1 LEU A 81 -8.907 -5.850 0.057 1.00 3.53 C ATOM 1312 CD2 LEU A 81 -10.041 -6.735 -2.045 1.00 61.50 C ATOM 0 H LEU A 81 -5.983 -6.743 -3.811 1.00 63.04 H new ATOM 0 HA LEU A 81 -6.265 -8.571 -1.597 1.00 20.14 H new ATOM 0 HB2 LEU A 81 -6.744 -6.310 -1.193 1.00 50.00 H new ATOM 0 HB3 LEU A 81 -7.615 -6.110 -2.700 1.00 50.00 H new ATOM 0 HG LEU A 81 -8.871 -7.890 -0.643 1.00 62.45 H new ATOM 0 HD11 LEU A 81 -9.861 -5.948 0.575 1.00 3.53 H new ATOM 0 HD12 LEU A 81 -8.093 -6.019 0.762 1.00 3.53 H new ATOM 0 HD13 LEU A 81 -8.823 -4.847 -0.361 1.00 3.53 H new ATOM 0 HD21 LEU A 81 -10.968 -6.814 -1.477 1.00 61.50 H new ATOM 0 HD22 LEU A 81 -9.995 -5.760 -2.531 1.00 61.50 H new ATOM 0 HD23 LEU A 81 -10.011 -7.519 -2.801 1.00 61.50 H new ATOM 1324 N GLN A 82 -8.081 -9.112 -4.243 1.00 75.33 N ATOM 1325 CA GLN A 82 -8.902 -10.133 -4.916 1.00 42.14 C ATOM 1326 C GLN A 82 -8.083 -11.404 -5.177 1.00 70.32 C ATOM 1327 O GLN A 82 -8.616 -12.501 -5.063 1.00 71.11 O ATOM 1328 CB GLN A 82 -9.516 -9.582 -6.234 1.00 63.14 C ATOM 1329 CG GLN A 82 -10.646 -8.550 -6.035 1.00 61.30 C ATOM 1330 CD GLN A 82 -11.851 -9.103 -5.255 1.00 53.22 C ATOM 1331 OE1 GLN A 82 -11.826 -8.984 -3.937 1.00 43.22 O flip ATOM 1332 NE2 GLN A 82 -12.790 -9.641 -5.835 1.00 25.11 N flip ATOM 0 H GLN A 82 -7.750 -8.377 -4.867 1.00 75.33 H new ATOM 0 HA GLN A 82 -9.726 -10.393 -4.252 1.00 42.14 H new ATOM 0 HB2 GLN A 82 -8.723 -9.123 -6.825 1.00 63.14 H new ATOM 0 HB3 GLN A 82 -9.904 -10.418 -6.816 1.00 63.14 H new ATOM 0 HG2 GLN A 82 -10.248 -7.684 -5.507 1.00 61.30 H new ATOM 0 HG3 GLN A 82 -10.984 -8.200 -7.010 1.00 61.30 H new ATOM 0 HE21 GLN A 82 -12.784 -9.719 -6.852 1.00 25.11 H new ATOM 0 HE22 GLN A 82 -13.576 -10.009 -5.300 1.00 25.11 H new ATOM 1341 N ASP A 83 -6.787 -11.246 -5.516 1.00 54.20 N ATOM 1342 CA ASP A 83 -5.854 -12.389 -5.658 1.00 12.53 C ATOM 1343 C ASP A 83 -5.659 -13.109 -4.313 1.00 52.43 C ATOM 1344 O ASP A 83 -5.438 -14.323 -4.282 1.00 43.01 O ATOM 1345 CB ASP A 83 -4.479 -11.937 -6.244 1.00 61.40 C ATOM 1346 CG ASP A 83 -4.461 -11.902 -7.783 1.00 70.10 C ATOM 1347 OD1 ASP A 83 -4.540 -12.994 -8.402 1.00 64.23 O ATOM 1348 OD2 ASP A 83 -4.377 -10.801 -8.379 1.00 11.51 O ATOM 0 H ASP A 83 -6.360 -10.338 -5.697 1.00 54.20 H new ATOM 0 HA ASP A 83 -6.301 -13.090 -6.362 1.00 12.53 H new ATOM 0 HB2 ASP A 83 -4.236 -10.946 -5.861 1.00 61.40 H new ATOM 0 HB3 ASP A 83 -3.701 -12.614 -5.893 1.00 61.40 H new ATOM 1353 N ALA A 84 -5.746 -12.338 -3.219 1.00 42.23 N ATOM 1354 CA ALA A 84 -5.689 -12.866 -1.852 1.00 5.51 C ATOM 1355 C ALA A 84 -7.017 -13.552 -1.468 1.00 71.52 C ATOM 1356 O ALA A 84 -7.013 -14.671 -0.960 1.00 45.41 O ATOM 1357 CB ALA A 84 -5.343 -11.737 -0.877 1.00 51.34 C ATOM 0 H ALA A 84 -5.858 -11.325 -3.260 1.00 42.23 H new ATOM 0 HA ALA A 84 -4.907 -13.624 -1.798 1.00 5.51 H new ATOM 0 HB1 ALA A 84 -5.301 -12.133 0.138 1.00 51.34 H new ATOM 0 HB2 ALA A 84 -4.374 -11.312 -1.141 1.00 51.34 H new ATOM 0 HB3 ALA A 84 -6.107 -10.961 -0.933 1.00 51.34 H new ATOM 1363 N TYR A 85 -8.161 -12.881 -1.727 1.00 41.53 N ATOM 1364 CA TYR A 85 -9.505 -13.452 -1.431 1.00 70.02 C ATOM 1365 C TYR A 85 -9.831 -14.663 -2.327 1.00 0.44 C ATOM 1366 O TYR A 85 -10.717 -15.455 -1.997 1.00 52.02 O ATOM 1367 CB TYR A 85 -10.624 -12.375 -1.523 1.00 62.11 C ATOM 1368 CG TYR A 85 -10.665 -11.388 -0.337 1.00 54.34 C ATOM 1369 CD1 TYR A 85 -10.318 -11.794 0.957 1.00 4.53 C ATOM 1370 CD2 TYR A 85 -11.074 -10.061 -0.502 1.00 73.04 C ATOM 1371 CE1 TYR A 85 -10.373 -10.922 2.028 1.00 63.44 C ATOM 1372 CE2 TYR A 85 -11.127 -9.186 0.573 1.00 43.03 C ATOM 1373 CZ TYR A 85 -10.776 -9.622 1.830 1.00 5.34 C ATOM 1374 OH TYR A 85 -10.815 -8.752 2.900 1.00 3.43 O ATOM 0 H TYR A 85 -8.187 -11.948 -2.138 1.00 41.53 H new ATOM 0 HA TYR A 85 -9.470 -13.808 -0.401 1.00 70.02 H new ATOM 0 HB2 TYR A 85 -10.491 -11.809 -2.445 1.00 62.11 H new ATOM 0 HB3 TYR A 85 -11.589 -12.877 -1.594 1.00 62.11 H new ATOM 0 HD1 TYR A 85 -10.000 -12.813 1.122 1.00 4.53 H new ATOM 0 HD2 TYR A 85 -11.354 -9.711 -1.485 1.00 73.04 H new ATOM 0 HE1 TYR A 85 -10.100 -11.260 3.017 1.00 63.44 H new ATOM 0 HE2 TYR A 85 -11.443 -8.164 0.424 1.00 43.03 H new ATOM 0 HH TYR A 85 -11.119 -7.872 2.595 1.00 3.43 H new ATOM 1384 N GLU A 86 -9.096 -14.802 -3.448 1.00 11.22 N ATOM 1385 CA GLU A 86 -9.140 -16.000 -4.310 1.00 63.05 C ATOM 1386 C GLU A 86 -7.933 -16.912 -4.019 1.00 31.40 C ATOM 1387 O GLU A 86 -7.263 -17.414 -4.928 1.00 3.32 O ATOM 1388 CB GLU A 86 -9.219 -15.593 -5.810 1.00 10.11 C ATOM 1389 CG GLU A 86 -10.557 -14.938 -6.202 1.00 10.11 C ATOM 1390 CD GLU A 86 -11.777 -15.825 -5.865 1.00 74.32 C ATOM 1391 OE1 GLU A 86 -12.014 -16.824 -6.578 1.00 13.12 O ATOM 1392 OE2 GLU A 86 -12.497 -15.536 -4.879 1.00 21.33 O ATOM 0 H GLU A 86 -8.453 -14.084 -3.782 1.00 11.22 H new ATOM 0 HA GLU A 86 -10.042 -16.569 -4.084 1.00 63.05 H new ATOM 0 HB2 GLU A 86 -8.406 -14.902 -6.033 1.00 10.11 H new ATOM 0 HB3 GLU A 86 -9.063 -16.478 -6.427 1.00 10.11 H new ATOM 0 HG2 GLU A 86 -10.654 -13.983 -5.686 1.00 10.11 H new ATOM 0 HG3 GLU A 86 -10.553 -14.724 -7.271 1.00 10.11 H new ATOM 1399 N ARG A 87 -7.680 -17.095 -2.715 1.00 65.25 N ATOM 1400 CA ARG A 87 -6.762 -18.116 -2.175 1.00 75.12 C ATOM 1401 C ARG A 87 -7.528 -18.991 -1.171 1.00 63.24 C ATOM 1402 O ARG A 87 -8.485 -18.529 -0.536 1.00 61.53 O ATOM 1403 CB ARG A 87 -5.555 -17.465 -1.434 1.00 34.53 C ATOM 1404 CG ARG A 87 -4.517 -16.747 -2.313 1.00 63.22 C ATOM 1405 CD ARG A 87 -3.751 -17.706 -3.244 1.00 14.33 C ATOM 1406 NE ARG A 87 -4.388 -17.881 -4.562 1.00 51.10 N ATOM 1407 CZ ARG A 87 -4.365 -19.008 -5.299 1.00 1.12 C ATOM 1408 NH1 ARG A 87 -3.761 -20.113 -4.853 1.00 65.43 N ATOM 1409 NH2 ARG A 87 -4.927 -19.012 -6.498 1.00 5.41 N ATOM 0 H ARG A 87 -8.116 -16.527 -1.989 1.00 65.25 H new ATOM 0 HA ARG A 87 -6.383 -18.707 -3.009 1.00 75.12 H new ATOM 0 HB2 ARG A 87 -5.945 -16.748 -0.711 1.00 34.53 H new ATOM 0 HB3 ARG A 87 -5.043 -18.243 -0.867 1.00 34.53 H new ATOM 0 HG2 ARG A 87 -5.020 -15.990 -2.914 1.00 63.22 H new ATOM 0 HG3 ARG A 87 -3.806 -16.225 -1.673 1.00 63.22 H new ATOM 0 HD2 ARG A 87 -2.738 -17.330 -3.386 1.00 14.33 H new ATOM 0 HD3 ARG A 87 -3.665 -18.678 -2.759 1.00 14.33 H new ATOM 0 HE ARG A 87 -4.889 -17.081 -4.948 1.00 51.10 H new ATOM 0 HH11 ARG A 87 -3.307 -20.113 -3.940 1.00 65.43 H new ATOM 0 HH12 ARG A 87 -3.754 -20.957 -5.426 1.00 65.43 H new ATOM 0 HH21 ARG A 87 -5.372 -18.167 -6.856 1.00 5.41 H new ATOM 0 HH22 ARG A 87 -4.915 -19.860 -7.064 1.00 5.41 H new ATOM 1423 N SER A 88 -7.087 -20.251 -1.031 1.00 55.33 N ATOM 1424 CA SER A 88 -7.481 -21.123 0.098 1.00 51.12 C ATOM 1425 C SER A 88 -6.422 -21.000 1.233 1.00 64.13 C ATOM 1426 O SER A 88 -6.560 -21.592 2.308 1.00 41.15 O ATOM 1427 CB SER A 88 -7.616 -22.583 -0.395 1.00 60.12 C ATOM 1428 OG SER A 88 -8.542 -22.676 -1.470 1.00 33.13 O ATOM 0 H SER A 88 -6.450 -20.697 -1.691 1.00 55.33 H new ATOM 0 HA SER A 88 -8.448 -20.813 0.495 1.00 51.12 H new ATOM 0 HB2 SER A 88 -6.642 -22.953 -0.716 1.00 60.12 H new ATOM 0 HB3 SER A 88 -7.943 -23.219 0.427 1.00 60.12 H new ATOM 0 HG SER A 88 -8.608 -23.608 -1.765 1.00 33.13 H new ATOM 1434 N GLU A 89 -5.355 -20.232 0.928 1.00 4.04 N ATOM 1435 CA GLU A 89 -4.237 -19.914 1.827 1.00 50.43 C ATOM 1436 C GLU A 89 -4.608 -18.651 2.632 1.00 35.25 C ATOM 1437 O GLU A 89 -4.161 -17.540 2.328 1.00 21.41 O ATOM 1438 CB GLU A 89 -2.950 -19.696 0.966 1.00 4.01 C ATOM 1439 CG GLU A 89 -2.477 -20.925 0.138 1.00 54.21 C ATOM 1440 CD GLU A 89 -3.491 -21.436 -0.924 1.00 32.04 C ATOM 1441 OE1 GLU A 89 -3.790 -20.698 -1.886 1.00 4.22 O ATOM 1442 OE2 GLU A 89 -4.004 -22.570 -0.791 1.00 32.42 O ATOM 0 H GLU A 89 -5.249 -19.801 0.010 1.00 4.04 H new ATOM 0 HA GLU A 89 -4.042 -20.725 2.528 1.00 50.43 H new ATOM 0 HB2 GLU A 89 -3.129 -18.867 0.281 1.00 4.01 H new ATOM 0 HB3 GLU A 89 -2.139 -19.393 1.628 1.00 4.01 H new ATOM 0 HG2 GLU A 89 -1.546 -20.667 -0.366 1.00 54.21 H new ATOM 0 HG3 GLU A 89 -2.252 -21.741 0.825 1.00 54.21 H new ATOM 1449 N SER A 90 -5.439 -18.861 3.664 1.00 32.33 N ATOM 1450 CA SER A 90 -6.279 -17.812 4.270 1.00 42.35 C ATOM 1451 C SER A 90 -5.551 -16.908 5.294 1.00 2.05 C ATOM 1452 O SER A 90 -5.849 -15.708 5.370 1.00 63.31 O ATOM 1453 CB SER A 90 -7.504 -18.487 4.920 1.00 25.35 C ATOM 1454 OG SER A 90 -7.104 -19.490 5.839 1.00 41.05 O ATOM 0 H SER A 90 -5.549 -19.773 4.107 1.00 32.33 H new ATOM 0 HA SER A 90 -6.573 -17.136 3.467 1.00 42.35 H new ATOM 0 HB2 SER A 90 -8.107 -17.738 5.434 1.00 25.35 H new ATOM 0 HB3 SER A 90 -8.134 -18.927 4.147 1.00 25.35 H new ATOM 0 HG SER A 90 -7.898 -19.902 6.239 1.00 41.05 H new ATOM 1460 N LEU A 91 -4.607 -17.465 6.074 1.00 43.13 N ATOM 1461 CA LEU A 91 -3.976 -16.731 7.203 1.00 0.54 C ATOM 1462 C LEU A 91 -3.075 -15.571 6.715 1.00 52.23 C ATOM 1463 O LEU A 91 -2.941 -14.546 7.392 1.00 35.45 O ATOM 1464 CB LEU A 91 -3.166 -17.702 8.103 1.00 12.00 C ATOM 1465 CG LEU A 91 -3.957 -18.888 8.749 1.00 3.40 C ATOM 1466 CD1 LEU A 91 -3.035 -19.728 9.664 1.00 63.31 C ATOM 1467 CD2 LEU A 91 -5.226 -18.399 9.501 1.00 35.12 C ATOM 0 H LEU A 91 -4.261 -18.416 5.950 1.00 43.13 H new ATOM 0 HA LEU A 91 -4.783 -16.292 7.790 1.00 0.54 H new ATOM 0 HB2 LEU A 91 -2.353 -18.119 7.508 1.00 12.00 H new ATOM 0 HB3 LEU A 91 -2.709 -17.122 8.904 1.00 12.00 H new ATOM 0 HG LEU A 91 -4.304 -19.533 7.942 1.00 3.40 H new ATOM 0 HD11 LEU A 91 -3.606 -20.547 10.102 1.00 63.31 H new ATOM 0 HD12 LEU A 91 -2.211 -20.134 9.077 1.00 63.31 H new ATOM 0 HD13 LEU A 91 -2.638 -19.096 10.459 1.00 63.31 H new ATOM 0 HD21 LEU A 91 -5.745 -19.254 9.934 1.00 35.12 H new ATOM 0 HD22 LEU A 91 -4.936 -17.711 10.295 1.00 35.12 H new ATOM 0 HD23 LEU A 91 -5.889 -17.888 8.802 1.00 35.12 H new ATOM 1479 N GLU A 92 -2.493 -15.745 5.525 1.00 11.12 N ATOM 1480 CA GLU A 92 -1.569 -14.774 4.902 1.00 14.43 C ATOM 1481 C GLU A 92 -2.349 -13.668 4.164 1.00 71.34 C ATOM 1482 O GLU A 92 -1.806 -12.585 3.910 1.00 62.22 O ATOM 1483 CB GLU A 92 -0.602 -15.517 3.938 1.00 41.23 C ATOM 1484 CG GLU A 92 0.352 -16.542 4.610 1.00 3.00 C ATOM 1485 CD GLU A 92 -0.355 -17.713 5.321 1.00 21.11 C ATOM 1486 OE1 GLU A 92 -1.136 -18.441 4.659 1.00 63.52 O ATOM 1487 OE2 GLU A 92 -0.154 -17.893 6.548 1.00 50.30 O ATOM 0 H GLU A 92 -2.649 -16.575 4.953 1.00 11.12 H new ATOM 0 HA GLU A 92 -0.982 -14.292 5.684 1.00 14.43 H new ATOM 0 HB2 GLU A 92 -1.195 -16.037 3.186 1.00 41.23 H new ATOM 0 HB3 GLU A 92 0.000 -14.776 3.413 1.00 41.23 H new ATOM 0 HG2 GLU A 92 1.021 -16.947 3.850 1.00 3.00 H new ATOM 0 HG3 GLU A 92 0.974 -16.017 5.335 1.00 3.00 H new ATOM 1494 N VAL A 93 -3.626 -13.964 3.836 1.00 34.13 N ATOM 1495 CA VAL A 93 -4.560 -12.981 3.247 1.00 10.54 C ATOM 1496 C VAL A 93 -4.779 -11.789 4.205 1.00 51.25 C ATOM 1497 O VAL A 93 -4.976 -10.656 3.752 1.00 50.22 O ATOM 1498 CB VAL A 93 -5.937 -13.661 2.898 1.00 43.21 C ATOM 1499 CG1 VAL A 93 -6.973 -12.649 2.352 1.00 41.41 C ATOM 1500 CG2 VAL A 93 -5.721 -14.838 1.920 1.00 44.12 C ATOM 0 H VAL A 93 -4.036 -14.888 3.972 1.00 34.13 H new ATOM 0 HA VAL A 93 -4.116 -12.605 2.325 1.00 10.54 H new ATOM 0 HB VAL A 93 -6.355 -14.054 3.825 1.00 43.21 H new ATOM 0 HG11 VAL A 93 -7.905 -13.168 2.127 1.00 41.41 H new ATOM 0 HG12 VAL A 93 -7.158 -11.879 3.100 1.00 41.41 H new ATOM 0 HG13 VAL A 93 -6.586 -12.187 1.444 1.00 41.41 H new ATOM 0 HG21 VAL A 93 -6.681 -15.299 1.687 1.00 44.12 H new ATOM 0 HG22 VAL A 93 -5.264 -14.469 1.002 1.00 44.12 H new ATOM 0 HG23 VAL A 93 -5.066 -15.578 2.380 1.00 44.12 H new ATOM 1510 N ALA A 94 -4.706 -12.067 5.529 1.00 43.02 N ATOM 1511 CA ALA A 94 -4.873 -11.058 6.593 1.00 33.24 C ATOM 1512 C ALA A 94 -3.915 -9.869 6.389 1.00 31.30 C ATOM 1513 O ALA A 94 -4.377 -8.728 6.234 1.00 15.12 O ATOM 1514 CB ALA A 94 -4.668 -11.707 7.972 1.00 70.01 C ATOM 0 H ALA A 94 -4.528 -13.005 5.887 1.00 43.02 H new ATOM 0 HA ALA A 94 -5.889 -10.667 6.542 1.00 33.24 H new ATOM 0 HB1 ALA A 94 -4.793 -10.954 8.751 1.00 70.01 H new ATOM 0 HB2 ALA A 94 -5.402 -12.501 8.113 1.00 70.01 H new ATOM 0 HB3 ALA A 94 -3.664 -12.126 8.031 1.00 70.01 H new ATOM 1520 N PHE A 95 -2.588 -10.175 6.314 1.00 53.42 N ATOM 1521 CA PHE A 95 -1.528 -9.163 6.095 1.00 72.00 C ATOM 1522 C PHE A 95 -1.874 -8.295 4.873 1.00 33.44 C ATOM 1523 O PHE A 95 -2.016 -7.080 4.997 1.00 24.43 O ATOM 1524 CB PHE A 95 -0.137 -9.845 5.889 1.00 4.54 C ATOM 1525 CG PHE A 95 1.025 -8.872 5.601 1.00 75.33 C ATOM 1526 CD1 PHE A 95 1.319 -8.459 4.289 1.00 51.33 C ATOM 1527 CD2 PHE A 95 1.809 -8.355 6.633 1.00 3.33 C ATOM 1528 CE1 PHE A 95 2.354 -7.580 4.029 1.00 62.52 C ATOM 1529 CE2 PHE A 95 2.847 -7.473 6.367 1.00 2.24 C ATOM 1530 CZ PHE A 95 3.114 -7.082 5.068 1.00 13.52 C ATOM 0 H PHE A 95 -2.231 -11.126 6.404 1.00 53.42 H new ATOM 0 HA PHE A 95 -1.471 -8.531 6.981 1.00 72.00 H new ATOM 0 HB2 PHE A 95 0.104 -10.423 6.781 1.00 4.54 H new ATOM 0 HB3 PHE A 95 -0.214 -10.552 5.063 1.00 4.54 H new ATOM 0 HD1 PHE A 95 0.725 -8.836 3.469 1.00 51.33 H new ATOM 0 HD2 PHE A 95 1.605 -8.645 7.653 1.00 3.33 H new ATOM 0 HE1 PHE A 95 2.568 -7.283 3.013 1.00 62.52 H new ATOM 0 HE2 PHE A 95 3.449 -7.090 7.178 1.00 2.24 H new ATOM 0 HZ PHE A 95 3.916 -6.388 4.867 1.00 13.52 H new ATOM 1540 N VAL A 96 -2.048 -8.967 3.719 1.00 41.20 N ATOM 1541 CA VAL A 96 -2.319 -8.330 2.417 1.00 24.42 C ATOM 1542 C VAL A 96 -3.484 -7.335 2.486 1.00 33.40 C ATOM 1543 O VAL A 96 -3.292 -6.147 2.234 1.00 14.42 O ATOM 1544 CB VAL A 96 -2.604 -9.428 1.316 1.00 22.50 C ATOM 1545 CG1 VAL A 96 -3.280 -8.843 0.039 1.00 42.32 C ATOM 1546 CG2 VAL A 96 -1.294 -10.179 0.981 1.00 55.53 C ATOM 0 H VAL A 96 -2.003 -9.985 3.665 1.00 41.20 H new ATOM 0 HA VAL A 96 -1.427 -7.766 2.144 1.00 24.42 H new ATOM 0 HB VAL A 96 -3.323 -10.136 1.727 1.00 22.50 H new ATOM 0 HG11 VAL A 96 -3.451 -9.643 -0.681 1.00 42.32 H new ATOM 0 HG12 VAL A 96 -4.233 -8.387 0.308 1.00 42.32 H new ATOM 0 HG13 VAL A 96 -2.629 -8.089 -0.404 1.00 42.32 H new ATOM 0 HG21 VAL A 96 -1.492 -10.936 0.222 1.00 55.53 H new ATOM 0 HG22 VAL A 96 -0.555 -9.472 0.604 1.00 55.53 H new ATOM 0 HG23 VAL A 96 -0.910 -10.660 1.881 1.00 55.53 H new ATOM 1556 N THR A 97 -4.669 -7.828 2.863 1.00 11.03 N ATOM 1557 CA THR A 97 -5.917 -7.064 2.750 1.00 33.54 C ATOM 1558 C THR A 97 -5.994 -5.936 3.789 1.00 23.54 C ATOM 1559 O THR A 97 -6.491 -4.842 3.475 1.00 73.14 O ATOM 1560 CB THR A 97 -7.156 -8.002 2.833 1.00 44.31 C ATOM 1561 OG1 THR A 97 -7.183 -8.696 4.090 1.00 53.42 O ATOM 1562 CG2 THR A 97 -7.145 -9.028 1.681 1.00 14.44 C ATOM 0 H THR A 97 -4.790 -8.763 3.253 1.00 11.03 H new ATOM 0 HA THR A 97 -5.922 -6.591 1.768 1.00 33.54 H new ATOM 0 HB THR A 97 -8.048 -7.382 2.747 1.00 44.31 H new ATOM 0 HG1 THR A 97 -6.485 -9.384 4.099 1.00 53.42 H new ATOM 0 HG21 THR A 97 -8.020 -9.673 1.760 1.00 14.44 H new ATOM 0 HG22 THR A 97 -7.166 -8.503 0.726 1.00 14.44 H new ATOM 0 HG23 THR A 97 -6.241 -9.634 1.742 1.00 14.44 H new ATOM 1570 N GLN A 98 -5.460 -6.181 5.010 1.00 15.35 N ATOM 1571 CA GLN A 98 -5.357 -5.128 6.044 1.00 24.25 C ATOM 1572 C GLN A 98 -4.439 -4.006 5.541 1.00 32.41 C ATOM 1573 O GLN A 98 -4.806 -2.849 5.618 1.00 4.25 O ATOM 1574 CB GLN A 98 -4.849 -5.700 7.395 1.00 2.14 C ATOM 1575 CG GLN A 98 -5.850 -6.656 8.086 1.00 51.25 C ATOM 1576 CD GLN A 98 -5.300 -7.318 9.352 1.00 42.11 C ATOM 1577 OE1 GLN A 98 -4.476 -6.750 10.073 1.00 30.10 O ATOM 1578 NE2 GLN A 98 -5.749 -8.530 9.623 1.00 44.45 N ATOM 0 H GLN A 98 -5.098 -7.090 5.299 1.00 15.35 H new ATOM 0 HA GLN A 98 -6.352 -4.722 6.226 1.00 24.25 H new ATOM 0 HB2 GLN A 98 -3.913 -6.231 7.224 1.00 2.14 H new ATOM 0 HB3 GLN A 98 -4.628 -4.872 8.069 1.00 2.14 H new ATOM 0 HG2 GLN A 98 -6.752 -6.100 8.341 1.00 51.25 H new ATOM 0 HG3 GLN A 98 -6.143 -7.432 7.379 1.00 51.25 H new ATOM 0 HE21 GLN A 98 -6.431 -8.971 9.006 1.00 44.45 H new ATOM 0 HE22 GLN A 98 -5.414 -9.025 10.450 1.00 44.45 H new ATOM 1587 N LEU A 99 -3.286 -4.395 4.962 1.00 2.04 N ATOM 1588 CA LEU A 99 -2.284 -3.468 4.365 1.00 61.24 C ATOM 1589 C LEU A 99 -2.872 -2.638 3.200 1.00 0.42 C ATOM 1590 O LEU A 99 -2.535 -1.455 3.048 1.00 73.14 O ATOM 1591 CB LEU A 99 -1.031 -4.283 3.898 1.00 73.42 C ATOM 1592 CG LEU A 99 0.177 -4.348 4.888 1.00 2.14 C ATOM 1593 CD1 LEU A 99 0.924 -3.010 4.904 1.00 44.41 C ATOM 1594 CD2 LEU A 99 -0.252 -4.765 6.322 1.00 55.52 C ATOM 0 H LEU A 99 -3.014 -5.375 4.891 1.00 2.04 H new ATOM 0 HA LEU A 99 -1.986 -2.753 5.132 1.00 61.24 H new ATOM 0 HB2 LEU A 99 -1.350 -5.303 3.684 1.00 73.42 H new ATOM 0 HB3 LEU A 99 -0.678 -3.856 2.959 1.00 73.42 H new ATOM 0 HG LEU A 99 0.852 -5.125 4.528 1.00 2.14 H new ATOM 0 HD11 LEU A 99 1.763 -3.070 5.598 1.00 44.41 H new ATOM 0 HD12 LEU A 99 1.296 -2.789 3.903 1.00 44.41 H new ATOM 0 HD13 LEU A 99 0.246 -2.218 5.222 1.00 44.41 H new ATOM 0 HD21 LEU A 99 0.624 -4.795 6.970 1.00 55.52 H new ATOM 0 HD22 LEU A 99 -0.968 -4.041 6.713 1.00 55.52 H new ATOM 0 HD23 LEU A 99 -0.714 -5.752 6.291 1.00 55.52 H new ATOM 1606 N VAL A 100 -3.733 -3.282 2.389 1.00 53.34 N ATOM 1607 CA VAL A 100 -4.517 -2.616 1.326 1.00 64.42 C ATOM 1608 C VAL A 100 -5.427 -1.523 1.936 1.00 12.03 C ATOM 1609 O VAL A 100 -5.421 -0.372 1.477 1.00 43.43 O ATOM 1610 CB VAL A 100 -5.381 -3.673 0.516 1.00 51.10 C ATOM 1611 CG1 VAL A 100 -6.446 -2.999 -0.399 1.00 2.44 C ATOM 1612 CG2 VAL A 100 -4.467 -4.642 -0.287 1.00 30.24 C ATOM 0 H VAL A 100 -3.907 -4.285 2.452 1.00 53.34 H new ATOM 0 HA VAL A 100 -3.823 -2.144 0.631 1.00 64.42 H new ATOM 0 HB VAL A 100 -5.934 -4.260 1.249 1.00 51.10 H new ATOM 0 HG11 VAL A 100 -7.008 -3.767 -0.930 1.00 2.44 H new ATOM 0 HG12 VAL A 100 -7.128 -2.407 0.211 1.00 2.44 H new ATOM 0 HG13 VAL A 100 -5.948 -2.351 -1.120 1.00 2.44 H new ATOM 0 HG21 VAL A 100 -5.084 -5.356 -0.833 1.00 30.24 H new ATOM 0 HG22 VAL A 100 -3.862 -4.071 -0.992 1.00 30.24 H new ATOM 0 HG23 VAL A 100 -3.813 -5.179 0.400 1.00 30.24 H new ATOM 1622 N LYS A 101 -6.172 -1.900 2.996 1.00 33.14 N ATOM 1623 CA LYS A 101 -7.055 -0.973 3.736 1.00 41.42 C ATOM 1624 C LYS A 101 -6.248 0.122 4.466 1.00 75.03 C ATOM 1625 O LYS A 101 -6.722 1.247 4.592 1.00 2.43 O ATOM 1626 CB LYS A 101 -7.979 -1.743 4.746 1.00 50.42 C ATOM 1627 CG LYS A 101 -9.465 -1.821 4.318 1.00 32.31 C ATOM 1628 CD LYS A 101 -9.718 -2.773 3.127 1.00 11.23 C ATOM 1629 CE LYS A 101 -9.584 -4.257 3.515 1.00 22.14 C ATOM 1630 NZ LYS A 101 -10.539 -4.645 4.588 1.00 25.02 N ATOM 0 H LYS A 101 -6.179 -2.852 3.362 1.00 33.14 H new ATOM 0 HA LYS A 101 -7.692 -0.484 2.999 1.00 41.42 H new ATOM 0 HB2 LYS A 101 -7.596 -2.756 4.872 1.00 50.42 H new ATOM 0 HB3 LYS A 101 -7.918 -1.256 5.719 1.00 50.42 H new ATOM 0 HG2 LYS A 101 -10.062 -2.150 5.168 1.00 32.31 H new ATOM 0 HG3 LYS A 101 -9.811 -0.822 4.053 1.00 32.31 H new ATOM 0 HD2 LYS A 101 -10.717 -2.594 2.730 1.00 11.23 H new ATOM 0 HD3 LYS A 101 -9.012 -2.545 2.328 1.00 11.23 H new ATOM 0 HE2 LYS A 101 -9.756 -4.878 2.636 1.00 22.14 H new ATOM 0 HE3 LYS A 101 -8.565 -4.453 3.849 1.00 22.14 H new ATOM 0 HZ1 LYS A 101 -10.611 -5.682 4.631 1.00 25.02 H new ATOM 0 HZ2 LYS A 101 -10.200 -4.283 5.502 1.00 25.02 H new ATOM 0 HZ3 LYS A 101 -11.475 -4.242 4.382 1.00 25.02 H new ATOM 1644 N LYS A 102 -5.023 -0.207 4.918 1.00 2.42 N ATOM 1645 CA LYS A 102 -4.177 0.727 5.668 1.00 51.32 C ATOM 1646 C LYS A 102 -3.684 1.813 4.746 1.00 72.12 C ATOM 1647 O LYS A 102 -3.800 2.989 5.065 1.00 50.30 O ATOM 1648 CB LYS A 102 -2.979 0.015 6.365 1.00 25.41 C ATOM 1649 CG LYS A 102 -3.328 -0.937 7.543 1.00 10.31 C ATOM 1650 CD LYS A 102 -4.161 -0.280 8.690 1.00 61.22 C ATOM 1651 CE LYS A 102 -5.692 -0.342 8.482 1.00 21.25 C ATOM 1652 NZ LYS A 102 -6.441 0.346 9.575 1.00 55.22 N ATOM 0 H LYS A 102 -4.598 -1.123 4.772 1.00 2.42 H new ATOM 0 HA LYS A 102 -4.785 1.165 6.460 1.00 51.32 H new ATOM 0 HB2 LYS A 102 -2.438 -0.558 5.612 1.00 25.41 H new ATOM 0 HB3 LYS A 102 -2.296 0.780 6.735 1.00 25.41 H new ATOM 0 HG2 LYS A 102 -3.884 -1.789 7.151 1.00 10.31 H new ATOM 0 HG3 LYS A 102 -2.401 -1.327 7.963 1.00 10.31 H new ATOM 0 HD2 LYS A 102 -3.914 -0.773 9.630 1.00 61.22 H new ATOM 0 HD3 LYS A 102 -3.862 0.763 8.788 1.00 61.22 H new ATOM 0 HE2 LYS A 102 -5.945 0.117 7.526 1.00 21.25 H new ATOM 0 HE3 LYS A 102 -6.007 -1.384 8.429 1.00 21.25 H new ATOM 0 HZ1 LYS A 102 -7.463 0.278 9.392 1.00 55.22 H new ATOM 0 HZ2 LYS A 102 -6.221 -0.107 10.485 1.00 55.22 H new ATOM 0 HZ3 LYS A 102 -6.162 1.347 9.611 1.00 55.22 H new ATOM 1666 N LEU A 103 -3.151 1.410 3.584 1.00 33.14 N ATOM 1667 CA LEU A 103 -2.645 2.352 2.580 1.00 23.41 C ATOM 1668 C LEU A 103 -3.812 3.151 1.947 1.00 74.33 C ATOM 1669 O LEU A 103 -3.638 4.306 1.606 1.00 11.12 O ATOM 1670 CB LEU A 103 -1.776 1.618 1.512 1.00 12.14 C ATOM 1671 CG LEU A 103 -0.908 2.541 0.585 1.00 50.01 C ATOM 1672 CD1 LEU A 103 -0.020 3.516 1.405 1.00 52.11 C ATOM 1673 CD2 LEU A 103 -0.049 1.709 -0.404 1.00 41.23 C ATOM 0 H LEU A 103 -3.060 0.430 3.316 1.00 33.14 H new ATOM 0 HA LEU A 103 -1.992 3.072 3.073 1.00 23.41 H new ATOM 0 HB2 LEU A 103 -1.111 0.924 2.027 1.00 12.14 H new ATOM 0 HB3 LEU A 103 -2.436 1.020 0.883 1.00 12.14 H new ATOM 0 HG LEU A 103 -1.603 3.144 0.001 1.00 50.01 H new ATOM 0 HD11 LEU A 103 0.564 4.136 0.725 1.00 52.11 H new ATOM 0 HD12 LEU A 103 -0.653 4.153 2.023 1.00 52.11 H new ATOM 0 HD13 LEU A 103 0.654 2.945 2.044 1.00 52.11 H new ATOM 0 HD21 LEU A 103 0.539 2.381 -1.030 1.00 41.23 H new ATOM 0 HD22 LEU A 103 0.621 1.056 0.156 1.00 41.23 H new ATOM 0 HD23 LEU A 103 -0.702 1.105 -1.034 1.00 41.23 H new ATOM 1685 N LEU A 104 -4.994 2.511 1.858 1.00 13.13 N ATOM 1686 CA LEU A 104 -6.259 3.166 1.481 1.00 13.23 C ATOM 1687 C LEU A 104 -6.608 4.325 2.448 1.00 34.12 C ATOM 1688 O LEU A 104 -6.982 5.408 2.007 1.00 3.34 O ATOM 1689 CB LEU A 104 -7.410 2.112 1.436 1.00 35.42 C ATOM 1690 CG LEU A 104 -8.903 2.624 1.295 1.00 12.44 C ATOM 1691 CD1 LEU A 104 -9.110 3.457 0.014 1.00 12.43 C ATOM 1692 CD2 LEU A 104 -9.913 1.447 1.394 1.00 70.43 C ATOM 0 H LEU A 104 -5.097 1.514 2.048 1.00 13.13 H new ATOM 0 HA LEU A 104 -6.138 3.599 0.488 1.00 13.23 H new ATOM 0 HB2 LEU A 104 -7.211 1.440 0.602 1.00 35.42 H new ATOM 0 HB3 LEU A 104 -7.349 1.516 2.347 1.00 35.42 H new ATOM 0 HG LEU A 104 -9.098 3.292 2.134 1.00 12.44 H new ATOM 0 HD11 LEU A 104 -10.147 3.787 -0.042 1.00 12.43 H new ATOM 0 HD12 LEU A 104 -8.453 4.327 0.035 1.00 12.43 H new ATOM 0 HD13 LEU A 104 -8.876 2.847 -0.858 1.00 12.43 H new ATOM 0 HD21 LEU A 104 -10.929 1.830 1.294 1.00 70.43 H new ATOM 0 HD22 LEU A 104 -9.715 0.730 0.597 1.00 70.43 H new ATOM 0 HD23 LEU A 104 -9.805 0.955 2.360 1.00 70.43 H new ATOM 1704 N ILE A 105 -6.485 4.073 3.767 1.00 41.10 N ATOM 1705 CA ILE A 105 -6.763 5.092 4.780 1.00 62.40 C ATOM 1706 C ILE A 105 -5.628 6.136 4.839 1.00 51.02 C ATOM 1707 O ILE A 105 -5.892 7.300 5.099 1.00 32.43 O ATOM 1708 CB ILE A 105 -6.971 4.447 6.220 1.00 3.51 C ATOM 1709 CG1 ILE A 105 -8.191 3.493 6.229 1.00 5.23 C ATOM 1710 CG2 ILE A 105 -7.099 5.470 7.339 1.00 71.14 C ATOM 1711 CD1 ILE A 105 -8.408 2.636 7.458 1.00 72.55 C ATOM 0 H ILE A 105 -6.195 3.172 4.148 1.00 41.10 H new ATOM 0 HA ILE A 105 -7.689 5.587 4.488 1.00 62.40 H new ATOM 0 HB ILE A 105 -6.062 3.881 6.421 1.00 3.51 H new ATOM 0 HG12 ILE A 105 -9.087 4.094 6.077 1.00 5.23 H new ATOM 0 HG13 ILE A 105 -8.103 2.829 5.369 1.00 5.23 H new ATOM 0 HG21 ILE A 105 -7.238 4.954 8.289 1.00 71.14 H new ATOM 0 HG22 ILE A 105 -6.194 6.075 7.384 1.00 71.14 H new ATOM 0 HG23 ILE A 105 -7.957 6.114 7.147 1.00 71.14 H new ATOM 0 HD11 ILE A 105 -9.297 2.021 7.320 1.00 72.55 H new ATOM 0 HD12 ILE A 105 -7.542 1.992 7.610 1.00 72.55 H new ATOM 0 HD13 ILE A 105 -8.541 3.277 8.330 1.00 72.55 H new ATOM 1723 N ILE A 106 -4.383 5.717 4.595 1.00 14.12 N ATOM 1724 CA ILE A 106 -3.195 6.621 4.708 1.00 33.12 C ATOM 1725 C ILE A 106 -3.075 7.600 3.512 1.00 54.14 C ATOM 1726 O ILE A 106 -2.640 8.735 3.703 1.00 42.44 O ATOM 1727 CB ILE A 106 -1.873 5.779 4.934 1.00 42.21 C ATOM 1728 CG1 ILE A 106 -1.885 5.163 6.382 1.00 74.21 C ATOM 1729 CG2 ILE A 106 -0.578 6.581 4.680 1.00 40.15 C ATOM 1730 CD1 ILE A 106 -0.686 4.276 6.724 1.00 51.20 C ATOM 0 H ILE A 106 -4.154 4.763 4.317 1.00 14.12 H new ATOM 0 HA ILE A 106 -3.343 7.249 5.586 1.00 33.12 H new ATOM 0 HB ILE A 106 -1.868 4.981 4.192 1.00 42.21 H new ATOM 0 HG12 ILE A 106 -1.932 5.977 7.105 1.00 74.21 H new ATOM 0 HG13 ILE A 106 -2.796 4.577 6.502 1.00 74.21 H new ATOM 0 HG21 ILE A 106 0.287 5.941 4.854 1.00 40.15 H new ATOM 0 HG22 ILE A 106 -0.566 6.935 3.649 1.00 40.15 H new ATOM 0 HG23 ILE A 106 -0.540 7.434 5.357 1.00 40.15 H new ATOM 0 HD11 ILE A 106 -0.789 3.901 7.742 1.00 51.20 H new ATOM 0 HD12 ILE A 106 -0.645 3.436 6.031 1.00 51.20 H new ATOM 0 HD13 ILE A 106 0.232 4.858 6.643 1.00 51.20 H new ATOM 1742 N ILE A 107 -3.516 7.210 2.295 1.00 1.31 N ATOM 1743 CA ILE A 107 -3.487 8.120 1.100 1.00 12.12 C ATOM 1744 C ILE A 107 -4.685 9.122 1.113 1.00 21.21 C ATOM 1745 O ILE A 107 -5.299 9.420 0.080 1.00 35.23 O ATOM 1746 CB ILE A 107 -3.452 7.295 -0.243 1.00 55.30 C ATOM 1747 CG1 ILE A 107 -4.738 6.416 -0.409 1.00 44.42 C ATOM 1748 CG2 ILE A 107 -2.164 6.436 -0.325 1.00 53.32 C ATOM 1749 CD1 ILE A 107 -4.803 5.611 -1.700 1.00 34.31 C ATOM 0 H ILE A 107 -3.895 6.283 2.103 1.00 1.31 H new ATOM 0 HA ILE A 107 -2.569 8.705 1.158 1.00 12.12 H new ATOM 0 HB ILE A 107 -3.437 8.003 -1.072 1.00 55.30 H new ATOM 0 HG12 ILE A 107 -4.802 5.728 0.434 1.00 44.42 H new ATOM 0 HG13 ILE A 107 -5.613 7.065 -0.358 1.00 44.42 H new ATOM 0 HG21 ILE A 107 -2.160 5.875 -1.259 1.00 53.32 H new ATOM 0 HG22 ILE A 107 -1.290 7.086 -0.288 1.00 53.32 H new ATOM 0 HG23 ILE A 107 -2.135 5.742 0.515 1.00 53.32 H new ATOM 0 HD11 ILE A 107 -5.728 5.035 -1.724 1.00 34.31 H new ATOM 0 HD12 ILE A 107 -4.775 6.289 -2.553 1.00 34.31 H new ATOM 0 HD13 ILE A 107 -3.952 4.932 -1.749 1.00 34.31 H new ATOM 1761 N SER A 108 -4.889 9.720 2.294 1.00 41.51 N ATOM 1762 CA SER A 108 -6.042 10.535 2.648 1.00 22.43 C ATOM 1763 C SER A 108 -7.334 9.703 2.547 1.00 62.02 C ATOM 1764 O SER A 108 -7.679 8.998 3.505 1.00 54.13 O ATOM 1765 CB SER A 108 -6.107 11.866 1.832 1.00 2.34 C ATOM 1766 OG SER A 108 -7.186 12.683 2.258 1.00 10.32 O ATOM 0 H SER A 108 -4.219 9.641 3.059 1.00 41.51 H new ATOM 0 HA SER A 108 -5.931 10.845 3.687 1.00 22.43 H new ATOM 0 HB2 SER A 108 -5.170 12.410 1.946 1.00 2.34 H new ATOM 0 HB3 SER A 108 -6.217 11.639 0.772 1.00 2.34 H new ATOM 0 HG SER A 108 -7.199 13.509 1.730 1.00 10.32 H new