USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 75 GLN : amide:sc= -1.33 K(o=-2.2,f=-1.4) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.829 K(o=-2.2,f=-1.4) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 169:sc= 0.85 (180deg=0) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.742 K(o=1.6,f=-4) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.323 (180deg=-1.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.693 USER MOD Single : A 36 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.26) USER MOD Single : A 44 TYR OH : rot 15:sc= -1.39 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00917) USER MOD Single : A 57 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.51) USER MOD Single : A 59 SER OG : rot -160:sc= 0 USER MOD Single : A 60 CYS SG : rot -6:sc= -3.78! USER MOD Single : A 61 THR OG1 : rot -103:sc= 0.0662 USER MOD Single : A 62 SER OG : rot 70:sc= 1.02 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0185 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.902 USER MOD Single : A 76 ASN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 77 MET CE :methyl 158:sc= -0.0698 (180deg=-1.1) USER MOD Single : A 81 TYR OH : rot 130:sc= 0.624 USER MOD Single : A 90 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.126 15.012 7.611 1.00 14.03 N ATOM 242 CA ASP A 17 3.239 14.083 8.321 1.00 61.32 C ATOM 243 C ASP A 17 1.865 13.978 7.650 1.00 14.02 C ATOM 244 O ASP A 17 1.239 12.930 7.716 1.00 2.21 O ATOM 245 CB ASP A 17 3.051 14.534 9.790 1.00 72.32 C ATOM 246 CG ASP A 17 4.377 14.714 10.544 1.00 62.13 C ATOM 247 OD1 ASP A 17 4.882 13.736 11.127 1.00 42.10 O ATOM 248 OD2 ASP A 17 4.929 15.837 10.548 1.00 2.30 O ATOM 0 HA ASP A 17 3.713 13.102 8.290 1.00 61.32 H new ATOM 0 HB2 ASP A 17 2.501 15.475 9.806 1.00 72.32 H new ATOM 0 HB3 ASP A 17 2.440 13.798 10.313 1.00 72.32 H new ATOM 253 N GLY A 18 1.414 15.078 7.018 1.00 51.43 N ATOM 254 CA GLY A 18 0.090 15.136 6.396 1.00 0.33 C ATOM 255 C GLY A 18 -0.083 14.136 5.256 1.00 12.24 C ATOM 256 O GLY A 18 -1.120 13.459 5.161 1.00 61.12 O ATOM 0 H GLY A 18 1.954 15.938 6.928 1.00 51.43 H new ATOM 0 HA2 GLY A 18 -0.669 14.947 7.155 1.00 0.33 H new ATOM 0 HA3 GLY A 18 -0.082 16.143 6.017 1.00 0.33 H new ATOM 260 N VAL A 19 0.945 14.056 4.388 1.00 35.15 N ATOM 261 CA VAL A 19 0.998 13.097 3.272 1.00 75.11 C ATOM 262 C VAL A 19 1.012 11.660 3.816 1.00 4.34 C ATOM 263 O VAL A 19 0.216 10.828 3.391 1.00 32.44 O ATOM 264 CB VAL A 19 2.257 13.342 2.354 1.00 63.33 C ATOM 265 CG1 VAL A 19 2.366 12.266 1.243 1.00 64.03 C ATOM 266 CG2 VAL A 19 2.223 14.760 1.734 1.00 34.25 C ATOM 0 H VAL A 19 1.765 14.659 4.444 1.00 35.15 H new ATOM 0 HA VAL A 19 0.108 13.245 2.660 1.00 75.11 H new ATOM 0 HB VAL A 19 3.142 13.263 2.985 1.00 63.33 H new ATOM 0 HG11 VAL A 19 3.244 12.465 0.629 1.00 64.03 H new ATOM 0 HG12 VAL A 19 2.458 11.280 1.699 1.00 64.03 H new ATOM 0 HG13 VAL A 19 1.473 12.295 0.619 1.00 64.03 H new ATOM 0 HG21 VAL A 19 3.102 14.904 1.106 1.00 34.25 H new ATOM 0 HG22 VAL A 19 1.323 14.871 1.130 1.00 34.25 H new ATOM 0 HG23 VAL A 19 2.220 15.505 2.530 1.00 34.25 H new ATOM 276 N VAL A 20 1.908 11.427 4.793 1.00 32.41 N ATOM 277 CA VAL A 20 2.086 10.126 5.472 1.00 53.43 C ATOM 278 C VAL A 20 0.755 9.622 6.074 1.00 31.43 C ATOM 279 O VAL A 20 0.393 8.459 5.908 1.00 12.32 O ATOM 280 CB VAL A 20 3.173 10.247 6.608 1.00 52.55 C ATOM 281 CG1 VAL A 20 3.306 8.940 7.419 1.00 0.44 C ATOM 282 CG2 VAL A 20 4.540 10.681 6.025 1.00 63.10 C ATOM 0 H VAL A 20 2.540 12.148 5.140 1.00 32.41 H new ATOM 0 HA VAL A 20 2.421 9.404 4.727 1.00 53.43 H new ATOM 0 HB VAL A 20 2.836 11.022 7.297 1.00 52.55 H new ATOM 0 HG11 VAL A 20 4.065 9.066 8.191 1.00 0.44 H new ATOM 0 HG12 VAL A 20 2.350 8.702 7.886 1.00 0.44 H new ATOM 0 HG13 VAL A 20 3.597 8.127 6.754 1.00 0.44 H new ATOM 0 HG21 VAL A 20 5.271 10.757 6.830 1.00 63.10 H new ATOM 0 HG22 VAL A 20 4.876 9.942 5.297 1.00 63.10 H new ATOM 0 HG23 VAL A 20 4.436 11.650 5.537 1.00 63.10 H new ATOM 292 N ALA A 21 0.032 10.548 6.727 1.00 33.21 N ATOM 293 CA ALA A 21 -1.215 10.264 7.453 1.00 1.02 C ATOM 294 C ALA A 21 -2.342 9.850 6.499 1.00 64.30 C ATOM 295 O ALA A 21 -3.102 8.916 6.796 1.00 74.54 O ATOM 296 CB ALA A 21 -1.636 11.489 8.286 1.00 64.03 C ATOM 0 H ALA A 21 0.303 11.531 6.765 1.00 33.21 H new ATOM 0 HA ALA A 21 -1.028 9.425 8.124 1.00 1.02 H new ATOM 0 HB1 ALA A 21 -2.560 11.266 8.819 1.00 64.03 H new ATOM 0 HB2 ALA A 21 -0.852 11.728 9.004 1.00 64.03 H new ATOM 0 HB3 ALA A 21 -1.794 12.341 7.625 1.00 64.03 H new ATOM 302 N MET A 22 -2.451 10.552 5.350 1.00 25.03 N ATOM 303 CA MET A 22 -3.508 10.267 4.364 1.00 72.31 C ATOM 304 C MET A 22 -3.161 9.028 3.511 1.00 21.11 C ATOM 305 O MET A 22 -4.059 8.399 2.958 1.00 14.34 O ATOM 306 CB MET A 22 -3.845 11.493 3.475 1.00 20.21 C ATOM 307 CG MET A 22 -2.808 11.859 2.402 1.00 34.23 C ATOM 308 SD MET A 22 -3.411 13.127 1.258 1.00 71.34 S ATOM 309 CE MET A 22 -4.901 12.352 0.611 1.00 34.44 C ATOM 0 H MET A 22 -1.825 11.313 5.087 1.00 25.03 H new ATOM 0 HA MET A 22 -4.411 10.042 4.932 1.00 72.31 H new ATOM 0 HB2 MET A 22 -4.798 11.306 2.980 1.00 20.21 H new ATOM 0 HB3 MET A 22 -3.987 12.358 4.123 1.00 20.21 H new ATOM 0 HG2 MET A 22 -1.899 12.214 2.887 1.00 34.23 H new ATOM 0 HG3 MET A 22 -2.541 10.964 1.840 1.00 34.23 H new ATOM 0 HE1 MET A 22 -5.128 12.764 -0.372 1.00 34.44 H new ATOM 0 HE2 MET A 22 -4.744 11.277 0.526 1.00 34.44 H new ATOM 0 HE3 MET A 22 -5.734 12.545 1.287 1.00 34.44 H new ATOM 319 N ILE A 23 -1.853 8.677 3.420 1.00 20.34 N ATOM 320 CA ILE A 23 -1.420 7.385 2.845 1.00 23.41 C ATOM 321 C ILE A 23 -1.911 6.259 3.770 1.00 63.30 C ATOM 322 O ILE A 23 -2.592 5.343 3.312 1.00 25.43 O ATOM 323 CB ILE A 23 0.148 7.283 2.641 1.00 21.31 C ATOM 324 CG1 ILE A 23 0.638 8.295 1.558 1.00 14.24 C ATOM 325 CG2 ILE A 23 0.578 5.840 2.268 1.00 1.43 C ATOM 326 CD1 ILE A 23 2.138 8.315 1.316 1.00 43.05 C ATOM 0 H ILE A 23 -1.086 9.270 3.737 1.00 20.34 H new ATOM 0 HA ILE A 23 -1.856 7.296 1.850 1.00 23.41 H new ATOM 0 HB ILE A 23 0.618 7.540 3.591 1.00 21.31 H new ATOM 0 HG12 ILE A 23 0.138 8.064 0.617 1.00 14.24 H new ATOM 0 HG13 ILE A 23 0.321 9.296 1.850 1.00 14.24 H new ATOM 0 HG21 ILE A 23 1.659 5.805 2.135 1.00 1.43 H new ATOM 0 HG22 ILE A 23 0.288 5.156 3.066 1.00 1.43 H new ATOM 0 HG23 ILE A 23 0.089 5.543 1.340 1.00 1.43 H new ATOM 0 HD11 ILE A 23 2.373 9.051 0.547 1.00 43.05 H new ATOM 0 HD12 ILE A 23 2.652 8.580 2.240 1.00 43.05 H new ATOM 0 HD13 ILE A 23 2.467 7.329 0.987 1.00 43.05 H new ATOM 338 N LYS A 24 -1.603 6.402 5.085 1.00 45.55 N ATOM 339 CA LYS A 24 -2.011 5.447 6.137 1.00 1.42 C ATOM 340 C LYS A 24 -3.525 5.190 6.111 1.00 14.23 C ATOM 341 O LYS A 24 -3.949 4.043 6.247 1.00 2.11 O ATOM 342 CB LYS A 24 -1.613 5.952 7.555 1.00 4.50 C ATOM 343 CG LYS A 24 -0.106 5.944 7.870 1.00 11.05 C ATOM 344 CD LYS A 24 0.165 6.413 9.325 1.00 44.23 C ATOM 345 CE LYS A 24 1.652 6.477 9.674 1.00 73.43 C ATOM 346 NZ LYS A 24 1.882 6.932 11.073 1.00 42.42 N ATOM 0 H LYS A 24 -1.061 7.189 5.442 1.00 45.55 H new ATOM 0 HA LYS A 24 -1.485 4.516 5.926 1.00 1.42 H new ATOM 0 HB2 LYS A 24 -1.985 6.970 7.675 1.00 4.50 H new ATOM 0 HB3 LYS A 24 -2.123 5.336 8.296 1.00 4.50 H new ATOM 0 HG2 LYS A 24 0.293 4.939 7.729 1.00 11.05 H new ATOM 0 HG3 LYS A 24 0.418 6.596 7.171 1.00 11.05 H new ATOM 0 HD2 LYS A 24 -0.278 7.399 9.470 1.00 44.23 H new ATOM 0 HD3 LYS A 24 -0.334 5.735 10.017 1.00 44.23 H new ATOM 0 HE2 LYS A 24 2.099 5.492 9.536 1.00 73.43 H new ATOM 0 HE3 LYS A 24 2.156 7.155 8.986 1.00 73.43 H new ATOM 0 HZ1 LYS A 24 2.904 6.960 11.265 1.00 42.42 H new ATOM 0 HZ2 LYS A 24 1.479 7.883 11.200 1.00 42.42 H new ATOM 0 HZ3 LYS A 24 1.424 6.271 11.733 1.00 42.42 H new ATOM 360 N GLU A 25 -4.325 6.268 5.917 1.00 45.11 N ATOM 361 CA GLU A 25 -5.791 6.166 5.962 1.00 64.13 C ATOM 362 C GLU A 25 -6.323 5.486 4.681 1.00 22.03 C ATOM 363 O GLU A 25 -7.175 4.622 4.786 1.00 0.21 O ATOM 364 CB GLU A 25 -6.485 7.545 6.230 1.00 61.14 C ATOM 365 CG GLU A 25 -6.772 8.421 4.995 1.00 2.30 C ATOM 366 CD GLU A 25 -7.451 9.759 5.345 1.00 44.03 C ATOM 367 OE1 GLU A 25 -8.699 9.817 5.385 1.00 42.25 O ATOM 368 OE2 GLU A 25 -6.742 10.756 5.608 1.00 60.11 O ATOM 0 H GLU A 25 -3.975 7.208 5.730 1.00 45.11 H new ATOM 0 HA GLU A 25 -6.050 5.537 6.813 1.00 64.13 H new ATOM 0 HB2 GLU A 25 -7.429 7.358 6.743 1.00 61.14 H new ATOM 0 HB3 GLU A 25 -5.858 8.116 6.915 1.00 61.14 H new ATOM 0 HG2 GLU A 25 -5.836 8.621 4.474 1.00 2.30 H new ATOM 0 HG3 GLU A 25 -7.409 7.867 4.305 1.00 2.30 H new ATOM 375 N LEU A 26 -5.776 5.839 3.481 1.00 3.13 N ATOM 376 CA LEU A 26 -6.205 5.231 2.187 1.00 0.24 C ATOM 377 C LEU A 26 -5.932 3.713 2.176 1.00 54.25 C ATOM 378 O LEU A 26 -6.702 2.936 1.606 1.00 62.04 O ATOM 379 CB LEU A 26 -5.503 5.908 0.974 1.00 41.13 C ATOM 380 CG LEU A 26 -5.922 7.378 0.653 1.00 1.21 C ATOM 381 CD1 LEU A 26 -5.142 7.916 -0.562 1.00 44.31 C ATOM 382 CD2 LEU A 26 -7.443 7.501 0.425 1.00 3.25 C ATOM 0 H LEU A 26 -5.040 6.539 3.384 1.00 3.13 H new ATOM 0 HA LEU A 26 -7.278 5.397 2.093 1.00 0.24 H new ATOM 0 HB2 LEU A 26 -4.427 5.891 1.150 1.00 41.13 H new ATOM 0 HB3 LEU A 26 -5.690 5.300 0.089 1.00 41.13 H new ATOM 0 HG LEU A 26 -5.671 7.987 1.522 1.00 1.21 H new ATOM 0 HD11 LEU A 26 -5.450 8.941 -0.767 1.00 44.31 H new ATOM 0 HD12 LEU A 26 -4.074 7.894 -0.347 1.00 44.31 H new ATOM 0 HD13 LEU A 26 -5.350 7.294 -1.432 1.00 44.31 H new ATOM 0 HD21 LEU A 26 -7.695 8.538 0.204 1.00 3.25 H new ATOM 0 HD22 LEU A 26 -7.737 6.870 -0.413 1.00 3.25 H new ATOM 0 HD23 LEU A 26 -7.972 7.182 1.323 1.00 3.25 H new ATOM 394 N LEU A 27 -4.824 3.319 2.826 1.00 53.21 N ATOM 395 CA LEU A 27 -4.485 1.912 3.061 1.00 20.00 C ATOM 396 C LEU A 27 -5.505 1.279 4.023 1.00 23.25 C ATOM 397 O LEU A 27 -6.165 0.316 3.685 1.00 20.51 O ATOM 398 CB LEU A 27 -3.062 1.787 3.660 1.00 2.21 C ATOM 399 CG LEU A 27 -1.899 2.343 2.793 1.00 23.42 C ATOM 400 CD1 LEU A 27 -0.590 2.395 3.598 1.00 21.22 C ATOM 401 CD2 LEU A 27 -1.731 1.536 1.497 1.00 34.35 C ATOM 0 H LEU A 27 -4.138 3.973 3.203 1.00 53.21 H new ATOM 0 HA LEU A 27 -4.512 1.388 2.106 1.00 20.00 H new ATOM 0 HB2 LEU A 27 -3.049 2.302 4.621 1.00 2.21 H new ATOM 0 HB3 LEU A 27 -2.866 0.734 3.860 1.00 2.21 H new ATOM 0 HG LEU A 27 -2.154 3.364 2.507 1.00 23.42 H new ATOM 0 HD11 LEU A 27 0.209 2.788 2.969 1.00 21.22 H new ATOM 0 HD12 LEU A 27 -0.721 3.043 4.465 1.00 21.22 H new ATOM 0 HD13 LEU A 27 -0.328 1.391 3.932 1.00 21.22 H new ATOM 0 HD21 LEU A 27 -0.909 1.951 0.914 1.00 34.35 H new ATOM 0 HD22 LEU A 27 -1.513 0.496 1.741 1.00 34.35 H new ATOM 0 HD23 LEU A 27 -2.651 1.587 0.915 1.00 34.35 H new ATOM 413 N ASP A 28 -5.668 1.906 5.194 1.00 21.14 N ATOM 414 CA ASP A 28 -6.409 1.329 6.336 1.00 43.21 C ATOM 415 C ASP A 28 -7.918 1.195 6.052 1.00 41.34 C ATOM 416 O ASP A 28 -8.561 0.265 6.538 1.00 31.45 O ATOM 417 CB ASP A 28 -6.149 2.175 7.614 1.00 2.44 C ATOM 418 CG ASP A 28 -6.738 1.565 8.899 1.00 32.34 C ATOM 419 OD1 ASP A 28 -6.280 0.479 9.313 1.00 33.22 O ATOM 420 OD2 ASP A 28 -7.642 2.171 9.510 1.00 0.02 O ATOM 0 H ASP A 28 -5.289 2.834 5.383 1.00 21.14 H new ATOM 0 HA ASP A 28 -6.038 0.317 6.497 1.00 43.21 H new ATOM 0 HB2 ASP A 28 -5.074 2.299 7.743 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -6.570 3.170 7.470 1.00 2.44 H new ATOM 425 N THR A 29 -8.459 2.107 5.236 1.00 33.01 N ATOM 426 CA THR A 29 -9.902 2.180 4.938 1.00 63.21 C ATOM 427 C THR A 29 -10.278 1.344 3.692 1.00 44.05 C ATOM 428 O THR A 29 -11.365 0.753 3.646 1.00 71.21 O ATOM 429 CB THR A 29 -10.340 3.669 4.742 1.00 40.24 C ATOM 430 OG1 THR A 29 -9.588 4.260 3.671 1.00 22.11 O ATOM 431 CG2 THR A 29 -10.132 4.498 6.025 1.00 41.44 C ATOM 0 H THR A 29 -7.909 2.821 4.759 1.00 33.01 H new ATOM 0 HA THR A 29 -10.434 1.757 5.790 1.00 63.21 H new ATOM 0 HB THR A 29 -11.403 3.672 4.502 1.00 40.24 H new ATOM 0 HG1 THR A 29 -8.729 4.584 4.014 1.00 22.11 H new ATOM 0 HG21 THR A 29 -10.448 5.526 5.849 1.00 41.44 H new ATOM 0 HG22 THR A 29 -10.724 4.070 6.834 1.00 41.44 H new ATOM 0 HG23 THR A 29 -9.077 4.484 6.300 1.00 41.44 H new ATOM 439 N ARG A 30 -9.377 1.294 2.691 1.00 20.01 N ATOM 440 CA ARG A 30 -9.640 0.598 1.406 1.00 22.54 C ATOM 441 C ARG A 30 -8.874 -0.729 1.327 1.00 41.41 C ATOM 442 O ARG A 30 -9.479 -1.804 1.224 1.00 10.12 O ATOM 443 CB ARG A 30 -9.229 1.491 0.202 1.00 15.31 C ATOM 444 CG ARG A 30 -9.884 2.884 0.168 1.00 74.21 C ATOM 445 CD ARG A 30 -9.464 3.709 -1.062 1.00 73.51 C ATOM 446 NE ARG A 30 -9.895 3.082 -2.330 1.00 43.24 N ATOM 447 CZ ARG A 30 -10.301 3.746 -3.427 1.00 33.43 C ATOM 448 NH1 ARG A 30 -10.355 5.070 -3.439 1.00 54.32 N ATOM 449 NH2 ARG A 30 -10.680 3.064 -4.497 1.00 24.42 N ATOM 0 H ARG A 30 -8.455 1.728 2.744 1.00 20.01 H new ATOM 0 HA ARG A 30 -10.710 0.395 1.361 1.00 22.54 H new ATOM 0 HB2 ARG A 30 -8.146 1.616 0.215 1.00 15.31 H new ATOM 0 HB3 ARG A 30 -9.478 0.967 -0.721 1.00 15.31 H new ATOM 0 HG2 ARG A 30 -10.968 2.771 0.172 1.00 74.21 H new ATOM 0 HG3 ARG A 30 -9.617 3.428 1.074 1.00 74.21 H new ATOM 0 HD2 ARG A 30 -9.892 4.709 -0.990 1.00 73.51 H new ATOM 0 HD3 ARG A 30 -8.380 3.825 -1.066 1.00 73.51 H new ATOM 0 HE ARG A 30 -9.883 2.063 -2.377 1.00 43.24 H new ATOM 0 HH11 ARG A 30 -10.087 5.599 -2.609 1.00 54.32 H new ATOM 0 HH12 ARG A 30 -10.665 5.560 -4.278 1.00 54.32 H new ATOM 0 HH21 ARG A 30 -10.662 2.044 -4.484 1.00 24.42 H new ATOM 0 HH22 ARG A 30 -10.990 3.558 -5.334 1.00 24.42 H new ATOM 463 N ILE A 31 -7.537 -0.632 1.423 1.00 71.13 N ATOM 464 CA ILE A 31 -6.625 -1.722 1.047 1.00 43.13 C ATOM 465 C ILE A 31 -6.670 -2.842 2.098 1.00 41.32 C ATOM 466 O ILE A 31 -7.083 -3.947 1.769 1.00 12.42 O ATOM 467 CB ILE A 31 -5.153 -1.190 0.849 1.00 2.32 C ATOM 468 CG1 ILE A 31 -5.092 -0.120 -0.288 1.00 30.43 C ATOM 469 CG2 ILE A 31 -4.143 -2.332 0.583 1.00 20.53 C ATOM 470 CD1 ILE A 31 -5.509 -0.612 -1.675 1.00 43.34 C ATOM 0 H ILE A 31 -7.060 0.203 1.763 1.00 71.13 H new ATOM 0 HA ILE A 31 -6.957 -2.132 0.093 1.00 43.13 H new ATOM 0 HB ILE A 31 -4.861 -0.717 1.787 1.00 2.32 H new ATOM 0 HG12 ILE A 31 -5.732 0.717 -0.010 1.00 30.43 H new ATOM 0 HG13 ILE A 31 -4.074 0.264 -0.348 1.00 30.43 H new ATOM 0 HG21 ILE A 31 -3.145 -1.913 0.454 1.00 20.53 H new ATOM 0 HG22 ILE A 31 -4.141 -3.020 1.428 1.00 20.53 H new ATOM 0 HG23 ILE A 31 -4.431 -2.869 -0.321 1.00 20.53 H new ATOM 0 HD11 ILE A 31 -5.431 0.207 -2.390 1.00 43.34 H new ATOM 0 HD12 ILE A 31 -4.855 -1.427 -1.984 1.00 43.34 H new ATOM 0 HD13 ILE A 31 -6.539 -0.967 -1.641 1.00 43.34 H new ATOM 482 N ARG A 32 -6.294 -2.511 3.364 1.00 30.43 N ATOM 483 CA ARG A 32 -6.228 -3.473 4.489 1.00 21.13 C ATOM 484 C ARG A 32 -7.516 -4.344 4.598 1.00 41.20 C ATOM 485 O ARG A 32 -7.363 -5.550 4.653 1.00 62.03 O ATOM 486 CB ARG A 32 -5.914 -2.791 5.860 1.00 0.20 C ATOM 487 CG ARG A 32 -4.587 -2.015 5.898 1.00 33.03 C ATOM 488 CD ARG A 32 -4.210 -1.537 7.311 1.00 11.13 C ATOM 489 NE ARG A 32 -3.883 -2.670 8.190 1.00 54.15 N ATOM 490 CZ ARG A 32 -3.993 -2.692 9.529 1.00 62.20 C ATOM 491 NH1 ARG A 32 -4.452 -1.643 10.215 1.00 23.33 N ATOM 492 NH2 ARG A 32 -3.691 -3.810 10.165 1.00 44.52 N ATOM 0 H ARG A 32 -6.028 -1.563 3.629 1.00 30.43 H new ATOM 0 HA ARG A 32 -5.391 -4.131 4.254 1.00 21.13 H new ATOM 0 HB2 ARG A 32 -6.727 -2.108 6.106 1.00 0.20 H new ATOM 0 HB3 ARG A 32 -5.895 -3.556 6.636 1.00 0.20 H new ATOM 0 HG2 ARG A 32 -3.790 -2.650 5.511 1.00 33.03 H new ATOM 0 HG3 ARG A 32 -4.658 -1.152 5.236 1.00 33.03 H new ATOM 0 HD2 ARG A 32 -3.357 -0.861 7.253 1.00 11.13 H new ATOM 0 HD3 ARG A 32 -5.037 -0.970 7.738 1.00 11.13 H new ATOM 0 HE ARG A 32 -3.540 -3.519 7.741 1.00 54.15 H new ATOM 0 HH11 ARG A 32 -4.731 -0.794 9.723 1.00 23.33 H new ATOM 0 HH12 ARG A 32 -4.524 -1.690 11.231 1.00 23.33 H new ATOM 0 HH21 ARG A 32 -3.383 -4.628 9.640 1.00 44.52 H new ATOM 0 HH22 ARG A 32 -3.766 -3.855 11.181 1.00 44.52 H new ATOM 506 N PRO A 33 -8.803 -3.765 4.610 1.00 35.14 N ATOM 507 CA PRO A 33 -10.058 -4.576 4.592 1.00 61.11 C ATOM 508 C PRO A 33 -10.069 -5.653 3.487 1.00 74.01 C ATOM 509 O PRO A 33 -10.210 -6.834 3.793 1.00 61.44 O ATOM 510 CB PRO A 33 -11.176 -3.518 4.368 1.00 3.33 C ATOM 511 CG PRO A 33 -10.624 -2.279 4.991 1.00 64.04 C ATOM 512 CD PRO A 33 -9.138 -2.308 4.682 1.00 70.31 C ATOM 0 HA PRO A 33 -10.182 -5.146 5.513 1.00 61.11 H new ATOM 0 HB2 PRO A 33 -11.384 -3.374 3.308 1.00 3.33 H new ATOM 0 HB3 PRO A 33 -12.112 -3.819 4.838 1.00 3.33 H new ATOM 0 HG2 PRO A 33 -11.095 -1.387 4.578 1.00 64.04 H new ATOM 0 HG3 PRO A 33 -10.803 -2.265 6.066 1.00 64.04 H new ATOM 0 HD2 PRO A 33 -8.917 -1.802 3.742 1.00 70.31 H new ATOM 0 HD3 PRO A 33 -8.561 -1.805 5.458 1.00 70.31 H new ATOM 520 N THR A 34 -9.841 -5.219 2.225 1.00 2.25 N ATOM 521 CA THR A 34 -9.882 -6.089 1.022 1.00 64.21 C ATOM 522 C THR A 34 -8.839 -7.233 1.105 1.00 0.21 C ATOM 523 O THR A 34 -9.137 -8.402 0.819 1.00 11.34 O ATOM 524 CB THR A 34 -9.620 -5.226 -0.260 1.00 1.45 C ATOM 525 OG1 THR A 34 -10.505 -4.095 -0.261 1.00 42.34 O ATOM 526 CG2 THR A 34 -9.815 -6.018 -1.570 1.00 62.33 C ATOM 0 H THR A 34 -9.621 -4.247 2.010 1.00 2.25 H new ATOM 0 HA THR A 34 -10.871 -6.543 0.970 1.00 64.21 H new ATOM 0 HB THR A 34 -8.578 -4.909 -0.224 1.00 1.45 H new ATOM 0 HG1 THR A 34 -10.110 -3.370 0.267 1.00 42.34 H new ATOM 0 HG21 THR A 34 -9.619 -5.366 -2.422 1.00 62.33 H new ATOM 0 HG22 THR A 34 -9.124 -6.861 -1.592 1.00 62.33 H new ATOM 0 HG23 THR A 34 -10.839 -6.387 -1.623 1.00 62.33 H new ATOM 534 N VAL A 35 -7.620 -6.856 1.522 1.00 73.13 N ATOM 535 CA VAL A 35 -6.464 -7.760 1.642 1.00 21.24 C ATOM 536 C VAL A 35 -6.684 -8.776 2.799 1.00 61.11 C ATOM 537 O VAL A 35 -6.312 -9.952 2.682 1.00 20.13 O ATOM 538 CB VAL A 35 -5.132 -6.916 1.813 1.00 20.15 C ATOM 539 CG1 VAL A 35 -3.877 -7.802 1.948 1.00 42.10 C ATOM 540 CG2 VAL A 35 -4.956 -5.948 0.618 1.00 2.23 C ATOM 0 H VAL A 35 -7.406 -5.896 1.791 1.00 73.13 H new ATOM 0 HA VAL A 35 -6.361 -8.345 0.728 1.00 21.24 H new ATOM 0 HB VAL A 35 -5.235 -6.353 2.740 1.00 20.15 H new ATOM 0 HG11 VAL A 35 -2.996 -7.170 2.062 1.00 42.10 H new ATOM 0 HG12 VAL A 35 -3.978 -8.445 2.822 1.00 42.10 H new ATOM 0 HG13 VAL A 35 -3.769 -8.418 1.055 1.00 42.10 H new ATOM 0 HG21 VAL A 35 -4.038 -5.374 0.747 1.00 2.23 H new ATOM 0 HG22 VAL A 35 -4.899 -6.520 -0.308 1.00 2.23 H new ATOM 0 HG23 VAL A 35 -5.806 -5.267 0.573 1.00 2.23 H new ATOM 550 N GLN A 36 -7.365 -8.324 3.878 1.00 75.03 N ATOM 551 CA GLN A 36 -7.725 -9.185 5.038 1.00 30.13 C ATOM 552 C GLN A 36 -8.895 -10.128 4.699 1.00 23.34 C ATOM 553 O GLN A 36 -9.004 -11.209 5.293 1.00 14.03 O ATOM 554 CB GLN A 36 -8.060 -8.329 6.296 1.00 32.21 C ATOM 555 CG GLN A 36 -6.865 -7.534 6.878 1.00 31.34 C ATOM 556 CD GLN A 36 -7.259 -6.584 8.021 1.00 43.10 C ATOM 557 OE1 GLN A 36 -8.197 -6.851 8.775 1.00 62.15 O ATOM 558 NE2 GLN A 36 -6.574 -5.456 8.143 1.00 4.11 N ATOM 0 H GLN A 36 -7.680 -7.359 3.973 1.00 75.03 H new ATOM 0 HA GLN A 36 -6.853 -9.798 5.266 1.00 30.13 H new ATOM 0 HB2 GLN A 36 -8.854 -7.628 6.040 1.00 32.21 H new ATOM 0 HB3 GLN A 36 -8.453 -8.987 7.071 1.00 32.21 H new ATOM 0 HG2 GLN A 36 -6.115 -8.236 7.242 1.00 31.34 H new ATOM 0 HG3 GLN A 36 -6.400 -6.956 6.080 1.00 31.34 H new ATOM 0 HE21 GLN A 36 -5.802 -5.257 7.507 1.00 4.11 H new ATOM 0 HE22 GLN A 36 -6.819 -4.787 8.873 1.00 4.11 H new ATOM 567 N GLU A 37 -9.758 -9.719 3.741 1.00 74.45 N ATOM 568 CA GLU A 37 -10.825 -10.590 3.198 1.00 42.05 C ATOM 569 C GLU A 37 -10.199 -11.772 2.440 1.00 13.24 C ATOM 570 O GLU A 37 -10.737 -12.884 2.440 1.00 51.55 O ATOM 571 CB GLU A 37 -11.772 -9.801 2.246 1.00 71.42 C ATOM 572 CG GLU A 37 -12.598 -8.678 2.912 1.00 70.14 C ATOM 573 CD GLU A 37 -13.664 -9.190 3.900 1.00 25.21 C ATOM 574 OE1 GLU A 37 -14.807 -9.465 3.471 1.00 14.05 O ATOM 575 OE2 GLU A 37 -13.364 -9.337 5.103 1.00 20.11 O ATOM 0 H GLU A 37 -9.735 -8.787 3.327 1.00 74.45 H new ATOM 0 HA GLU A 37 -11.416 -10.960 4.036 1.00 42.05 H new ATOM 0 HB2 GLU A 37 -11.173 -9.363 1.447 1.00 71.42 H new ATOM 0 HB3 GLU A 37 -12.460 -10.506 1.779 1.00 71.42 H new ATOM 0 HG2 GLU A 37 -11.921 -8.006 3.439 1.00 70.14 H new ATOM 0 HG3 GLU A 37 -13.088 -8.091 2.135 1.00 70.14 H new ATOM 582 N ASP A 38 -9.051 -11.497 1.784 1.00 62.23 N ATOM 583 CA ASP A 38 -8.265 -12.514 1.060 1.00 1.34 C ATOM 584 C ASP A 38 -7.400 -13.333 2.048 1.00 12.43 C ATOM 585 O ASP A 38 -7.062 -14.488 1.782 1.00 22.51 O ATOM 586 CB ASP A 38 -7.380 -11.806 -0.008 1.00 21.34 C ATOM 587 CG ASP A 38 -6.674 -12.786 -0.966 1.00 74.01 C ATOM 588 OD1 ASP A 38 -7.284 -13.178 -1.985 1.00 63.54 O ATOM 589 OD2 ASP A 38 -5.529 -13.194 -0.692 1.00 64.33 O ATOM 0 H ASP A 38 -8.645 -10.562 1.743 1.00 62.23 H new ATOM 0 HA ASP A 38 -8.938 -13.210 0.558 1.00 1.34 H new ATOM 0 HB2 ASP A 38 -8.001 -11.125 -0.590 1.00 21.34 H new ATOM 0 HB3 ASP A 38 -6.629 -11.199 0.498 1.00 21.34 H new ATOM 594 N GLY A 39 -7.095 -12.736 3.214 1.00 53.45 N ATOM 595 CA GLY A 39 -6.368 -13.417 4.293 1.00 22.33 C ATOM 596 C GLY A 39 -5.084 -12.698 4.702 1.00 33.35 C ATOM 597 O GLY A 39 -4.578 -12.911 5.811 1.00 73.24 O ATOM 0 H GLY A 39 -7.346 -11.772 3.431 1.00 53.45 H new ATOM 0 HA2 GLY A 39 -7.020 -13.505 5.162 1.00 22.33 H new ATOM 0 HA3 GLY A 39 -6.123 -14.430 3.974 1.00 22.33 H new ATOM 601 N GLY A 40 -4.553 -11.849 3.801 1.00 15.11 N ATOM 602 CA GLY A 40 -3.324 -11.077 4.058 1.00 43.00 C ATOM 603 C GLY A 40 -3.569 -9.798 4.856 1.00 41.02 C ATOM 604 O GLY A 40 -4.607 -9.656 5.502 1.00 62.40 O ATOM 0 H GLY A 40 -4.961 -11.680 2.881 1.00 15.11 H new ATOM 0 HA2 GLY A 40 -2.616 -11.704 4.599 1.00 43.00 H new ATOM 0 HA3 GLY A 40 -2.859 -10.820 3.106 1.00 43.00 H new ATOM 608 N ASP A 41 -2.593 -8.876 4.808 1.00 13.34 N ATOM 609 CA ASP A 41 -2.673 -7.546 5.449 1.00 20.41 C ATOM 610 C ASP A 41 -1.489 -6.692 4.963 1.00 74.01 C ATOM 611 O ASP A 41 -0.468 -7.239 4.522 1.00 0.50 O ATOM 612 CB ASP A 41 -2.679 -7.664 7.007 1.00 5.32 C ATOM 613 CG ASP A 41 -2.873 -6.321 7.743 1.00 13.22 C ATOM 614 OD1 ASP A 41 -3.734 -5.522 7.317 1.00 51.02 O ATOM 615 OD2 ASP A 41 -2.174 -6.062 8.746 1.00 54.12 O ATOM 0 H ASP A 41 -1.713 -9.032 4.317 1.00 13.34 H new ATOM 0 HA ASP A 41 -3.610 -7.066 5.166 1.00 20.41 H new ATOM 0 HB2 ASP A 41 -3.474 -8.347 7.305 1.00 5.32 H new ATOM 0 HB3 ASP A 41 -1.738 -8.110 7.330 1.00 5.32 H new ATOM 620 N VAL A 42 -1.631 -5.356 5.024 1.00 44.14 N ATOM 621 CA VAL A 42 -0.561 -4.413 4.644 1.00 30.21 C ATOM 622 C VAL A 42 -0.246 -3.514 5.864 1.00 44.33 C ATOM 623 O VAL A 42 -1.138 -2.881 6.447 1.00 24.22 O ATOM 624 CB VAL A 42 -0.899 -3.570 3.336 1.00 34.21 C ATOM 625 CG1 VAL A 42 -1.249 -4.500 2.149 1.00 43.52 C ATOM 626 CG2 VAL A 42 -2.020 -2.533 3.550 1.00 13.34 C ATOM 0 H VAL A 42 -2.488 -4.899 5.337 1.00 44.14 H new ATOM 0 HA VAL A 42 0.327 -4.984 4.373 1.00 30.21 H new ATOM 0 HB VAL A 42 0.006 -3.011 3.100 1.00 34.21 H new ATOM 0 HG11 VAL A 42 -1.475 -3.898 1.269 1.00 43.52 H new ATOM 0 HG12 VAL A 42 -0.401 -5.151 1.935 1.00 43.52 H new ATOM 0 HG13 VAL A 42 -2.117 -5.107 2.406 1.00 43.52 H new ATOM 0 HG21 VAL A 42 -2.200 -1.994 2.620 1.00 13.34 H new ATOM 0 HG22 VAL A 42 -2.934 -3.043 3.856 1.00 13.34 H new ATOM 0 HG23 VAL A 42 -1.720 -1.828 4.326 1.00 13.34 H new ATOM 636 N ILE A 43 1.020 -3.551 6.299 1.00 71.43 N ATOM 637 CA ILE A 43 1.514 -2.814 7.472 1.00 4.14 C ATOM 638 C ILE A 43 2.390 -1.654 6.968 1.00 41.50 C ATOM 639 O ILE A 43 3.412 -1.901 6.316 1.00 65.05 O ATOM 640 CB ILE A 43 2.348 -3.753 8.451 1.00 72.01 C ATOM 641 CG1 ILE A 43 1.482 -4.941 9.027 1.00 21.33 C ATOM 642 CG2 ILE A 43 3.001 -2.943 9.604 1.00 64.14 C ATOM 643 CD1 ILE A 43 1.222 -6.096 8.065 1.00 41.25 C ATOM 0 H ILE A 43 1.743 -4.103 5.838 1.00 71.43 H new ATOM 0 HA ILE A 43 0.666 -2.437 8.044 1.00 4.14 H new ATOM 0 HB ILE A 43 3.144 -4.191 7.849 1.00 72.01 H new ATOM 0 HG12 ILE A 43 1.982 -5.335 9.912 1.00 21.33 H new ATOM 0 HG13 ILE A 43 0.522 -4.541 9.354 1.00 21.33 H new ATOM 0 HG21 ILE A 43 3.561 -3.618 10.251 1.00 64.14 H new ATOM 0 HG22 ILE A 43 3.676 -2.196 9.187 1.00 64.14 H new ATOM 0 HG23 ILE A 43 2.224 -2.446 10.185 1.00 64.14 H new ATOM 0 HD11 ILE A 43 0.619 -6.855 8.563 1.00 41.25 H new ATOM 0 HD12 ILE A 43 0.689 -5.727 7.189 1.00 41.25 H new ATOM 0 HD13 ILE A 43 2.172 -6.532 7.755 1.00 41.25 H new ATOM 655 N TYR A 44 1.983 -0.397 7.248 1.00 22.54 N ATOM 656 CA TYR A 44 2.731 0.791 6.805 1.00 63.23 C ATOM 657 C TYR A 44 4.082 0.857 7.548 1.00 61.41 C ATOM 658 O TYR A 44 4.117 1.037 8.767 1.00 22.32 O ATOM 659 CB TYR A 44 1.911 2.089 7.028 1.00 12.51 C ATOM 660 CG TYR A 44 2.584 3.366 6.477 1.00 44.32 C ATOM 661 CD1 TYR A 44 2.518 3.680 5.117 1.00 43.20 C ATOM 662 CD2 TYR A 44 3.284 4.253 7.308 1.00 12.11 C ATOM 663 CE1 TYR A 44 3.104 4.825 4.618 1.00 45.43 C ATOM 664 CE2 TYR A 44 3.861 5.398 6.805 1.00 32.13 C ATOM 665 CZ TYR A 44 3.774 5.675 5.466 1.00 11.14 C ATOM 666 OH TYR A 44 4.338 6.823 4.976 1.00 14.21 O ATOM 0 H TYR A 44 1.139 -0.183 7.780 1.00 22.54 H new ATOM 0 HA TYR A 44 2.917 0.707 5.734 1.00 63.23 H new ATOM 0 HB2 TYR A 44 0.935 1.974 6.557 1.00 12.51 H new ATOM 0 HB3 TYR A 44 1.736 2.216 8.096 1.00 12.51 H new ATOM 0 HD1 TYR A 44 1.999 3.014 4.444 1.00 43.20 H new ATOM 0 HD2 TYR A 44 3.372 4.034 8.362 1.00 12.11 H new ATOM 0 HE1 TYR A 44 3.037 5.053 3.564 1.00 45.43 H new ATOM 0 HE2 TYR A 44 4.381 6.076 7.465 1.00 32.13 H new ATOM 0 HH TYR A 44 3.980 7.008 4.083 1.00 14.21 H new ATOM 676 N LYS A 45 5.171 0.668 6.797 1.00 42.42 N ATOM 677 CA LYS A 45 6.537 0.618 7.334 1.00 71.45 C ATOM 678 C LYS A 45 7.219 1.987 7.241 1.00 43.24 C ATOM 679 O LYS A 45 7.759 2.480 8.238 1.00 23.43 O ATOM 680 CB LYS A 45 7.348 -0.456 6.564 1.00 32.13 C ATOM 681 CG LYS A 45 6.853 -1.915 6.748 1.00 52.22 C ATOM 682 CD LYS A 45 7.440 -2.632 7.995 1.00 5.24 C ATOM 683 CE LYS A 45 6.835 -2.210 9.344 1.00 32.31 C ATOM 684 NZ LYS A 45 7.600 -2.775 10.494 1.00 20.24 N ATOM 0 H LYS A 45 5.130 0.544 5.785 1.00 42.42 H new ATOM 0 HA LYS A 45 6.494 0.349 8.390 1.00 71.45 H new ATOM 0 HB2 LYS A 45 7.326 -0.213 5.502 1.00 32.13 H new ATOM 0 HB3 LYS A 45 8.389 -0.400 6.882 1.00 32.13 H new ATOM 0 HG2 LYS A 45 5.766 -1.912 6.823 1.00 52.22 H new ATOM 0 HG3 LYS A 45 7.110 -2.489 5.858 1.00 52.22 H new ATOM 0 HD2 LYS A 45 7.301 -3.706 7.874 1.00 5.24 H new ATOM 0 HD3 LYS A 45 8.514 -2.451 8.025 1.00 5.24 H new ATOM 0 HE2 LYS A 45 6.824 -1.122 9.414 1.00 32.31 H new ATOM 0 HE3 LYS A 45 5.799 -2.543 9.398 1.00 32.31 H new ATOM 0 HZ1 LYS A 45 7.162 -2.469 11.386 1.00 20.24 H new ATOM 0 HZ2 LYS A 45 7.589 -3.814 10.442 1.00 20.24 H new ATOM 0 HZ3 LYS A 45 8.583 -2.437 10.457 1.00 20.24 H new ATOM 698 N GLY A 46 7.169 2.604 6.047 1.00 54.23 N ATOM 699 CA GLY A 46 7.896 3.857 5.806 1.00 50.11 C ATOM 700 C GLY A 46 7.505 4.542 4.512 1.00 42.22 C ATOM 701 O GLY A 46 6.562 4.119 3.833 1.00 23.25 O ATOM 0 H GLY A 46 6.640 2.259 5.246 1.00 54.23 H new ATOM 0 HA2 GLY A 46 7.716 4.538 6.638 1.00 50.11 H new ATOM 0 HA3 GLY A 46 8.966 3.650 5.790 1.00 50.11 H new ATOM 705 N PHE A 47 8.235 5.620 4.200 1.00 40.14 N ATOM 706 CA PHE A 47 8.060 6.421 2.983 1.00 43.11 C ATOM 707 C PHE A 47 9.375 7.172 2.733 1.00 73.11 C ATOM 708 O PHE A 47 9.876 7.831 3.637 1.00 71.40 O ATOM 709 CB PHE A 47 6.860 7.385 3.190 1.00 20.32 C ATOM 710 CG PHE A 47 6.483 8.295 2.022 1.00 2.05 C ATOM 711 CD1 PHE A 47 5.853 7.779 0.896 1.00 22.13 C ATOM 712 CD2 PHE A 47 6.710 9.674 2.077 1.00 45.02 C ATOM 713 CE1 PHE A 47 5.470 8.603 -0.144 1.00 1.41 C ATOM 714 CE2 PHE A 47 6.320 10.494 1.039 1.00 44.33 C ATOM 715 CZ PHE A 47 5.699 9.962 -0.069 1.00 2.41 C ATOM 0 H PHE A 47 8.982 5.967 4.802 1.00 40.14 H new ATOM 0 HA PHE A 47 7.838 5.806 2.111 1.00 43.11 H new ATOM 0 HB2 PHE A 47 5.986 6.786 3.447 1.00 20.32 H new ATOM 0 HB3 PHE A 47 7.078 8.015 4.052 1.00 20.32 H new ATOM 0 HD1 PHE A 47 5.660 6.718 0.833 1.00 22.13 H new ATOM 0 HD2 PHE A 47 7.196 10.101 2.942 1.00 45.02 H new ATOM 0 HE1 PHE A 47 4.991 8.184 -1.016 1.00 1.41 H new ATOM 0 HE2 PHE A 47 6.502 11.557 1.095 1.00 44.33 H new ATOM 0 HZ PHE A 47 5.391 10.607 -0.878 1.00 2.41 H new ATOM 725 N GLU A 48 9.987 6.994 1.552 1.00 13.22 N ATOM 726 CA GLU A 48 11.192 7.751 1.153 1.00 30.33 C ATOM 727 C GLU A 48 10.951 8.413 -0.204 1.00 23.31 C ATOM 728 O GLU A 48 10.843 7.702 -1.214 1.00 34.24 O ATOM 729 CB GLU A 48 12.451 6.840 1.081 1.00 72.05 C ATOM 730 CG GLU A 48 12.815 6.126 2.393 1.00 14.25 C ATOM 731 CD GLU A 48 14.182 5.421 2.328 1.00 41.51 C ATOM 732 OE1 GLU A 48 14.267 4.298 1.783 1.00 42.33 O ATOM 733 OE2 GLU A 48 15.179 5.998 2.804 1.00 72.35 O ATOM 0 H GLU A 48 9.667 6.328 0.849 1.00 13.22 H new ATOM 0 HA GLU A 48 11.379 8.511 1.912 1.00 30.33 H new ATOM 0 HB2 GLU A 48 12.293 6.088 0.308 1.00 72.05 H new ATOM 0 HB3 GLU A 48 13.301 7.446 0.767 1.00 72.05 H new ATOM 0 HG2 GLU A 48 12.824 6.852 3.206 1.00 14.25 H new ATOM 0 HG3 GLU A 48 12.044 5.393 2.629 1.00 14.25 H new ATOM 740 N ASP A 49 10.863 9.770 -0.200 1.00 54.21 N ATOM 741 CA ASP A 49 10.652 10.613 -1.402 1.00 54.52 C ATOM 742 C ASP A 49 9.216 10.441 -1.932 1.00 35.11 C ATOM 743 O ASP A 49 8.376 11.339 -1.780 1.00 61.21 O ATOM 744 CB ASP A 49 11.708 10.340 -2.520 1.00 73.34 C ATOM 745 CG ASP A 49 13.152 10.655 -2.087 1.00 60.24 C ATOM 746 OD1 ASP A 49 13.797 9.805 -1.438 1.00 71.54 O ATOM 747 OD2 ASP A 49 13.657 11.752 -2.388 1.00 11.22 O ATOM 0 H ASP A 49 10.939 10.317 0.658 1.00 54.21 H new ATOM 0 HA ASP A 49 10.790 11.651 -1.099 1.00 54.52 H new ATOM 0 HB2 ASP A 49 11.646 9.294 -2.820 1.00 73.34 H new ATOM 0 HB3 ASP A 49 11.461 10.938 -3.397 1.00 73.34 H new ATOM 752 N GLY A 50 8.949 9.273 -2.539 1.00 21.11 N ATOM 753 CA GLY A 50 7.610 8.904 -2.987 1.00 0.10 C ATOM 754 C GLY A 50 7.340 7.408 -2.907 1.00 35.23 C ATOM 755 O GLY A 50 6.264 6.952 -3.304 1.00 42.03 O ATOM 0 H GLY A 50 9.658 8.565 -2.729 1.00 21.11 H new ATOM 0 HA2 GLY A 50 6.873 9.432 -2.382 1.00 0.10 H new ATOM 0 HA3 GLY A 50 7.474 9.236 -4.016 1.00 0.10 H new ATOM 759 N ILE A 51 8.302 6.641 -2.382 1.00 13.35 N ATOM 760 CA ILE A 51 8.195 5.181 -2.301 1.00 74.41 C ATOM 761 C ILE A 51 7.565 4.791 -0.955 1.00 54.32 C ATOM 762 O ILE A 51 8.204 4.900 0.101 1.00 62.23 O ATOM 763 CB ILE A 51 9.589 4.479 -2.476 1.00 71.23 C ATOM 764 CG1 ILE A 51 10.298 4.946 -3.791 1.00 60.11 C ATOM 765 CG2 ILE A 51 9.449 2.939 -2.435 1.00 51.34 C ATOM 766 CD1 ILE A 51 9.530 4.702 -5.084 1.00 61.22 C ATOM 0 H ILE A 51 9.173 7.013 -2.003 1.00 13.35 H new ATOM 0 HA ILE A 51 7.560 4.841 -3.119 1.00 74.41 H new ATOM 0 HB ILE A 51 10.217 4.778 -1.637 1.00 71.23 H new ATOM 0 HG12 ILE A 51 10.505 6.013 -3.710 1.00 60.11 H new ATOM 0 HG13 ILE A 51 11.260 4.439 -3.862 1.00 60.11 H new ATOM 0 HG21 ILE A 51 10.430 2.481 -2.559 1.00 51.34 H new ATOM 0 HG22 ILE A 51 9.026 2.637 -1.477 1.00 51.34 H new ATOM 0 HG23 ILE A 51 8.792 2.612 -3.241 1.00 51.34 H new ATOM 0 HD11 ILE A 51 10.116 5.064 -5.929 1.00 61.22 H new ATOM 0 HD12 ILE A 51 9.346 3.634 -5.202 1.00 61.22 H new ATOM 0 HD13 ILE A 51 8.579 5.233 -5.048 1.00 61.22 H new ATOM 778 N VAL A 52 6.298 4.366 -1.024 1.00 54.32 N ATOM 779 CA VAL A 52 5.514 3.914 0.128 1.00 72.10 C ATOM 780 C VAL A 52 5.926 2.474 0.468 1.00 40.30 C ATOM 781 O VAL A 52 5.580 1.531 -0.252 1.00 24.04 O ATOM 782 CB VAL A 52 3.969 3.977 -0.165 1.00 53.43 C ATOM 783 CG1 VAL A 52 3.143 3.571 1.077 1.00 12.33 C ATOM 784 CG2 VAL A 52 3.561 5.375 -0.679 1.00 13.13 C ATOM 0 H VAL A 52 5.780 4.326 -1.902 1.00 54.32 H new ATOM 0 HA VAL A 52 5.714 4.575 0.971 1.00 72.10 H new ATOM 0 HB VAL A 52 3.750 3.255 -0.952 1.00 53.43 H new ATOM 0 HG11 VAL A 52 2.080 3.625 0.841 1.00 12.33 H new ATOM 0 HG12 VAL A 52 3.399 2.552 1.367 1.00 12.33 H new ATOM 0 HG13 VAL A 52 3.367 4.249 1.900 1.00 12.33 H new ATOM 0 HG21 VAL A 52 2.489 5.392 -0.874 1.00 13.13 H new ATOM 0 HG22 VAL A 52 3.805 6.125 0.073 1.00 13.13 H new ATOM 0 HG23 VAL A 52 4.101 5.596 -1.600 1.00 13.13 H new ATOM 794 N GLN A 53 6.687 2.320 1.549 1.00 13.24 N ATOM 795 CA GLN A 53 7.195 1.017 1.994 1.00 14.11 C ATOM 796 C GLN A 53 6.120 0.297 2.826 1.00 22.14 C ATOM 797 O GLN A 53 5.709 0.797 3.883 1.00 10.33 O ATOM 798 CB GLN A 53 8.496 1.222 2.807 1.00 20.43 C ATOM 799 CG GLN A 53 9.672 1.758 1.967 1.00 74.21 C ATOM 800 CD GLN A 53 10.925 2.062 2.786 1.00 1.42 C ATOM 801 OE1 GLN A 53 11.179 1.455 3.831 1.00 60.11 O ATOM 802 NE2 GLN A 53 11.731 2.992 2.306 1.00 71.23 N ATOM 0 H GLN A 53 6.972 3.096 2.146 1.00 13.24 H new ATOM 0 HA GLN A 53 7.426 0.392 1.131 1.00 14.11 H new ATOM 0 HB2 GLN A 53 8.298 1.916 3.624 1.00 20.43 H new ATOM 0 HB3 GLN A 53 8.786 0.273 3.258 1.00 20.43 H new ATOM 0 HG2 GLN A 53 9.920 1.027 1.198 1.00 74.21 H new ATOM 0 HG3 GLN A 53 9.356 2.666 1.453 1.00 74.21 H new ATOM 0 HE21 GLN A 53 11.493 3.476 1.440 1.00 71.23 H new ATOM 0 HE22 GLN A 53 12.591 3.226 2.801 1.00 71.23 H new ATOM 811 N LEU A 54 5.657 -0.859 2.319 1.00 71.41 N ATOM 812 CA LEU A 54 4.596 -1.670 2.932 1.00 3.13 C ATOM 813 C LEU A 54 5.093 -3.099 3.171 1.00 30.23 C ATOM 814 O LEU A 54 5.706 -3.714 2.294 1.00 12.11 O ATOM 815 CB LEU A 54 3.338 -1.710 2.020 1.00 53.42 C ATOM 816 CG LEU A 54 2.650 -0.344 1.749 1.00 23.33 C ATOM 817 CD1 LEU A 54 1.412 -0.524 0.859 1.00 73.33 C ATOM 818 CD2 LEU A 54 2.288 0.365 3.069 1.00 70.14 C ATOM 0 H LEU A 54 6.019 -1.262 1.454 1.00 71.41 H new ATOM 0 HA LEU A 54 4.329 -1.213 3.885 1.00 3.13 H new ATOM 0 HB2 LEU A 54 3.621 -2.148 1.063 1.00 53.42 H new ATOM 0 HB3 LEU A 54 2.606 -2.379 2.473 1.00 53.42 H new ATOM 0 HG LEU A 54 3.358 0.291 1.216 1.00 23.33 H new ATOM 0 HD11 LEU A 54 0.947 0.446 0.683 1.00 73.33 H new ATOM 0 HD12 LEU A 54 1.709 -0.962 -0.094 1.00 73.33 H new ATOM 0 HD13 LEU A 54 0.700 -1.183 1.355 1.00 73.33 H new ATOM 0 HD21 LEU A 54 1.808 1.319 2.850 1.00 70.14 H new ATOM 0 HD22 LEU A 54 1.605 -0.262 3.643 1.00 70.14 H new ATOM 0 HD23 LEU A 54 3.194 0.540 3.649 1.00 70.14 H new ATOM 830 N LYS A 55 4.813 -3.605 4.373 1.00 63.34 N ATOM 831 CA LYS A 55 5.028 -5.000 4.731 1.00 14.45 C ATOM 832 C LYS A 55 3.766 -5.786 4.358 1.00 72.42 C ATOM 833 O LYS A 55 2.713 -5.609 4.983 1.00 12.25 O ATOM 834 CB LYS A 55 5.322 -5.110 6.244 1.00 41.10 C ATOM 835 CG LYS A 55 5.476 -6.545 6.779 1.00 74.23 C ATOM 836 CD LYS A 55 5.780 -6.578 8.291 1.00 4.35 C ATOM 837 CE LYS A 55 5.845 -8.007 8.851 1.00 14.34 C ATOM 838 NZ LYS A 55 6.945 -8.807 8.249 1.00 31.32 N ATOM 0 H LYS A 55 4.425 -3.046 5.133 1.00 63.34 H new ATOM 0 HA LYS A 55 5.883 -5.410 4.194 1.00 14.45 H new ATOM 0 HB2 LYS A 55 6.237 -4.558 6.461 1.00 41.10 H new ATOM 0 HB3 LYS A 55 4.517 -4.620 6.791 1.00 41.10 H new ATOM 0 HG2 LYS A 55 4.561 -7.103 6.583 1.00 74.23 H new ATOM 0 HG3 LYS A 55 6.278 -7.047 6.239 1.00 74.23 H new ATOM 0 HD2 LYS A 55 6.729 -6.075 8.478 1.00 4.35 H new ATOM 0 HD3 LYS A 55 5.012 -6.018 8.824 1.00 4.35 H new ATOM 0 HE2 LYS A 55 5.981 -7.964 9.932 1.00 14.34 H new ATOM 0 HE3 LYS A 55 4.894 -8.508 8.669 1.00 14.34 H new ATOM 0 HZ1 LYS A 55 6.977 -9.745 8.697 1.00 31.32 H new ATOM 0 HZ2 LYS A 55 6.777 -8.916 7.229 1.00 31.32 H new ATOM 0 HZ3 LYS A 55 7.851 -8.320 8.400 1.00 31.32 H new ATOM 852 N LEU A 56 3.869 -6.621 3.323 1.00 52.11 N ATOM 853 CA LEU A 56 2.741 -7.440 2.856 1.00 43.34 C ATOM 854 C LEU A 56 2.751 -8.758 3.645 1.00 73.33 C ATOM 855 O LEU A 56 3.820 -9.258 4.012 1.00 64.33 O ATOM 856 CB LEU A 56 2.842 -7.719 1.327 1.00 24.54 C ATOM 857 CG LEU A 56 3.025 -6.477 0.389 1.00 30.51 C ATOM 858 CD1 LEU A 56 3.018 -6.892 -1.100 1.00 31.30 C ATOM 859 CD2 LEU A 56 1.976 -5.377 0.658 1.00 33.23 C ATOM 0 H LEU A 56 4.727 -6.751 2.787 1.00 52.11 H new ATOM 0 HA LEU A 56 1.806 -6.905 3.024 1.00 43.34 H new ATOM 0 HB2 LEU A 56 3.680 -8.396 1.161 1.00 24.54 H new ATOM 0 HB3 LEU A 56 1.940 -8.247 1.018 1.00 24.54 H new ATOM 0 HG LEU A 56 4.002 -6.052 0.621 1.00 30.51 H new ATOM 0 HD11 LEU A 56 3.147 -6.008 -1.725 1.00 31.30 H new ATOM 0 HD12 LEU A 56 3.834 -7.591 -1.287 1.00 31.30 H new ATOM 0 HD13 LEU A 56 2.068 -7.370 -1.340 1.00 31.30 H new ATOM 0 HD21 LEU A 56 2.146 -4.539 -0.018 1.00 33.23 H new ATOM 0 HD22 LEU A 56 0.976 -5.779 0.492 1.00 33.23 H new ATOM 0 HD23 LEU A 56 2.063 -5.035 1.689 1.00 33.23 H new ATOM 871 N GLN A 57 1.566 -9.293 3.936 1.00 12.20 N ATOM 872 CA GLN A 57 1.409 -10.620 4.566 1.00 23.33 C ATOM 873 C GLN A 57 1.070 -11.668 3.491 1.00 62.21 C ATOM 874 O GLN A 57 0.873 -11.318 2.320 1.00 21.44 O ATOM 875 CB GLN A 57 0.317 -10.572 5.666 1.00 23.11 C ATOM 876 CG GLN A 57 0.683 -9.717 6.898 1.00 71.41 C ATOM 877 CD GLN A 57 1.887 -10.251 7.698 1.00 42.12 C ATOM 878 OE1 GLN A 57 2.149 -11.456 7.746 1.00 52.25 O ATOM 879 NE2 GLN A 57 2.621 -9.356 8.342 1.00 21.41 N ATOM 0 H GLN A 57 0.681 -8.824 3.744 1.00 12.20 H new ATOM 0 HA GLN A 57 2.347 -10.905 5.042 1.00 23.33 H new ATOM 0 HB2 GLN A 57 -0.603 -10.182 5.230 1.00 23.11 H new ATOM 0 HB3 GLN A 57 0.107 -11.589 5.996 1.00 23.11 H new ATOM 0 HG2 GLN A 57 0.900 -8.700 6.570 1.00 71.41 H new ATOM 0 HG3 GLN A 57 -0.182 -9.661 7.558 1.00 71.41 H new ATOM 0 HE21 GLN A 57 2.383 -8.366 8.286 1.00 21.41 H new ATOM 0 HE22 GLN A 57 3.424 -9.657 8.894 1.00 21.41 H new ATOM 888 N GLY A 58 0.987 -12.950 3.915 1.00 61.13 N ATOM 889 CA GLY A 58 0.683 -14.077 3.019 1.00 45.32 C ATOM 890 C GLY A 58 -0.718 -14.021 2.416 1.00 64.01 C ATOM 891 O GLY A 58 -1.435 -13.038 2.618 1.00 23.02 O ATOM 0 H GLY A 58 1.129 -13.226 4.886 1.00 61.13 H new ATOM 0 HA2 GLY A 58 1.416 -14.096 2.212 1.00 45.32 H new ATOM 0 HA3 GLY A 58 0.794 -15.010 3.572 1.00 45.32 H new ATOM 895 N SER A 59 -1.091 -15.093 1.675 1.00 31.05 N ATOM 896 CA SER A 59 -2.378 -15.227 0.931 1.00 55.41 C ATOM 897 C SER A 59 -2.385 -14.338 -0.333 1.00 43.50 C ATOM 898 O SER A 59 -2.505 -14.830 -1.460 1.00 74.21 O ATOM 899 CB SER A 59 -3.615 -14.942 1.831 1.00 61.02 C ATOM 900 OG SER A 59 -3.628 -15.791 2.965 1.00 75.22 O ATOM 0 H SER A 59 -0.493 -15.913 1.572 1.00 31.05 H new ATOM 0 HA SER A 59 -2.455 -16.267 0.614 1.00 55.41 H new ATOM 0 HB2 SER A 59 -3.602 -13.901 2.153 1.00 61.02 H new ATOM 0 HB3 SER A 59 -4.529 -15.086 1.255 1.00 61.02 H new ATOM 0 HG SER A 59 -4.534 -15.828 3.336 1.00 75.22 H new ATOM 906 N CYS A 60 -2.243 -13.019 -0.118 1.00 72.41 N ATOM 907 CA CYS A 60 -2.141 -12.010 -1.190 1.00 32.44 C ATOM 908 C CYS A 60 -0.744 -12.011 -1.859 1.00 60.44 C ATOM 909 O CYS A 60 -0.531 -11.302 -2.848 1.00 55.11 O ATOM 910 CB CYS A 60 -2.471 -10.621 -0.597 1.00 71.01 C ATOM 911 SG CYS A 60 -4.064 -10.579 0.239 1.00 41.34 S ATOM 0 H CYS A 60 -2.195 -12.617 0.818 1.00 72.41 H new ATOM 0 HA CYS A 60 -2.857 -12.257 -1.974 1.00 32.44 H new ATOM 0 HB2 CYS A 60 -1.689 -10.337 0.107 1.00 71.01 H new ATOM 0 HB3 CYS A 60 -2.466 -9.880 -1.396 1.00 71.01 H new ATOM 0 HG CYS A 60 -4.674 -11.714 0.067 1.00 41.34 H new ATOM 917 N THR A 61 0.205 -12.804 -1.305 1.00 20.44 N ATOM 918 CA THR A 61 1.579 -12.937 -1.832 1.00 63.40 C ATOM 919 C THR A 61 1.910 -14.423 -2.100 1.00 1.35 C ATOM 920 O THR A 61 3.042 -14.868 -1.870 1.00 42.13 O ATOM 921 CB THR A 61 2.607 -12.321 -0.815 1.00 12.22 C ATOM 922 OG1 THR A 61 2.482 -12.974 0.460 1.00 73.10 O ATOM 923 CG2 THR A 61 2.406 -10.808 -0.631 1.00 23.13 C ATOM 0 H THR A 61 0.034 -13.372 -0.475 1.00 20.44 H new ATOM 0 HA THR A 61 1.649 -12.393 -2.774 1.00 63.40 H new ATOM 0 HB THR A 61 3.604 -12.479 -1.226 1.00 12.22 H new ATOM 0 HG1 THR A 61 1.991 -12.394 1.078 1.00 73.10 H new ATOM 0 HG21 THR A 61 3.139 -10.427 0.080 1.00 23.13 H new ATOM 0 HG22 THR A 61 2.535 -10.305 -1.589 1.00 23.13 H new ATOM 0 HG23 THR A 61 1.401 -10.618 -0.254 1.00 23.13 H new ATOM 931 N SER A 62 0.908 -15.186 -2.595 1.00 41.33 N ATOM 932 CA SER A 62 1.073 -16.628 -2.929 1.00 41.24 C ATOM 933 C SER A 62 2.122 -16.858 -4.035 1.00 42.52 C ATOM 934 O SER A 62 2.818 -17.882 -4.049 1.00 33.32 O ATOM 935 CB SER A 62 -0.277 -17.235 -3.368 1.00 64.24 C ATOM 936 OG SER A 62 -1.253 -17.081 -2.360 1.00 64.11 O ATOM 0 H SER A 62 -0.030 -14.828 -2.774 1.00 41.33 H new ATOM 0 HA SER A 62 1.427 -17.123 -2.025 1.00 41.24 H new ATOM 0 HB2 SER A 62 -0.616 -16.752 -4.284 1.00 64.24 H new ATOM 0 HB3 SER A 62 -0.147 -18.293 -3.595 1.00 64.24 H new ATOM 0 HG SER A 62 -1.495 -16.135 -2.281 1.00 64.11 H new ATOM 942 N CYS A 63 2.216 -15.888 -4.951 1.00 21.34 N ATOM 943 CA CYS A 63 3.122 -15.934 -6.107 1.00 63.20 C ATOM 944 C CYS A 63 3.782 -14.550 -6.308 1.00 13.21 C ATOM 945 O CYS A 63 3.245 -13.545 -5.816 1.00 1.44 O ATOM 946 CB CYS A 63 2.322 -16.355 -7.361 1.00 52.44 C ATOM 947 SG CYS A 63 1.632 -18.023 -7.258 1.00 0.32 S ATOM 0 H CYS A 63 1.657 -15.036 -4.911 1.00 21.34 H new ATOM 0 HA CYS A 63 3.912 -16.665 -5.934 1.00 63.20 H new ATOM 0 HB2 CYS A 63 1.510 -15.645 -7.518 1.00 52.44 H new ATOM 0 HB3 CYS A 63 2.973 -16.294 -8.233 1.00 52.44 H new ATOM 0 HG CYS A 63 0.977 -18.290 -8.349 1.00 0.32 H new ATOM 953 N PRO A 64 4.977 -14.476 -6.995 1.00 33.44 N ATOM 954 CA PRO A 64 5.599 -13.189 -7.409 1.00 33.13 C ATOM 955 C PRO A 64 4.618 -12.241 -8.143 1.00 61.34 C ATOM 956 O PRO A 64 4.645 -11.031 -7.923 1.00 0.05 O ATOM 957 CB PRO A 64 6.755 -13.641 -8.341 1.00 10.41 C ATOM 958 CG PRO A 64 7.144 -14.992 -7.818 1.00 3.12 C ATOM 959 CD PRO A 64 5.847 -15.639 -7.359 1.00 12.40 C ATOM 0 HA PRO A 64 5.929 -12.603 -6.551 1.00 33.13 H new ATOM 0 HB2 PRO A 64 6.431 -13.695 -9.380 1.00 10.41 H new ATOM 0 HB3 PRO A 64 7.592 -12.944 -8.304 1.00 10.41 H new ATOM 0 HG2 PRO A 64 7.627 -15.588 -8.592 1.00 3.12 H new ATOM 0 HG3 PRO A 64 7.852 -14.905 -6.994 1.00 3.12 H new ATOM 0 HD2 PRO A 64 5.399 -16.242 -8.149 1.00 12.40 H new ATOM 0 HD3 PRO A 64 6.009 -16.299 -6.507 1.00 12.40 H new ATOM 967 N SER A 65 3.740 -12.817 -8.992 1.00 64.03 N ATOM 968 CA SER A 65 2.728 -12.055 -9.754 1.00 40.13 C ATOM 969 C SER A 65 1.601 -11.537 -8.836 1.00 15.23 C ATOM 970 O SER A 65 1.023 -10.483 -9.113 1.00 12.20 O ATOM 971 CB SER A 65 2.154 -12.921 -10.895 1.00 53.10 C ATOM 972 OG SER A 65 1.212 -12.206 -11.685 1.00 31.23 O ATOM 0 H SER A 65 3.713 -13.821 -9.168 1.00 64.03 H new ATOM 0 HA SER A 65 3.219 -11.185 -10.190 1.00 40.13 H new ATOM 0 HB2 SER A 65 2.968 -13.270 -11.530 1.00 53.10 H new ATOM 0 HB3 SER A 65 1.676 -13.806 -10.474 1.00 53.10 H new ATOM 0 HG SER A 65 0.873 -12.788 -12.397 1.00 31.23 H new ATOM 978 N SER A 66 1.294 -12.285 -7.751 1.00 12.13 N ATOM 979 CA SER A 66 0.320 -11.845 -6.727 1.00 31.40 C ATOM 980 C SER A 66 0.834 -10.568 -6.021 1.00 31.12 C ATOM 981 O SER A 66 0.069 -9.623 -5.783 1.00 63.44 O ATOM 982 CB SER A 66 0.075 -12.976 -5.699 1.00 60.21 C ATOM 983 OG SER A 66 -0.273 -14.191 -6.343 1.00 61.30 O ATOM 0 H SER A 66 1.708 -13.198 -7.563 1.00 12.13 H new ATOM 0 HA SER A 66 -0.627 -11.615 -7.215 1.00 31.40 H new ATOM 0 HB2 SER A 66 0.972 -13.125 -5.098 1.00 60.21 H new ATOM 0 HB3 SER A 66 -0.722 -12.683 -5.016 1.00 60.21 H new ATOM 0 HG SER A 66 -0.420 -14.888 -5.670 1.00 61.30 H new ATOM 989 N ILE A 67 2.155 -10.570 -5.723 1.00 13.24 N ATOM 990 CA ILE A 67 2.874 -9.425 -5.133 1.00 15.02 C ATOM 991 C ILE A 67 2.841 -8.208 -6.081 1.00 1.50 C ATOM 992 O ILE A 67 2.464 -7.121 -5.664 1.00 72.10 O ATOM 993 CB ILE A 67 4.378 -9.790 -4.814 1.00 2.02 C ATOM 994 CG1 ILE A 67 4.455 -11.000 -3.823 1.00 51.03 C ATOM 995 CG2 ILE A 67 5.151 -8.556 -4.275 1.00 2.03 C ATOM 996 CD1 ILE A 67 5.860 -11.460 -3.472 1.00 32.43 C ATOM 0 H ILE A 67 2.755 -11.378 -5.889 1.00 13.24 H new ATOM 0 HA ILE A 67 2.366 -9.175 -4.202 1.00 15.02 H new ATOM 0 HB ILE A 67 4.861 -10.092 -5.743 1.00 2.02 H new ATOM 0 HG12 ILE A 67 3.938 -10.729 -2.903 1.00 51.03 H new ATOM 0 HG13 ILE A 67 3.913 -11.840 -4.257 1.00 51.03 H new ATOM 0 HG21 ILE A 67 6.183 -8.837 -4.064 1.00 2.03 H new ATOM 0 HG22 ILE A 67 5.136 -7.763 -5.022 1.00 2.03 H new ATOM 0 HG23 ILE A 67 4.677 -8.201 -3.360 1.00 2.03 H new ATOM 0 HD11 ILE A 67 5.805 -12.301 -2.781 1.00 32.43 H new ATOM 0 HD12 ILE A 67 6.379 -11.769 -4.379 1.00 32.43 H new ATOM 0 HD13 ILE A 67 6.405 -10.640 -3.003 1.00 32.43 H new ATOM 1008 N ILE A 68 3.228 -8.435 -7.356 1.00 21.33 N ATOM 1009 CA ILE A 68 3.330 -7.381 -8.390 1.00 55.31 C ATOM 1010 C ILE A 68 1.973 -6.675 -8.595 1.00 12.43 C ATOM 1011 O ILE A 68 1.914 -5.441 -8.594 1.00 33.34 O ATOM 1012 CB ILE A 68 3.887 -7.978 -9.752 1.00 55.54 C ATOM 1013 CG1 ILE A 68 5.392 -8.391 -9.590 1.00 14.14 C ATOM 1014 CG2 ILE A 68 3.704 -7.000 -10.942 1.00 4.33 C ATOM 1015 CD1 ILE A 68 6.031 -9.015 -10.823 1.00 52.13 C ATOM 0 H ILE A 68 3.480 -9.362 -7.699 1.00 21.33 H new ATOM 0 HA ILE A 68 4.041 -6.631 -8.043 1.00 55.31 H new ATOM 0 HB ILE A 68 3.300 -8.867 -9.984 1.00 55.54 H new ATOM 0 HG12 ILE A 68 5.966 -7.508 -9.311 1.00 14.14 H new ATOM 0 HG13 ILE A 68 5.471 -9.097 -8.763 1.00 14.14 H new ATOM 0 HG21 ILE A 68 4.100 -7.454 -11.850 1.00 4.33 H new ATOM 0 HG22 ILE A 68 2.644 -6.785 -11.077 1.00 4.33 H new ATOM 0 HG23 ILE A 68 4.239 -6.073 -10.737 1.00 4.33 H new ATOM 0 HD11 ILE A 68 7.070 -9.264 -10.608 1.00 52.13 H new ATOM 0 HD12 ILE A 68 5.489 -9.921 -11.095 1.00 52.13 H new ATOM 0 HD13 ILE A 68 5.992 -8.307 -11.651 1.00 52.13 H new ATOM 1027 N THR A 69 0.891 -7.473 -8.705 1.00 14.43 N ATOM 1028 CA THR A 69 -0.475 -6.958 -8.907 1.00 42.24 C ATOM 1029 C THR A 69 -0.944 -6.137 -7.686 1.00 1.23 C ATOM 1030 O THR A 69 -1.471 -5.035 -7.854 1.00 2.13 O ATOM 1031 CB THR A 69 -1.472 -8.128 -9.189 1.00 4.10 C ATOM 1032 OG1 THR A 69 -0.999 -8.890 -10.309 1.00 23.00 O ATOM 1033 CG2 THR A 69 -2.898 -7.633 -9.493 1.00 62.05 C ATOM 0 H THR A 69 0.942 -8.491 -8.656 1.00 14.43 H new ATOM 0 HA THR A 69 -0.458 -6.300 -9.776 1.00 42.24 H new ATOM 0 HB THR A 69 -1.519 -8.738 -8.287 1.00 4.10 H new ATOM 0 HG1 THR A 69 -0.281 -9.490 -10.017 1.00 23.00 H new ATOM 0 HG21 THR A 69 -3.548 -8.488 -9.681 1.00 62.05 H new ATOM 0 HG22 THR A 69 -3.277 -7.070 -8.640 1.00 62.05 H new ATOM 0 HG23 THR A 69 -2.880 -6.990 -10.373 1.00 62.05 H new ATOM 1041 N LEU A 70 -0.711 -6.675 -6.464 1.00 22.13 N ATOM 1042 CA LEU A 70 -1.116 -6.009 -5.203 1.00 41.44 C ATOM 1043 C LEU A 70 -0.384 -4.655 -5.045 1.00 62.31 C ATOM 1044 O LEU A 70 -1.020 -3.620 -4.859 1.00 25.34 O ATOM 1045 CB LEU A 70 -0.833 -6.927 -3.976 1.00 63.10 C ATOM 1046 CG LEU A 70 -1.271 -6.363 -2.579 1.00 32.34 C ATOM 1047 CD1 LEU A 70 -2.796 -6.111 -2.521 1.00 14.43 C ATOM 1048 CD2 LEU A 70 -0.809 -7.290 -1.431 1.00 34.52 C ATOM 0 H LEU A 70 -0.243 -7.571 -6.326 1.00 22.13 H new ATOM 0 HA LEU A 70 -2.189 -5.820 -5.248 1.00 41.44 H new ATOM 0 HB2 LEU A 70 -1.339 -7.879 -4.136 1.00 63.10 H new ATOM 0 HB3 LEU A 70 0.236 -7.135 -3.942 1.00 63.10 H new ATOM 0 HG LEU A 70 -0.778 -5.400 -2.445 1.00 32.34 H new ATOM 0 HD11 LEU A 70 -3.063 -5.721 -1.539 1.00 14.43 H new ATOM 0 HD12 LEU A 70 -3.075 -5.387 -3.287 1.00 14.43 H new ATOM 0 HD13 LEU A 70 -3.326 -7.047 -2.696 1.00 14.43 H new ATOM 0 HD21 LEU A 70 -1.127 -6.873 -0.476 1.00 34.52 H new ATOM 0 HD22 LEU A 70 -1.251 -8.278 -1.561 1.00 34.52 H new ATOM 0 HD23 LEU A 70 0.278 -7.374 -1.446 1.00 34.52 H new ATOM 1060 N LYS A 71 0.956 -4.711 -5.180 1.00 41.03 N ATOM 1061 CA LYS A 71 1.879 -3.564 -5.074 1.00 34.21 C ATOM 1062 C LYS A 71 1.488 -2.440 -6.052 1.00 44.43 C ATOM 1063 O LYS A 71 1.462 -1.272 -5.670 1.00 41.03 O ATOM 1064 CB LYS A 71 3.338 -4.079 -5.321 1.00 3.24 C ATOM 1065 CG LYS A 71 4.476 -3.011 -5.308 1.00 62.21 C ATOM 1066 CD LYS A 71 4.824 -2.405 -6.702 1.00 35.31 C ATOM 1067 CE LYS A 71 5.325 -3.452 -7.712 1.00 35.12 C ATOM 1068 NZ LYS A 71 5.773 -2.831 -8.993 1.00 50.42 N ATOM 0 H LYS A 71 1.442 -5.587 -5.373 1.00 41.03 H new ATOM 0 HA LYS A 71 1.819 -3.130 -4.076 1.00 34.21 H new ATOM 0 HB2 LYS A 71 3.567 -4.827 -4.562 1.00 3.24 H new ATOM 0 HB3 LYS A 71 3.360 -4.586 -6.286 1.00 3.24 H new ATOM 0 HG2 LYS A 71 4.187 -2.201 -4.638 1.00 62.21 H new ATOM 0 HG3 LYS A 71 5.375 -3.464 -4.890 1.00 62.21 H new ATOM 0 HD2 LYS A 71 3.940 -1.913 -7.108 1.00 35.31 H new ATOM 0 HD3 LYS A 71 5.587 -1.637 -6.576 1.00 35.31 H new ATOM 0 HE2 LYS A 71 6.151 -4.011 -7.273 1.00 35.12 H new ATOM 0 HE3 LYS A 71 4.528 -4.167 -7.916 1.00 35.12 H new ATOM 0 HZ1 LYS A 71 6.271 -3.541 -9.567 1.00 50.42 H new ATOM 0 HZ2 LYS A 71 4.946 -2.480 -9.517 1.00 50.42 H new ATOM 0 HZ3 LYS A 71 6.415 -2.039 -8.789 1.00 50.42 H new ATOM 1082 N ASN A 72 1.173 -2.828 -7.306 1.00 3.52 N ATOM 1083 CA ASN A 72 0.789 -1.887 -8.384 1.00 30.31 C ATOM 1084 C ASN A 72 -0.595 -1.278 -8.130 1.00 54.34 C ATOM 1085 O ASN A 72 -0.792 -0.092 -8.375 1.00 50.11 O ATOM 1086 CB ASN A 72 0.832 -2.577 -9.783 1.00 44.33 C ATOM 1087 CG ASN A 72 2.251 -2.793 -10.318 1.00 3.42 C ATOM 1088 OD1 ASN A 72 3.175 -2.035 -10.010 1.00 23.14 O ATOM 1089 ND2 ASN A 72 2.427 -3.820 -11.134 1.00 5.12 N ATOM 0 H ASN A 72 1.177 -3.804 -7.602 1.00 3.52 H new ATOM 0 HA ASN A 72 1.521 -1.079 -8.380 1.00 30.31 H new ATOM 0 HB2 ASN A 72 0.326 -3.541 -9.719 1.00 44.33 H new ATOM 0 HB3 ASN A 72 0.273 -1.970 -10.495 1.00 44.33 H new ATOM 0 HD21 ASN A 72 3.349 -4.005 -11.529 1.00 5.12 H new ATOM 0 HD22 ASN A 72 1.641 -4.427 -11.367 1.00 5.12 H new ATOM 1096 N GLY A 73 -1.535 -2.094 -7.628 1.00 45.34 N ATOM 1097 CA GLY A 73 -2.900 -1.637 -7.346 1.00 74.33 C ATOM 1098 C GLY A 73 -2.930 -0.551 -6.277 1.00 3.20 C ATOM 1099 O GLY A 73 -3.536 0.520 -6.466 1.00 70.15 O ATOM 0 H GLY A 73 -1.371 -3.077 -7.409 1.00 45.34 H new ATOM 0 HA2 GLY A 73 -3.351 -1.256 -8.262 1.00 74.33 H new ATOM 0 HA3 GLY A 73 -3.505 -2.483 -7.020 1.00 74.33 H new ATOM 1103 N ILE A 74 -2.207 -0.824 -5.180 1.00 75.23 N ATOM 1104 CA ILE A 74 -2.007 0.120 -4.076 1.00 32.45 C ATOM 1105 C ILE A 74 -1.298 1.389 -4.594 1.00 15.42 C ATOM 1106 O ILE A 74 -1.719 2.503 -4.297 1.00 44.01 O ATOM 1107 CB ILE A 74 -1.145 -0.535 -2.929 1.00 4.22 C ATOM 1108 CG1 ILE A 74 -1.818 -1.840 -2.378 1.00 1.00 C ATOM 1109 CG2 ILE A 74 -0.877 0.473 -1.793 1.00 30.01 C ATOM 1110 CD1 ILE A 74 -0.966 -2.629 -1.389 1.00 73.11 C ATOM 0 H ILE A 74 -1.740 -1.719 -5.035 1.00 75.23 H new ATOM 0 HA ILE A 74 -2.983 0.386 -3.670 1.00 32.45 H new ATOM 0 HB ILE A 74 -0.185 -0.818 -3.361 1.00 4.22 H new ATOM 0 HG12 ILE A 74 -2.757 -1.571 -1.894 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -2.067 -2.487 -3.219 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -0.281 -0.005 -1.016 1.00 30.01 H new ATOM 0 HG22 ILE A 74 -0.335 1.332 -2.189 1.00 30.01 H new ATOM 0 HG23 ILE A 74 -1.825 0.805 -1.370 1.00 30.01 H new ATOM 0 HD11 ILE A 74 -1.513 -3.514 -1.063 1.00 73.11 H new ATOM 0 HD12 ILE A 74 -0.037 -2.934 -1.871 1.00 73.11 H new ATOM 0 HD13 ILE A 74 -0.738 -2.004 -0.525 1.00 73.11 H new ATOM 1122 N GLN A 75 -0.252 1.167 -5.415 1.00 13.41 N ATOM 1123 CA GLN A 75 0.625 2.219 -5.954 1.00 64.33 C ATOM 1124 C GLN A 75 -0.161 3.261 -6.753 1.00 1.34 C ATOM 1125 O GLN A 75 -0.144 4.435 -6.405 1.00 14.55 O ATOM 1126 CB GLN A 75 1.732 1.582 -6.835 1.00 42.12 C ATOM 1127 CG GLN A 75 2.788 2.573 -7.346 1.00 13.24 C ATOM 1128 CD GLN A 75 3.891 1.951 -8.204 1.00 55.33 C ATOM 1129 OE1 GLN A 75 4.440 2.608 -9.087 1.00 61.40 O ATOM 1130 NE2 GLN A 75 4.254 0.705 -7.935 1.00 21.10 N ATOM 0 H GLN A 75 0.010 0.232 -5.727 1.00 13.41 H new ATOM 0 HA GLN A 75 1.086 2.736 -5.112 1.00 64.33 H new ATOM 0 HB2 GLN A 75 2.232 0.802 -6.261 1.00 42.12 H new ATOM 0 HB3 GLN A 75 1.263 1.097 -7.691 1.00 42.12 H new ATOM 0 HG2 GLN A 75 2.288 3.347 -7.928 1.00 13.24 H new ATOM 0 HG3 GLN A 75 3.248 3.066 -6.489 1.00 13.24 H new ATOM 0 HE21 GLN A 75 3.781 0.184 -7.197 1.00 21.10 H new ATOM 0 HE22 GLN A 75 5.007 0.267 -8.466 1.00 21.10 H new ATOM 1139 N ASN A 76 -0.880 2.800 -7.790 1.00 1.12 N ATOM 1140 CA ASN A 76 -1.622 3.682 -8.705 1.00 22.23 C ATOM 1141 C ASN A 76 -2.836 4.333 -8.009 1.00 31.22 C ATOM 1142 O ASN A 76 -3.227 5.438 -8.385 1.00 32.15 O ATOM 1143 CB ASN A 76 -2.048 2.929 -10.000 1.00 30.34 C ATOM 1144 CG ASN A 76 -0.854 2.542 -10.889 1.00 3.54 C ATOM 1145 OD1 ASN A 76 -0.357 3.359 -11.660 1.00 34.34 O ATOM 1146 ND2 ASN A 76 -0.410 1.294 -10.826 1.00 42.50 N ATOM 0 H ASN A 76 -0.963 1.809 -8.017 1.00 1.12 H new ATOM 0 HA ASN A 76 -0.946 4.485 -8.998 1.00 22.23 H new ATOM 0 HB2 ASN A 76 -2.597 2.028 -9.726 1.00 30.34 H new ATOM 0 HB3 ASN A 76 -2.731 3.558 -10.571 1.00 30.34 H new ATOM 0 HD21 ASN A 76 0.359 0.996 -11.425 1.00 42.50 H new ATOM 0 HD22 ASN A 76 -0.838 0.633 -10.178 1.00 42.50 H new ATOM 1153 N MET A 77 -3.419 3.656 -6.987 1.00 11.14 N ATOM 1154 CA MET A 77 -4.498 4.254 -6.161 1.00 40.23 C ATOM 1155 C MET A 77 -3.947 5.457 -5.364 1.00 64.23 C ATOM 1156 O MET A 77 -4.530 6.551 -5.386 1.00 34.25 O ATOM 1157 CB MET A 77 -5.104 3.217 -5.177 1.00 23.52 C ATOM 1158 CG MET A 77 -6.353 3.718 -4.413 1.00 21.25 C ATOM 1159 SD MET A 77 -6.672 2.789 -2.895 1.00 14.10 S ATOM 1160 CE MET A 77 -5.293 3.301 -1.866 1.00 32.41 C ATOM 0 H MET A 77 -3.163 2.706 -6.718 1.00 11.14 H new ATOM 0 HA MET A 77 -5.287 4.586 -6.836 1.00 40.23 H new ATOM 0 HB2 MET A 77 -5.369 2.318 -5.733 1.00 23.52 H new ATOM 0 HB3 MET A 77 -4.341 2.931 -4.454 1.00 23.52 H new ATOM 0 HG2 MET A 77 -6.223 4.772 -4.167 1.00 21.25 H new ATOM 0 HG3 MET A 77 -7.224 3.648 -5.065 1.00 21.25 H new ATOM 0 HE1 MET A 77 -5.543 3.143 -0.817 1.00 32.41 H new ATOM 0 HE2 MET A 77 -4.411 2.713 -2.121 1.00 32.41 H new ATOM 0 HE3 MET A 77 -5.086 4.358 -2.034 1.00 32.41 H new ATOM 1170 N LEU A 78 -2.801 5.231 -4.680 1.00 63.02 N ATOM 1171 CA LEU A 78 -2.106 6.264 -3.892 1.00 33.41 C ATOM 1172 C LEU A 78 -1.618 7.409 -4.805 1.00 31.50 C ATOM 1173 O LEU A 78 -1.642 8.550 -4.400 1.00 5.42 O ATOM 1174 CB LEU A 78 -0.906 5.655 -3.104 1.00 21.15 C ATOM 1175 CG LEU A 78 -1.248 4.631 -1.971 1.00 22.25 C ATOM 1176 CD1 LEU A 78 0.038 4.041 -1.354 1.00 40.43 C ATOM 1177 CD2 LEU A 78 -2.139 5.264 -0.881 1.00 34.52 C ATOM 0 H LEU A 78 -2.335 4.324 -4.662 1.00 63.02 H new ATOM 0 HA LEU A 78 -2.817 6.669 -3.172 1.00 33.41 H new ATOM 0 HB2 LEU A 78 -0.246 5.162 -3.818 1.00 21.15 H new ATOM 0 HB3 LEU A 78 -0.341 6.475 -2.661 1.00 21.15 H new ATOM 0 HG LEU A 78 -1.813 3.818 -2.426 1.00 22.25 H new ATOM 0 HD11 LEU A 78 -0.227 3.332 -0.569 1.00 40.43 H new ATOM 0 HD12 LEU A 78 0.611 3.529 -2.127 1.00 40.43 H new ATOM 0 HD13 LEU A 78 0.640 4.845 -0.929 1.00 40.43 H new ATOM 0 HD21 LEU A 78 -2.355 4.523 -0.112 1.00 34.52 H new ATOM 0 HD22 LEU A 78 -1.619 6.111 -0.433 1.00 34.52 H new ATOM 0 HD23 LEU A 78 -3.073 5.606 -1.328 1.00 34.52 H new ATOM 1189 N GLN A 79 -1.202 7.074 -6.046 1.00 21.52 N ATOM 1190 CA GLN A 79 -0.729 8.069 -7.043 1.00 72.42 C ATOM 1191 C GLN A 79 -1.887 8.905 -7.617 1.00 4.24 C ATOM 1192 O GLN A 79 -1.677 10.052 -8.033 1.00 52.43 O ATOM 1193 CB GLN A 79 0.047 7.387 -8.206 1.00 41.21 C ATOM 1194 CG GLN A 79 1.441 6.857 -7.825 1.00 4.20 C ATOM 1195 CD GLN A 79 2.252 6.356 -9.022 1.00 23.33 C ATOM 1196 OE1 GLN A 79 2.061 6.801 -10.156 1.00 51.24 O ATOM 1197 NE2 GLN A 79 3.187 5.458 -8.774 1.00 12.12 N ATOM 0 H GLN A 79 -1.183 6.113 -6.387 1.00 21.52 H new ATOM 0 HA GLN A 79 -0.052 8.738 -6.511 1.00 72.42 H new ATOM 0 HB2 GLN A 79 -0.550 6.558 -8.587 1.00 41.21 H new ATOM 0 HB3 GLN A 79 0.156 8.102 -9.021 1.00 41.21 H new ATOM 0 HG2 GLN A 79 1.998 7.649 -7.325 1.00 4.20 H new ATOM 0 HG3 GLN A 79 1.328 6.045 -7.107 1.00 4.20 H new ATOM 0 HE21 GLN A 79 3.320 5.109 -7.825 1.00 12.12 H new ATOM 0 HE22 GLN A 79 3.776 5.113 -9.532 1.00 12.12 H new ATOM 1206 N PHE A 80 -3.099 8.313 -7.643 1.00 12.01 N ATOM 1207 CA PHE A 80 -4.304 8.953 -8.202 1.00 60.41 C ATOM 1208 C PHE A 80 -4.775 10.103 -7.292 1.00 72.24 C ATOM 1209 O PHE A 80 -5.106 11.192 -7.769 1.00 53.31 O ATOM 1210 CB PHE A 80 -5.429 7.893 -8.394 1.00 73.34 C ATOM 1211 CG PHE A 80 -6.709 8.424 -9.042 1.00 22.23 C ATOM 1212 CD1 PHE A 80 -6.733 8.754 -10.398 1.00 11.44 C ATOM 1213 CD2 PHE A 80 -7.881 8.588 -8.306 1.00 14.12 C ATOM 1214 CE1 PHE A 80 -7.888 9.232 -10.990 1.00 12.24 C ATOM 1215 CE2 PHE A 80 -9.031 9.065 -8.897 1.00 32.45 C ATOM 1216 CZ PHE A 80 -9.036 9.385 -10.238 1.00 52.13 C ATOM 0 H PHE A 80 -3.268 7.376 -7.276 1.00 12.01 H new ATOM 0 HA PHE A 80 -4.061 9.377 -9.177 1.00 60.41 H new ATOM 0 HB2 PHE A 80 -5.040 7.078 -9.005 1.00 73.34 H new ATOM 0 HB3 PHE A 80 -5.680 7.470 -7.421 1.00 73.34 H new ATOM 0 HD1 PHE A 80 -5.839 8.635 -10.992 1.00 11.44 H new ATOM 0 HD2 PHE A 80 -7.888 8.337 -7.256 1.00 14.12 H new ATOM 0 HE1 PHE A 80 -7.892 9.485 -12.040 1.00 12.24 H new ATOM 0 HE2 PHE A 80 -9.929 9.188 -8.309 1.00 32.45 H new ATOM 0 HZ PHE A 80 -9.939 9.756 -10.701 1.00 52.13 H new ATOM 1226 N TYR A 81 -4.795 9.843 -5.974 1.00 54.02 N ATOM 1227 CA TYR A 81 -5.249 10.823 -4.965 1.00 4.33 C ATOM 1228 C TYR A 81 -4.086 11.713 -4.474 1.00 51.10 C ATOM 1229 O TYR A 81 -4.269 12.909 -4.221 1.00 61.54 O ATOM 1230 CB TYR A 81 -5.912 10.079 -3.779 1.00 32.13 C ATOM 1231 CG TYR A 81 -7.157 9.276 -4.195 1.00 74.14 C ATOM 1232 CD1 TYR A 81 -8.329 9.931 -4.589 1.00 31.21 C ATOM 1233 CD2 TYR A 81 -7.160 7.878 -4.209 1.00 51.41 C ATOM 1234 CE1 TYR A 81 -9.445 9.226 -4.984 1.00 5.41 C ATOM 1235 CE2 TYR A 81 -8.279 7.173 -4.602 1.00 24.15 C ATOM 1236 CZ TYR A 81 -9.417 7.851 -4.985 1.00 24.15 C ATOM 1237 OH TYR A 81 -10.532 7.152 -5.383 1.00 75.33 O ATOM 0 H TYR A 81 -4.499 8.952 -5.576 1.00 54.02 H new ATOM 0 HA TYR A 81 -5.983 11.481 -5.430 1.00 4.33 H new ATOM 0 HB2 TYR A 81 -5.185 9.404 -3.328 1.00 32.13 H new ATOM 0 HB3 TYR A 81 -6.192 10.803 -3.014 1.00 32.13 H new ATOM 0 HD1 TYR A 81 -8.359 11.011 -4.583 1.00 31.21 H new ATOM 0 HD2 TYR A 81 -6.273 7.342 -3.907 1.00 51.41 H new ATOM 0 HE1 TYR A 81 -10.338 9.751 -5.291 1.00 5.41 H new ATOM 0 HE2 TYR A 81 -8.264 6.093 -4.610 1.00 24.15 H new ATOM 0 HH TYR A 81 -10.276 6.480 -6.049 1.00 75.33 H new ATOM 1247 N ILE A 82 -2.893 11.104 -4.356 1.00 61.22 N ATOM 1248 CA ILE A 82 -1.683 11.747 -3.791 1.00 12.45 C ATOM 1249 C ILE A 82 -0.574 11.787 -4.874 1.00 52.13 C ATOM 1250 O ILE A 82 0.007 10.745 -5.194 1.00 74.53 O ATOM 1251 CB ILE A 82 -1.152 10.955 -2.528 1.00 14.23 C ATOM 1252 CG1 ILE A 82 -2.310 10.639 -1.534 1.00 2.34 C ATOM 1253 CG2 ILE A 82 -0.008 11.724 -1.824 1.00 62.14 C ATOM 1254 CD1 ILE A 82 -1.938 9.671 -0.435 1.00 31.22 C ATOM 0 H ILE A 82 -2.735 10.141 -4.652 1.00 61.22 H new ATOM 0 HA ILE A 82 -1.944 12.758 -3.478 1.00 12.45 H new ATOM 0 HB ILE A 82 -0.747 10.006 -2.880 1.00 14.23 H new ATOM 0 HG12 ILE A 82 -2.650 11.571 -1.082 1.00 2.34 H new ATOM 0 HG13 ILE A 82 -3.152 10.230 -2.093 1.00 2.34 H new ATOM 0 HG21 ILE A 82 0.336 11.155 -0.960 1.00 62.14 H new ATOM 0 HG22 ILE A 82 0.819 11.862 -2.520 1.00 62.14 H new ATOM 0 HG23 ILE A 82 -0.372 12.697 -1.495 1.00 62.14 H new ATOM 0 HD11 ILE A 82 -2.800 9.506 0.212 1.00 31.22 H new ATOM 0 HD12 ILE A 82 -1.628 8.723 -0.875 1.00 31.22 H new ATOM 0 HD13 ILE A 82 -1.118 10.085 0.152 1.00 31.22 H new ATOM 1266 N PRO A 83 -0.260 12.987 -5.464 1.00 14.40 N ATOM 1267 CA PRO A 83 0.815 13.131 -6.488 1.00 3.52 C ATOM 1268 C PRO A 83 2.239 12.966 -5.905 1.00 41.44 C ATOM 1269 O PRO A 83 3.215 12.928 -6.652 1.00 52.43 O ATOM 1270 CB PRO A 83 0.587 14.567 -7.068 1.00 25.44 C ATOM 1271 CG PRO A 83 -0.748 15.014 -6.523 1.00 55.42 C ATOM 1272 CD PRO A 83 -0.919 14.292 -5.206 1.00 14.32 C ATOM 0 HA PRO A 83 0.756 12.350 -7.246 1.00 3.52 H new ATOM 0 HB2 PRO A 83 1.383 15.245 -6.761 1.00 25.44 H new ATOM 0 HB3 PRO A 83 0.582 14.554 -8.158 1.00 25.44 H new ATOM 0 HG2 PRO A 83 -0.771 16.095 -6.382 1.00 55.42 H new ATOM 0 HG3 PRO A 83 -1.555 14.765 -7.213 1.00 55.42 H new ATOM 0 HD2 PRO A 83 -0.446 14.830 -4.385 1.00 14.32 H new ATOM 0 HD3 PRO A 83 -1.970 14.171 -4.944 1.00 14.32 H new ATOM 1280 N GLU A 84 2.337 12.851 -4.570 1.00 22.20 N ATOM 1281 CA GLU A 84 3.623 12.736 -3.856 1.00 62.54 C ATOM 1282 C GLU A 84 4.220 11.320 -3.991 1.00 21.01 C ATOM 1283 O GLU A 84 5.418 11.126 -3.787 1.00 31.44 O ATOM 1284 CB GLU A 84 3.420 13.092 -2.355 1.00 71.45 C ATOM 1285 CG GLU A 84 2.566 14.360 -2.093 1.00 33.24 C ATOM 1286 CD GLU A 84 3.135 15.643 -2.719 1.00 25.31 C ATOM 1287 OE1 GLU A 84 4.034 16.267 -2.116 1.00 1.03 O ATOM 1288 OE2 GLU A 84 2.701 16.024 -3.829 1.00 44.01 O ATOM 0 H GLU A 84 1.525 12.835 -3.953 1.00 22.20 H new ATOM 0 HA GLU A 84 4.327 13.436 -4.306 1.00 62.54 H new ATOM 0 HB2 GLU A 84 2.948 12.245 -1.857 1.00 71.45 H new ATOM 0 HB3 GLU A 84 4.398 13.229 -1.894 1.00 71.45 H new ATOM 0 HG2 GLU A 84 1.561 14.194 -2.481 1.00 33.24 H new ATOM 0 HG3 GLU A 84 2.472 14.505 -1.017 1.00 33.24 H new ATOM 1295 N VAL A 85 3.366 10.339 -4.327 1.00 25.30 N ATOM 1296 CA VAL A 85 3.761 8.929 -4.448 1.00 53.14 C ATOM 1297 C VAL A 85 4.392 8.654 -5.834 1.00 42.54 C ATOM 1298 O VAL A 85 3.783 8.935 -6.869 1.00 1.43 O ATOM 1299 CB VAL A 85 2.526 7.987 -4.203 1.00 33.43 C ATOM 1300 CG1 VAL A 85 2.909 6.490 -4.314 1.00 50.42 C ATOM 1301 CG2 VAL A 85 1.878 8.291 -2.831 1.00 73.45 C ATOM 0 H VAL A 85 2.379 10.504 -4.523 1.00 25.30 H new ATOM 0 HA VAL A 85 4.511 8.717 -3.686 1.00 53.14 H new ATOM 0 HB VAL A 85 1.796 8.190 -4.987 1.00 33.43 H new ATOM 0 HG11 VAL A 85 2.027 5.875 -4.138 1.00 50.42 H new ATOM 0 HG12 VAL A 85 3.300 6.287 -5.311 1.00 50.42 H new ATOM 0 HG13 VAL A 85 3.671 6.253 -3.571 1.00 50.42 H new ATOM 0 HG21 VAL A 85 1.025 7.630 -2.677 1.00 73.45 H new ATOM 0 HG22 VAL A 85 2.610 8.129 -2.039 1.00 73.45 H new ATOM 0 HG23 VAL A 85 1.543 9.328 -2.809 1.00 73.45 H new ATOM 1311 N GLU A 86 5.640 8.161 -5.815 1.00 3.50 N ATOM 1312 CA GLU A 86 6.370 7.676 -7.003 1.00 34.10 C ATOM 1313 C GLU A 86 6.138 6.170 -7.200 1.00 61.41 C ATOM 1314 O GLU A 86 6.013 5.680 -8.333 1.00 14.02 O ATOM 1315 CB GLU A 86 7.894 7.951 -6.840 1.00 14.14 C ATOM 1316 CG GLU A 86 8.268 9.435 -6.643 1.00 24.15 C ATOM 1317 CD GLU A 86 7.721 10.354 -7.749 1.00 63.21 C ATOM 1318 OE1 GLU A 86 8.269 10.348 -8.873 1.00 11.34 O ATOM 1319 OE2 GLU A 86 6.732 11.074 -7.506 1.00 64.23 O ATOM 0 H GLU A 86 6.184 8.086 -4.956 1.00 3.50 H new ATOM 0 HA GLU A 86 5.997 8.208 -7.878 1.00 34.10 H new ATOM 0 HB2 GLU A 86 8.262 7.382 -5.986 1.00 14.14 H new ATOM 0 HB3 GLU A 86 8.413 7.574 -7.721 1.00 14.14 H new ATOM 0 HG2 GLU A 86 7.888 9.773 -5.679 1.00 24.15 H new ATOM 0 HG3 GLU A 86 9.354 9.527 -6.608 1.00 24.15 H new ATOM 1326 N GLY A 87 6.083 5.444 -6.076 1.00 20.30 N ATOM 1327 CA GLY A 87 5.974 3.995 -6.102 1.00 2.02 C ATOM 1328 C GLY A 87 5.597 3.411 -4.757 1.00 34.01 C ATOM 1329 O GLY A 87 5.370 4.144 -3.797 1.00 51.14 O ATOM 0 H GLY A 87 6.113 5.846 -5.139 1.00 20.30 H new ATOM 0 HA2 GLY A 87 5.228 3.705 -6.841 1.00 2.02 H new ATOM 0 HA3 GLY A 87 6.924 3.569 -6.424 1.00 2.02 H new ATOM 1333 N VAL A 88 5.485 2.073 -4.722 1.00 51.22 N ATOM 1334 CA VAL A 88 5.288 1.271 -3.490 1.00 52.03 C ATOM 1335 C VAL A 88 6.326 0.132 -3.492 1.00 35.54 C ATOM 1336 O VAL A 88 6.495 -0.542 -4.513 1.00 44.43 O ATOM 1337 CB VAL A 88 3.815 0.676 -3.380 1.00 72.11 C ATOM 1338 CG1 VAL A 88 3.687 -0.397 -2.262 1.00 41.31 C ATOM 1339 CG2 VAL A 88 2.781 1.805 -3.151 1.00 65.20 C ATOM 0 H VAL A 88 5.529 1.500 -5.565 1.00 51.22 H new ATOM 0 HA VAL A 88 5.423 1.920 -2.625 1.00 52.03 H new ATOM 0 HB VAL A 88 3.607 0.184 -4.330 1.00 72.11 H new ATOM 0 HG11 VAL A 88 2.663 -0.769 -2.230 1.00 41.31 H new ATOM 0 HG12 VAL A 88 4.367 -1.223 -2.471 1.00 41.31 H new ATOM 0 HG13 VAL A 88 3.941 0.048 -1.300 1.00 41.31 H new ATOM 0 HG21 VAL A 88 1.782 1.375 -3.079 1.00 65.20 H new ATOM 0 HG22 VAL A 88 3.016 2.332 -2.226 1.00 65.20 H new ATOM 0 HG23 VAL A 88 2.815 2.505 -3.986 1.00 65.20 H new ATOM 1349 N GLU A 89 7.024 -0.070 -2.365 1.00 63.52 N ATOM 1350 CA GLU A 89 8.009 -1.157 -2.210 1.00 50.32 C ATOM 1351 C GLU A 89 7.488 -2.173 -1.191 1.00 3.13 C ATOM 1352 O GLU A 89 6.904 -1.789 -0.176 1.00 34.31 O ATOM 1353 CB GLU A 89 9.376 -0.587 -1.753 1.00 22.01 C ATOM 1354 CG GLU A 89 10.473 -1.649 -1.531 1.00 25.31 C ATOM 1355 CD GLU A 89 11.846 -1.065 -1.169 1.00 21.24 C ATOM 1356 OE1 GLU A 89 11.916 -0.175 -0.293 1.00 71.33 O ATOM 1357 OE2 GLU A 89 12.872 -1.513 -1.737 1.00 55.33 O ATOM 0 H GLU A 89 6.924 0.514 -1.534 1.00 63.52 H new ATOM 0 HA GLU A 89 8.151 -1.652 -3.171 1.00 50.32 H new ATOM 0 HB2 GLU A 89 9.725 0.126 -2.499 1.00 22.01 H new ATOM 0 HB3 GLU A 89 9.232 -0.033 -0.825 1.00 22.01 H new ATOM 0 HG2 GLU A 89 10.156 -2.323 -0.735 1.00 25.31 H new ATOM 0 HG3 GLU A 89 10.572 -2.248 -2.436 1.00 25.31 H new ATOM 1364 N GLN A 90 7.679 -3.470 -1.477 1.00 21.42 N ATOM 1365 CA GLN A 90 7.416 -4.538 -0.514 1.00 54.24 C ATOM 1366 C GLN A 90 8.674 -4.735 0.346 1.00 55.21 C ATOM 1367 O GLN A 90 9.736 -5.094 -0.173 1.00 45.04 O ATOM 1368 CB GLN A 90 7.054 -5.860 -1.230 1.00 25.23 C ATOM 1369 CG GLN A 90 6.722 -7.024 -0.264 1.00 44.03 C ATOM 1370 CD GLN A 90 6.590 -8.379 -0.954 1.00 74.23 C ATOM 1371 OE1 GLN A 90 7.264 -8.649 -1.943 1.00 52.41 O ATOM 1372 NE2 GLN A 90 5.721 -9.238 -0.448 1.00 74.33 N ATOM 0 H GLN A 90 8.019 -3.802 -2.380 1.00 21.42 H new ATOM 0 HA GLN A 90 6.567 -4.258 0.110 1.00 54.24 H new ATOM 0 HB2 GLN A 90 6.198 -5.686 -1.882 1.00 25.23 H new ATOM 0 HB3 GLN A 90 7.886 -6.156 -1.868 1.00 25.23 H new ATOM 0 HG2 GLN A 90 7.502 -7.088 0.495 1.00 44.03 H new ATOM 0 HG3 GLN A 90 5.790 -6.799 0.255 1.00 44.03 H new ATOM 0 HE21 GLN A 90 5.175 -8.985 0.375 1.00 74.33 H new ATOM 0 HE22 GLN A 90 5.597 -10.153 -0.881 1.00 74.33 H new ATOM 1381 N VAL A 91 8.548 -4.471 1.645 1.00 32.51 N ATOM 1382 CA VAL A 91 9.632 -4.633 2.625 1.00 14.14 C ATOM 1383 C VAL A 91 9.157 -5.556 3.754 1.00 60.24 C ATOM 1384 O VAL A 91 8.203 -5.225 4.463 1.00 53.31 O ATOM 1385 CB VAL A 91 10.082 -3.236 3.229 1.00 53.12 C ATOM 1386 CG1 VAL A 91 11.024 -2.471 2.269 1.00 72.31 C ATOM 1387 CG2 VAL A 91 8.860 -2.357 3.587 1.00 72.30 C ATOM 0 H VAL A 91 7.678 -4.133 2.057 1.00 32.51 H new ATOM 0 HA VAL A 91 10.492 -5.071 2.118 1.00 14.14 H new ATOM 0 HB VAL A 91 10.634 -3.453 4.144 1.00 53.12 H new ATOM 0 HG11 VAL A 91 11.309 -1.520 2.720 1.00 72.31 H new ATOM 0 HG12 VAL A 91 11.918 -3.067 2.084 1.00 72.31 H new ATOM 0 HG13 VAL A 91 10.510 -2.286 1.326 1.00 72.31 H new ATOM 0 HG21 VAL A 91 9.203 -1.407 3.998 1.00 72.30 H new ATOM 0 HG22 VAL A 91 8.270 -2.172 2.690 1.00 72.30 H new ATOM 0 HG23 VAL A 91 8.246 -2.872 4.326 1.00 72.30 H new