USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 45 THR OG1 : rot -64:sc= 0.959 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.836 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -159:sc= -0.843! (180deg=-3.75!) USER MOD Set 2.2: A 73 ASN : amide:sc= 0.751 K(o=-0.091,f=-13!) USER MOD Set 3.1: A 22 SER OG : rot -152:sc= -2.13! USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 32 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00551) USER MOD Single : A 46 TYR OH : rot -19:sc= -1.64! USER MOD Single : A 50 SER OG : rot -69:sc= 0.962 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.93 X(o=-1.9,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 2.45 (180deg=2.36) USER MOD Single : A 80 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 0.586 (180deg=0.444) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0412 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.482 -1.237 -4.332 1.00 1.14 N ATOM 282 CA LEU A 19 -12.450 -1.412 -3.311 1.00 34.20 C ATOM 283 C LEU A 19 -12.727 -0.492 -2.116 1.00 22.35 C ATOM 284 O LEU A 19 -12.930 0.710 -2.280 1.00 31.13 O ATOM 285 CB LEU A 19 -11.058 -1.127 -3.895 1.00 75.31 C ATOM 286 CG LEU A 19 -10.660 -1.997 -5.100 1.00 70.20 C ATOM 287 CD1 LEU A 19 -9.250 -1.651 -5.574 1.00 52.20 C ATOM 288 CD2 LEU A 19 -10.766 -3.483 -4.757 1.00 11.01 C ATOM 0 HA LEU A 19 -12.473 -2.447 -2.969 1.00 34.20 H new ATOM 0 HB2 LEU A 19 -11.015 -0.080 -4.194 1.00 75.31 H new ATOM 0 HB3 LEU A 19 -10.317 -1.265 -3.108 1.00 75.31 H new ATOM 0 HG LEU A 19 -11.354 -1.787 -5.913 1.00 70.20 H new ATOM 0 HD11 LEU A 19 -8.989 -2.278 -6.427 1.00 52.20 H new ATOM 0 HD12 LEU A 19 -9.213 -0.602 -5.869 1.00 52.20 H new ATOM 0 HD13 LEU A 19 -8.541 -1.825 -4.765 1.00 52.20 H new ATOM 0 HD21 LEU A 19 -10.480 -4.078 -5.624 1.00 11.01 H new ATOM 0 HD22 LEU A 19 -10.101 -3.712 -3.924 1.00 11.01 H new ATOM 0 HD23 LEU A 19 -11.793 -3.720 -4.478 1.00 11.01 H new ATOM 300 N LYS A 20 -12.759 -1.062 -0.915 1.00 72.30 N ATOM 301 CA LYS A 20 -13.058 -0.287 0.294 1.00 11.10 C ATOM 302 C LYS A 20 -11.941 -0.409 1.348 1.00 71.00 C ATOM 303 O LYS A 20 -11.671 -1.495 1.874 1.00 33.45 O ATOM 304 CB LYS A 20 -14.426 -0.706 0.863 1.00 33.21 C ATOM 305 CG LYS A 20 -15.596 -0.226 -0.002 1.00 64.32 C ATOM 306 CD LYS A 20 -16.959 -0.591 0.583 1.00 62.32 C ATOM 307 CE LYS A 20 -17.263 -2.081 0.459 1.00 24.32 C ATOM 308 NZ LYS A 20 -18.619 -2.412 0.974 1.00 43.42 N ATOM 0 H LYS A 20 -12.583 -2.053 -0.749 1.00 72.30 H new ATOM 0 HA LYS A 20 -13.106 0.767 0.019 1.00 11.10 H new ATOM 0 HB2 LYS A 20 -14.463 -1.792 0.947 1.00 33.21 H new ATOM 0 HB3 LYS A 20 -14.535 -0.304 1.870 1.00 33.21 H new ATOM 0 HG2 LYS A 20 -15.535 0.856 -0.119 1.00 64.32 H new ATOM 0 HG3 LYS A 20 -15.506 -0.660 -0.998 1.00 64.32 H new ATOM 0 HD2 LYS A 20 -16.990 -0.303 1.634 1.00 62.32 H new ATOM 0 HD3 LYS A 20 -17.735 -0.021 0.073 1.00 62.32 H new ATOM 0 HE2 LYS A 20 -17.187 -2.382 -0.586 1.00 24.32 H new ATOM 0 HE3 LYS A 20 -16.515 -2.652 1.010 1.00 24.32 H new ATOM 0 HZ1 LYS A 20 -18.789 -3.433 0.873 1.00 43.42 H new ATOM 0 HZ2 LYS A 20 -18.683 -2.148 1.978 1.00 43.42 H new ATOM 0 HZ3 LYS A 20 -19.334 -1.887 0.432 1.00 43.42 H new ATOM 322 N PHE A 21 -11.320 0.737 1.647 1.00 32.42 N ATOM 323 CA PHE A 21 -10.143 0.834 2.534 1.00 65.44 C ATOM 324 C PHE A 21 -10.410 0.291 3.952 1.00 73.11 C ATOM 325 O PHE A 21 -11.555 0.198 4.388 1.00 10.30 O ATOM 326 CB PHE A 21 -9.705 2.310 2.602 1.00 35.01 C ATOM 327 CG PHE A 21 -8.478 2.573 3.449 1.00 51.22 C ATOM 328 CD1 PHE A 21 -7.211 2.244 2.987 1.00 60.23 C ATOM 329 CD2 PHE A 21 -8.594 3.158 4.706 1.00 12.34 C ATOM 330 CE1 PHE A 21 -6.089 2.486 3.756 1.00 11.42 C ATOM 331 CE2 PHE A 21 -7.473 3.402 5.477 1.00 4.41 C ATOM 332 CZ PHE A 21 -6.221 3.066 5.002 1.00 15.15 C ATOM 0 H PHE A 21 -11.621 1.639 1.277 1.00 32.42 H new ATOM 0 HA PHE A 21 -9.352 0.212 2.115 1.00 65.44 H new ATOM 0 HB2 PHE A 21 -9.512 2.663 1.589 1.00 35.01 H new ATOM 0 HB3 PHE A 21 -10.532 2.902 2.994 1.00 35.01 H new ATOM 0 HD1 PHE A 21 -7.101 1.792 2.012 1.00 60.23 H new ATOM 0 HD2 PHE A 21 -9.570 3.424 5.083 1.00 12.34 H new ATOM 0 HE1 PHE A 21 -5.110 2.222 3.383 1.00 11.42 H new ATOM 0 HE2 PHE A 21 -7.577 3.856 6.452 1.00 4.41 H new ATOM 0 HZ PHE A 21 -5.345 3.257 5.605 1.00 15.15 H new ATOM 342 N SER A 22 -9.337 -0.092 4.655 1.00 20.34 N ATOM 343 CA SER A 22 -9.434 -0.508 6.070 1.00 52.33 C ATOM 344 C SER A 22 -8.347 0.132 6.937 1.00 62.03 C ATOM 345 O SER A 22 -8.643 0.922 7.831 1.00 5.42 O ATOM 346 CB SER A 22 -9.329 -2.034 6.203 1.00 33.11 C ATOM 347 OG SER A 22 -10.503 -2.677 5.751 1.00 63.22 O ATOM 0 H SER A 22 -8.392 -0.124 4.273 1.00 20.34 H new ATOM 0 HA SER A 22 -10.408 -0.168 6.421 1.00 52.33 H new ATOM 0 HB2 SER A 22 -8.474 -2.392 5.630 1.00 33.11 H new ATOM 0 HB3 SER A 22 -9.147 -2.297 7.245 1.00 33.11 H new ATOM 0 HG SER A 22 -10.613 -3.528 6.224 1.00 63.22 H new ATOM 353 N ALA A 23 -7.089 -0.218 6.674 1.00 42.11 N ATOM 354 CA ALA A 23 -5.969 0.279 7.480 1.00 34.54 C ATOM 355 C ALA A 23 -4.625 0.157 6.748 1.00 22.04 C ATOM 356 O ALA A 23 -4.558 -0.308 5.607 1.00 35.01 O ATOM 357 CB ALA A 23 -5.917 -0.464 8.813 1.00 41.43 C ATOM 0 H ALA A 23 -6.818 -0.841 5.913 1.00 42.11 H new ATOM 0 HA ALA A 23 -6.140 1.340 7.660 1.00 34.54 H new ATOM 0 HB1 ALA A 23 -5.083 -0.089 9.406 1.00 41.43 H new ATOM 0 HB2 ALA A 23 -6.849 -0.304 9.356 1.00 41.43 H new ATOM 0 HB3 ALA A 23 -5.782 -1.530 8.630 1.00 41.43 H new ATOM 363 N LEU A 24 -3.557 0.575 7.423 1.00 14.23 N ATOM 364 CA LEU A 24 -2.195 0.447 6.899 1.00 0.24 C ATOM 365 C LEU A 24 -1.597 -0.917 7.292 1.00 31.41 C ATOM 366 O LEU A 24 -1.484 -1.237 8.476 1.00 22.21 O ATOM 367 CB LEU A 24 -1.322 1.588 7.448 1.00 10.42 C ATOM 368 CG LEU A 24 0.148 1.598 6.987 1.00 40.50 C ATOM 369 CD1 LEU A 24 0.253 1.833 5.481 1.00 1.34 C ATOM 370 CD2 LEU A 24 0.939 2.654 7.757 1.00 11.51 C ATOM 0 H LEU A 24 -3.608 1.010 8.344 1.00 14.23 H new ATOM 0 HA LEU A 24 -2.224 0.510 5.811 1.00 0.24 H new ATOM 0 HB2 LEU A 24 -1.778 2.536 7.163 1.00 10.42 H new ATOM 0 HB3 LEU A 24 -1.340 1.540 8.537 1.00 10.42 H new ATOM 0 HG LEU A 24 0.577 0.619 7.200 1.00 40.50 H new ATOM 0 HD11 LEU A 24 1.302 1.835 5.185 1.00 1.34 H new ATOM 0 HD12 LEU A 24 -0.272 1.038 4.951 1.00 1.34 H new ATOM 0 HD13 LEU A 24 -0.196 2.794 5.231 1.00 1.34 H new ATOM 0 HD21 LEU A 24 1.976 2.649 7.420 1.00 11.51 H new ATOM 0 HD22 LEU A 24 0.504 3.637 7.578 1.00 11.51 H new ATOM 0 HD23 LEU A 24 0.903 2.430 8.823 1.00 11.51 H new ATOM 382 N ARG A 25 -1.230 -1.723 6.303 1.00 63.15 N ATOM 383 CA ARG A 25 -0.679 -3.062 6.560 1.00 74.11 C ATOM 384 C ARG A 25 0.781 -2.987 7.029 1.00 42.44 C ATOM 385 O ARG A 25 1.135 -3.510 8.087 1.00 20.42 O ATOM 386 CB ARG A 25 -0.780 -3.922 5.290 1.00 74.42 C ATOM 387 CG ARG A 25 -0.348 -5.377 5.477 1.00 20.11 C ATOM 388 CD ARG A 25 -1.229 -6.100 6.489 1.00 21.54 C ATOM 389 NE ARG A 25 -0.982 -7.540 6.507 1.00 21.33 N ATOM 390 CZ ARG A 25 -1.862 -8.436 6.147 1.00 23.14 C ATOM 391 NH1 ARG A 25 -3.029 -8.080 5.707 1.00 52.45 N ATOM 392 NH2 ARG A 25 -1.570 -9.692 6.220 1.00 53.30 N ATOM 0 H ARG A 25 -1.301 -1.480 5.315 1.00 63.15 H new ATOM 0 HA ARG A 25 -1.264 -3.520 7.357 1.00 74.11 H new ATOM 0 HB2 ARG A 25 -1.810 -3.904 4.935 1.00 74.42 H new ATOM 0 HB3 ARG A 25 -0.166 -3.471 4.510 1.00 74.42 H new ATOM 0 HG2 ARG A 25 -0.392 -5.896 4.519 1.00 20.11 H new ATOM 0 HG3 ARG A 25 0.690 -5.409 5.809 1.00 20.11 H new ATOM 0 HD2 ARG A 25 -1.049 -5.690 7.483 1.00 21.54 H new ATOM 0 HD3 ARG A 25 -2.277 -5.916 6.253 1.00 21.54 H new ATOM 0 HE ARG A 25 -0.067 -7.865 6.820 1.00 21.33 H new ATOM 0 HH11 ARG A 25 -3.268 -7.091 5.639 1.00 52.45 H new ATOM 0 HH12 ARG A 25 -3.707 -8.789 5.429 1.00 52.45 H new ATOM 0 HH21 ARG A 25 -0.653 -9.984 6.558 1.00 53.30 H new ATOM 0 HH22 ARG A 25 -2.256 -10.392 5.939 1.00 53.30 H new ATOM 406 N ARG A 26 1.621 -2.335 6.229 1.00 14.32 N ATOM 407 CA ARG A 26 3.048 -2.182 6.544 1.00 75.42 C ATOM 408 C ARG A 26 3.737 -1.258 5.535 1.00 60.23 C ATOM 409 O ARG A 26 3.573 -1.417 4.330 1.00 55.50 O ATOM 410 CB ARG A 26 3.769 -3.544 6.540 1.00 41.51 C ATOM 411 CG ARG A 26 5.291 -3.426 6.679 1.00 52.51 C ATOM 412 CD ARG A 26 6.002 -4.765 6.523 1.00 50.43 C ATOM 413 NE ARG A 26 5.738 -5.677 7.634 1.00 55.40 N ATOM 414 CZ ARG A 26 6.456 -6.740 7.892 1.00 24.31 C ATOM 415 NH1 ARG A 26 7.485 -7.035 7.162 1.00 31.14 N ATOM 416 NH2 ARG A 26 6.154 -7.499 8.893 1.00 24.24 N ATOM 0 H ARG A 26 1.340 -1.900 5.350 1.00 14.32 H new ATOM 0 HA ARG A 26 3.109 -1.744 7.540 1.00 75.42 H new ATOM 0 HB2 ARG A 26 3.383 -4.154 7.357 1.00 41.51 H new ATOM 0 HB3 ARG A 26 3.536 -4.068 5.613 1.00 41.51 H new ATOM 0 HG2 ARG A 26 5.667 -2.730 5.929 1.00 52.51 H new ATOM 0 HG3 ARG A 26 5.531 -3.004 7.655 1.00 52.51 H new ATOM 0 HD2 ARG A 26 5.686 -5.233 5.591 1.00 50.43 H new ATOM 0 HD3 ARG A 26 7.076 -4.595 6.446 1.00 50.43 H new ATOM 0 HE ARG A 26 4.947 -5.473 8.245 1.00 55.40 H new ATOM 0 HH11 ARG A 26 7.742 -6.436 6.377 1.00 31.14 H new ATOM 0 HH12 ARG A 26 8.038 -7.866 7.372 1.00 31.14 H new ATOM 0 HH21 ARG A 26 5.355 -7.270 9.484 1.00 24.24 H new ATOM 0 HH22 ARG A 26 6.715 -8.327 9.092 1.00 24.24 H new ATOM 430 N GLU A 27 4.505 -0.292 6.026 1.00 60.42 N ATOM 431 CA GLU A 27 5.345 0.530 5.149 1.00 4.12 C ATOM 432 C GLU A 27 6.734 -0.111 5.012 1.00 53.43 C ATOM 433 O GLU A 27 7.586 0.035 5.891 1.00 12.52 O ATOM 434 CB GLU A 27 5.477 1.956 5.705 1.00 3.11 C ATOM 435 CG GLU A 27 4.141 2.607 6.052 1.00 60.21 C ATOM 436 CD GLU A 27 4.299 4.009 6.616 1.00 31.44 C ATOM 437 OE1 GLU A 27 4.904 4.154 7.701 1.00 14.14 O ATOM 438 OE2 GLU A 27 3.828 4.973 5.973 1.00 5.42 O ATOM 0 H GLU A 27 4.567 -0.057 7.017 1.00 60.42 H new ATOM 0 HA GLU A 27 4.874 0.586 4.167 1.00 4.12 H new ATOM 0 HB2 GLU A 27 6.102 1.932 6.598 1.00 3.11 H new ATOM 0 HB3 GLU A 27 5.993 2.576 4.972 1.00 3.11 H new ATOM 0 HG2 GLU A 27 3.519 2.648 5.158 1.00 60.21 H new ATOM 0 HG3 GLU A 27 3.616 1.985 6.777 1.00 60.21 H new ATOM 445 N VAL A 28 6.951 -0.840 3.918 1.00 74.44 N ATOM 446 CA VAL A 28 8.212 -1.559 3.716 1.00 43.21 C ATOM 447 C VAL A 28 9.383 -0.586 3.520 1.00 24.22 C ATOM 448 O VAL A 28 9.395 0.223 2.591 1.00 73.10 O ATOM 449 CB VAL A 28 8.127 -2.548 2.522 1.00 30.51 C ATOM 450 CG1 VAL A 28 7.113 -3.653 2.815 1.00 43.41 C ATOM 451 CG2 VAL A 28 7.772 -1.822 1.226 1.00 63.14 C ATOM 0 H VAL A 28 6.276 -0.949 3.161 1.00 74.44 H new ATOM 0 HA VAL A 28 8.394 -2.140 4.620 1.00 43.21 H new ATOM 0 HB VAL A 28 9.109 -3.002 2.391 1.00 30.51 H new ATOM 0 HG11 VAL A 28 7.066 -4.337 1.968 1.00 43.41 H new ATOM 0 HG12 VAL A 28 7.418 -4.200 3.707 1.00 43.41 H new ATOM 0 HG13 VAL A 28 6.130 -3.211 2.979 1.00 43.41 H new ATOM 0 HG21 VAL A 28 7.720 -2.541 0.409 1.00 63.14 H new ATOM 0 HG22 VAL A 28 6.806 -1.329 1.338 1.00 63.14 H new ATOM 0 HG23 VAL A 28 8.536 -1.077 1.005 1.00 63.14 H new ATOM 461 N ARG A 29 10.364 -0.658 4.415 1.00 52.21 N ATOM 462 CA ARG A 29 11.492 0.271 4.395 1.00 1.01 C ATOM 463 C ARG A 29 12.726 -0.334 3.710 1.00 62.04 C ATOM 464 O ARG A 29 12.790 -1.537 3.449 1.00 42.54 O ATOM 465 CB ARG A 29 11.821 0.735 5.819 1.00 62.20 C ATOM 466 CG ARG A 29 10.653 1.452 6.490 1.00 43.41 C ATOM 467 CD ARG A 29 11.047 2.114 7.804 1.00 24.41 C ATOM 468 NE ARG A 29 9.905 2.777 8.437 1.00 63.41 N ATOM 469 CZ ARG A 29 9.960 3.934 9.037 1.00 13.00 C ATOM 470 NH1 ARG A 29 11.051 4.625 9.047 1.00 14.54 N ATOM 471 NH2 ARG A 29 8.902 4.420 9.595 1.00 55.42 N ATOM 0 H ARG A 29 10.402 -1.350 5.164 1.00 52.21 H new ATOM 0 HA ARG A 29 11.198 1.138 3.803 1.00 1.01 H new ATOM 0 HB2 ARG A 29 12.106 -0.128 6.421 1.00 62.20 H new ATOM 0 HB3 ARG A 29 12.683 1.402 5.789 1.00 62.20 H new ATOM 0 HG2 ARG A 29 10.258 2.208 5.811 1.00 43.41 H new ATOM 0 HG3 ARG A 29 9.851 0.738 6.674 1.00 43.41 H new ATOM 0 HD2 ARG A 29 11.455 1.364 8.482 1.00 24.41 H new ATOM 0 HD3 ARG A 29 11.837 2.843 7.622 1.00 24.41 H new ATOM 0 HE ARG A 29 9.003 2.301 8.407 1.00 63.41 H new ATOM 0 HH11 ARG A 29 11.885 4.268 8.581 1.00 14.54 H new ATOM 0 HH12 ARG A 29 11.078 5.528 9.520 1.00 14.54 H new ATOM 0 HH21 ARG A 29 8.025 3.899 9.566 1.00 55.42 H new ATOM 0 HH22 ARG A 29 8.943 5.325 10.065 1.00 55.42 H new ATOM 485 N ILE A 30 13.705 0.516 3.426 1.00 10.51 N ATOM 486 CA ILE A 30 14.875 0.129 2.634 1.00 62.34 C ATOM 487 C ILE A 30 15.950 -0.566 3.492 1.00 5.41 C ATOM 488 O ILE A 30 16.708 0.082 4.209 1.00 62.14 O ATOM 489 CB ILE A 30 15.484 1.375 1.939 1.00 35.42 C ATOM 490 CG1 ILE A 30 14.394 2.102 1.125 1.00 74.24 C ATOM 491 CG2 ILE A 30 16.667 0.986 1.048 1.00 34.53 C ATOM 492 CD1 ILE A 30 14.819 3.450 0.581 1.00 51.43 C ATOM 0 H ILE A 30 13.715 1.488 3.734 1.00 10.51 H new ATOM 0 HA ILE A 30 14.538 -0.585 1.882 1.00 62.34 H new ATOM 0 HB ILE A 30 15.862 2.053 2.704 1.00 35.42 H new ATOM 0 HG12 ILE A 30 14.093 1.466 0.293 1.00 74.24 H new ATOM 0 HG13 ILE A 30 13.516 2.238 1.756 1.00 74.24 H new ATOM 0 HG21 ILE A 30 17.074 1.879 0.574 1.00 34.53 H new ATOM 0 HG22 ILE A 30 17.439 0.513 1.655 1.00 34.53 H new ATOM 0 HG23 ILE A 30 16.331 0.289 0.281 1.00 34.53 H new ATOM 0 HD11 ILE A 30 13.995 3.893 0.022 1.00 51.43 H new ATOM 0 HD12 ILE A 30 15.091 4.107 1.407 1.00 51.43 H new ATOM 0 HD13 ILE A 30 15.677 3.322 -0.078 1.00 51.43 H new ATOM 504 N GLN A 31 15.992 -1.895 3.429 1.00 2.04 N ATOM 505 CA GLN A 31 17.002 -2.675 4.156 1.00 65.51 C ATOM 506 C GLN A 31 18.348 -2.664 3.410 1.00 70.53 C ATOM 507 O GLN A 31 18.436 -3.103 2.262 1.00 75.34 O ATOM 508 CB GLN A 31 16.499 -4.113 4.363 1.00 31.50 C ATOM 509 CG GLN A 31 17.450 -5.008 5.153 1.00 24.32 C ATOM 510 CD GLN A 31 16.819 -6.339 5.534 1.00 33.12 C ATOM 511 OE1 GLN A 31 15.948 -6.851 4.838 1.00 12.45 O ATOM 512 NE2 GLN A 31 17.249 -6.905 6.644 1.00 62.52 N ATOM 0 H GLN A 31 15.340 -2.458 2.883 1.00 2.04 H new ATOM 0 HA GLN A 31 17.164 -2.217 5.132 1.00 65.51 H new ATOM 0 HB2 GLN A 31 15.540 -4.078 4.879 1.00 31.50 H new ATOM 0 HB3 GLN A 31 16.320 -4.566 3.388 1.00 31.50 H new ATOM 0 HG2 GLN A 31 18.347 -5.191 4.561 1.00 24.32 H new ATOM 0 HG3 GLN A 31 17.766 -4.488 6.057 1.00 24.32 H new ATOM 0 HE21 GLN A 31 17.975 -6.452 7.199 1.00 62.52 H new ATOM 0 HE22 GLN A 31 16.856 -7.796 6.948 1.00 62.52 H new ATOM 521 N ASN A 32 19.394 -2.167 4.072 1.00 63.12 N ATOM 522 CA ASN A 32 20.707 -1.985 3.438 1.00 75.21 C ATOM 523 C ASN A 32 21.376 -3.322 3.084 1.00 34.05 C ATOM 524 O ASN A 32 21.128 -4.347 3.723 1.00 32.02 O ATOM 525 CB ASN A 32 21.641 -1.187 4.360 1.00 1.04 C ATOM 526 CG ASN A 32 21.116 0.199 4.690 1.00 14.21 C ATOM 527 OD1 ASN A 32 20.389 0.808 3.911 1.00 30.20 O ATOM 528 ND2 ASN A 32 21.490 0.716 5.843 1.00 22.21 N ATOM 0 H ASN A 32 19.360 -1.881 5.051 1.00 63.12 H new ATOM 0 HA ASN A 32 20.534 -1.437 2.512 1.00 75.21 H new ATOM 0 HB2 ASN A 32 21.788 -1.743 5.286 1.00 1.04 H new ATOM 0 HB3 ASN A 32 22.618 -1.095 3.885 1.00 1.04 H new ATOM 0 HD21 ASN A 32 21.174 1.648 6.110 1.00 22.21 H new ATOM 0 HD22 ASN A 32 22.095 0.184 6.468 1.00 22.21 H new ATOM 535 N GLU A 33 22.238 -3.289 2.067 1.00 61.14 N ATOM 536 CA GLU A 33 23.047 -4.452 1.674 1.00 33.42 C ATOM 537 C GLU A 33 23.914 -4.933 2.849 1.00 31.01 C ATOM 538 O GLU A 33 24.206 -6.122 2.991 1.00 52.52 O ATOM 539 CB GLU A 33 23.964 -4.073 0.501 1.00 54.35 C ATOM 540 CG GLU A 33 24.994 -3.011 0.873 1.00 15.21 C ATOM 541 CD GLU A 33 25.948 -2.667 -0.253 1.00 53.52 C ATOM 542 OE1 GLU A 33 26.860 -3.470 -0.530 1.00 41.20 O ATOM 543 OE2 GLU A 33 25.802 -1.578 -0.848 1.00 61.13 O ATOM 0 H GLU A 33 22.397 -2.461 1.493 1.00 61.14 H new ATOM 0 HA GLU A 33 22.371 -5.254 1.377 1.00 33.42 H new ATOM 0 HB2 GLU A 33 24.481 -4.965 0.147 1.00 54.35 H new ATOM 0 HB3 GLU A 33 23.355 -3.708 -0.326 1.00 54.35 H new ATOM 0 HG2 GLU A 33 24.473 -2.106 1.185 1.00 15.21 H new ATOM 0 HG3 GLU A 33 25.569 -3.360 1.731 1.00 15.21 H new ATOM 550 N ASP A 34 24.327 -3.976 3.679 1.00 33.12 N ATOM 551 CA ASP A 34 25.180 -4.237 4.839 1.00 62.11 C ATOM 552 C ASP A 34 24.529 -5.220 5.822 1.00 51.22 C ATOM 553 O ASP A 34 25.221 -5.946 6.542 1.00 42.21 O ATOM 554 CB ASP A 34 25.484 -2.914 5.549 1.00 32.52 C ATOM 555 CG ASP A 34 26.103 -1.881 4.618 1.00 45.14 C ATOM 556 OD1 ASP A 34 25.376 -1.332 3.764 1.00 13.13 O ATOM 557 OD2 ASP A 34 27.316 -1.610 4.741 1.00 20.33 O ATOM 0 H ASP A 34 24.078 -2.993 3.566 1.00 33.12 H new ATOM 0 HA ASP A 34 26.103 -4.695 4.484 1.00 62.11 H new ATOM 0 HB2 ASP A 34 24.563 -2.512 5.971 1.00 32.52 H new ATOM 0 HB3 ASP A 34 26.162 -3.100 6.382 1.00 32.52 H new ATOM 562 N GLY A 35 23.197 -5.246 5.843 1.00 54.32 N ATOM 563 CA GLY A 35 22.467 -6.111 6.768 1.00 54.44 C ATOM 564 C GLY A 35 21.442 -5.349 7.604 1.00 73.44 C ATOM 565 O GLY A 35 20.321 -5.819 7.813 1.00 54.24 O ATOM 0 H GLY A 35 22.605 -4.682 5.234 1.00 54.32 H new ATOM 0 HA2 GLY A 35 21.960 -6.893 6.203 1.00 54.44 H new ATOM 0 HA3 GLY A 35 23.176 -6.606 7.432 1.00 54.44 H new ATOM 569 N SER A 36 21.830 -4.167 8.087 1.00 74.14 N ATOM 570 CA SER A 36 20.929 -3.312 8.877 1.00 31.11 C ATOM 571 C SER A 36 19.896 -2.604 7.990 1.00 41.21 C ATOM 572 O SER A 36 20.145 -2.337 6.813 1.00 60.43 O ATOM 573 CB SER A 36 21.735 -2.269 9.665 1.00 43.20 C ATOM 574 OG SER A 36 22.588 -2.886 10.619 1.00 72.33 O ATOM 0 H SER A 36 22.762 -3.776 7.947 1.00 74.14 H new ATOM 0 HA SER A 36 20.393 -3.959 9.572 1.00 31.11 H new ATOM 0 HB2 SER A 36 22.330 -1.670 8.976 1.00 43.20 H new ATOM 0 HB3 SER A 36 21.053 -1.587 10.172 1.00 43.20 H new ATOM 0 HG SER A 36 23.089 -2.197 11.104 1.00 72.33 H new ATOM 580 N VAL A 37 18.736 -2.305 8.559 1.00 71.54 N ATOM 581 CA VAL A 37 17.656 -1.637 7.828 1.00 50.34 C ATOM 582 C VAL A 37 17.790 -0.106 7.903 1.00 14.34 C ATOM 583 O VAL A 37 18.094 0.447 8.958 1.00 42.35 O ATOM 584 CB VAL A 37 16.271 -2.052 8.387 1.00 3.52 C ATOM 585 CG1 VAL A 37 15.141 -1.467 7.541 1.00 70.03 C ATOM 586 CG2 VAL A 37 16.159 -3.574 8.472 1.00 72.11 C ATOM 0 H VAL A 37 18.513 -2.515 9.532 1.00 71.54 H new ATOM 0 HA VAL A 37 17.735 -1.948 6.786 1.00 50.34 H new ATOM 0 HB VAL A 37 16.176 -1.647 9.395 1.00 3.52 H new ATOM 0 HG11 VAL A 37 14.180 -1.774 7.955 1.00 70.03 H new ATOM 0 HG12 VAL A 37 15.208 -0.379 7.547 1.00 70.03 H new ATOM 0 HG13 VAL A 37 15.227 -1.831 6.517 1.00 70.03 H new ATOM 0 HG21 VAL A 37 15.180 -3.845 8.867 1.00 72.11 H new ATOM 0 HG22 VAL A 37 16.281 -4.004 7.478 1.00 72.11 H new ATOM 0 HG23 VAL A 37 16.936 -3.960 9.132 1.00 72.11 H new ATOM 596 N SER A 38 17.579 0.572 6.777 1.00 43.24 N ATOM 597 CA SER A 38 17.568 2.044 6.750 1.00 24.34 C ATOM 598 C SER A 38 16.183 2.578 7.127 1.00 40.45 C ATOM 599 O SER A 38 15.168 1.933 6.868 1.00 33.12 O ATOM 600 CB SER A 38 17.961 2.570 5.363 1.00 63.43 C ATOM 601 OG SER A 38 17.998 3.992 5.340 1.00 12.15 O ATOM 0 H SER A 38 17.413 0.133 5.871 1.00 43.24 H new ATOM 0 HA SER A 38 18.298 2.395 7.479 1.00 24.34 H new ATOM 0 HB2 SER A 38 18.938 2.174 5.085 1.00 63.43 H new ATOM 0 HB3 SER A 38 17.249 2.211 4.620 1.00 63.43 H new ATOM 0 HG SER A 38 18.253 4.298 4.445 1.00 12.15 H new ATOM 607 N ASP A 39 16.137 3.762 7.734 1.00 14.23 N ATOM 608 CA ASP A 39 14.867 4.346 8.186 1.00 12.12 C ATOM 609 C ASP A 39 14.014 4.858 7.012 1.00 22.15 C ATOM 610 O ASP A 39 12.820 5.120 7.177 1.00 33.04 O ATOM 611 CB ASP A 39 15.128 5.468 9.200 1.00 33.53 C ATOM 612 CG ASP A 39 16.019 6.564 8.647 1.00 2.23 C ATOM 613 OD1 ASP A 39 17.171 6.264 8.278 1.00 32.30 O ATOM 614 OD2 ASP A 39 15.586 7.734 8.607 1.00 22.12 O ATOM 0 H ASP A 39 16.958 4.337 7.926 1.00 14.23 H new ATOM 0 HA ASP A 39 14.297 3.555 8.673 1.00 12.12 H new ATOM 0 HB2 ASP A 39 14.177 5.901 9.509 1.00 33.53 H new ATOM 0 HB3 ASP A 39 15.591 5.045 10.092 1.00 33.53 H new ATOM 619 N GLU A 40 14.626 4.993 5.835 1.00 64.14 N ATOM 620 CA GLU A 40 13.895 5.404 4.628 1.00 23.13 C ATOM 621 C GLU A 40 12.844 4.358 4.228 1.00 20.11 C ATOM 622 O GLU A 40 13.080 3.152 4.328 1.00 4.24 O ATOM 623 CB GLU A 40 14.854 5.627 3.449 1.00 32.42 C ATOM 624 CG GLU A 40 15.873 6.743 3.656 1.00 44.34 C ATOM 625 CD GLU A 40 16.647 7.072 2.385 1.00 52.45 C ATOM 626 OE1 GLU A 40 17.641 6.376 2.084 1.00 42.32 O ATOM 627 OE2 GLU A 40 16.255 8.022 1.672 1.00 50.11 O ATOM 0 H GLU A 40 15.621 4.825 5.688 1.00 64.14 H new ATOM 0 HA GLU A 40 13.392 6.341 4.866 1.00 23.13 H new ATOM 0 HB2 GLU A 40 15.389 4.698 3.253 1.00 32.42 H new ATOM 0 HB3 GLU A 40 14.267 5.851 2.558 1.00 32.42 H new ATOM 0 HG2 GLU A 40 15.360 7.638 4.007 1.00 44.34 H new ATOM 0 HG3 GLU A 40 16.573 6.450 4.438 1.00 44.34 H new ATOM 634 N ILE A 41 11.692 4.825 3.755 1.00 21.03 N ATOM 635 CA ILE A 41 10.595 3.939 3.357 1.00 12.22 C ATOM 636 C ILE A 41 10.561 3.769 1.831 1.00 5.02 C ATOM 637 O ILE A 41 10.766 4.727 1.087 1.00 62.34 O ATOM 638 CB ILE A 41 9.222 4.480 3.847 1.00 73.42 C ATOM 639 CG1 ILE A 41 9.274 4.785 5.355 1.00 75.11 C ATOM 640 CG2 ILE A 41 8.110 3.476 3.540 1.00 30.22 C ATOM 641 CD1 ILE A 41 7.984 5.349 5.918 1.00 21.12 C ATOM 0 H ILE A 41 11.490 5.818 3.636 1.00 21.03 H new ATOM 0 HA ILE A 41 10.775 2.971 3.825 1.00 12.22 H new ATOM 0 HB ILE A 41 9.004 5.406 3.315 1.00 73.42 H new ATOM 0 HG12 ILE A 41 9.522 3.869 5.892 1.00 75.11 H new ATOM 0 HG13 ILE A 41 10.081 5.494 5.544 1.00 75.11 H new ATOM 0 HG21 ILE A 41 7.156 3.871 3.890 1.00 30.22 H new ATOM 0 HG22 ILE A 41 8.060 3.306 2.464 1.00 30.22 H new ATOM 0 HG23 ILE A 41 8.320 2.534 4.047 1.00 30.22 H new ATOM 0 HD11 ILE A 41 8.104 5.536 6.985 1.00 21.12 H new ATOM 0 HD12 ILE A 41 7.743 6.283 5.410 1.00 21.12 H new ATOM 0 HD13 ILE A 41 7.176 4.634 5.764 1.00 21.12 H new ATOM 653 N LYS A 42 10.312 2.547 1.365 1.00 51.21 N ATOM 654 CA LYS A 42 10.263 2.270 -0.076 1.00 72.12 C ATOM 655 C LYS A 42 8.820 2.343 -0.606 1.00 14.44 C ATOM 656 O LYS A 42 8.517 3.131 -1.506 1.00 74.13 O ATOM 657 CB LYS A 42 10.864 0.887 -0.371 1.00 52.24 C ATOM 658 CG LYS A 42 11.160 0.643 -1.851 1.00 62.22 C ATOM 659 CD LYS A 42 12.212 1.619 -2.380 1.00 14.42 C ATOM 660 CE LYS A 42 12.630 1.296 -3.812 1.00 3.52 C ATOM 661 NZ LYS A 42 11.515 1.450 -4.780 1.00 15.00 N ATOM 0 H LYS A 42 10.141 1.734 1.957 1.00 51.21 H new ATOM 0 HA LYS A 42 10.852 3.032 -0.587 1.00 72.12 H new ATOM 0 HB2 LYS A 42 11.787 0.774 0.197 1.00 52.24 H new ATOM 0 HB3 LYS A 42 10.176 0.120 -0.017 1.00 52.24 H new ATOM 0 HG2 LYS A 42 11.509 -0.380 -1.990 1.00 62.22 H new ATOM 0 HG3 LYS A 42 10.242 0.748 -2.429 1.00 62.22 H new ATOM 0 HD2 LYS A 42 11.817 2.634 -2.339 1.00 14.42 H new ATOM 0 HD3 LYS A 42 13.088 1.592 -1.733 1.00 14.42 H new ATOM 0 HE2 LYS A 42 13.452 1.950 -4.103 1.00 3.52 H new ATOM 0 HE3 LYS A 42 13.005 0.274 -3.855 1.00 3.52 H new ATOM 0 HZ1 LYS A 42 11.860 1.252 -5.741 1.00 15.00 H new ATOM 0 HZ2 LYS A 42 10.753 0.783 -4.541 1.00 15.00 H new ATOM 0 HZ3 LYS A 42 11.150 2.423 -4.737 1.00 15.00 H new ATOM 675 N GLU A 43 7.935 1.519 -0.039 1.00 32.43 N ATOM 676 CA GLU A 43 6.511 1.507 -0.409 1.00 64.44 C ATOM 677 C GLU A 43 5.607 1.350 0.829 1.00 73.11 C ATOM 678 O GLU A 43 6.046 0.890 1.884 1.00 70.12 O ATOM 679 CB GLU A 43 6.224 0.376 -1.416 1.00 63.11 C ATOM 680 CG GLU A 43 7.027 0.495 -2.705 1.00 23.14 C ATOM 681 CD GLU A 43 6.614 -0.516 -3.767 1.00 2.44 C ATOM 682 OE1 GLU A 43 5.453 -0.469 -4.226 1.00 20.05 O ATOM 683 OE2 GLU A 43 7.460 -1.346 -4.172 1.00 70.21 O ATOM 0 H GLU A 43 8.180 0.844 0.685 1.00 32.43 H new ATOM 0 HA GLU A 43 6.285 2.466 -0.874 1.00 64.44 H new ATOM 0 HB2 GLU A 43 6.444 -0.583 -0.947 1.00 63.11 H new ATOM 0 HB3 GLU A 43 5.161 0.376 -1.658 1.00 63.11 H new ATOM 0 HG2 GLU A 43 6.910 1.502 -3.106 1.00 23.14 H new ATOM 0 HG3 GLU A 43 8.085 0.363 -2.479 1.00 23.14 H new ATOM 690 N ARG A 44 4.343 1.743 0.689 1.00 1.11 N ATOM 691 CA ARG A 44 3.367 1.644 1.781 1.00 0.44 C ATOM 692 C ARG A 44 2.241 0.659 1.416 1.00 41.43 C ATOM 693 O ARG A 44 1.494 0.886 0.465 1.00 3.11 O ATOM 694 CB ARG A 44 2.765 3.026 2.087 1.00 2.12 C ATOM 695 CG ARG A 44 3.795 4.150 2.176 1.00 61.23 C ATOM 696 CD ARG A 44 3.152 5.482 2.553 1.00 53.11 C ATOM 697 NE ARG A 44 4.043 6.617 2.308 1.00 5.14 N ATOM 698 CZ ARG A 44 4.552 7.377 3.242 1.00 51.35 C ATOM 699 NH1 ARG A 44 4.365 7.104 4.491 1.00 41.02 N ATOM 700 NH2 ARG A 44 5.268 8.399 2.913 1.00 62.52 N ATOM 0 H ARG A 44 3.965 2.136 -0.173 1.00 1.11 H new ATOM 0 HA ARG A 44 3.885 1.275 2.666 1.00 0.44 H new ATOM 0 HB2 ARG A 44 2.039 3.274 1.312 1.00 2.12 H new ATOM 0 HB3 ARG A 44 2.220 2.972 3.029 1.00 2.12 H new ATOM 0 HG2 ARG A 44 4.553 3.890 2.915 1.00 61.23 H new ATOM 0 HG3 ARG A 44 4.306 4.251 1.218 1.00 61.23 H new ATOM 0 HD2 ARG A 44 2.233 5.614 1.982 1.00 53.11 H new ATOM 0 HD3 ARG A 44 2.872 5.463 3.606 1.00 53.11 H new ATOM 0 HE ARG A 44 4.284 6.830 1.340 1.00 5.14 H new ATOM 0 HH11 ARG A 44 3.815 6.288 4.758 1.00 41.02 H new ATOM 0 HH12 ARG A 44 4.768 7.705 5.210 1.00 41.02 H new ATOM 0 HH21 ARG A 44 5.434 8.610 1.929 1.00 62.52 H new ATOM 0 HH22 ARG A 44 5.668 8.996 3.637 1.00 62.52 H new ATOM 714 N THR A 45 2.127 -0.427 2.175 1.00 44.33 N ATOM 715 CA THR A 45 1.100 -1.451 1.928 1.00 12.23 C ATOM 716 C THR A 45 -0.178 -1.182 2.743 1.00 42.34 C ATOM 717 O THR A 45 -0.117 -0.985 3.956 1.00 33.33 O ATOM 718 CB THR A 45 1.619 -2.866 2.284 1.00 25.05 C ATOM 719 OG1 THR A 45 2.856 -3.132 1.605 1.00 12.54 O ATOM 720 CG2 THR A 45 0.595 -3.935 1.914 1.00 23.03 C ATOM 0 H THR A 45 2.733 -0.627 2.971 1.00 44.33 H new ATOM 0 HA THR A 45 0.867 -1.402 0.864 1.00 12.23 H new ATOM 0 HB THR A 45 1.784 -2.898 3.361 1.00 25.05 H new ATOM 0 HG1 THR A 45 2.701 -3.147 0.637 1.00 12.54 H new ATOM 0 HG21 THR A 45 0.985 -4.919 2.175 1.00 23.03 H new ATOM 0 HG22 THR A 45 -0.331 -3.756 2.460 1.00 23.03 H new ATOM 0 HG23 THR A 45 0.398 -3.895 0.843 1.00 23.03 H new ATOM 728 N TYR A 46 -1.329 -1.186 2.069 1.00 43.34 N ATOM 729 CA TYR A 46 -2.631 -0.978 2.720 1.00 35.11 C ATOM 730 C TYR A 46 -3.531 -2.220 2.588 1.00 60.33 C ATOM 731 O TYR A 46 -3.368 -3.022 1.665 1.00 40.11 O ATOM 732 CB TYR A 46 -3.359 0.220 2.094 1.00 43.31 C ATOM 733 CG TYR A 46 -2.544 1.501 2.040 1.00 23.50 C ATOM 734 CD1 TYR A 46 -1.741 1.782 0.943 1.00 54.14 C ATOM 735 CD2 TYR A 46 -2.596 2.436 3.070 1.00 54.22 C ATOM 736 CE1 TYR A 46 -1.015 2.953 0.871 1.00 33.43 C ATOM 737 CE2 TYR A 46 -1.866 3.608 3.006 1.00 15.25 C ATOM 738 CZ TYR A 46 -1.078 3.862 1.903 1.00 15.31 C ATOM 739 OH TYR A 46 -0.364 5.039 1.822 1.00 72.42 O ATOM 0 H TYR A 46 -1.389 -1.332 1.061 1.00 43.34 H new ATOM 0 HA TYR A 46 -2.436 -0.789 3.775 1.00 35.11 H new ATOM 0 HB2 TYR A 46 -3.661 -0.045 1.081 1.00 43.31 H new ATOM 0 HB3 TYR A 46 -4.271 0.409 2.660 1.00 43.31 H new ATOM 0 HD1 TYR A 46 -1.684 1.071 0.132 1.00 54.14 H new ATOM 0 HD2 TYR A 46 -3.216 2.243 3.933 1.00 54.22 H new ATOM 0 HE1 TYR A 46 -0.399 3.156 0.007 1.00 33.43 H new ATOM 0 HE2 TYR A 46 -1.912 4.321 3.816 1.00 15.25 H new ATOM 0 HH TYR A 46 0.345 4.946 1.152 1.00 72.42 H new ATOM 749 N ASP A 47 -4.488 -2.351 3.503 1.00 73.22 N ATOM 750 CA ASP A 47 -5.475 -3.437 3.457 1.00 10.40 C ATOM 751 C ASP A 47 -6.813 -2.945 2.871 1.00 75.33 C ATOM 752 O ASP A 47 -7.504 -2.115 3.474 1.00 24.34 O ATOM 753 CB ASP A 47 -5.698 -4.000 4.868 1.00 44.24 C ATOM 754 CG ASP A 47 -4.480 -4.733 5.408 1.00 35.33 C ATOM 755 OD1 ASP A 47 -3.968 -5.642 4.718 1.00 51.43 O ATOM 756 OD2 ASP A 47 -4.022 -4.401 6.522 1.00 52.32 O ATOM 0 H ASP A 47 -4.605 -1.716 4.292 1.00 73.22 H new ATOM 0 HA ASP A 47 -5.088 -4.223 2.809 1.00 10.40 H new ATOM 0 HB2 ASP A 47 -5.955 -3.184 5.544 1.00 44.24 H new ATOM 0 HB3 ASP A 47 -6.549 -4.681 4.853 1.00 44.24 H new ATOM 761 N LEU A 48 -7.171 -3.445 1.684 1.00 64.40 N ATOM 762 CA LEU A 48 -8.451 -3.096 1.043 1.00 3.41 C ATOM 763 C LEU A 48 -9.361 -4.331 0.933 1.00 74.54 C ATOM 764 O LEU A 48 -8.873 -5.450 0.802 1.00 13.23 O ATOM 765 CB LEU A 48 -8.215 -2.518 -0.366 1.00 64.15 C ATOM 766 CG LEU A 48 -7.189 -1.377 -0.472 1.00 31.33 C ATOM 767 CD1 LEU A 48 -7.104 -0.872 -1.910 1.00 1.01 C ATOM 768 CD2 LEU A 48 -7.532 -0.234 0.480 1.00 2.43 C ATOM 0 H LEU A 48 -6.596 -4.092 1.145 1.00 64.40 H new ATOM 0 HA LEU A 48 -8.937 -2.345 1.665 1.00 3.41 H new ATOM 0 HB2 LEU A 48 -7.893 -3.329 -1.019 1.00 64.15 H new ATOM 0 HB3 LEU A 48 -9.169 -2.158 -0.752 1.00 64.15 H new ATOM 0 HG LEU A 48 -6.215 -1.770 -0.181 1.00 31.33 H new ATOM 0 HD11 LEU A 48 -6.374 -0.065 -1.970 1.00 1.01 H new ATOM 0 HD12 LEU A 48 -6.797 -1.688 -2.565 1.00 1.01 H new ATOM 0 HD13 LEU A 48 -8.080 -0.502 -2.224 1.00 1.01 H new ATOM 0 HD21 LEU A 48 -6.788 0.557 0.382 1.00 2.43 H new ATOM 0 HD22 LEU A 48 -8.517 0.162 0.234 1.00 2.43 H new ATOM 0 HD23 LEU A 48 -7.535 -0.603 1.506 1.00 2.43 H new ATOM 780 N LYS A 49 -10.680 -4.136 0.990 1.00 73.42 N ATOM 781 CA LYS A 49 -11.628 -5.239 0.745 1.00 25.21 C ATOM 782 C LYS A 49 -12.262 -5.135 -0.646 1.00 71.42 C ATOM 783 O LYS A 49 -12.579 -4.040 -1.116 1.00 65.51 O ATOM 784 CB LYS A 49 -12.748 -5.294 1.802 1.00 64.33 C ATOM 785 CG LYS A 49 -12.325 -5.892 3.144 1.00 2.41 C ATOM 786 CD LYS A 49 -11.754 -4.856 4.105 1.00 2.44 C ATOM 787 CE LYS A 49 -12.840 -3.927 4.660 1.00 45.31 C ATOM 788 NZ LYS A 49 -13.316 -2.932 3.660 1.00 1.42 N ATOM 0 H LYS A 49 -11.118 -3.239 1.200 1.00 73.42 H new ATOM 0 HA LYS A 49 -11.043 -6.156 0.811 1.00 25.21 H new ATOM 0 HB2 LYS A 49 -13.121 -4.284 1.970 1.00 64.33 H new ATOM 0 HB3 LYS A 49 -13.578 -5.878 1.404 1.00 64.33 H new ATOM 0 HG2 LYS A 49 -13.185 -6.374 3.608 1.00 2.41 H new ATOM 0 HG3 LYS A 49 -11.580 -6.668 2.971 1.00 2.41 H new ATOM 0 HD2 LYS A 49 -11.255 -5.364 4.930 1.00 2.44 H new ATOM 0 HD3 LYS A 49 -10.998 -4.263 3.591 1.00 2.44 H new ATOM 0 HE2 LYS A 49 -13.685 -4.526 5.000 1.00 45.31 H new ATOM 0 HE3 LYS A 49 -12.451 -3.401 5.532 1.00 45.31 H new ATOM 0 HZ1 LYS A 49 -13.760 -2.130 4.152 1.00 1.42 H new ATOM 0 HZ2 LYS A 49 -12.510 -2.591 3.099 1.00 1.42 H new ATOM 0 HZ3 LYS A 49 -14.012 -3.379 3.029 1.00 1.42 H new ATOM 802 N SER A 50 -12.447 -6.284 -1.292 1.00 1.12 N ATOM 803 CA SER A 50 -13.110 -6.348 -2.601 1.00 23.41 C ATOM 804 C SER A 50 -14.612 -6.619 -2.437 1.00 72.23 C ATOM 805 O SER A 50 -15.011 -7.670 -1.931 1.00 0.31 O ATOM 806 CB SER A 50 -12.478 -7.446 -3.472 1.00 21.21 C ATOM 807 OG SER A 50 -12.580 -8.725 -2.858 1.00 32.11 O ATOM 0 H SER A 50 -12.147 -7.190 -0.932 1.00 1.12 H new ATOM 0 HA SER A 50 -12.978 -5.384 -3.092 1.00 23.41 H new ATOM 0 HB2 SER A 50 -12.970 -7.468 -4.444 1.00 21.21 H new ATOM 0 HB3 SER A 50 -11.429 -7.210 -3.651 1.00 21.21 H new ATOM 0 HG SER A 50 -11.998 -8.757 -2.070 1.00 32.11 H new ATOM 866 N ARG A 55 -13.203 -10.461 -0.141 1.00 42.44 N ATOM 867 CA ARG A 55 -11.982 -10.685 0.653 1.00 73.33 C ATOM 868 C ARG A 55 -10.937 -9.578 0.440 1.00 60.05 C ATOM 869 O ARG A 55 -11.051 -8.767 -0.482 1.00 54.14 O ATOM 870 CB ARG A 55 -11.380 -12.070 0.370 1.00 73.44 C ATOM 871 CG ARG A 55 -11.092 -12.363 -1.100 1.00 5.23 C ATOM 872 CD ARG A 55 -10.451 -13.739 -1.270 1.00 51.42 C ATOM 873 NE ARG A 55 -10.237 -14.089 -2.675 1.00 65.43 N ATOM 874 CZ ARG A 55 -9.257 -14.838 -3.105 1.00 30.44 C ATOM 875 NH1 ARG A 55 -8.380 -15.318 -2.283 1.00 72.31 N ATOM 876 NH2 ARG A 55 -9.165 -15.113 -4.361 1.00 44.20 N ATOM 0 HA ARG A 55 -12.278 -10.649 1.701 1.00 73.33 H new ATOM 0 HB2 ARG A 55 -10.451 -12.167 0.932 1.00 73.44 H new ATOM 0 HB3 ARG A 55 -12.063 -12.830 0.749 1.00 73.44 H new ATOM 0 HG2 ARG A 55 -12.019 -12.317 -1.672 1.00 5.23 H new ATOM 0 HG3 ARG A 55 -10.430 -11.597 -1.504 1.00 5.23 H new ATOM 0 HD2 ARG A 55 -9.496 -13.759 -0.745 1.00 51.42 H new ATOM 0 HD3 ARG A 55 -11.087 -14.492 -0.804 1.00 51.42 H new ATOM 0 HE ARG A 55 -10.896 -13.724 -3.363 1.00 65.43 H new ATOM 0 HH11 ARG A 55 -8.449 -15.113 -1.286 1.00 72.31 H new ATOM 0 HH12 ARG A 55 -7.620 -15.902 -2.632 1.00 72.31 H new ATOM 0 HH21 ARG A 55 -9.856 -14.746 -5.015 1.00 44.20 H new ATOM 0 HH22 ARG A 55 -8.401 -15.698 -4.700 1.00 44.20 H new ATOM 890 N MET A 56 -9.923 -9.559 1.310 1.00 73.33 N ATOM 891 CA MET A 56 -8.922 -8.482 1.338 1.00 61.43 C ATOM 892 C MET A 56 -7.846 -8.622 0.247 1.00 11.44 C ATOM 893 O MET A 56 -7.602 -9.709 -0.284 1.00 4.40 O ATOM 894 CB MET A 56 -8.235 -8.434 2.713 1.00 54.12 C ATOM 895 CG MET A 56 -9.186 -8.219 3.884 1.00 0.21 C ATOM 896 SD MET A 56 -10.386 -9.558 4.052 1.00 72.23 S ATOM 897 CE MET A 56 -11.263 -9.048 5.529 1.00 35.44 C ATOM 0 H MET A 56 -9.771 -10.284 2.012 1.00 73.33 H new ATOM 0 HA MET A 56 -9.465 -7.557 1.144 1.00 61.43 H new ATOM 0 HB2 MET A 56 -7.693 -9.367 2.868 1.00 54.12 H new ATOM 0 HB3 MET A 56 -7.496 -7.633 2.709 1.00 54.12 H new ATOM 0 HG2 MET A 56 -8.610 -8.134 4.805 1.00 0.21 H new ATOM 0 HG3 MET A 56 -9.715 -7.275 3.750 1.00 0.21 H new ATOM 0 HE1 MET A 56 -12.039 -9.777 5.762 1.00 35.44 H new ATOM 0 HE2 MET A 56 -10.564 -8.983 6.363 1.00 35.44 H new ATOM 0 HE3 MET A 56 -11.720 -8.073 5.362 1.00 35.44 H new ATOM 907 N ILE A 57 -7.215 -7.491 -0.071 1.00 43.25 N ATOM 908 CA ILE A 57 -6.065 -7.428 -0.983 1.00 12.25 C ATOM 909 C ILE A 57 -5.053 -6.387 -0.467 1.00 63.10 C ATOM 910 O ILE A 57 -5.443 -5.290 -0.053 1.00 43.24 O ATOM 911 CB ILE A 57 -6.494 -7.047 -2.433 1.00 22.40 C ATOM 912 CG1 ILE A 57 -7.213 -5.685 -2.450 1.00 52.34 C ATOM 913 CG2 ILE A 57 -7.384 -8.131 -3.040 1.00 23.02 C ATOM 914 CD1 ILE A 57 -7.629 -5.221 -3.831 1.00 64.14 C ATOM 0 H ILE A 57 -7.489 -6.581 0.300 1.00 43.25 H new ATOM 0 HA ILE A 57 -5.612 -8.419 -1.012 1.00 12.25 H new ATOM 0 HB ILE A 57 -5.593 -6.966 -3.040 1.00 22.40 H new ATOM 0 HG12 ILE A 57 -8.098 -5.746 -1.817 1.00 52.34 H new ATOM 0 HG13 ILE A 57 -6.557 -4.935 -2.009 1.00 52.34 H new ATOM 0 HG21 ILE A 57 -7.670 -7.843 -4.051 1.00 23.02 H new ATOM 0 HG22 ILE A 57 -6.838 -9.074 -3.072 1.00 23.02 H new ATOM 0 HG23 ILE A 57 -8.279 -8.251 -2.430 1.00 23.02 H new ATOM 0 HD11 ILE A 57 -8.128 -4.255 -3.755 1.00 64.14 H new ATOM 0 HD12 ILE A 57 -6.747 -5.125 -4.464 1.00 64.14 H new ATOM 0 HD13 ILE A 57 -8.312 -5.949 -4.269 1.00 64.14 H new ATOM 926 N GLN A 58 -3.761 -6.723 -0.465 1.00 44.21 N ATOM 927 CA GLN A 58 -2.744 -5.795 0.043 1.00 55.44 C ATOM 928 C GLN A 58 -2.151 -4.937 -1.082 1.00 12.32 C ATOM 929 O GLN A 58 -1.319 -5.396 -1.860 1.00 11.21 O ATOM 930 CB GLN A 58 -1.631 -6.559 0.781 1.00 2.10 C ATOM 931 CG GLN A 58 -2.057 -7.102 2.145 1.00 72.54 C ATOM 932 CD GLN A 58 -3.142 -8.163 2.056 1.00 12.31 C ATOM 933 OE1 GLN A 58 -3.200 -8.936 1.112 1.00 4.30 O ATOM 934 NE2 GLN A 58 -4.031 -8.182 3.026 1.00 31.34 N ATOM 0 H GLN A 58 -3.397 -7.614 -0.803 1.00 44.21 H new ATOM 0 HA GLN A 58 -3.235 -5.125 0.749 1.00 55.44 H new ATOM 0 HB2 GLN A 58 -1.298 -7.389 0.158 1.00 2.10 H new ATOM 0 HB3 GLN A 58 -0.775 -5.897 0.915 1.00 2.10 H new ATOM 0 HG2 GLN A 58 -1.187 -7.523 2.649 1.00 72.54 H new ATOM 0 HG3 GLN A 58 -2.414 -6.277 2.762 1.00 72.54 H new ATOM 0 HE21 GLN A 58 -3.955 -7.523 3.801 1.00 31.34 H new ATOM 0 HE22 GLN A 58 -4.796 -8.856 3.003 1.00 31.34 H new ATOM 943 N VAL A 59 -2.563 -3.676 -1.142 1.00 34.31 N ATOM 944 CA VAL A 59 -2.113 -2.755 -2.194 1.00 12.23 C ATOM 945 C VAL A 59 -0.945 -1.882 -1.713 1.00 51.20 C ATOM 946 O VAL A 59 -1.017 -1.268 -0.654 1.00 41.12 O ATOM 947 CB VAL A 59 -3.276 -1.851 -2.678 1.00 24.40 C ATOM 948 CG1 VAL A 59 -2.798 -0.850 -3.730 1.00 54.10 C ATOM 949 CG2 VAL A 59 -4.417 -2.709 -3.226 1.00 21.32 C ATOM 0 H VAL A 59 -3.212 -3.261 -0.473 1.00 34.31 H new ATOM 0 HA VAL A 59 -1.769 -3.365 -3.029 1.00 12.23 H new ATOM 0 HB VAL A 59 -3.644 -1.282 -1.824 1.00 24.40 H new ATOM 0 HG11 VAL A 59 -3.636 -0.230 -4.050 1.00 54.10 H new ATOM 0 HG12 VAL A 59 -2.021 -0.217 -3.303 1.00 54.10 H new ATOM 0 HG13 VAL A 59 -2.396 -1.388 -4.588 1.00 54.10 H new ATOM 0 HG21 VAL A 59 -5.228 -2.064 -3.563 1.00 21.32 H new ATOM 0 HG22 VAL A 59 -4.055 -3.304 -4.064 1.00 21.32 H new ATOM 0 HG23 VAL A 59 -4.783 -3.372 -2.442 1.00 21.32 H new ATOM 959 N SER A 60 0.124 -1.823 -2.502 1.00 43.11 N ATOM 960 CA SER A 60 1.341 -1.090 -2.116 1.00 43.22 C ATOM 961 C SER A 60 1.652 0.040 -3.105 1.00 33.12 C ATOM 962 O SER A 60 1.679 -0.175 -4.314 1.00 30.40 O ATOM 963 CB SER A 60 2.535 -2.054 -2.041 1.00 2.32 C ATOM 964 OG SER A 60 2.260 -3.141 -1.167 1.00 71.11 O ATOM 0 H SER A 60 0.179 -2.273 -3.416 1.00 43.11 H new ATOM 0 HA SER A 60 1.166 -0.646 -1.136 1.00 43.22 H new ATOM 0 HB2 SER A 60 2.764 -2.433 -3.037 1.00 2.32 H new ATOM 0 HB3 SER A 60 3.418 -1.518 -1.693 1.00 2.32 H new ATOM 0 HG SER A 60 3.034 -3.741 -1.138 1.00 71.11 H new ATOM 970 N ILE A 61 1.873 1.247 -2.582 1.00 44.03 N ATOM 971 CA ILE A 61 2.247 2.402 -3.413 1.00 5.35 C ATOM 972 C ILE A 61 3.579 3.007 -2.931 1.00 1.40 C ATOM 973 O ILE A 61 3.892 2.939 -1.744 1.00 53.15 O ATOM 974 CB ILE A 61 1.150 3.505 -3.393 1.00 55.30 C ATOM 975 CG1 ILE A 61 1.031 4.135 -1.992 1.00 63.41 C ATOM 976 CG2 ILE A 61 -0.195 2.931 -3.843 1.00 24.40 C ATOM 977 CD1 ILE A 61 -0.012 5.230 -1.895 1.00 3.32 C ATOM 0 H ILE A 61 1.800 1.455 -1.586 1.00 44.03 H new ATOM 0 HA ILE A 61 2.356 2.039 -4.435 1.00 5.35 H new ATOM 0 HB ILE A 61 1.442 4.289 -4.092 1.00 55.30 H new ATOM 0 HG12 ILE A 61 0.790 3.353 -1.272 1.00 63.41 H new ATOM 0 HG13 ILE A 61 2.000 4.544 -1.705 1.00 63.41 H new ATOM 0 HG21 ILE A 61 -0.951 3.716 -3.823 1.00 24.40 H new ATOM 0 HG22 ILE A 61 -0.103 2.541 -4.857 1.00 24.40 H new ATOM 0 HG23 ILE A 61 -0.490 2.126 -3.170 1.00 24.40 H new ATOM 0 HD11 ILE A 61 -0.034 5.622 -0.878 1.00 3.32 H new ATOM 0 HD12 ILE A 61 0.238 6.033 -2.588 1.00 3.32 H new ATOM 0 HD13 ILE A 61 -0.991 4.823 -2.149 1.00 3.32 H new ATOM 989 N PRO A 62 4.380 3.602 -3.837 1.00 71.25 N ATOM 990 CA PRO A 62 5.670 4.225 -3.471 1.00 32.30 C ATOM 991 C PRO A 62 5.557 5.206 -2.290 1.00 33.24 C ATOM 992 O PRO A 62 4.609 5.988 -2.204 1.00 43.53 O ATOM 993 CB PRO A 62 6.072 4.967 -4.749 1.00 34.23 C ATOM 994 CG PRO A 62 5.421 4.195 -5.844 1.00 1.21 C ATOM 995 CD PRO A 62 4.108 3.712 -5.282 1.00 30.31 C ATOM 0 HA PRO A 62 6.395 3.482 -3.137 1.00 32.30 H new ATOM 0 HB2 PRO A 62 5.728 6.001 -4.733 1.00 34.23 H new ATOM 0 HB3 PRO A 62 7.155 4.993 -4.870 1.00 34.23 H new ATOM 0 HG2 PRO A 62 5.264 4.820 -6.723 1.00 1.21 H new ATOM 0 HG3 PRO A 62 6.045 3.357 -6.156 1.00 1.21 H new ATOM 0 HD2 PRO A 62 3.300 4.414 -5.487 1.00 30.31 H new ATOM 0 HD3 PRO A 62 3.815 2.754 -5.711 1.00 30.31 H new ATOM 1003 N ALA A 63 6.545 5.173 -1.396 1.00 62.33 N ATOM 1004 CA ALA A 63 6.534 5.998 -0.180 1.00 13.11 C ATOM 1005 C ALA A 63 6.511 7.502 -0.488 1.00 52.33 C ATOM 1006 O ALA A 63 6.041 8.302 0.326 1.00 2.23 O ATOM 1007 CB ALA A 63 7.737 5.659 0.685 1.00 73.02 C ATOM 0 H ALA A 63 7.370 4.581 -1.489 1.00 62.33 H new ATOM 0 HA ALA A 63 5.614 5.769 0.358 1.00 13.11 H new ATOM 0 HB1 ALA A 63 7.723 6.274 1.585 1.00 73.02 H new ATOM 0 HB2 ALA A 63 7.699 4.606 0.964 1.00 73.02 H new ATOM 0 HB3 ALA A 63 8.653 5.853 0.127 1.00 73.02 H new ATOM 1013 N SER A 64 7.031 7.880 -1.652 1.00 22.21 N ATOM 1014 CA SER A 64 6.995 9.280 -2.103 1.00 25.12 C ATOM 1015 C SER A 64 5.550 9.761 -2.317 1.00 23.01 C ATOM 1016 O SER A 64 5.239 10.943 -2.137 1.00 64.40 O ATOM 1017 CB SER A 64 7.786 9.440 -3.406 1.00 61.05 C ATOM 1018 OG SER A 64 7.790 10.789 -3.846 1.00 60.31 O ATOM 0 H SER A 64 7.484 7.241 -2.305 1.00 22.21 H new ATOM 0 HA SER A 64 7.451 9.890 -1.323 1.00 25.12 H new ATOM 0 HB2 SER A 64 8.811 9.102 -3.255 1.00 61.05 H new ATOM 0 HB3 SER A 64 7.351 8.805 -4.178 1.00 61.05 H new ATOM 0 HG SER A 64 8.303 10.860 -4.678 1.00 60.31 H new ATOM 1024 N VAL A 65 4.669 8.832 -2.689 1.00 3.04 N ATOM 1025 CA VAL A 65 3.252 9.136 -2.892 1.00 62.44 C ATOM 1026 C VAL A 65 2.548 9.381 -1.542 1.00 72.24 C ATOM 1027 O VAL A 65 2.695 8.587 -0.610 1.00 30.50 O ATOM 1028 CB VAL A 65 2.537 7.986 -3.652 1.00 60.42 C ATOM 1029 CG1 VAL A 65 1.065 8.314 -3.902 1.00 0.22 C ATOM 1030 CG2 VAL A 65 3.258 7.680 -4.966 1.00 30.14 C ATOM 0 H VAL A 65 4.914 7.856 -2.857 1.00 3.04 H new ATOM 0 HA VAL A 65 3.193 10.042 -3.494 1.00 62.44 H new ATOM 0 HB VAL A 65 2.574 7.096 -3.024 1.00 60.42 H new ATOM 0 HG11 VAL A 65 0.594 7.489 -4.436 1.00 0.22 H new ATOM 0 HG12 VAL A 65 0.559 8.465 -2.949 1.00 0.22 H new ATOM 0 HG13 VAL A 65 0.991 9.222 -4.500 1.00 0.22 H new ATOM 0 HG21 VAL A 65 2.742 6.872 -5.484 1.00 30.14 H new ATOM 0 HG22 VAL A 65 3.262 8.570 -5.595 1.00 30.14 H new ATOM 0 HG23 VAL A 65 4.285 7.380 -4.756 1.00 30.14 H new ATOM 1040 N PRO A 66 1.790 10.494 -1.420 1.00 11.20 N ATOM 1041 CA PRO A 66 1.076 10.854 -0.177 1.00 45.12 C ATOM 1042 C PRO A 66 0.351 9.673 0.505 1.00 64.33 C ATOM 1043 O PRO A 66 -0.379 8.914 -0.140 1.00 74.15 O ATOM 1044 CB PRO A 66 0.063 11.897 -0.662 1.00 33.14 C ATOM 1045 CG PRO A 66 0.746 12.568 -1.805 1.00 31.11 C ATOM 1046 CD PRO A 66 1.580 11.507 -2.479 1.00 70.52 C ATOM 0 HA PRO A 66 1.768 11.204 0.589 1.00 45.12 H new ATOM 0 HB2 PRO A 66 -0.871 11.430 -0.975 1.00 33.14 H new ATOM 0 HB3 PRO A 66 -0.185 12.608 0.126 1.00 33.14 H new ATOM 0 HG2 PRO A 66 0.019 12.991 -2.499 1.00 31.11 H new ATOM 0 HG3 PRO A 66 1.370 13.391 -1.457 1.00 31.11 H new ATOM 0 HD2 PRO A 66 1.066 11.083 -3.342 1.00 70.52 H new ATOM 0 HD3 PRO A 66 2.526 11.911 -2.839 1.00 70.52 H new ATOM 1054 N LEU A 67 0.557 9.539 1.814 1.00 24.45 N ATOM 1055 CA LEU A 67 -0.076 8.481 2.612 1.00 35.33 C ATOM 1056 C LEU A 67 -1.607 8.559 2.523 1.00 34.42 C ATOM 1057 O LEU A 67 -2.189 9.643 2.565 1.00 22.45 O ATOM 1058 CB LEU A 67 0.370 8.605 4.078 1.00 72.31 C ATOM 1059 CG LEU A 67 -0.231 7.580 5.058 1.00 53.44 C ATOM 1060 CD1 LEU A 67 0.227 6.166 4.710 1.00 70.50 C ATOM 1061 CD2 LEU A 67 0.134 7.937 6.500 1.00 62.32 C ATOM 0 H LEU A 67 1.164 10.156 2.353 1.00 24.45 H new ATOM 0 HA LEU A 67 0.237 7.516 2.213 1.00 35.33 H new ATOM 0 HB2 LEU A 67 1.456 8.519 4.115 1.00 72.31 H new ATOM 0 HB3 LEU A 67 0.117 9.605 4.430 1.00 72.31 H new ATOM 0 HG LEU A 67 -1.317 7.612 4.966 1.00 53.44 H new ATOM 0 HD11 LEU A 67 -0.209 5.458 5.415 1.00 70.50 H new ATOM 0 HD12 LEU A 67 -0.096 5.917 3.699 1.00 70.50 H new ATOM 0 HD13 LEU A 67 1.314 6.111 4.767 1.00 70.50 H new ATOM 0 HD21 LEU A 67 -0.299 7.202 7.178 1.00 62.32 H new ATOM 0 HD22 LEU A 67 1.218 7.938 6.611 1.00 62.32 H new ATOM 0 HD23 LEU A 67 -0.256 8.926 6.740 1.00 62.32 H new ATOM 1073 N LYS A 68 -2.258 7.407 2.385 1.00 35.22 N ATOM 1074 CA LYS A 68 -3.724 7.356 2.353 1.00 64.01 C ATOM 1075 C LYS A 68 -4.319 7.553 3.756 1.00 34.11 C ATOM 1076 O LYS A 68 -3.982 6.837 4.697 1.00 65.11 O ATOM 1077 CB LYS A 68 -4.209 6.025 1.760 1.00 73.33 C ATOM 1078 CG LYS A 68 -4.319 5.976 0.226 1.00 72.44 C ATOM 1079 CD LYS A 68 -3.176 6.689 -0.511 1.00 31.11 C ATOM 1080 CE LYS A 68 -3.546 8.127 -0.891 1.00 21.12 C ATOM 1081 NZ LYS A 68 -2.533 8.763 -1.775 1.00 0.01 N ATOM 0 H LYS A 68 -1.801 6.500 2.294 1.00 35.22 H new ATOM 0 HA LYS A 68 -4.067 8.172 1.717 1.00 64.01 H new ATOM 0 HB2 LYS A 68 -3.529 5.236 2.082 1.00 73.33 H new ATOM 0 HB3 LYS A 68 -5.187 5.795 2.183 1.00 73.33 H new ATOM 0 HG2 LYS A 68 -4.347 4.934 -0.092 1.00 72.44 H new ATOM 0 HG3 LYS A 68 -5.266 6.426 -0.074 1.00 72.44 H new ATOM 0 HD2 LYS A 68 -2.288 6.698 0.121 1.00 31.11 H new ATOM 0 HD3 LYS A 68 -2.921 6.130 -1.412 1.00 31.11 H new ATOM 0 HE2 LYS A 68 -4.513 8.129 -1.393 1.00 21.12 H new ATOM 0 HE3 LYS A 68 -3.656 8.722 0.016 1.00 21.12 H new ATOM 0 HZ1 LYS A 68 -2.749 9.775 -1.879 1.00 0.01 H new ATOM 0 HZ2 LYS A 68 -1.588 8.652 -1.356 1.00 0.01 H new ATOM 0 HZ3 LYS A 68 -2.553 8.307 -2.710 1.00 0.01 H new ATOM 1095 N GLU A 69 -5.219 8.521 3.872 1.00 43.24 N ATOM 1096 CA GLU A 69 -5.813 8.899 5.157 1.00 43.42 C ATOM 1097 C GLU A 69 -7.334 8.675 5.159 1.00 41.05 C ATOM 1098 O GLU A 69 -8.058 9.264 5.963 1.00 53.24 O ATOM 1099 CB GLU A 69 -5.501 10.377 5.415 1.00 3.15 C ATOM 1100 CG GLU A 69 -4.013 10.672 5.589 1.00 32.34 C ATOM 1101 CD GLU A 69 -3.702 12.161 5.584 1.00 44.02 C ATOM 1102 OE1 GLU A 69 -3.825 12.811 6.641 1.00 3.14 O ATOM 1103 OE2 GLU A 69 -3.334 12.693 4.514 1.00 61.43 O ATOM 0 H GLU A 69 -5.560 9.068 3.082 1.00 43.24 H new ATOM 0 HA GLU A 69 -5.390 8.275 5.944 1.00 43.42 H new ATOM 0 HB2 GLU A 69 -5.885 10.970 4.585 1.00 3.15 H new ATOM 0 HB3 GLU A 69 -6.033 10.700 6.310 1.00 3.15 H new ATOM 0 HG2 GLU A 69 -3.668 10.237 6.527 1.00 32.34 H new ATOM 0 HG3 GLU A 69 -3.455 10.186 4.788 1.00 32.34 H new ATOM 1110 N PHE A 70 -7.804 7.796 4.275 1.00 64.41 N ATOM 1111 CA PHE A 70 -9.243 7.564 4.096 1.00 54.11 C ATOM 1112 C PHE A 70 -9.882 6.858 5.307 1.00 34.14 C ATOM 1113 O PHE A 70 -9.191 6.423 6.231 1.00 33.23 O ATOM 1114 CB PHE A 70 -9.487 6.748 2.819 1.00 61.41 C ATOM 1115 CG PHE A 70 -8.914 7.388 1.577 1.00 41.14 C ATOM 1116 CD1 PHE A 70 -9.183 8.718 1.276 1.00 5.32 C ATOM 1117 CD2 PHE A 70 -8.109 6.662 0.712 1.00 53.32 C ATOM 1118 CE1 PHE A 70 -8.660 9.307 0.140 1.00 24.11 C ATOM 1119 CE2 PHE A 70 -7.586 7.246 -0.426 1.00 42.24 C ATOM 1120 CZ PHE A 70 -7.861 8.570 -0.713 1.00 53.40 C ATOM 0 H PHE A 70 -7.210 7.230 3.669 1.00 64.41 H new ATOM 0 HA PHE A 70 -9.720 8.540 4.007 1.00 54.11 H new ATOM 0 HB2 PHE A 70 -9.051 5.757 2.942 1.00 61.41 H new ATOM 0 HB3 PHE A 70 -10.560 6.610 2.685 1.00 61.41 H new ATOM 0 HD1 PHE A 70 -9.808 9.299 1.938 1.00 5.32 H new ATOM 0 HD2 PHE A 70 -7.888 5.628 0.930 1.00 53.32 H new ATOM 0 HE1 PHE A 70 -8.876 10.342 -0.081 1.00 24.11 H new ATOM 0 HE2 PHE A 70 -6.962 6.668 -1.091 1.00 42.24 H new ATOM 0 HZ PHE A 70 -7.452 9.027 -1.602 1.00 53.40 H new ATOM 1130 N ASP A 71 -11.211 6.757 5.287 1.00 22.14 N ATOM 1131 CA ASP A 71 -11.968 6.139 6.380 1.00 4.44 C ATOM 1132 C ASP A 71 -12.078 4.615 6.201 1.00 44.11 C ATOM 1133 O ASP A 71 -11.660 4.063 5.179 1.00 4.42 O ATOM 1134 CB ASP A 71 -13.373 6.748 6.437 1.00 72.32 C ATOM 1135 CG ASP A 71 -13.346 8.265 6.455 1.00 13.20 C ATOM 1136 OD1 ASP A 71 -13.337 8.875 5.360 1.00 1.42 O ATOM 1137 OD2 ASP A 71 -13.337 8.856 7.557 1.00 31.41 O ATOM 0 H ASP A 71 -11.791 7.098 4.520 1.00 22.14 H new ATOM 0 HA ASP A 71 -11.435 6.333 7.311 1.00 4.44 H new ATOM 0 HB2 ASP A 71 -13.949 6.408 5.576 1.00 72.32 H new ATOM 0 HB3 ASP A 71 -13.887 6.386 7.327 1.00 72.32 H new ATOM 1142 N TYR A 72 -12.656 3.936 7.190 1.00 55.21 N ATOM 1143 CA TYR A 72 -12.874 2.492 7.095 1.00 52.43 C ATOM 1144 C TYR A 72 -14.036 2.197 6.129 1.00 32.14 C ATOM 1145 O TYR A 72 -15.076 2.860 6.171 1.00 43.33 O ATOM 1146 CB TYR A 72 -13.163 1.888 8.481 1.00 33.12 C ATOM 1147 CG TYR A 72 -12.993 0.377 8.528 1.00 1.24 C ATOM 1148 CD1 TYR A 72 -14.051 -0.482 8.237 1.00 61.22 C ATOM 1149 CD2 TYR A 72 -11.764 -0.190 8.856 1.00 52.24 C ATOM 1150 CE1 TYR A 72 -13.886 -1.856 8.270 1.00 34.15 C ATOM 1151 CE2 TYR A 72 -11.593 -1.561 8.888 1.00 3.44 C ATOM 1152 CZ TYR A 72 -12.657 -2.391 8.595 1.00 54.22 C ATOM 1153 OH TYR A 72 -12.482 -3.761 8.622 1.00 41.02 O ATOM 0 H TYR A 72 -12.980 4.358 8.060 1.00 55.21 H new ATOM 0 HA TYR A 72 -11.965 2.031 6.708 1.00 52.43 H new ATOM 0 HB2 TYR A 72 -12.498 2.344 9.214 1.00 33.12 H new ATOM 0 HB3 TYR A 72 -14.182 2.141 8.774 1.00 33.12 H new ATOM 0 HD1 TYR A 72 -15.016 -0.069 7.982 1.00 61.22 H new ATOM 0 HD2 TYR A 72 -10.929 0.454 9.090 1.00 52.24 H new ATOM 0 HE1 TYR A 72 -14.717 -2.507 8.042 1.00 34.15 H new ATOM 0 HE2 TYR A 72 -10.631 -1.982 9.141 1.00 3.44 H new ATOM 0 HH TYR A 72 -11.556 -3.968 8.868 1.00 41.02 H new ATOM 1163 N ASN A 73 -13.846 1.207 5.257 1.00 3.11 N ATOM 1164 CA ASN A 73 -14.813 0.883 4.195 1.00 11.31 C ATOM 1165 C ASN A 73 -15.030 2.062 3.230 1.00 2.41 C ATOM 1166 O ASN A 73 -16.033 2.116 2.514 1.00 35.51 O ATOM 1167 CB ASN A 73 -16.151 0.424 4.793 1.00 31.13 C ATOM 1168 CG ASN A 73 -16.029 -0.912 5.499 1.00 74.55 C ATOM 1169 OD1 ASN A 73 -15.205 -1.745 5.135 1.00 0.45 O ATOM 1170 ND2 ASN A 73 -16.843 -1.130 6.507 1.00 23.20 N ATOM 0 H ASN A 73 -13.022 0.606 5.262 1.00 3.11 H new ATOM 0 HA ASN A 73 -14.388 0.062 3.617 1.00 11.31 H new ATOM 0 HB2 ASN A 73 -16.510 1.175 5.497 1.00 31.13 H new ATOM 0 HB3 ASN A 73 -16.895 0.349 4.000 1.00 31.13 H new ATOM 0 HD21 ASN A 73 -16.802 -2.014 7.014 1.00 23.20 H new ATOM 0 HD22 ASN A 73 -17.516 -0.415 6.783 1.00 23.20 H new ATOM 1177 N ALA A 74 -14.072 2.986 3.193 1.00 52.13 N ATOM 1178 CA ALA A 74 -14.137 4.137 2.291 1.00 2.33 C ATOM 1179 C ALA A 74 -13.994 3.714 0.820 1.00 63.35 C ATOM 1180 O ALA A 74 -13.189 2.842 0.487 1.00 24.23 O ATOM 1181 CB ALA A 74 -13.061 5.157 2.654 1.00 70.10 C ATOM 0 H ALA A 74 -13.238 2.961 3.779 1.00 52.13 H new ATOM 0 HA ALA A 74 -15.119 4.595 2.411 1.00 2.33 H new ATOM 0 HB1 ALA A 74 -13.122 6.007 1.975 1.00 70.10 H new ATOM 0 HB2 ALA A 74 -13.214 5.499 3.678 1.00 70.10 H new ATOM 0 HB3 ALA A 74 -12.078 4.694 2.569 1.00 70.10 H new ATOM 1187 N ARG A 75 -14.781 4.344 -0.049 1.00 65.32 N ATOM 1188 CA ARG A 75 -14.752 4.062 -1.491 1.00 71.34 C ATOM 1189 C ARG A 75 -13.431 4.525 -2.119 1.00 13.11 C ATOM 1190 O ARG A 75 -13.172 5.724 -2.214 1.00 41.03 O ATOM 1191 CB ARG A 75 -15.935 4.762 -2.187 1.00 63.41 C ATOM 1192 CG ARG A 75 -17.243 3.969 -2.183 1.00 32.13 C ATOM 1193 CD ARG A 75 -17.546 3.334 -0.827 1.00 25.13 C ATOM 1194 NE ARG A 75 -18.904 2.789 -0.747 1.00 74.21 N ATOM 1195 CZ ARG A 75 -19.424 1.928 -1.590 1.00 64.13 C ATOM 1196 NH1 ARG A 75 -18.742 1.460 -2.587 1.00 3.23 N ATOM 1197 NH2 ARG A 75 -20.643 1.537 -1.431 1.00 64.34 N ATOM 0 H ARG A 75 -15.455 5.061 0.220 1.00 65.32 H new ATOM 0 HA ARG A 75 -14.836 2.984 -1.628 1.00 71.34 H new ATOM 0 HB2 ARG A 75 -16.107 5.722 -1.701 1.00 63.41 H new ATOM 0 HB3 ARG A 75 -15.658 4.973 -3.220 1.00 63.41 H new ATOM 0 HG2 ARG A 75 -18.064 4.630 -2.461 1.00 32.13 H new ATOM 0 HG3 ARG A 75 -17.191 3.188 -2.941 1.00 32.13 H new ATOM 0 HD2 ARG A 75 -16.828 2.537 -0.635 1.00 25.13 H new ATOM 0 HD3 ARG A 75 -17.412 4.080 -0.043 1.00 25.13 H new ATOM 0 HE ARG A 75 -19.492 3.104 0.025 1.00 74.21 H new ATOM 0 HH11 ARG A 75 -17.778 1.760 -2.731 1.00 3.23 H new ATOM 0 HH12 ARG A 75 -19.169 0.792 -3.228 1.00 3.23 H new ATOM 0 HH21 ARG A 75 -21.197 1.897 -0.654 1.00 64.34 H new ATOM 0 HH22 ARG A 75 -21.053 0.868 -2.083 1.00 64.34 H new ATOM 1211 N VAL A 76 -12.605 3.571 -2.543 1.00 55.41 N ATOM 1212 CA VAL A 76 -11.306 3.883 -3.155 1.00 23.50 C ATOM 1213 C VAL A 76 -11.105 3.150 -4.498 1.00 71.04 C ATOM 1214 O VAL A 76 -11.606 2.043 -4.706 1.00 12.12 O ATOM 1215 CB VAL A 76 -10.125 3.544 -2.204 1.00 71.25 C ATOM 1216 CG1 VAL A 76 -10.218 4.355 -0.914 1.00 74.25 C ATOM 1217 CG2 VAL A 76 -10.068 2.047 -1.901 1.00 11.51 C ATOM 0 H VAL A 76 -12.808 2.574 -2.476 1.00 55.41 H new ATOM 0 HA VAL A 76 -11.314 4.957 -3.343 1.00 23.50 H new ATOM 0 HB VAL A 76 -9.200 3.815 -2.713 1.00 71.25 H new ATOM 0 HG11 VAL A 76 -9.381 4.101 -0.264 1.00 74.25 H new ATOM 0 HG12 VAL A 76 -10.185 5.419 -1.150 1.00 74.25 H new ATOM 0 HG13 VAL A 76 -11.155 4.125 -0.406 1.00 74.25 H new ATOM 0 HG21 VAL A 76 -9.231 1.843 -1.233 1.00 11.51 H new ATOM 0 HG22 VAL A 76 -10.997 1.737 -1.423 1.00 11.51 H new ATOM 0 HG23 VAL A 76 -9.935 1.493 -2.830 1.00 11.51 H new ATOM 1227 N GLU A 77 -10.378 3.791 -5.410 1.00 15.11 N ATOM 1228 CA GLU A 77 -10.047 3.205 -6.711 1.00 4.42 C ATOM 1229 C GLU A 77 -8.551 3.391 -7.028 1.00 35.54 C ATOM 1230 O GLU A 77 -7.919 4.348 -6.573 1.00 41.22 O ATOM 1231 CB GLU A 77 -10.914 3.829 -7.822 1.00 64.43 C ATOM 1232 CG GLU A 77 -10.833 5.352 -7.897 1.00 13.42 C ATOM 1233 CD GLU A 77 -11.639 5.943 -9.050 1.00 11.23 C ATOM 1234 OE1 GLU A 77 -12.866 5.710 -9.109 1.00 32.34 O ATOM 1235 OE2 GLU A 77 -11.049 6.654 -9.895 1.00 72.30 O ATOM 0 H GLU A 77 -10.002 4.729 -5.271 1.00 15.11 H new ATOM 0 HA GLU A 77 -10.258 2.136 -6.667 1.00 4.42 H new ATOM 0 HB2 GLU A 77 -10.610 3.412 -8.782 1.00 64.43 H new ATOM 0 HB3 GLU A 77 -11.953 3.539 -7.663 1.00 64.43 H new ATOM 0 HG2 GLU A 77 -11.191 5.775 -6.958 1.00 13.42 H new ATOM 0 HG3 GLU A 77 -9.789 5.649 -8.003 1.00 13.42 H new ATOM 1242 N LEU A 78 -7.993 2.465 -7.806 1.00 34.01 N ATOM 1243 CA LEU A 78 -6.560 2.480 -8.130 1.00 63.14 C ATOM 1244 C LEU A 78 -6.297 3.073 -9.522 1.00 2.45 C ATOM 1245 O LEU A 78 -6.986 2.746 -10.488 1.00 13.25 O ATOM 1246 CB LEU A 78 -5.993 1.053 -8.056 1.00 11.04 C ATOM 1247 CG LEU A 78 -6.130 0.363 -6.688 1.00 31.13 C ATOM 1248 CD1 LEU A 78 -5.551 -1.050 -6.725 1.00 62.11 C ATOM 1249 CD2 LEU A 78 -5.457 1.190 -5.597 1.00 35.01 C ATOM 0 H LEU A 78 -8.509 1.692 -8.226 1.00 34.01 H new ATOM 0 HA LEU A 78 -6.060 3.114 -7.398 1.00 63.14 H new ATOM 0 HB2 LEU A 78 -6.495 0.441 -8.805 1.00 11.04 H new ATOM 0 HB3 LEU A 78 -4.937 1.085 -8.325 1.00 11.04 H new ATOM 0 HG LEU A 78 -7.192 0.286 -6.456 1.00 31.13 H new ATOM 0 HD11 LEU A 78 -5.661 -1.514 -5.745 1.00 62.11 H new ATOM 0 HD12 LEU A 78 -6.084 -1.642 -7.469 1.00 62.11 H new ATOM 0 HD13 LEU A 78 -4.494 -1.003 -6.988 1.00 62.11 H new ATOM 0 HD21 LEU A 78 -5.566 0.684 -4.638 1.00 35.01 H new ATOM 0 HD22 LEU A 78 -4.398 1.305 -5.829 1.00 35.01 H new ATOM 0 HD23 LEU A 78 -5.926 2.173 -5.544 1.00 35.01 H new ATOM 1261 N ILE A 79 -5.291 3.943 -9.615 1.00 34.32 N ATOM 1262 CA ILE A 79 -4.906 4.543 -10.900 1.00 20.12 C ATOM 1263 C ILE A 79 -4.306 3.483 -11.850 1.00 63.44 C ATOM 1264 O ILE A 79 -4.968 3.027 -12.783 1.00 10.05 O ATOM 1265 CB ILE A 79 -3.904 5.725 -10.707 1.00 21.43 C ATOM 1266 CG1 ILE A 79 -4.596 6.957 -10.079 1.00 20.34 C ATOM 1267 CG2 ILE A 79 -3.254 6.112 -12.035 1.00 53.20 C ATOM 1268 CD1 ILE A 79 -5.122 6.743 -8.675 1.00 34.13 C ATOM 0 H ILE A 79 -4.728 4.249 -8.822 1.00 34.32 H new ATOM 0 HA ILE A 79 -5.814 4.942 -11.353 1.00 20.12 H new ATOM 0 HB ILE A 79 -3.128 5.383 -10.022 1.00 21.43 H new ATOM 0 HG12 ILE A 79 -3.888 7.786 -10.064 1.00 20.34 H new ATOM 0 HG13 ILE A 79 -5.425 7.257 -10.721 1.00 20.34 H new ATOM 0 HG21 ILE A 79 -2.561 6.937 -11.874 1.00 53.20 H new ATOM 0 HG22 ILE A 79 -2.712 5.256 -12.438 1.00 53.20 H new ATOM 0 HG23 ILE A 79 -4.025 6.419 -12.742 1.00 53.20 H new ATOM 0 HD11 ILE A 79 -5.590 7.660 -8.318 1.00 34.13 H new ATOM 0 HD12 ILE A 79 -5.858 5.939 -8.681 1.00 34.13 H new ATOM 0 HD13 ILE A 79 -4.297 6.476 -8.014 1.00 34.13 H new ATOM 1280 N ASN A 80 -3.056 3.087 -11.602 1.00 13.31 N ATOM 1281 CA ASN A 80 -2.400 2.043 -12.406 1.00 44.12 C ATOM 1282 C ASN A 80 -1.843 0.923 -11.506 1.00 73.45 C ATOM 1283 O ASN A 80 -0.693 0.978 -11.072 1.00 14.10 O ATOM 1284 CB ASN A 80 -1.281 2.650 -13.271 1.00 63.12 C ATOM 1285 CG ASN A 80 -1.820 3.587 -14.344 1.00 35.40 C ATOM 1286 OD1 ASN A 80 -2.915 3.399 -14.859 1.00 13.32 O ATOM 1287 ND2 ASN A 80 -1.053 4.600 -14.700 1.00 51.03 N ATOM 0 H ASN A 80 -2.476 3.469 -10.855 1.00 13.31 H new ATOM 0 HA ASN A 80 -3.148 1.605 -13.067 1.00 44.12 H new ATOM 0 HB2 ASN A 80 -0.587 3.195 -12.632 1.00 63.12 H new ATOM 0 HB3 ASN A 80 -0.715 1.847 -13.744 1.00 63.12 H new ATOM 0 HD21 ASN A 80 -1.368 5.250 -15.420 1.00 51.03 H new ATOM 0 HD22 ASN A 80 -0.145 4.733 -14.255 1.00 51.03 H new ATOM 1294 N PRO A 81 -2.688 -0.067 -11.151 1.00 13.42 N ATOM 1295 CA PRO A 81 -2.284 -1.213 -10.318 1.00 14.34 C ATOM 1296 C PRO A 81 -1.604 -2.363 -11.097 1.00 35.41 C ATOM 1297 O PRO A 81 -1.805 -2.528 -12.303 1.00 4.31 O ATOM 1298 CB PRO A 81 -3.619 -1.676 -9.732 1.00 1.13 C ATOM 1299 CG PRO A 81 -4.620 -1.371 -10.798 1.00 44.42 C ATOM 1300 CD PRO A 81 -4.116 -0.145 -11.528 1.00 50.33 C ATOM 0 HA PRO A 81 -1.529 -0.927 -9.586 1.00 14.34 H new ATOM 0 HB2 PRO A 81 -3.602 -2.740 -9.496 1.00 1.13 H new ATOM 0 HB3 PRO A 81 -3.851 -1.148 -8.807 1.00 1.13 H new ATOM 0 HG2 PRO A 81 -4.726 -2.213 -11.482 1.00 44.42 H new ATOM 0 HG3 PRO A 81 -5.603 -1.187 -10.365 1.00 44.42 H new ATOM 0 HD2 PRO A 81 -4.239 -0.244 -12.606 1.00 50.33 H new ATOM 0 HD3 PRO A 81 -4.658 0.751 -11.226 1.00 50.33 H new ATOM 1308 N ILE A 82 -0.805 -3.156 -10.382 1.00 30.44 N ATOM 1309 CA ILE A 82 -0.219 -4.393 -10.913 1.00 44.32 C ATOM 1310 C ILE A 82 -0.177 -5.477 -9.820 1.00 41.34 C ATOM 1311 O ILE A 82 0.386 -5.267 -8.742 1.00 2.43 O ATOM 1312 CB ILE A 82 1.224 -4.192 -11.471 1.00 74.41 C ATOM 1313 CG1 ILE A 82 2.143 -3.554 -10.414 1.00 75.54 C ATOM 1314 CG2 ILE A 82 1.203 -3.352 -12.747 1.00 20.43 C ATOM 1315 CD1 ILE A 82 3.611 -3.550 -10.793 1.00 4.02 C ATOM 0 H ILE A 82 -0.544 -2.960 -9.416 1.00 30.44 H new ATOM 0 HA ILE A 82 -0.859 -4.703 -11.739 1.00 44.32 H new ATOM 0 HB ILE A 82 1.626 -5.175 -11.717 1.00 74.41 H new ATOM 0 HG12 ILE A 82 1.821 -2.527 -10.240 1.00 75.54 H new ATOM 0 HG13 ILE A 82 2.023 -4.090 -9.472 1.00 75.54 H new ATOM 0 HG21 ILE A 82 2.221 -3.226 -13.116 1.00 20.43 H new ATOM 0 HG22 ILE A 82 0.602 -3.855 -13.504 1.00 20.43 H new ATOM 0 HG23 ILE A 82 0.771 -2.374 -12.532 1.00 20.43 H new ATOM 0 HD11 ILE A 82 4.191 -3.084 -9.997 1.00 4.02 H new ATOM 0 HD12 ILE A 82 3.952 -4.575 -10.938 1.00 4.02 H new ATOM 0 HD13 ILE A 82 3.747 -2.988 -11.717 1.00 4.02 H new ATOM 1327 N ALA A 83 -0.794 -6.621 -10.088 1.00 64.15 N ATOM 1328 CA ALA A 83 -0.747 -7.755 -9.156 1.00 4.44 C ATOM 1329 C ALA A 83 0.648 -8.403 -9.149 1.00 11.50 C ATOM 1330 O ALA A 83 1.177 -8.758 -10.205 1.00 22.24 O ATOM 1331 CB ALA A 83 -1.813 -8.783 -9.522 1.00 53.03 C ATOM 0 H ALA A 83 -1.332 -6.794 -10.937 1.00 64.15 H new ATOM 0 HA ALA A 83 -0.950 -7.382 -8.152 1.00 4.44 H new ATOM 0 HB1 ALA A 83 -1.768 -9.619 -8.824 1.00 53.03 H new ATOM 0 HB2 ALA A 83 -2.798 -8.320 -9.470 1.00 53.03 H new ATOM 0 HB3 ALA A 83 -1.636 -9.146 -10.534 1.00 53.03 H new ATOM 1337 N ASP A 84 1.242 -8.547 -7.966 1.00 41.15 N ATOM 1338 CA ASP A 84 2.578 -9.141 -7.844 1.00 52.31 C ATOM 1339 C ASP A 84 2.570 -10.622 -8.258 1.00 52.12 C ATOM 1340 O ASP A 84 1.582 -11.332 -8.068 1.00 11.43 O ATOM 1341 CB ASP A 84 3.116 -8.978 -6.417 1.00 62.42 C ATOM 1342 CG ASP A 84 4.513 -9.565 -6.254 1.00 21.11 C ATOM 1343 OD1 ASP A 84 5.479 -8.938 -6.735 1.00 25.22 O ATOM 1344 OD2 ASP A 84 4.647 -10.654 -5.656 1.00 1.23 O ATOM 0 H ASP A 84 0.824 -8.263 -7.080 1.00 41.15 H new ATOM 0 HA ASP A 84 3.243 -8.609 -8.524 1.00 52.31 H new ATOM 0 HB2 ASP A 84 3.137 -7.919 -6.158 1.00 62.42 H new ATOM 0 HB3 ASP A 84 2.436 -9.464 -5.717 1.00 62.42 H new ATOM 1522 N TRP A 98 -1.623 -11.948 -1.136 1.00 63.54 N ATOM 1523 CA TRP A 98 -1.066 -11.339 -2.358 1.00 21.42 C ATOM 1524 C TRP A 98 -1.075 -9.796 -2.330 1.00 43.50 C ATOM 1525 O TRP A 98 -1.989 -9.155 -1.794 1.00 14.20 O ATOM 1526 CB TRP A 98 -1.793 -11.866 -3.607 1.00 51.31 C ATOM 1527 CG TRP A 98 -3.235 -11.463 -3.723 1.00 44.21 C ATOM 1528 CD1 TRP A 98 -4.202 -11.557 -2.764 1.00 43.33 C ATOM 1529 CD2 TRP A 98 -3.878 -10.937 -4.890 1.00 21.10 C ATOM 1530 NE1 TRP A 98 -5.401 -11.101 -3.259 1.00 54.33 N ATOM 1531 CE2 TRP A 98 -5.225 -10.718 -4.564 1.00 2.11 C ATOM 1532 CE3 TRP A 98 -3.433 -10.622 -6.177 1.00 23.32 C ATOM 1533 CZ2 TRP A 98 -6.136 -10.202 -5.484 1.00 65.21 C ATOM 1534 CZ3 TRP A 98 -4.335 -10.111 -7.087 1.00 42.34 C ATOM 1535 CH2 TRP A 98 -5.674 -9.903 -6.738 1.00 33.30 C ATOM 0 HA TRP A 98 -0.019 -11.638 -2.401 1.00 21.42 H new ATOM 0 HB2 TRP A 98 -1.262 -11.516 -4.492 1.00 51.31 H new ATOM 0 HB3 TRP A 98 -1.735 -12.954 -3.610 1.00 51.31 H new ATOM 0 HD1 TRP A 98 -4.048 -11.934 -1.764 1.00 43.33 H new ATOM 0 HE1 TRP A 98 -6.278 -11.055 -2.740 1.00 54.33 H new ATOM 0 HE3 TRP A 98 -2.401 -10.776 -6.454 1.00 23.32 H new ATOM 0 HZ2 TRP A 98 -7.170 -10.043 -5.217 1.00 65.21 H new ATOM 0 HZ3 TRP A 98 -4.002 -9.867 -8.085 1.00 42.34 H new ATOM 0 HH2 TRP A 98 -6.356 -9.499 -7.471 1.00 33.30 H new ATOM 1546 N TYR A 99 -0.031 -9.217 -2.931 1.00 53.44 N ATOM 1547 CA TYR A 99 0.153 -7.763 -2.975 1.00 72.14 C ATOM 1548 C TYR A 99 -0.135 -7.196 -4.375 1.00 74.11 C ATOM 1549 O TYR A 99 0.073 -7.863 -5.388 1.00 2.15 O ATOM 1550 CB TYR A 99 1.590 -7.404 -2.565 1.00 61.14 C ATOM 1551 CG TYR A 99 1.926 -7.737 -1.119 1.00 53.01 C ATOM 1552 CD1 TYR A 99 2.121 -9.054 -0.714 1.00 1.24 C ATOM 1553 CD2 TYR A 99 2.059 -6.734 -0.162 1.00 73.24 C ATOM 1554 CE1 TYR A 99 2.434 -9.361 0.599 1.00 55.25 C ATOM 1555 CE2 TYR A 99 2.372 -7.034 1.151 1.00 60.11 C ATOM 1556 CZ TYR A 99 2.560 -8.348 1.526 1.00 34.40 C ATOM 1557 OH TYR A 99 2.872 -8.650 2.835 1.00 22.21 O ATOM 0 H TYR A 99 0.708 -9.741 -3.399 1.00 53.44 H new ATOM 0 HA TYR A 99 -0.556 -7.319 -2.276 1.00 72.14 H new ATOM 0 HB2 TYR A 99 2.285 -7.931 -3.219 1.00 61.14 H new ATOM 0 HB3 TYR A 99 1.747 -6.337 -2.727 1.00 61.14 H new ATOM 0 HD1 TYR A 99 2.026 -9.851 -1.437 1.00 1.24 H new ATOM 0 HD2 TYR A 99 1.915 -5.703 -0.451 1.00 73.24 H new ATOM 0 HE1 TYR A 99 2.579 -10.389 0.896 1.00 55.25 H new ATOM 0 HE2 TYR A 99 2.469 -6.243 1.880 1.00 60.11 H new ATOM 0 HH TYR A 99 2.924 -7.823 3.358 1.00 22.21 H new ATOM 1567 N ILE A 100 -0.611 -5.955 -4.420 1.00 4.14 N ATOM 1568 CA ILE A 100 -0.887 -5.261 -5.680 1.00 44.45 C ATOM 1569 C ILE A 100 -0.245 -3.861 -5.671 1.00 15.13 C ATOM 1570 O ILE A 100 -0.701 -2.968 -4.958 1.00 74.13 O ATOM 1571 CB ILE A 100 -2.416 -5.121 -5.923 1.00 12.20 C ATOM 1572 CG1 ILE A 100 -3.110 -6.493 -5.836 1.00 1.21 C ATOM 1573 CG2 ILE A 100 -2.694 -4.466 -7.276 1.00 35.22 C ATOM 1574 CD1 ILE A 100 -4.617 -6.428 -5.984 1.00 33.42 C ATOM 0 H ILE A 100 -0.817 -5.401 -3.589 1.00 4.14 H new ATOM 0 HA ILE A 100 -0.458 -5.857 -6.485 1.00 44.45 H new ATOM 0 HB ILE A 100 -2.824 -4.479 -5.142 1.00 12.20 H new ATOM 0 HG12 ILE A 100 -2.706 -7.144 -6.612 1.00 1.21 H new ATOM 0 HG13 ILE A 100 -2.868 -6.952 -4.877 1.00 1.21 H new ATOM 0 HG21 ILE A 100 -3.770 -4.379 -7.424 1.00 35.22 H new ATOM 0 HG22 ILE A 100 -2.243 -3.474 -7.300 1.00 35.22 H new ATOM 0 HG23 ILE A 100 -2.267 -5.078 -8.071 1.00 35.22 H new ATOM 0 HD11 ILE A 100 -5.033 -7.433 -5.912 1.00 33.42 H new ATOM 0 HD12 ILE A 100 -5.034 -5.805 -5.193 1.00 33.42 H new ATOM 0 HD13 ILE A 100 -4.869 -6.000 -6.954 1.00 33.42 H new ATOM 1586 N LYS A 101 0.820 -3.677 -6.447 1.00 72.13 N ATOM 1587 CA LYS A 101 1.515 -2.383 -6.515 1.00 51.01 C ATOM 1588 C LYS A 101 0.747 -1.387 -7.399 1.00 65.22 C ATOM 1589 O LYS A 101 0.387 -1.703 -8.526 1.00 11.01 O ATOM 1590 CB LYS A 101 2.940 -2.578 -7.051 1.00 0.54 C ATOM 1591 CG LYS A 101 3.879 -3.284 -6.075 1.00 53.12 C ATOM 1592 CD LYS A 101 5.190 -3.702 -6.743 1.00 72.14 C ATOM 1593 CE LYS A 101 5.867 -2.543 -7.473 1.00 11.22 C ATOM 1594 NZ LYS A 101 6.234 -1.435 -6.555 1.00 41.23 N ATOM 0 H LYS A 101 1.224 -4.403 -7.039 1.00 72.13 H new ATOM 0 HA LYS A 101 1.565 -1.971 -5.507 1.00 51.01 H new ATOM 0 HB2 LYS A 101 2.894 -3.153 -7.976 1.00 0.54 H new ATOM 0 HB3 LYS A 101 3.359 -1.604 -7.302 1.00 0.54 H new ATOM 0 HG2 LYS A 101 4.094 -2.622 -5.236 1.00 53.12 H new ATOM 0 HG3 LYS A 101 3.383 -4.165 -5.667 1.00 53.12 H new ATOM 0 HD2 LYS A 101 5.869 -4.099 -5.988 1.00 72.14 H new ATOM 0 HD3 LYS A 101 4.994 -4.508 -7.450 1.00 72.14 H new ATOM 0 HE2 LYS A 101 6.763 -2.907 -7.976 1.00 11.22 H new ATOM 0 HE3 LYS A 101 5.199 -2.164 -8.247 1.00 11.22 H new ATOM 0 HZ1 LYS A 101 6.564 -0.620 -7.110 1.00 41.23 H new ATOM 0 HZ2 LYS A 101 5.403 -1.159 -5.995 1.00 41.23 H new ATOM 0 HZ3 LYS A 101 6.992 -1.750 -5.917 1.00 41.23 H new ATOM 1608 N ALA A 102 0.499 -0.185 -6.888 1.00 43.03 N ATOM 1609 CA ALA A 102 -0.282 0.816 -7.622 1.00 33.44 C ATOM 1610 C ALA A 102 0.412 2.182 -7.659 1.00 55.23 C ATOM 1611 O ALA A 102 1.180 2.528 -6.762 1.00 73.00 O ATOM 1612 CB ALA A 102 -1.671 0.947 -7.004 1.00 44.30 C ATOM 0 H ALA A 102 0.825 0.123 -5.972 1.00 43.03 H new ATOM 0 HA ALA A 102 -0.370 0.472 -8.652 1.00 33.44 H new ATOM 0 HB1 ALA A 102 -2.245 1.692 -7.554 1.00 44.30 H new ATOM 0 HB2 ALA A 102 -2.183 -0.014 -7.052 1.00 44.30 H new ATOM 0 HB3 ALA A 102 -1.578 1.257 -5.963 1.00 44.30 H new ATOM 1618 N ASP A 103 0.140 2.951 -8.712 1.00 31.52 N ATOM 1619 CA ASP A 103 0.663 4.318 -8.835 1.00 12.04 C ATOM 1620 C ASP A 103 0.146 5.224 -7.698 1.00 63.14 C ATOM 1621 O ASP A 103 0.887 6.051 -7.163 1.00 23.51 O ATOM 1622 CB ASP A 103 0.267 4.907 -10.198 1.00 54.35 C ATOM 1623 CG ASP A 103 0.844 6.296 -10.425 1.00 21.22 C ATOM 1624 OD1 ASP A 103 2.068 6.471 -10.251 1.00 11.12 O ATOM 1625 OD2 ASP A 103 0.074 7.220 -10.761 1.00 11.24 O ATOM 0 H ASP A 103 -0.441 2.653 -9.496 1.00 31.52 H new ATOM 0 HA ASP A 103 1.749 4.272 -8.759 1.00 12.04 H new ATOM 0 HB2 ASP A 103 0.609 4.241 -10.990 1.00 54.35 H new ATOM 0 HB3 ASP A 103 -0.820 4.953 -10.268 1.00 54.35 H new ATOM 1630 N ASP A 104 -1.133 5.056 -7.344 1.00 54.11 N ATOM 1631 CA ASP A 104 -1.767 5.842 -6.277 1.00 13.21 C ATOM 1632 C ASP A 104 -3.178 5.309 -5.959 1.00 11.24 C ATOM 1633 O ASP A 104 -3.775 4.572 -6.756 1.00 73.22 O ATOM 1634 CB ASP A 104 -1.838 7.326 -6.677 1.00 72.04 C ATOM 1635 CG ASP A 104 -2.400 8.218 -5.578 1.00 3.12 C ATOM 1636 OD1 ASP A 104 -2.111 7.966 -4.386 1.00 40.53 O ATOM 1637 OD2 ASP A 104 -3.120 9.183 -5.898 1.00 31.14 O ATOM 0 H ASP A 104 -1.754 4.377 -7.784 1.00 54.11 H new ATOM 0 HA ASP A 104 -1.157 5.746 -5.379 1.00 13.21 H new ATOM 0 HB2 ASP A 104 -0.839 7.672 -6.942 1.00 72.04 H new ATOM 0 HB3 ASP A 104 -2.457 7.426 -7.569 1.00 72.04 H new ATOM 1642 N ILE A 105 -3.696 5.690 -4.790 1.00 72.11 N ATOM 1643 CA ILE A 105 -5.037 5.291 -4.343 1.00 31.34 C ATOM 1644 C ILE A 105 -5.908 6.527 -4.053 1.00 43.21 C ATOM 1645 O ILE A 105 -5.594 7.318 -3.161 1.00 71.52 O ATOM 1646 CB ILE A 105 -4.960 4.430 -3.055 1.00 52.14 C ATOM 1647 CG1 ILE A 105 -3.940 3.292 -3.220 1.00 72.53 C ATOM 1648 CG2 ILE A 105 -6.339 3.874 -2.695 1.00 31.50 C ATOM 1649 CD1 ILE A 105 -3.795 2.414 -1.992 1.00 5.43 C ATOM 0 H ILE A 105 -3.200 6.283 -4.125 1.00 72.11 H new ATOM 0 HA ILE A 105 -5.484 4.706 -5.147 1.00 31.34 H new ATOM 0 HB ILE A 105 -4.625 5.069 -2.238 1.00 52.14 H new ATOM 0 HG12 ILE A 105 -4.237 2.671 -4.065 1.00 72.53 H new ATOM 0 HG13 ILE A 105 -2.968 3.721 -3.465 1.00 72.53 H new ATOM 0 HG21 ILE A 105 -6.264 3.273 -1.789 1.00 31.50 H new ATOM 0 HG22 ILE A 105 -7.031 4.699 -2.527 1.00 31.50 H new ATOM 0 HG23 ILE A 105 -6.706 3.253 -3.513 1.00 31.50 H new ATOM 0 HD11 ILE A 105 -3.058 1.635 -2.187 1.00 5.43 H new ATOM 0 HD12 ILE A 105 -3.467 3.021 -1.148 1.00 5.43 H new ATOM 0 HD13 ILE A 105 -4.755 1.955 -1.758 1.00 5.43 H new ATOM 1661 N VAL A 106 -6.999 6.684 -4.801 1.00 42.52 N ATOM 1662 CA VAL A 106 -7.921 7.819 -4.617 1.00 74.20 C ATOM 1663 C VAL A 106 -9.351 7.333 -4.319 1.00 55.41 C ATOM 1664 O VAL A 106 -9.594 6.133 -4.233 1.00 51.52 O ATOM 1665 CB VAL A 106 -7.940 8.738 -5.869 1.00 5.33 C ATOM 1666 CG1 VAL A 106 -6.564 9.366 -6.100 1.00 11.44 C ATOM 1667 CG2 VAL A 106 -8.398 7.960 -7.104 1.00 54.25 C ATOM 0 H VAL A 106 -7.272 6.041 -5.544 1.00 42.52 H new ATOM 0 HA VAL A 106 -7.556 8.391 -3.764 1.00 74.20 H new ATOM 0 HB VAL A 106 -8.654 9.542 -5.692 1.00 5.33 H new ATOM 0 HG11 VAL A 106 -6.599 10.006 -6.982 1.00 11.44 H new ATOM 0 HG12 VAL A 106 -6.285 9.961 -5.231 1.00 11.44 H new ATOM 0 HG13 VAL A 106 -5.826 8.579 -6.252 1.00 11.44 H new ATOM 0 HG21 VAL A 106 -8.404 8.622 -7.970 1.00 54.25 H new ATOM 0 HG22 VAL A 106 -7.714 7.131 -7.286 1.00 54.25 H new ATOM 0 HG23 VAL A 106 -9.403 7.571 -6.937 1.00 54.25 H new ATOM 1677 N LEU A 107 -10.292 8.262 -4.144 1.00 74.30 N ATOM 1678 CA LEU A 107 -11.697 7.904 -3.881 1.00 44.52 C ATOM 1679 C LEU A 107 -12.431 7.471 -5.165 1.00 0.40 C ATOM 1680 O LEU A 107 -12.149 7.969 -6.253 1.00 20.54 O ATOM 1681 CB LEU A 107 -12.437 9.079 -3.221 1.00 5.14 C ATOM 1682 CG LEU A 107 -11.920 9.488 -1.829 1.00 70.33 C ATOM 1683 CD1 LEU A 107 -12.723 10.663 -1.278 1.00 2.23 C ATOM 1684 CD2 LEU A 107 -11.969 8.301 -0.868 1.00 21.12 C ATOM 0 H LEU A 107 -10.113 9.266 -4.178 1.00 74.30 H new ATOM 0 HA LEU A 107 -11.692 7.054 -3.199 1.00 44.52 H new ATOM 0 HB2 LEU A 107 -12.373 9.943 -3.882 1.00 5.14 H new ATOM 0 HB3 LEU A 107 -13.492 8.820 -3.136 1.00 5.14 H new ATOM 0 HG LEU A 107 -10.882 9.804 -1.929 1.00 70.33 H new ATOM 0 HD11 LEU A 107 -12.341 10.935 -0.294 1.00 2.23 H new ATOM 0 HD12 LEU A 107 -12.630 11.515 -1.952 1.00 2.23 H new ATOM 0 HD13 LEU A 107 -13.772 10.379 -1.194 1.00 2.23 H new ATOM 0 HD21 LEU A 107 -11.600 8.609 0.110 1.00 21.12 H new ATOM 0 HD22 LEU A 107 -12.997 7.951 -0.774 1.00 21.12 H new ATOM 0 HD23 LEU A 107 -11.345 7.495 -1.254 1.00 21.12 H new ATOM 1696 N THR A 108 -13.383 6.546 -5.024 1.00 23.33 N ATOM 1697 CA THR A 108 -14.119 6.002 -6.179 1.00 11.44 C ATOM 1698 C THR A 108 -15.117 7.015 -6.767 1.00 32.33 C ATOM 1699 O THR A 108 -15.760 7.771 -6.038 1.00 10.11 O ATOM 1700 CB THR A 108 -14.886 4.706 -5.813 1.00 13.31 C ATOM 1701 OG1 THR A 108 -14.042 3.825 -5.056 1.00 4.24 O ATOM 1702 CG2 THR A 108 -15.371 3.979 -7.066 1.00 21.22 C ATOM 0 H THR A 108 -13.666 6.155 -4.125 1.00 23.33 H new ATOM 0 HA THR A 108 -13.361 5.777 -6.929 1.00 11.44 H new ATOM 0 HB THR A 108 -15.751 4.992 -5.215 1.00 13.31 H new ATOM 0 HG1 THR A 108 -14.538 3.011 -4.830 1.00 4.24 H new ATOM 0 HG21 THR A 108 -15.905 3.074 -6.778 1.00 21.22 H new ATOM 0 HG22 THR A 108 -16.039 4.631 -7.629 1.00 21.22 H new ATOM 0 HG23 THR A 108 -14.515 3.713 -7.686 1.00 21.22 H new