USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 32 GLN : amide:sc= 0.543 K(o=0.72,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 129:sc= 0.178 USER MOD Single : A 19 GLN : amide:sc= -0.0194 K(o=-0.019,f=-0.59) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 82:sc= 0.547 USER MOD Single : A 34 SER OG : rot 57:sc= 0.586 USER MOD Single : A 41 ASN : amide:sc= -0.534 K(o=-0.53,f=-9.8!) USER MOD Single : A 44 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.58) USER MOD Single : A 47 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0366) USER MOD Single : A 53 GLN : amide:sc= 0.845 K(o=0.84,f=-0.019) USER MOD Single : A 58 SER OG : rot 91:sc= 0.387 USER MOD Single : A 61 TYR OH : rot -156:sc= 0.0457 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.474 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.545 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.324 USER MOD Single : A 83 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.0049) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= -0.0233 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 16.044 8.871 5.413 1.00 65.23 N ATOM 262 CA GLN A 19 14.643 9.084 5.798 1.00 73.44 C ATOM 263 C GLN A 19 14.105 7.891 6.607 1.00 10.02 C ATOM 264 O GLN A 19 14.581 6.763 6.460 1.00 32.35 O ATOM 265 CB GLN A 19 13.773 9.295 4.548 1.00 12.01 C ATOM 266 CG GLN A 19 14.151 10.515 3.713 1.00 3.05 C ATOM 267 CD GLN A 19 13.953 11.828 4.454 1.00 3.05 C ATOM 268 OE1 GLN A 19 13.098 11.948 5.325 1.00 54.32 O ATOM 269 NE2 GLN A 19 14.726 12.833 4.095 1.00 73.41 N ATOM 0 HA GLN A 19 14.599 9.976 6.423 1.00 73.44 H new ATOM 0 HB2 GLN A 19 13.839 8.406 3.920 1.00 12.01 H new ATOM 0 HB3 GLN A 19 12.732 9.390 4.857 1.00 12.01 H new ATOM 0 HG2 GLN A 19 15.194 10.430 3.408 1.00 3.05 H new ATOM 0 HG3 GLN A 19 13.552 10.525 2.802 1.00 3.05 H new ATOM 0 HE21 GLN A 19 15.428 12.702 3.367 1.00 73.41 H new ATOM 0 HE22 GLN A 19 14.622 13.742 4.545 1.00 73.41 H new ATOM 278 N ALA A 20 13.116 8.141 7.461 1.00 21.32 N ATOM 279 CA ALA A 20 12.500 7.081 8.271 1.00 3.52 C ATOM 280 C ALA A 20 11.046 6.817 7.843 1.00 23.23 C ATOM 281 O ALA A 20 10.289 7.753 7.574 1.00 43.01 O ATOM 282 CB ALA A 20 12.556 7.450 9.751 1.00 65.01 C ATOM 0 H ALA A 20 12.720 9.068 7.614 1.00 21.32 H new ATOM 0 HA ALA A 20 13.067 6.164 8.109 1.00 3.52 H new ATOM 0 HB1 ALA A 20 12.097 6.657 10.341 1.00 65.01 H new ATOM 0 HB2 ALA A 20 13.595 7.574 10.056 1.00 65.01 H new ATOM 0 HB3 ALA A 20 12.016 8.383 9.914 1.00 65.01 H new ATOM 288 N PHE A 21 10.662 5.540 7.784 1.00 13.40 N ATOM 289 CA PHE A 21 9.295 5.149 7.410 1.00 44.15 C ATOM 290 C PHE A 21 8.306 5.366 8.570 1.00 1.35 C ATOM 291 O PHE A 21 8.385 4.683 9.595 1.00 42.42 O ATOM 292 CB PHE A 21 9.260 3.671 6.994 1.00 71.21 C ATOM 293 CG PHE A 21 10.037 3.357 5.739 1.00 51.40 C ATOM 294 CD1 PHE A 21 9.580 3.781 4.500 1.00 5.35 C ATOM 295 CD2 PHE A 21 11.219 2.626 5.796 1.00 50.43 C ATOM 296 CE1 PHE A 21 10.284 3.487 3.348 1.00 73.42 C ATOM 297 CE2 PHE A 21 11.923 2.332 4.645 1.00 41.24 C ATOM 298 CZ PHE A 21 11.455 2.762 3.422 1.00 44.11 C ATOM 0 H PHE A 21 11.279 4.754 7.991 1.00 13.40 H new ATOM 0 HA PHE A 21 8.994 5.780 6.573 1.00 44.15 H new ATOM 0 HB2 PHE A 21 9.654 3.067 7.811 1.00 71.21 H new ATOM 0 HB3 PHE A 21 8.222 3.372 6.848 1.00 71.21 H new ATOM 0 HD1 PHE A 21 8.663 4.348 4.435 1.00 5.35 H new ATOM 0 HD2 PHE A 21 11.590 2.285 6.751 1.00 50.43 H new ATOM 0 HE1 PHE A 21 9.917 3.825 2.390 1.00 73.42 H new ATOM 0 HE2 PHE A 21 12.840 1.765 4.703 1.00 41.24 H new ATOM 0 HZ PHE A 21 12.005 2.531 2.522 1.00 44.11 H new ATOM 308 N PRO A 22 7.355 6.312 8.439 1.00 15.52 N ATOM 309 CA PRO A 22 6.340 6.526 9.471 1.00 13.54 C ATOM 310 C PRO A 22 5.190 5.511 9.365 1.00 54.13 C ATOM 311 O PRO A 22 4.248 5.691 8.592 1.00 12.51 O ATOM 312 CB PRO A 22 5.851 7.949 9.176 1.00 74.15 C ATOM 313 CG PRO A 22 6.018 8.104 7.695 1.00 72.12 C ATOM 314 CD PRO A 22 7.199 7.245 7.302 1.00 44.31 C ATOM 0 HA PRO A 22 6.730 6.399 10.481 1.00 13.54 H new ATOM 0 HB2 PRO A 22 4.811 8.081 9.474 1.00 74.15 H new ATOM 0 HB3 PRO A 22 6.435 8.690 9.721 1.00 74.15 H new ATOM 0 HG2 PRO A 22 5.117 7.789 7.168 1.00 72.12 H new ATOM 0 HG3 PRO A 22 6.193 9.147 7.432 1.00 72.12 H new ATOM 0 HD2 PRO A 22 7.012 6.711 6.370 1.00 44.31 H new ATOM 0 HD3 PRO A 22 8.097 7.845 7.151 1.00 44.31 H new ATOM 322 N ARG A 23 5.256 4.452 10.167 1.00 74.23 N ATOM 323 CA ARG A 23 4.259 3.379 10.094 1.00 14.11 C ATOM 324 C ARG A 23 2.997 3.716 10.900 1.00 73.41 C ATOM 325 O ARG A 23 1.922 3.182 10.630 1.00 32.42 O ATOM 326 CB ARG A 23 4.861 2.037 10.540 1.00 72.43 C ATOM 327 CG ARG A 23 5.466 2.040 11.941 1.00 44.20 C ATOM 328 CD ARG A 23 6.074 0.685 12.295 1.00 52.11 C ATOM 329 NE ARG A 23 6.650 0.678 13.638 1.00 50.33 N ATOM 330 CZ ARG A 23 7.311 -0.323 14.155 1.00 54.02 C ATOM 331 NH1 ARG A 23 7.506 -1.408 13.485 1.00 64.31 N ATOM 332 NH2 ARG A 23 7.775 -0.231 15.357 1.00 63.35 N ATOM 0 H ARG A 23 5.981 4.311 10.870 1.00 74.23 H new ATOM 0 HA ARG A 23 3.958 3.285 9.051 1.00 14.11 H new ATOM 0 HB2 ARG A 23 4.084 1.274 10.497 1.00 72.43 H new ATOM 0 HB3 ARG A 23 5.633 1.746 9.827 1.00 72.43 H new ATOM 0 HG2 ARG A 23 6.234 2.811 12.005 1.00 44.20 H new ATOM 0 HG3 ARG A 23 4.696 2.295 12.669 1.00 44.20 H new ATOM 0 HD2 ARG A 23 5.307 -0.086 12.226 1.00 52.11 H new ATOM 0 HD3 ARG A 23 6.846 0.433 11.568 1.00 52.11 H new ATOM 0 HE ARG A 23 6.527 1.513 14.211 1.00 50.33 H new ATOM 0 HH11 ARG A 23 7.142 -1.494 12.536 1.00 64.31 H new ATOM 0 HH12 ARG A 23 8.024 -2.180 13.904 1.00 64.31 H new ATOM 0 HH21 ARG A 23 7.625 0.621 15.898 1.00 63.35 H new ATOM 0 HH22 ARG A 23 8.292 -1.010 15.765 1.00 63.35 H new ATOM 346 N LYS A 24 3.129 4.618 11.875 1.00 61.14 N ATOM 347 CA LYS A 24 1.979 5.071 12.675 1.00 53.53 C ATOM 348 C LYS A 24 0.857 5.628 11.779 1.00 3.50 C ATOM 349 O LYS A 24 -0.327 5.429 12.051 1.00 55.21 O ATOM 350 CB LYS A 24 2.419 6.140 13.689 1.00 60.52 C ATOM 351 CG LYS A 24 3.429 5.641 14.722 1.00 62.14 C ATOM 352 CD LYS A 24 3.757 6.716 15.759 1.00 32.42 C ATOM 353 CE LYS A 24 4.400 7.950 15.133 1.00 20.23 C ATOM 354 NZ LYS A 24 4.632 9.023 16.138 1.00 31.13 N ATOM 0 H LYS A 24 4.016 5.051 12.132 1.00 61.14 H new ATOM 0 HA LYS A 24 1.588 4.207 13.212 1.00 53.53 H new ATOM 0 HB2 LYS A 24 2.853 6.981 13.149 1.00 60.52 H new ATOM 0 HB3 LYS A 24 1.538 6.516 14.210 1.00 60.52 H new ATOM 0 HG2 LYS A 24 3.030 4.760 15.225 1.00 62.14 H new ATOM 0 HG3 LYS A 24 4.344 5.332 14.216 1.00 62.14 H new ATOM 0 HD2 LYS A 24 2.843 7.009 16.277 1.00 32.42 H new ATOM 0 HD3 LYS A 24 4.429 6.300 16.509 1.00 32.42 H new ATOM 0 HE2 LYS A 24 5.348 7.672 14.673 1.00 20.23 H new ATOM 0 HE3 LYS A 24 3.759 8.330 14.337 1.00 20.23 H new ATOM 0 HZ1 LYS A 24 5.070 9.844 15.674 1.00 31.13 H new ATOM 0 HZ2 LYS A 24 3.724 9.306 16.559 1.00 31.13 H new ATOM 0 HZ3 LYS A 24 5.264 8.669 16.884 1.00 31.13 H new ATOM 368 N PHE A 25 1.240 6.322 10.710 1.00 60.23 N ATOM 369 CA PHE A 25 0.271 6.885 9.760 1.00 61.23 C ATOM 370 C PHE A 25 -0.063 5.889 8.637 1.00 43.34 C ATOM 371 O PHE A 25 -1.234 5.650 8.333 1.00 63.44 O ATOM 372 CB PHE A 25 0.816 8.180 9.146 1.00 3.22 C ATOM 373 CG PHE A 25 1.063 9.279 10.153 1.00 61.04 C ATOM 374 CD1 PHE A 25 0.047 10.155 10.504 1.00 70.04 C ATOM 375 CD2 PHE A 25 2.310 9.433 10.745 1.00 1.43 C ATOM 376 CE1 PHE A 25 0.267 11.162 11.425 1.00 31.31 C ATOM 377 CE2 PHE A 25 2.534 10.440 11.664 1.00 31.12 C ATOM 378 CZ PHE A 25 1.512 11.304 12.005 1.00 4.43 C ATOM 0 H PHE A 25 2.215 6.511 10.476 1.00 60.23 H new ATOM 0 HA PHE A 25 -0.643 7.098 10.314 1.00 61.23 H new ATOM 0 HB2 PHE A 25 1.749 7.960 8.627 1.00 3.22 H new ATOM 0 HB3 PHE A 25 0.111 8.540 8.396 1.00 3.22 H new ATOM 0 HD1 PHE A 25 -0.928 10.049 10.052 1.00 70.04 H new ATOM 0 HD2 PHE A 25 3.112 8.759 10.484 1.00 1.43 H new ATOM 0 HE1 PHE A 25 -0.534 11.837 11.690 1.00 31.31 H new ATOM 0 HE2 PHE A 25 3.509 10.552 12.116 1.00 31.12 H new ATOM 0 HZ PHE A 25 1.686 12.090 12.725 1.00 4.43 H new ATOM 388 N VAL A 26 0.973 5.312 8.026 1.00 32.11 N ATOM 389 CA VAL A 26 0.800 4.406 6.884 1.00 4.45 C ATOM 390 C VAL A 26 -0.069 3.181 7.231 1.00 22.22 C ATOM 391 O VAL A 26 -1.016 2.865 6.510 1.00 55.51 O ATOM 392 CB VAL A 26 2.169 3.936 6.326 1.00 31.00 C ATOM 393 CG1 VAL A 26 1.979 2.962 5.165 1.00 52.15 C ATOM 394 CG2 VAL A 26 3.013 5.134 5.893 1.00 65.33 C ATOM 0 H VAL A 26 1.944 5.455 8.302 1.00 32.11 H new ATOM 0 HA VAL A 26 0.279 4.979 6.117 1.00 4.45 H new ATOM 0 HB VAL A 26 2.698 3.413 7.122 1.00 31.00 H new ATOM 0 HG11 VAL A 26 2.953 2.647 4.791 1.00 52.15 H new ATOM 0 HG12 VAL A 26 1.423 2.090 5.509 1.00 52.15 H new ATOM 0 HG13 VAL A 26 1.425 3.453 4.365 1.00 52.15 H new ATOM 0 HG21 VAL A 26 3.969 4.784 5.505 1.00 65.33 H new ATOM 0 HG22 VAL A 26 2.487 5.688 5.116 1.00 65.33 H new ATOM 0 HG23 VAL A 26 3.186 5.786 6.749 1.00 65.33 H new ATOM 404 N LEU A 27 0.244 2.501 8.336 1.00 44.35 N ATOM 405 CA LEU A 27 -0.541 1.333 8.765 1.00 31.34 C ATOM 406 C LEU A 27 -1.995 1.726 9.078 1.00 41.44 C ATOM 407 O LEU A 27 -2.931 0.990 8.760 1.00 51.22 O ATOM 408 CB LEU A 27 0.101 0.663 9.990 1.00 62.41 C ATOM 409 CG LEU A 27 1.499 0.062 9.755 1.00 25.53 C ATOM 410 CD1 LEU A 27 2.061 -0.533 11.048 1.00 74.32 C ATOM 411 CD2 LEU A 27 1.457 -0.988 8.647 1.00 43.53 C ATOM 0 H LEU A 27 1.027 2.733 8.947 1.00 44.35 H new ATOM 0 HA LEU A 27 -0.548 0.620 7.941 1.00 31.34 H new ATOM 0 HB2 LEU A 27 0.170 1.399 10.791 1.00 62.41 H new ATOM 0 HB3 LEU A 27 -0.562 -0.128 10.340 1.00 62.41 H new ATOM 0 HG LEU A 27 2.164 0.865 9.437 1.00 25.53 H new ATOM 0 HD11 LEU A 27 3.049 -0.951 10.857 1.00 74.32 H new ATOM 0 HD12 LEU A 27 2.138 0.248 11.805 1.00 74.32 H new ATOM 0 HD13 LEU A 27 1.397 -1.320 11.405 1.00 74.32 H new ATOM 0 HD21 LEU A 27 2.455 -1.399 8.498 1.00 43.53 H new ATOM 0 HD22 LEU A 27 0.773 -1.788 8.930 1.00 43.53 H new ATOM 0 HD23 LEU A 27 1.112 -0.527 7.721 1.00 43.53 H new ATOM 423 N ALA A 28 -2.170 2.897 9.688 1.00 0.21 N ATOM 424 CA ALA A 28 -3.504 3.426 9.991 1.00 73.40 C ATOM 425 C ALA A 28 -4.313 3.674 8.709 1.00 62.43 C ATOM 426 O ALA A 28 -5.501 3.364 8.636 1.00 50.12 O ATOM 427 CB ALA A 28 -3.387 4.713 10.801 1.00 3.42 C ATOM 0 H ALA A 28 -1.403 3.501 9.984 1.00 0.21 H new ATOM 0 HA ALA A 28 -4.036 2.680 10.581 1.00 73.40 H new ATOM 0 HB1 ALA A 28 -4.383 5.097 11.020 1.00 3.42 H new ATOM 0 HB2 ALA A 28 -2.863 4.509 11.735 1.00 3.42 H new ATOM 0 HB3 ALA A 28 -2.831 5.454 10.228 1.00 3.42 H new ATOM 433 N ALA A 29 -3.661 4.244 7.699 1.00 71.41 N ATOM 434 CA ALA A 29 -4.293 4.461 6.393 1.00 42.31 C ATOM 435 C ALA A 29 -4.553 3.127 5.673 1.00 25.44 C ATOM 436 O ALA A 29 -5.541 2.968 4.954 1.00 61.35 O ATOM 437 CB ALA A 29 -3.422 5.369 5.530 1.00 30.22 C ATOM 0 H ALA A 29 -2.695 4.565 7.756 1.00 71.41 H new ATOM 0 HA ALA A 29 -5.255 4.946 6.559 1.00 42.31 H new ATOM 0 HB1 ALA A 29 -3.902 5.522 4.563 1.00 30.22 H new ATOM 0 HB2 ALA A 29 -3.293 6.330 6.028 1.00 30.22 H new ATOM 0 HB3 ALA A 29 -2.447 4.904 5.381 1.00 30.22 H new ATOM 443 N LEU A 30 -3.654 2.173 5.890 1.00 71.11 N ATOM 444 CA LEU A 30 -3.743 0.845 5.281 1.00 72.12 C ATOM 445 C LEU A 30 -5.008 0.097 5.743 1.00 21.52 C ATOM 446 O LEU A 30 -5.838 -0.297 4.922 1.00 11.14 O ATOM 447 CB LEU A 30 -2.477 0.049 5.629 1.00 74.25 C ATOM 448 CG LEU A 30 -2.357 -1.348 4.998 1.00 3.20 C ATOM 449 CD1 LEU A 30 -2.449 -1.271 3.476 1.00 52.54 C ATOM 450 CD2 LEU A 30 -1.048 -2.007 5.426 1.00 34.44 C ATOM 0 H LEU A 30 -2.841 2.296 6.493 1.00 71.11 H new ATOM 0 HA LEU A 30 -3.817 0.956 4.199 1.00 72.12 H new ATOM 0 HB2 LEU A 30 -1.610 0.636 5.328 1.00 74.25 H new ATOM 0 HB3 LEU A 30 -2.428 -0.059 6.712 1.00 74.25 H new ATOM 0 HG LEU A 30 -3.188 -1.958 5.352 1.00 3.20 H new ATOM 0 HD11 LEU A 30 -2.361 -2.273 3.055 1.00 52.54 H new ATOM 0 HD12 LEU A 30 -3.409 -0.840 3.191 1.00 52.54 H new ATOM 0 HD13 LEU A 30 -1.643 -0.645 3.094 1.00 52.54 H new ATOM 0 HD21 LEU A 30 -0.973 -2.996 4.973 1.00 34.44 H new ATOM 0 HD22 LEU A 30 -0.208 -1.394 5.099 1.00 34.44 H new ATOM 0 HD23 LEU A 30 -1.027 -2.102 6.512 1.00 34.44 H new ATOM 462 N GLU A 31 -5.164 -0.074 7.058 1.00 70.33 N ATOM 463 CA GLU A 31 -6.333 -0.776 7.613 1.00 54.55 C ATOM 464 C GLU A 31 -7.656 -0.081 7.235 1.00 32.44 C ATOM 465 O GLU A 31 -8.666 -0.742 6.973 1.00 43.12 O ATOM 466 CB GLU A 31 -6.224 -0.893 9.145 1.00 32.50 C ATOM 467 CG GLU A 31 -6.014 0.441 9.859 1.00 42.21 C ATOM 468 CD GLU A 31 -6.143 0.338 11.373 1.00 53.01 C ATOM 469 OE1 GLU A 31 -5.409 -0.462 11.988 1.00 74.10 O ATOM 470 OE2 GLU A 31 -6.985 1.058 11.951 1.00 34.42 O ATOM 0 H GLU A 31 -4.502 0.260 7.758 1.00 70.33 H new ATOM 0 HA GLU A 31 -6.341 -1.775 7.176 1.00 54.55 H new ATOM 0 HB2 GLU A 31 -7.132 -1.359 9.529 1.00 32.50 H new ATOM 0 HB3 GLU A 31 -5.396 -1.558 9.390 1.00 32.50 H new ATOM 0 HG2 GLU A 31 -5.025 0.827 9.611 1.00 42.21 H new ATOM 0 HG3 GLU A 31 -6.741 1.163 9.487 1.00 42.21 H new ATOM 477 N GLN A 32 -7.647 1.250 7.203 1.00 12.34 N ATOM 478 CA GLN A 32 -8.843 2.027 6.853 1.00 21.43 C ATOM 479 C GLN A 32 -9.174 1.931 5.350 1.00 24.13 C ATOM 480 O GLN A 32 -10.284 2.256 4.930 1.00 34.12 O ATOM 481 CB GLN A 32 -8.669 3.494 7.269 1.00 53.51 C ATOM 482 CG GLN A 32 -8.543 3.690 8.778 1.00 34.40 C ATOM 483 CD GLN A 32 -8.432 5.152 9.176 1.00 65.41 C ATOM 484 OE1 GLN A 32 -9.426 5.816 9.446 1.00 54.33 O ATOM 485 NE2 GLN A 32 -7.219 5.665 9.223 1.00 14.13 N ATOM 0 H GLN A 32 -6.826 1.817 7.415 1.00 12.34 H new ATOM 0 HA GLN A 32 -9.682 1.598 7.401 1.00 21.43 H new ATOM 0 HB2 GLN A 32 -7.781 3.898 6.783 1.00 53.51 H new ATOM 0 HB3 GLN A 32 -9.521 4.069 6.906 1.00 53.51 H new ATOM 0 HG2 GLN A 32 -9.410 3.249 9.270 1.00 34.40 H new ATOM 0 HG3 GLN A 32 -7.665 3.153 9.137 1.00 34.40 H new ATOM 0 HE21 GLN A 32 -6.411 5.086 8.993 1.00 14.13 H new ATOM 0 HE22 GLN A 32 -7.088 6.641 9.490 1.00 14.13 H new ATOM 494 N SER A 33 -8.207 1.487 4.548 1.00 14.43 N ATOM 495 CA SER A 33 -8.425 1.285 3.103 1.00 61.21 C ATOM 496 C SER A 33 -8.654 -0.198 2.775 1.00 5.11 C ATOM 497 O SER A 33 -8.713 -0.587 1.607 1.00 71.35 O ATOM 498 CB SER A 33 -7.219 1.797 2.303 1.00 61.12 C ATOM 499 OG SER A 33 -7.003 3.182 2.517 1.00 45.42 O ATOM 0 H SER A 33 -7.265 1.259 4.866 1.00 14.43 H new ATOM 0 HA SER A 33 -9.316 1.848 2.825 1.00 61.21 H new ATOM 0 HB2 SER A 33 -6.327 1.240 2.591 1.00 61.12 H new ATOM 0 HB3 SER A 33 -7.381 1.613 1.241 1.00 61.12 H new ATOM 0 HG SER A 33 -6.509 3.311 3.354 1.00 45.42 H new ATOM 505 N SER A 34 -8.785 -1.019 3.815 1.00 13.11 N ATOM 506 CA SER A 34 -8.897 -2.477 3.655 1.00 4.32 C ATOM 507 C SER A 34 -10.346 -2.951 3.478 1.00 73.11 C ATOM 508 O SER A 34 -11.300 -2.199 3.696 1.00 3.04 O ATOM 509 CB SER A 34 -8.276 -3.192 4.864 1.00 42.32 C ATOM 510 OG SER A 34 -6.882 -2.938 4.962 1.00 71.24 O ATOM 0 H SER A 34 -8.817 -0.702 4.784 1.00 13.11 H new ATOM 0 HA SER A 34 -8.356 -2.730 2.743 1.00 4.32 H new ATOM 0 HB2 SER A 34 -8.772 -2.862 5.777 1.00 42.32 H new ATOM 0 HB3 SER A 34 -8.446 -4.265 4.779 1.00 42.32 H new ATOM 0 HG SER A 34 -6.728 -1.971 5.009 1.00 71.24 H new ATOM 516 N ASP A 35 -10.495 -4.205 3.052 1.00 34.04 N ATOM 517 CA ASP A 35 -11.802 -4.863 2.967 1.00 65.24 C ATOM 518 C ASP A 35 -12.111 -5.646 4.261 1.00 1.55 C ATOM 519 O ASP A 35 -11.367 -5.571 5.240 1.00 2.42 O ATOM 520 CB ASP A 35 -11.833 -5.822 1.767 1.00 62.42 C ATOM 521 CG ASP A 35 -11.631 -5.115 0.436 1.00 51.22 C ATOM 522 OD1 ASP A 35 -12.454 -4.241 0.092 1.00 63.30 O ATOM 523 OD2 ASP A 35 -10.662 -5.436 -0.279 1.00 74.25 O ATOM 0 H ASP A 35 -9.716 -4.794 2.756 1.00 34.04 H new ATOM 0 HA ASP A 35 -12.561 -4.092 2.837 1.00 65.24 H new ATOM 0 HB2 ASP A 35 -11.057 -6.577 1.892 1.00 62.42 H new ATOM 0 HB3 ASP A 35 -12.789 -6.346 1.752 1.00 62.42 H new ATOM 528 N ASP A 36 -13.207 -6.406 4.241 1.00 63.12 N ATOM 529 CA ASP A 36 -13.636 -7.236 5.382 1.00 32.25 C ATOM 530 C ASP A 36 -12.488 -8.067 5.999 1.00 53.41 C ATOM 531 O ASP A 36 -12.378 -8.181 7.222 1.00 71.32 O ATOM 532 CB ASP A 36 -14.767 -8.163 4.918 1.00 21.11 C ATOM 533 CG ASP A 36 -15.239 -9.119 6.000 1.00 3.41 C ATOM 534 OD1 ASP A 36 -15.953 -8.677 6.920 1.00 10.50 O ATOM 535 OD2 ASP A 36 -14.905 -10.321 5.929 1.00 3.15 O ATOM 0 H ASP A 36 -13.828 -6.468 3.434 1.00 63.12 H new ATOM 0 HA ASP A 36 -13.980 -6.564 6.168 1.00 32.25 H new ATOM 0 HB2 ASP A 36 -15.610 -7.558 4.584 1.00 21.11 H new ATOM 0 HB3 ASP A 36 -14.426 -8.738 4.057 1.00 21.11 H new ATOM 540 N ALA A 37 -11.635 -8.637 5.153 1.00 14.12 N ATOM 541 CA ALA A 37 -10.561 -9.530 5.615 1.00 73.23 C ATOM 542 C ALA A 37 -9.270 -8.776 5.993 1.00 33.12 C ATOM 543 O ALA A 37 -8.266 -9.396 6.351 1.00 43.22 O ATOM 544 CB ALA A 37 -10.266 -10.571 4.543 1.00 21.44 C ATOM 0 H ALA A 37 -11.661 -8.500 4.143 1.00 14.12 H new ATOM 0 HA ALA A 37 -10.915 -10.015 6.524 1.00 73.23 H new ATOM 0 HB1 ALA A 37 -9.470 -11.232 4.887 1.00 21.44 H new ATOM 0 HB2 ALA A 37 -11.164 -11.156 4.347 1.00 21.44 H new ATOM 0 HB3 ALA A 37 -9.952 -10.071 3.627 1.00 21.44 H new ATOM 550 N GLY A 38 -9.293 -7.447 5.916 1.00 14.32 N ATOM 551 CA GLY A 38 -8.106 -6.656 6.239 1.00 3.05 C ATOM 552 C GLY A 38 -7.104 -6.561 5.088 1.00 55.33 C ATOM 553 O GLY A 38 -5.904 -6.407 5.314 1.00 41.15 O ATOM 0 H GLY A 38 -10.108 -6.901 5.637 1.00 14.32 H new ATOM 0 HA2 GLY A 38 -8.416 -5.651 6.524 1.00 3.05 H new ATOM 0 HA3 GLY A 38 -7.611 -7.095 7.105 1.00 3.05 H new ATOM 557 N TRP A 39 -7.597 -6.675 3.854 1.00 10.33 N ATOM 558 CA TRP A 39 -6.765 -6.481 2.654 1.00 33.54 C ATOM 559 C TRP A 39 -7.105 -5.155 1.959 1.00 70.12 C ATOM 560 O TRP A 39 -8.258 -4.908 1.608 1.00 60.11 O ATOM 561 CB TRP A 39 -6.955 -7.636 1.659 1.00 61.02 C ATOM 562 CG TRP A 39 -6.369 -8.940 2.113 1.00 24.42 C ATOM 563 CD1 TRP A 39 -7.016 -9.957 2.754 1.00 74.22 C ATOM 564 CD2 TRP A 39 -5.010 -9.363 1.957 1.00 61.24 C ATOM 565 NE1 TRP A 39 -6.142 -10.988 3.002 1.00 64.43 N ATOM 566 CE2 TRP A 39 -4.905 -10.649 2.519 1.00 3.13 C ATOM 567 CE3 TRP A 39 -3.873 -8.783 1.392 1.00 23.13 C ATOM 568 CZ2 TRP A 39 -3.710 -11.361 2.534 1.00 34.14 C ATOM 569 CZ3 TRP A 39 -2.685 -9.489 1.406 1.00 32.44 C ATOM 570 CH2 TRP A 39 -2.611 -10.769 1.971 1.00 74.10 C ATOM 0 H TRP A 39 -8.571 -6.901 3.654 1.00 10.33 H new ATOM 0 HA TRP A 39 -5.725 -6.458 2.980 1.00 33.54 H new ATOM 0 HB2 TRP A 39 -8.021 -7.773 1.478 1.00 61.02 H new ATOM 0 HB3 TRP A 39 -6.503 -7.359 0.707 1.00 61.02 H new ATOM 0 HD1 TRP A 39 -8.061 -9.952 3.026 1.00 74.22 H new ATOM 0 HE1 TRP A 39 -6.376 -11.864 3.470 1.00 64.43 H new ATOM 0 HE3 TRP A 39 -3.921 -7.798 0.951 1.00 23.13 H new ATOM 0 HZ2 TRP A 39 -3.651 -12.346 2.974 1.00 34.14 H new ATOM 0 HZ3 TRP A 39 -1.799 -9.047 0.974 1.00 32.44 H new ATOM 0 HH2 TRP A 39 -1.670 -11.299 1.962 1.00 74.10 H new ATOM 581 N ALA A 40 -6.098 -4.313 1.751 1.00 11.22 N ATOM 582 CA ALA A 40 -6.294 -3.008 1.112 1.00 74.12 C ATOM 583 C ALA A 40 -5.729 -2.984 -0.313 1.00 1.15 C ATOM 584 O ALA A 40 -4.545 -3.240 -0.527 1.00 22.30 O ATOM 585 CB ALA A 40 -5.642 -1.910 1.949 1.00 60.23 C ATOM 0 H ALA A 40 -5.132 -4.508 2.015 1.00 11.22 H new ATOM 0 HA ALA A 40 -7.367 -2.829 1.049 1.00 74.12 H new ATOM 0 HB1 ALA A 40 -5.794 -0.945 1.465 1.00 60.23 H new ATOM 0 HB2 ALA A 40 -6.092 -1.893 2.941 1.00 60.23 H new ATOM 0 HB3 ALA A 40 -4.574 -2.107 2.039 1.00 60.23 H new ATOM 591 N ASN A 41 -6.580 -2.671 -1.283 1.00 21.22 N ATOM 592 CA ASN A 41 -6.155 -2.568 -2.682 1.00 34.23 C ATOM 593 C ASN A 41 -5.135 -1.427 -2.856 1.00 24.23 C ATOM 594 O ASN A 41 -5.330 -0.328 -2.332 1.00 23.43 O ATOM 595 CB ASN A 41 -7.384 -2.332 -3.579 1.00 75.12 C ATOM 596 CG ASN A 41 -7.067 -2.362 -5.068 1.00 3.34 C ATOM 597 OD1 ASN A 41 -5.978 -2.001 -5.499 1.00 52.35 O ATOM 598 ND2 ASN A 41 -8.022 -2.786 -5.872 1.00 74.44 N ATOM 0 H ASN A 41 -7.571 -2.483 -1.130 1.00 21.22 H new ATOM 0 HA ASN A 41 -5.673 -3.501 -2.975 1.00 34.23 H new ATOM 0 HB2 ASN A 41 -8.134 -3.092 -3.360 1.00 75.12 H new ATOM 0 HB3 ASN A 41 -7.826 -1.367 -3.329 1.00 75.12 H new ATOM 0 HD21 ASN A 41 -7.863 -2.819 -6.879 1.00 74.44 H new ATOM 0 HD22 ASN A 41 -8.919 -3.081 -5.487 1.00 74.44 H new ATOM 605 N LEU A 42 -4.061 -1.698 -3.599 1.00 14.22 N ATOM 606 CA LEU A 42 -3.002 -0.708 -3.861 1.00 61.11 C ATOM 607 C LEU A 42 -3.580 0.659 -4.275 1.00 71.41 C ATOM 608 O LEU A 42 -3.068 1.713 -3.880 1.00 12.22 O ATOM 609 CB LEU A 42 -2.068 -1.231 -4.965 1.00 71.15 C ATOM 610 CG LEU A 42 -0.905 -0.299 -5.350 1.00 21.32 C ATOM 611 CD1 LEU A 42 0.056 -0.100 -4.179 1.00 32.24 C ATOM 612 CD2 LEU A 42 -0.165 -0.837 -6.572 1.00 73.50 C ATOM 0 H LEU A 42 -3.896 -2.604 -4.037 1.00 14.22 H new ATOM 0 HA LEU A 42 -2.445 -0.565 -2.935 1.00 61.11 H new ATOM 0 HB2 LEU A 42 -1.653 -2.186 -4.643 1.00 71.15 H new ATOM 0 HB3 LEU A 42 -2.663 -1.427 -5.857 1.00 71.15 H new ATOM 0 HG LEU A 42 -1.326 0.674 -5.604 1.00 21.32 H new ATOM 0 HD11 LEU A 42 0.867 0.563 -4.482 1.00 32.24 H new ATOM 0 HD12 LEU A 42 -0.480 0.343 -3.340 1.00 32.24 H new ATOM 0 HD13 LEU A 42 0.468 -1.063 -3.879 1.00 32.24 H new ATOM 0 HD21 LEU A 42 0.653 -0.164 -6.828 1.00 73.50 H new ATOM 0 HD22 LEU A 42 0.235 -1.826 -6.349 1.00 73.50 H new ATOM 0 HD23 LEU A 42 -0.854 -0.906 -7.414 1.00 73.50 H new ATOM 624 N GLY A 43 -4.649 0.630 -5.074 1.00 0.10 N ATOM 625 CA GLY A 43 -5.323 1.857 -5.490 1.00 15.13 C ATOM 626 C GLY A 43 -5.929 2.628 -4.321 1.00 44.00 C ATOM 627 O GLY A 43 -5.792 3.852 -4.235 1.00 60.50 O ATOM 0 H GLY A 43 -5.063 -0.226 -5.443 1.00 0.10 H new ATOM 0 HA2 GLY A 43 -4.611 2.498 -6.011 1.00 15.13 H new ATOM 0 HA3 GLY A 43 -6.110 1.609 -6.202 1.00 15.13 H new ATOM 631 N ASN A 44 -6.591 1.914 -3.415 1.00 24.42 N ATOM 632 CA ASN A 44 -7.208 2.533 -2.237 1.00 42.40 C ATOM 633 C ASN A 44 -6.141 3.007 -1.238 1.00 51.21 C ATOM 634 O ASN A 44 -6.221 4.115 -0.704 1.00 1.11 O ATOM 635 CB ASN A 44 -8.155 1.538 -1.557 1.00 61.31 C ATOM 636 CG ASN A 44 -9.302 1.116 -2.455 1.00 2.21 C ATOM 637 OD1 ASN A 44 -9.768 1.882 -3.294 1.00 3.12 O ATOM 638 ND2 ASN A 44 -9.771 -0.103 -2.290 1.00 60.24 N ATOM 0 H ASN A 44 -6.716 0.903 -3.471 1.00 24.42 H new ATOM 0 HA ASN A 44 -7.775 3.403 -2.569 1.00 42.40 H new ATOM 0 HB2 ASN A 44 -7.592 0.655 -1.254 1.00 61.31 H new ATOM 0 HB3 ASN A 44 -8.556 1.987 -0.648 1.00 61.31 H new ATOM 0 HD21 ASN A 44 -10.543 -0.435 -2.868 1.00 60.24 H new ATOM 0 HD22 ASN A 44 -9.362 -0.716 -1.584 1.00 60.24 H new ATOM 645 N PHE A 45 -5.138 2.160 -1.012 1.00 72.50 N ATOM 646 CA PHE A 45 -4.039 2.459 -0.088 1.00 72.12 C ATOM 647 C PHE A 45 -3.391 3.822 -0.389 1.00 11.43 C ATOM 648 O PHE A 45 -3.382 4.711 0.462 1.00 72.35 O ATOM 649 CB PHE A 45 -2.990 1.340 -0.158 1.00 25.42 C ATOM 650 CG PHE A 45 -1.742 1.600 0.656 1.00 74.33 C ATOM 651 CD1 PHE A 45 -1.820 1.829 2.023 1.00 72.23 C ATOM 652 CD2 PHE A 45 -0.490 1.602 0.052 1.00 21.54 C ATOM 653 CE1 PHE A 45 -0.678 2.054 2.768 1.00 41.40 C ATOM 654 CE2 PHE A 45 0.653 1.829 0.796 1.00 31.21 C ATOM 655 CZ PHE A 45 0.559 2.053 2.154 1.00 10.32 C ATOM 0 H PHE A 45 -5.062 1.248 -1.462 1.00 72.50 H new ATOM 0 HA PHE A 45 -4.450 2.513 0.920 1.00 72.12 H new ATOM 0 HB2 PHE A 45 -3.445 0.411 0.184 1.00 25.42 H new ATOM 0 HB3 PHE A 45 -2.705 1.191 -1.199 1.00 25.42 H new ATOM 0 HD1 PHE A 45 -2.784 1.831 2.510 1.00 72.23 H new ATOM 0 HD2 PHE A 45 -0.409 1.424 -1.010 1.00 21.54 H new ATOM 0 HE1 PHE A 45 -0.753 2.231 3.831 1.00 41.40 H new ATOM 0 HE2 PHE A 45 1.619 1.831 0.314 1.00 31.21 H new ATOM 0 HZ PHE A 45 1.452 2.227 2.736 1.00 10.32 H new ATOM 665 N GLY A 46 -2.863 3.981 -1.604 1.00 11.54 N ATOM 666 CA GLY A 46 -2.223 5.238 -1.989 1.00 34.32 C ATOM 667 C GLY A 46 -3.159 6.443 -1.909 1.00 21.55 C ATOM 668 O GLY A 46 -2.742 7.547 -1.557 1.00 2.45 O ATOM 0 H GLY A 46 -2.866 3.264 -2.330 1.00 11.54 H new ATOM 0 HA2 GLY A 46 -1.362 5.412 -1.343 1.00 34.32 H new ATOM 0 HA3 GLY A 46 -1.845 5.148 -3.007 1.00 34.32 H new ATOM 672 N ASN A 47 -4.434 6.217 -2.220 1.00 63.54 N ATOM 673 CA ASN A 47 -5.444 7.280 -2.221 1.00 3.42 C ATOM 674 C ASN A 47 -5.649 7.853 -0.805 1.00 31.25 C ATOM 675 O ASN A 47 -5.557 9.066 -0.591 1.00 4.34 O ATOM 676 CB ASN A 47 -6.770 6.725 -2.769 1.00 24.22 C ATOM 677 CG ASN A 47 -7.814 7.797 -3.048 1.00 63.02 C ATOM 678 OD1 ASN A 47 -7.857 8.842 -2.406 1.00 2.44 O ATOM 679 ND2 ASN A 47 -8.672 7.540 -4.013 1.00 50.44 N ATOM 0 H ASN A 47 -4.797 5.299 -2.477 1.00 63.54 H new ATOM 0 HA ASN A 47 -5.096 8.091 -2.861 1.00 3.42 H new ATOM 0 HB2 ASN A 47 -6.571 6.176 -3.689 1.00 24.22 H new ATOM 0 HB3 ASN A 47 -7.178 6.011 -2.054 1.00 24.22 H new ATOM 0 HD21 ASN A 47 -9.398 8.219 -4.244 1.00 50.44 H new ATOM 0 HD22 ASN A 47 -8.611 6.662 -4.529 1.00 50.44 H new ATOM 686 N TYR A 48 -5.921 6.971 0.156 1.00 41.44 N ATOM 687 CA TYR A 48 -6.180 7.383 1.539 1.00 62.42 C ATOM 688 C TYR A 48 -4.882 7.759 2.274 1.00 62.01 C ATOM 689 O TYR A 48 -4.874 8.651 3.125 1.00 72.25 O ATOM 690 CB TYR A 48 -6.912 6.261 2.288 1.00 31.35 C ATOM 691 CG TYR A 48 -7.527 6.702 3.602 1.00 51.54 C ATOM 692 CD1 TYR A 48 -8.691 7.458 3.617 1.00 11.33 C ATOM 693 CD2 TYR A 48 -6.947 6.368 4.822 1.00 73.00 C ATOM 694 CE1 TYR A 48 -9.259 7.869 4.804 1.00 62.34 C ATOM 695 CE2 TYR A 48 -7.511 6.774 6.014 1.00 62.23 C ATOM 696 CZ TYR A 48 -8.668 7.524 6.000 1.00 40.12 C ATOM 697 OH TYR A 48 -9.236 7.929 7.187 1.00 12.30 O ATOM 0 H TYR A 48 -5.968 5.964 0.004 1.00 41.44 H new ATOM 0 HA TYR A 48 -6.810 8.272 1.513 1.00 62.42 H new ATOM 0 HB2 TYR A 48 -7.697 5.861 1.646 1.00 31.35 H new ATOM 0 HB3 TYR A 48 -6.212 5.448 2.480 1.00 31.35 H new ATOM 0 HD1 TYR A 48 -9.160 7.729 2.683 1.00 11.33 H new ATOM 0 HD2 TYR A 48 -6.040 5.781 4.836 1.00 73.00 H new ATOM 0 HE1 TYR A 48 -10.164 8.459 4.797 1.00 62.34 H new ATOM 0 HE2 TYR A 48 -7.049 6.506 6.953 1.00 62.23 H new ATOM 0 HH TYR A 48 -9.344 7.155 7.779 1.00 12.30 H new ATOM 707 N LEU A 49 -3.786 7.082 1.936 1.00 65.51 N ATOM 708 CA LEU A 49 -2.483 7.359 2.553 1.00 32.31 C ATOM 709 C LEU A 49 -2.053 8.816 2.335 1.00 54.11 C ATOM 710 O LEU A 49 -1.669 9.506 3.281 1.00 32.11 O ATOM 711 CB LEU A 49 -1.413 6.409 1.991 1.00 11.41 C ATOM 712 CG LEU A 49 0.019 6.645 2.509 1.00 41.33 C ATOM 713 CD1 LEU A 49 0.084 6.511 4.027 1.00 3.35 C ATOM 714 CD2 LEU A 49 1.003 5.687 1.838 1.00 74.42 C ATOM 0 H LEU A 49 -3.771 6.337 1.239 1.00 65.51 H new ATOM 0 HA LEU A 49 -2.585 7.194 3.626 1.00 32.31 H new ATOM 0 HB2 LEU A 49 -1.702 5.384 2.226 1.00 11.41 H new ATOM 0 HB3 LEU A 49 -1.407 6.498 0.905 1.00 11.41 H new ATOM 0 HG LEU A 49 0.304 7.665 2.250 1.00 41.33 H new ATOM 0 HD11 LEU A 49 1.106 6.683 4.364 1.00 3.35 H new ATOM 0 HD12 LEU A 49 -0.578 7.246 4.486 1.00 3.35 H new ATOM 0 HD13 LEU A 49 -0.230 5.509 4.318 1.00 3.35 H new ATOM 0 HD21 LEU A 49 2.008 5.872 2.219 1.00 74.42 H new ATOM 0 HD22 LEU A 49 0.716 4.658 2.056 1.00 74.42 H new ATOM 0 HD23 LEU A 49 0.989 5.847 0.760 1.00 74.42 H new ATOM 726 N ASN A 50 -2.137 9.281 1.090 1.00 23.53 N ATOM 727 CA ASN A 50 -1.715 10.642 0.742 1.00 0.22 C ATOM 728 C ASN A 50 -2.542 11.706 1.494 1.00 53.30 C ATOM 729 O ASN A 50 -2.078 12.825 1.706 1.00 22.52 O ATOM 730 CB ASN A 50 -1.811 10.847 -0.775 1.00 71.30 C ATOM 731 CG ASN A 50 -1.160 12.139 -1.234 1.00 63.35 C ATOM 732 OD1 ASN A 50 -1.815 13.165 -1.386 1.00 61.24 O ATOM 733 ND2 ASN A 50 0.138 12.097 -1.449 1.00 25.05 N ATOM 0 H ASN A 50 -2.493 8.738 0.304 1.00 23.53 H new ATOM 0 HA ASN A 50 -0.677 10.765 1.052 1.00 0.22 H new ATOM 0 HB2 ASN A 50 -1.337 10.006 -1.282 1.00 71.30 H new ATOM 0 HB3 ASN A 50 -2.860 10.848 -1.072 1.00 71.30 H new ATOM 0 HD21 ASN A 50 0.632 12.936 -1.753 1.00 25.05 H new ATOM 0 HD22 ASN A 50 0.650 11.225 -1.312 1.00 25.05 H new ATOM 740 N LYS A 51 -3.760 11.344 1.907 1.00 3.31 N ATOM 741 CA LYS A 51 -4.597 12.238 2.722 1.00 50.43 C ATOM 742 C LYS A 51 -3.935 12.533 4.075 1.00 4.34 C ATOM 743 O LYS A 51 -3.942 13.671 4.553 1.00 12.33 O ATOM 744 CB LYS A 51 -5.981 11.613 2.966 1.00 43.10 C ATOM 745 CG LYS A 51 -6.809 11.392 1.702 1.00 45.00 C ATOM 746 CD LYS A 51 -8.141 10.710 2.019 1.00 20.42 C ATOM 747 CE LYS A 51 -8.992 11.530 2.988 1.00 44.35 C ATOM 748 NZ LYS A 51 -9.389 12.842 2.414 1.00 35.31 N ATOM 0 H LYS A 51 -4.189 10.444 1.693 1.00 3.31 H new ATOM 0 HA LYS A 51 -4.711 13.171 2.170 1.00 50.43 H new ATOM 0 HB2 LYS A 51 -5.849 10.656 3.471 1.00 43.10 H new ATOM 0 HB3 LYS A 51 -6.542 12.256 3.644 1.00 43.10 H new ATOM 0 HG2 LYS A 51 -6.996 12.349 1.215 1.00 45.00 H new ATOM 0 HG3 LYS A 51 -6.244 10.781 0.998 1.00 45.00 H new ATOM 0 HD2 LYS A 51 -8.696 10.553 1.094 1.00 20.42 H new ATOM 0 HD3 LYS A 51 -7.951 9.726 2.448 1.00 20.42 H new ATOM 0 HE2 LYS A 51 -9.886 10.965 3.251 1.00 44.35 H new ATOM 0 HE3 LYS A 51 -8.435 11.693 3.910 1.00 44.35 H new ATOM 0 HZ1 LYS A 51 -10.047 13.320 3.063 1.00 35.31 H new ATOM 0 HZ2 LYS A 51 -8.544 13.433 2.281 1.00 35.31 H new ATOM 0 HZ3 LYS A 51 -9.855 12.693 1.496 1.00 35.31 H new ATOM 762 N LEU A 52 -3.370 11.497 4.692 1.00 31.13 N ATOM 763 CA LEU A 52 -2.729 11.630 6.005 1.00 43.43 C ATOM 764 C LEU A 52 -1.269 12.093 5.871 1.00 24.45 C ATOM 765 O LEU A 52 -0.778 12.893 6.671 1.00 54.21 O ATOM 766 CB LEU A 52 -2.785 10.291 6.756 1.00 60.04 C ATOM 767 CG LEU A 52 -4.189 9.674 6.908 1.00 25.20 C ATOM 768 CD1 LEU A 52 -4.127 8.383 7.723 1.00 72.11 C ATOM 769 CD2 LEU A 52 -5.156 10.672 7.544 1.00 50.43 C ATOM 0 H LEU A 52 -3.342 10.553 4.306 1.00 31.13 H new ATOM 0 HA LEU A 52 -3.274 12.387 6.569 1.00 43.43 H new ATOM 0 HB2 LEU A 52 -2.147 9.576 6.236 1.00 60.04 H new ATOM 0 HB3 LEU A 52 -2.360 10.434 7.750 1.00 60.04 H new ATOM 0 HG LEU A 52 -4.562 9.430 5.913 1.00 25.20 H new ATOM 0 HD11 LEU A 52 -5.129 7.964 7.818 1.00 72.11 H new ATOM 0 HD12 LEU A 52 -3.480 7.665 7.219 1.00 72.11 H new ATOM 0 HD13 LEU A 52 -3.728 8.597 8.714 1.00 72.11 H new ATOM 0 HD21 LEU A 52 -6.140 10.214 7.641 1.00 50.43 H new ATOM 0 HD22 LEU A 52 -4.789 10.956 8.530 1.00 50.43 H new ATOM 0 HD23 LEU A 52 -5.229 11.559 6.915 1.00 50.43 H new ATOM 781 N GLN A 53 -0.581 11.581 4.852 1.00 63.13 N ATOM 782 CA GLN A 53 0.831 11.908 4.612 1.00 63.41 C ATOM 783 C GLN A 53 1.088 12.322 3.149 1.00 63.33 C ATOM 784 O GLN A 53 1.588 11.532 2.349 1.00 63.23 O ATOM 785 CB GLN A 53 1.726 10.706 4.975 1.00 75.11 C ATOM 786 CG GLN A 53 1.789 10.391 6.467 1.00 52.52 C ATOM 787 CD GLN A 53 2.512 11.462 7.267 1.00 40.13 C ATOM 788 OE1 GLN A 53 3.725 11.419 7.432 1.00 65.45 O ATOM 789 NE2 GLN A 53 1.775 12.431 7.771 1.00 24.02 N ATOM 0 H GLN A 53 -0.979 10.933 4.172 1.00 63.13 H new ATOM 0 HA GLN A 53 1.079 12.757 5.249 1.00 63.41 H new ATOM 0 HB2 GLN A 53 1.362 9.825 4.446 1.00 75.11 H new ATOM 0 HB3 GLN A 53 2.736 10.900 4.615 1.00 75.11 H new ATOM 0 HG2 GLN A 53 0.776 10.278 6.853 1.00 52.52 H new ATOM 0 HG3 GLN A 53 2.293 9.435 6.611 1.00 52.52 H new ATOM 0 HE21 GLN A 53 0.767 12.438 7.616 1.00 24.02 H new ATOM 0 HE22 GLN A 53 2.213 13.174 8.316 1.00 24.02 H new ATOM 798 N PRO A 54 0.747 13.571 2.772 1.00 60.13 N ATOM 799 CA PRO A 54 1.047 14.097 1.425 1.00 65.51 C ATOM 800 C PRO A 54 2.553 14.345 1.228 1.00 54.43 C ATOM 801 O PRO A 54 3.028 14.579 0.113 1.00 32.24 O ATOM 802 CB PRO A 54 0.262 15.417 1.381 1.00 53.44 C ATOM 803 CG PRO A 54 0.156 15.838 2.809 1.00 50.31 C ATOM 804 CD PRO A 54 0.035 14.564 3.606 1.00 72.31 C ATOM 0 HA PRO A 54 0.770 13.401 0.633 1.00 65.51 H new ATOM 0 HB2 PRO A 54 0.780 16.167 0.784 1.00 53.44 H new ATOM 0 HB3 PRO A 54 -0.722 15.278 0.934 1.00 53.44 H new ATOM 0 HG2 PRO A 54 1.033 16.408 3.114 1.00 50.31 H new ATOM 0 HG3 PRO A 54 -0.711 16.480 2.964 1.00 50.31 H new ATOM 0 HD2 PRO A 54 0.490 14.662 4.592 1.00 72.31 H new ATOM 0 HD3 PRO A 54 -1.007 14.285 3.762 1.00 72.31 H new ATOM 812 N ASP A 55 3.290 14.286 2.336 1.00 74.05 N ATOM 813 CA ASP A 55 4.738 14.498 2.348 1.00 53.52 C ATOM 814 C ASP A 55 5.500 13.171 2.169 1.00 64.35 C ATOM 815 O ASP A 55 6.720 13.157 1.999 1.00 13.32 O ATOM 816 CB ASP A 55 5.121 15.156 3.678 1.00 3.44 C ATOM 817 CG ASP A 55 6.579 15.565 3.746 1.00 12.54 C ATOM 818 OD1 ASP A 55 6.963 16.524 3.047 1.00 63.04 O ATOM 819 OD2 ASP A 55 7.343 14.943 4.514 1.00 24.30 O ATOM 0 H ASP A 55 2.898 14.089 3.257 1.00 74.05 H new ATOM 0 HA ASP A 55 5.013 15.145 1.515 1.00 53.52 H new ATOM 0 HB2 ASP A 55 4.496 16.036 3.833 1.00 3.44 H new ATOM 0 HB3 ASP A 55 4.906 14.465 4.493 1.00 3.44 H new ATOM 824 N PHE A 56 4.772 12.057 2.205 1.00 34.41 N ATOM 825 CA PHE A 56 5.382 10.730 2.086 1.00 45.42 C ATOM 826 C PHE A 56 5.345 10.240 0.633 1.00 13.40 C ATOM 827 O PHE A 56 4.307 9.794 0.141 1.00 72.20 O ATOM 828 CB PHE A 56 4.662 9.733 3.009 1.00 41.45 C ATOM 829 CG PHE A 56 5.244 8.340 2.995 1.00 33.42 C ATOM 830 CD1 PHE A 56 6.463 8.076 3.606 1.00 35.42 C ATOM 831 CD2 PHE A 56 4.572 7.293 2.372 1.00 43.51 C ATOM 832 CE1 PHE A 56 6.997 6.802 3.596 1.00 22.21 C ATOM 833 CE2 PHE A 56 5.104 6.018 2.361 1.00 21.42 C ATOM 834 CZ PHE A 56 6.318 5.773 2.972 1.00 73.33 C ATOM 0 H PHE A 56 3.758 12.045 2.316 1.00 34.41 H new ATOM 0 HA PHE A 56 6.426 10.802 2.391 1.00 45.42 H new ATOM 0 HB2 PHE A 56 4.690 10.115 4.029 1.00 41.45 H new ATOM 0 HB3 PHE A 56 3.613 9.679 2.718 1.00 41.45 H new ATOM 0 HD1 PHE A 56 7.000 8.876 4.095 1.00 35.42 H new ATOM 0 HD2 PHE A 56 3.623 7.479 1.891 1.00 43.51 H new ATOM 0 HE1 PHE A 56 7.945 6.610 4.076 1.00 22.21 H new ATOM 0 HE2 PHE A 56 4.571 5.214 1.875 1.00 21.42 H new ATOM 0 HZ PHE A 56 6.737 4.777 2.962 1.00 73.33 H new ATOM 844 N ASP A 57 6.481 10.338 -0.053 1.00 31.15 N ATOM 845 CA ASP A 57 6.576 9.944 -1.460 1.00 61.02 C ATOM 846 C ASP A 57 7.716 8.934 -1.685 1.00 21.31 C ATOM 847 O ASP A 57 8.789 9.041 -1.086 1.00 73.01 O ATOM 848 CB ASP A 57 6.778 11.186 -2.330 1.00 64.21 C ATOM 849 CG ASP A 57 6.665 10.872 -3.809 1.00 34.54 C ATOM 850 OD1 ASP A 57 5.542 10.589 -4.277 1.00 15.42 O ATOM 851 OD2 ASP A 57 7.692 10.903 -4.509 1.00 51.35 O ATOM 0 H ASP A 57 7.353 10.688 0.343 1.00 31.15 H new ATOM 0 HA ASP A 57 5.645 9.454 -1.744 1.00 61.02 H new ATOM 0 HB2 ASP A 57 6.037 11.940 -2.062 1.00 64.21 H new ATOM 0 HB3 ASP A 57 7.759 11.616 -2.125 1.00 64.21 H new ATOM 856 N SER A 58 7.473 7.962 -2.563 1.00 64.01 N ATOM 857 CA SER A 58 8.421 6.861 -2.812 1.00 75.13 C ATOM 858 C SER A 58 9.788 7.353 -3.314 1.00 35.35 C ATOM 859 O SER A 58 10.822 6.749 -3.011 1.00 30.43 O ATOM 860 CB SER A 58 7.836 5.881 -3.835 1.00 23.14 C ATOM 861 OG SER A 58 7.598 6.518 -5.083 1.00 63.20 O ATOM 0 H SER A 58 6.621 7.909 -3.122 1.00 64.01 H new ATOM 0 HA SER A 58 8.578 6.365 -1.854 1.00 75.13 H new ATOM 0 HB2 SER A 58 8.522 5.046 -3.976 1.00 23.14 H new ATOM 0 HB3 SER A 58 6.903 5.466 -3.452 1.00 23.14 H new ATOM 0 HG SER A 58 8.393 6.435 -5.650 1.00 63.20 H new ATOM 867 N ARG A 59 9.796 8.446 -4.078 1.00 41.31 N ATOM 868 CA ARG A 59 11.040 8.971 -4.661 1.00 61.13 C ATOM 869 C ARG A 59 12.057 9.347 -3.575 1.00 45.13 C ATOM 870 O ARG A 59 13.265 9.245 -3.784 1.00 73.15 O ATOM 871 CB ARG A 59 10.751 10.193 -5.545 1.00 11.35 C ATOM 872 CG ARG A 59 9.719 9.938 -6.638 1.00 33.33 C ATOM 873 CD ARG A 59 10.152 8.852 -7.616 1.00 25.12 C ATOM 874 NE ARG A 59 9.143 8.625 -8.645 1.00 14.03 N ATOM 875 CZ ARG A 59 9.187 9.132 -9.843 1.00 40.24 C ATOM 876 NH1 ARG A 59 10.177 9.889 -10.202 1.00 54.44 N ATOM 877 NH2 ARG A 59 8.235 8.891 -10.681 1.00 64.13 N ATOM 0 H ARG A 59 8.962 8.985 -4.309 1.00 41.31 H new ATOM 0 HA ARG A 59 11.470 8.179 -5.273 1.00 61.13 H new ATOM 0 HB2 ARG A 59 10.402 11.011 -4.914 1.00 11.35 H new ATOM 0 HB3 ARG A 59 11.681 10.522 -6.008 1.00 11.35 H new ATOM 0 HG2 ARG A 59 8.773 9.651 -6.179 1.00 33.33 H new ATOM 0 HG3 ARG A 59 9.540 10.863 -7.185 1.00 33.33 H new ATOM 0 HD2 ARG A 59 11.093 9.138 -8.085 1.00 25.12 H new ATOM 0 HD3 ARG A 59 10.335 7.924 -7.074 1.00 25.12 H new ATOM 0 HE ARG A 59 8.350 8.029 -8.410 1.00 14.03 H new ATOM 0 HH11 ARG A 59 10.929 10.091 -9.544 1.00 54.44 H new ATOM 0 HH12 ARG A 59 10.203 10.282 -11.143 1.00 54.44 H new ATOM 0 HH21 ARG A 59 7.449 8.303 -10.404 1.00 64.13 H new ATOM 0 HH22 ARG A 59 8.269 9.288 -11.620 1.00 64.13 H new ATOM 891 N LEU A 60 11.559 9.759 -2.410 1.00 43.21 N ATOM 892 CA LEU A 60 12.422 10.157 -1.286 1.00 3.12 C ATOM 893 C LEU A 60 13.353 9.014 -0.846 1.00 5.23 C ATOM 894 O LEU A 60 14.448 9.253 -0.333 1.00 41.35 O ATOM 895 CB LEU A 60 11.563 10.607 -0.094 1.00 31.34 C ATOM 896 CG LEU A 60 10.597 11.771 -0.373 1.00 13.22 C ATOM 897 CD1 LEU A 60 9.759 12.086 0.867 1.00 30.45 C ATOM 898 CD2 LEU A 60 11.360 13.011 -0.842 1.00 44.30 C ATOM 0 H LEU A 60 10.560 9.828 -2.214 1.00 43.21 H new ATOM 0 HA LEU A 60 13.043 10.985 -1.629 1.00 3.12 H new ATOM 0 HB2 LEU A 60 10.983 9.753 0.256 1.00 31.34 H new ATOM 0 HB3 LEU A 60 12.227 10.897 0.721 1.00 31.34 H new ATOM 0 HG LEU A 60 9.922 11.468 -1.173 1.00 13.22 H new ATOM 0 HD11 LEU A 60 9.082 12.912 0.649 1.00 30.45 H new ATOM 0 HD12 LEU A 60 9.179 11.207 1.147 1.00 30.45 H new ATOM 0 HD13 LEU A 60 10.417 12.364 1.690 1.00 30.45 H new ATOM 0 HD21 LEU A 60 10.656 13.821 -1.033 1.00 44.30 H new ATOM 0 HD22 LEU A 60 12.065 13.318 -0.070 1.00 44.30 H new ATOM 0 HD23 LEU A 60 11.903 12.779 -1.758 1.00 44.30 H new ATOM 910 N TYR A 61 12.909 7.773 -1.051 1.00 74.51 N ATOM 911 CA TYR A 61 13.679 6.586 -0.647 1.00 12.31 C ATOM 912 C TYR A 61 14.337 5.890 -1.851 1.00 1.23 C ATOM 913 O TYR A 61 14.895 4.799 -1.720 1.00 41.04 O ATOM 914 CB TYR A 61 12.764 5.597 0.089 1.00 43.25 C ATOM 915 CG TYR A 61 12.108 6.174 1.330 1.00 3.03 C ATOM 916 CD1 TYR A 61 10.910 6.878 1.244 1.00 10.33 C ATOM 917 CD2 TYR A 61 12.689 6.022 2.583 1.00 63.02 C ATOM 918 CE1 TYR A 61 10.314 7.412 2.368 1.00 5.55 C ATOM 919 CE2 TYR A 61 12.096 6.550 3.713 1.00 1.35 C ATOM 920 CZ TYR A 61 10.910 7.246 3.599 1.00 62.12 C ATOM 921 OH TYR A 61 10.321 7.782 4.722 1.00 34.31 O ATOM 0 H TYR A 61 12.017 7.559 -1.496 1.00 74.51 H new ATOM 0 HA TYR A 61 14.475 6.920 0.018 1.00 12.31 H new ATOM 0 HB2 TYR A 61 11.987 5.257 -0.596 1.00 43.25 H new ATOM 0 HB3 TYR A 61 13.346 4.720 0.372 1.00 43.25 H new ATOM 0 HD1 TYR A 61 10.439 7.008 0.281 1.00 10.33 H new ATOM 0 HD2 TYR A 61 13.620 5.482 2.675 1.00 63.02 H new ATOM 0 HE1 TYR A 61 9.385 7.957 2.283 1.00 5.55 H new ATOM 0 HE2 TYR A 61 12.558 6.419 4.680 1.00 1.35 H new ATOM 0 HH TYR A 61 11.002 7.925 5.412 1.00 34.31 H new ATOM 931 N GLY A 62 14.270 6.528 -3.021 1.00 42.20 N ATOM 932 CA GLY A 62 14.868 5.961 -4.231 1.00 11.33 C ATOM 933 C GLY A 62 13.986 4.919 -4.924 1.00 33.12 C ATOM 934 O GLY A 62 14.490 4.013 -5.595 1.00 61.20 O ATOM 0 H GLY A 62 13.812 7.429 -3.156 1.00 42.20 H new ATOM 0 HA2 GLY A 62 15.081 6.768 -4.932 1.00 11.33 H new ATOM 0 HA3 GLY A 62 15.823 5.502 -3.973 1.00 11.33 H new ATOM 938 N TYR A 63 12.669 5.038 -4.763 1.00 35.32 N ATOM 939 CA TYR A 63 11.718 4.124 -5.411 1.00 32.31 C ATOM 940 C TYR A 63 10.890 4.843 -6.487 1.00 65.52 C ATOM 941 O TYR A 63 10.297 5.893 -6.229 1.00 1.15 O ATOM 942 CB TYR A 63 10.784 3.502 -4.365 1.00 23.31 C ATOM 943 CG TYR A 63 11.477 2.544 -3.410 1.00 12.22 C ATOM 944 CD1 TYR A 63 12.114 3.006 -2.264 1.00 63.20 C ATOM 945 CD2 TYR A 63 11.483 1.175 -3.653 1.00 3.13 C ATOM 946 CE1 TYR A 63 12.735 2.131 -1.389 1.00 30.24 C ATOM 947 CE2 TYR A 63 12.100 0.297 -2.786 1.00 42.21 C ATOM 948 CZ TYR A 63 12.725 0.778 -1.654 1.00 33.24 C ATOM 949 OH TYR A 63 13.333 -0.096 -0.775 1.00 5.45 O ATOM 0 H TYR A 63 12.231 5.759 -4.189 1.00 35.32 H new ATOM 0 HA TYR A 63 12.294 3.337 -5.897 1.00 32.31 H new ATOM 0 HB2 TYR A 63 10.318 4.301 -3.788 1.00 23.31 H new ATOM 0 HB3 TYR A 63 9.983 2.971 -4.878 1.00 23.31 H new ATOM 0 HD1 TYR A 63 12.125 4.065 -2.053 1.00 63.20 H new ATOM 0 HD2 TYR A 63 10.995 0.792 -4.537 1.00 3.13 H new ATOM 0 HE1 TYR A 63 13.225 2.507 -0.503 1.00 30.24 H new ATOM 0 HE2 TYR A 63 12.094 -0.763 -2.993 1.00 42.21 H new ATOM 0 HH TYR A 63 13.236 -1.013 -1.106 1.00 5.45 H new ATOM 959 N LYS A 64 10.835 4.257 -7.684 1.00 71.53 N ATOM 960 CA LYS A 64 10.118 4.858 -8.821 1.00 43.41 C ATOM 961 C LYS A 64 8.632 5.124 -8.512 1.00 65.12 C ATOM 962 O LYS A 64 8.063 6.110 -8.974 1.00 60.20 O ATOM 963 CB LYS A 64 10.222 3.952 -10.054 1.00 45.42 C ATOM 964 CG LYS A 64 11.650 3.697 -10.523 1.00 51.20 C ATOM 965 CD LYS A 64 11.676 2.831 -11.781 1.00 63.13 C ATOM 966 CE LYS A 64 13.095 2.499 -12.222 1.00 2.12 C ATOM 967 NZ LYS A 64 13.109 1.702 -13.476 1.00 73.22 N ATOM 0 H LYS A 64 11.279 3.363 -7.896 1.00 71.53 H new ATOM 0 HA LYS A 64 10.594 5.819 -9.017 1.00 43.41 H new ATOM 0 HB2 LYS A 64 9.749 2.996 -9.830 1.00 45.42 H new ATOM 0 HB3 LYS A 64 9.658 4.403 -10.871 1.00 45.42 H new ATOM 0 HG2 LYS A 64 12.144 4.648 -10.723 1.00 51.20 H new ATOM 0 HG3 LYS A 64 12.213 3.206 -9.729 1.00 51.20 H new ATOM 0 HD2 LYS A 64 11.130 1.906 -11.595 1.00 63.13 H new ATOM 0 HD3 LYS A 64 11.159 3.350 -12.588 1.00 63.13 H new ATOM 0 HE2 LYS A 64 13.655 3.422 -12.371 1.00 2.12 H new ATOM 0 HE3 LYS A 64 13.601 1.944 -11.432 1.00 2.12 H new ATOM 0 HZ1 LYS A 64 14.092 1.495 -13.745 1.00 73.22 H new ATOM 0 HZ2 LYS A 64 12.596 0.810 -13.326 1.00 73.22 H new ATOM 0 HZ3 LYS A 64 12.649 2.242 -14.236 1.00 73.22 H new ATOM 981 N LYS A 65 8.012 4.233 -7.738 1.00 23.05 N ATOM 982 CA LYS A 65 6.586 4.350 -7.409 1.00 31.51 C ATOM 983 C LYS A 65 6.246 3.630 -6.094 1.00 64.33 C ATOM 984 O LYS A 65 7.004 2.776 -5.629 1.00 5.32 O ATOM 985 CB LYS A 65 5.734 3.802 -8.568 1.00 75.21 C ATOM 986 CG LYS A 65 6.118 2.388 -9.010 1.00 71.44 C ATOM 987 CD LYS A 65 5.415 1.981 -10.308 1.00 62.13 C ATOM 988 CE LYS A 65 5.781 2.910 -11.464 1.00 43.13 C ATOM 989 NZ LYS A 65 5.145 2.495 -12.744 1.00 42.54 N ATOM 0 H LYS A 65 8.472 3.421 -7.326 1.00 23.05 H new ATOM 0 HA LYS A 65 6.356 5.406 -7.267 1.00 31.51 H new ATOM 0 HB2 LYS A 65 4.686 3.806 -8.268 1.00 75.21 H new ATOM 0 HB3 LYS A 65 5.824 4.475 -9.421 1.00 75.21 H new ATOM 0 HG2 LYS A 65 7.198 2.333 -9.150 1.00 71.44 H new ATOM 0 HG3 LYS A 65 5.862 1.680 -8.222 1.00 71.44 H new ATOM 0 HD2 LYS A 65 5.687 0.957 -10.564 1.00 62.13 H new ATOM 0 HD3 LYS A 65 4.336 1.995 -10.157 1.00 62.13 H new ATOM 0 HE2 LYS A 65 5.474 3.927 -11.221 1.00 43.13 H new ATOM 0 HE3 LYS A 65 6.864 2.925 -11.587 1.00 43.13 H new ATOM 0 HZ1 LYS A 65 5.422 3.154 -13.499 1.00 42.54 H new ATOM 0 HZ2 LYS A 65 5.457 1.534 -12.991 1.00 42.54 H new ATOM 0 HZ3 LYS A 65 4.111 2.506 -12.637 1.00 42.54 H new ATOM 1003 N LEU A 66 5.098 3.982 -5.506 1.00 35.11 N ATOM 1004 CA LEU A 66 4.680 3.444 -4.196 1.00 74.14 C ATOM 1005 C LEU A 66 4.647 1.905 -4.176 1.00 2.42 C ATOM 1006 O LEU A 66 5.080 1.281 -3.207 1.00 4.10 O ATOM 1007 CB LEU A 66 3.298 4.002 -3.817 1.00 54.44 C ATOM 1008 CG LEU A 66 2.756 3.553 -2.447 1.00 50.40 C ATOM 1009 CD1 LEU A 66 3.680 4.007 -1.317 1.00 51.44 C ATOM 1010 CD2 LEU A 66 1.338 4.078 -2.233 1.00 12.42 C ATOM 0 H LEU A 66 4.435 4.640 -5.915 1.00 35.11 H new ATOM 0 HA LEU A 66 5.423 3.762 -3.464 1.00 74.14 H new ATOM 0 HB2 LEU A 66 3.349 5.091 -3.829 1.00 54.44 H new ATOM 0 HB3 LEU A 66 2.583 3.708 -4.585 1.00 54.44 H new ATOM 0 HG LEU A 66 2.723 2.464 -2.435 1.00 50.40 H new ATOM 0 HD11 LEU A 66 3.274 3.677 -0.361 1.00 51.44 H new ATOM 0 HD12 LEU A 66 4.670 3.574 -1.460 1.00 51.44 H new ATOM 0 HD13 LEU A 66 3.756 5.094 -1.323 1.00 51.44 H new ATOM 0 HD21 LEU A 66 0.972 3.751 -1.260 1.00 12.42 H new ATOM 0 HD22 LEU A 66 1.344 5.167 -2.271 1.00 12.42 H new ATOM 0 HD23 LEU A 66 0.685 3.691 -3.015 1.00 12.42 H new ATOM 1022 N SER A 67 4.139 1.307 -5.249 1.00 43.20 N ATOM 1023 CA SER A 67 4.064 -0.158 -5.363 1.00 62.03 C ATOM 1024 C SER A 67 5.432 -0.818 -5.144 1.00 11.31 C ATOM 1025 O SER A 67 5.565 -1.737 -4.334 1.00 64.10 O ATOM 1026 CB SER A 67 3.515 -0.554 -6.739 1.00 71.24 C ATOM 1027 OG SER A 67 4.293 0.009 -7.783 1.00 12.15 O ATOM 0 H SER A 67 3.771 1.809 -6.057 1.00 43.20 H new ATOM 0 HA SER A 67 3.390 -0.512 -4.583 1.00 62.03 H new ATOM 0 HB2 SER A 67 3.508 -1.640 -6.832 1.00 71.24 H new ATOM 0 HB3 SER A 67 2.482 -0.220 -6.831 1.00 71.24 H new ATOM 0 HG SER A 67 3.922 -0.261 -8.649 1.00 12.15 H new ATOM 1033 N ASP A 68 6.443 -0.334 -5.868 1.00 3.13 N ATOM 1034 CA ASP A 68 7.803 -0.881 -5.774 1.00 23.43 C ATOM 1035 C ASP A 68 8.353 -0.757 -4.340 1.00 4.34 C ATOM 1036 O ASP A 68 9.097 -1.623 -3.867 1.00 44.14 O ATOM 1037 CB ASP A 68 8.728 -0.157 -6.761 1.00 4.23 C ATOM 1038 CG ASP A 68 10.071 -0.848 -6.921 1.00 32.01 C ATOM 1039 OD1 ASP A 68 10.091 -2.022 -7.355 1.00 51.13 O ATOM 1040 OD2 ASP A 68 11.109 -0.229 -6.626 1.00 51.31 O ATOM 0 H ASP A 68 6.348 0.438 -6.528 1.00 3.13 H new ATOM 0 HA ASP A 68 7.764 -1.940 -6.030 1.00 23.43 H new ATOM 0 HB2 ASP A 68 8.238 -0.095 -7.733 1.00 4.23 H new ATOM 0 HB3 ASP A 68 8.889 0.865 -6.419 1.00 4.23 H new ATOM 1045 N LEU A 69 7.971 0.322 -3.657 1.00 61.05 N ATOM 1046 CA LEU A 69 8.355 0.546 -2.259 1.00 32.12 C ATOM 1047 C LEU A 69 7.778 -0.538 -1.336 1.00 30.22 C ATOM 1048 O LEU A 69 8.514 -1.209 -0.607 1.00 62.51 O ATOM 1049 CB LEU A 69 7.867 1.932 -1.803 1.00 21.41 C ATOM 1050 CG LEU A 69 8.073 2.252 -0.311 1.00 72.41 C ATOM 1051 CD1 LEU A 69 9.554 2.249 0.052 1.00 64.14 C ATOM 1052 CD2 LEU A 69 7.428 3.588 0.050 1.00 1.33 C ATOM 0 H LEU A 69 7.391 1.062 -4.052 1.00 61.05 H new ATOM 0 HA LEU A 69 9.442 0.498 -2.196 1.00 32.12 H new ATOM 0 HB2 LEU A 69 8.381 2.691 -2.393 1.00 21.41 H new ATOM 0 HB3 LEU A 69 6.804 2.016 -2.031 1.00 21.41 H new ATOM 0 HG LEU A 69 7.585 1.470 0.270 1.00 72.41 H new ATOM 0 HD11 LEU A 69 9.669 2.478 1.111 1.00 64.14 H new ATOM 0 HD12 LEU A 69 9.977 1.266 -0.155 1.00 64.14 H new ATOM 0 HD13 LEU A 69 10.075 3.001 -0.541 1.00 64.14 H new ATOM 0 HD21 LEU A 69 7.586 3.794 1.109 1.00 1.33 H new ATOM 0 HD22 LEU A 69 7.879 4.382 -0.545 1.00 1.33 H new ATOM 0 HD23 LEU A 69 6.358 3.543 -0.155 1.00 1.33 H new ATOM 1064 N VAL A 70 6.460 -0.707 -1.383 1.00 52.32 N ATOM 1065 CA VAL A 70 5.764 -1.646 -0.496 1.00 22.12 C ATOM 1066 C VAL A 70 6.250 -3.095 -0.690 1.00 65.22 C ATOM 1067 O VAL A 70 6.533 -3.797 0.280 1.00 73.54 O ATOM 1068 CB VAL A 70 4.232 -1.587 -0.715 1.00 41.42 C ATOM 1069 CG1 VAL A 70 3.506 -2.537 0.235 1.00 24.43 C ATOM 1070 CG2 VAL A 70 3.718 -0.157 -0.550 1.00 35.10 C ATOM 0 H VAL A 70 5.847 -0.206 -2.026 1.00 52.32 H new ATOM 0 HA VAL A 70 5.997 -1.339 0.524 1.00 22.12 H new ATOM 0 HB VAL A 70 4.024 -1.909 -1.735 1.00 41.42 H new ATOM 0 HG11 VAL A 70 2.432 -2.476 0.060 1.00 24.43 H new ATOM 0 HG12 VAL A 70 3.845 -3.558 0.058 1.00 24.43 H new ATOM 0 HG13 VAL A 70 3.722 -2.256 1.266 1.00 24.43 H new ATOM 0 HG21 VAL A 70 2.640 -0.137 -0.708 1.00 35.10 H new ATOM 0 HG22 VAL A 70 3.944 0.197 0.456 1.00 35.10 H new ATOM 0 HG23 VAL A 70 4.203 0.491 -1.280 1.00 35.10 H new ATOM 1080 N LYS A 71 6.350 -3.538 -1.945 1.00 63.11 N ATOM 1081 CA LYS A 71 6.777 -4.914 -2.243 1.00 13.03 C ATOM 1082 C LYS A 71 8.253 -5.155 -1.879 1.00 3.31 C ATOM 1083 O LYS A 71 8.674 -6.298 -1.693 1.00 42.34 O ATOM 1084 CB LYS A 71 6.539 -5.249 -3.723 1.00 63.21 C ATOM 1085 CG LYS A 71 7.263 -4.321 -4.687 1.00 11.15 C ATOM 1086 CD LYS A 71 6.985 -4.681 -6.143 1.00 73.23 C ATOM 1087 CE LYS A 71 7.590 -6.027 -6.522 1.00 41.32 C ATOM 1088 NZ LYS A 71 7.437 -6.318 -7.973 1.00 14.23 N ATOM 0 H LYS A 71 6.144 -2.972 -2.768 1.00 63.11 H new ATOM 0 HA LYS A 71 6.171 -5.575 -1.624 1.00 13.03 H new ATOM 0 HB2 LYS A 71 6.860 -6.274 -3.910 1.00 63.21 H new ATOM 0 HB3 LYS A 71 5.469 -5.207 -3.928 1.00 63.21 H new ATOM 0 HG2 LYS A 71 6.953 -3.293 -4.502 1.00 11.15 H new ATOM 0 HG3 LYS A 71 8.336 -4.369 -4.500 1.00 11.15 H new ATOM 0 HD2 LYS A 71 5.908 -4.707 -6.311 1.00 73.23 H new ATOM 0 HD3 LYS A 71 7.390 -3.905 -6.792 1.00 73.23 H new ATOM 0 HE2 LYS A 71 8.648 -6.036 -6.260 1.00 41.32 H new ATOM 0 HE3 LYS A 71 7.112 -6.816 -5.942 1.00 41.32 H new ATOM 0 HZ1 LYS A 71 7.862 -7.243 -8.188 1.00 14.23 H new ATOM 0 HZ2 LYS A 71 6.427 -6.336 -8.219 1.00 14.23 H new ATOM 0 HZ3 LYS A 71 7.915 -5.580 -8.527 1.00 14.23 H new ATOM 1102 N ALA A 72 9.040 -4.085 -1.792 1.00 54.31 N ATOM 1103 CA ALA A 72 10.437 -4.191 -1.357 1.00 41.42 C ATOM 1104 C ALA A 72 10.535 -4.263 0.173 1.00 61.22 C ATOM 1105 O ALA A 72 11.351 -5.004 0.729 1.00 10.53 O ATOM 1106 CB ALA A 72 11.247 -3.010 -1.878 1.00 53.31 C ATOM 0 H ALA A 72 8.739 -3.136 -2.015 1.00 54.31 H new ATOM 0 HA ALA A 72 10.848 -5.112 -1.770 1.00 41.42 H new ATOM 0 HB1 ALA A 72 12.281 -3.104 -1.547 1.00 53.31 H new ATOM 0 HB2 ALA A 72 11.215 -2.999 -2.967 1.00 53.31 H new ATOM 0 HB3 ALA A 72 10.825 -2.081 -1.493 1.00 53.31 H new ATOM 1112 N ARG A 73 9.689 -3.491 0.849 1.00 21.43 N ATOM 1113 CA ARG A 73 9.686 -3.420 2.314 1.00 71.03 C ATOM 1114 C ARG A 73 8.598 -4.330 2.915 1.00 32.22 C ATOM 1115 O ARG A 73 7.805 -3.906 3.761 1.00 31.33 O ATOM 1116 CB ARG A 73 9.491 -1.962 2.761 1.00 54.05 C ATOM 1117 CG ARG A 73 10.563 -1.011 2.226 1.00 72.41 C ATOM 1118 CD ARG A 73 11.961 -1.407 2.697 1.00 53.44 C ATOM 1119 NE ARG A 73 13.006 -0.539 2.150 1.00 23.22 N ATOM 1120 CZ ARG A 73 14.058 -0.143 2.825 1.00 4.23 C ATOM 1121 NH1 ARG A 73 14.214 -0.488 4.065 1.00 23.52 N ATOM 1122 NH2 ARG A 73 14.956 0.590 2.255 1.00 73.13 N ATOM 0 H ARG A 73 8.988 -2.899 0.403 1.00 21.43 H new ATOM 0 HA ARG A 73 10.648 -3.778 2.682 1.00 71.03 H new ATOM 0 HB2 ARG A 73 8.512 -1.617 2.429 1.00 54.05 H new ATOM 0 HB3 ARG A 73 9.491 -1.921 3.850 1.00 54.05 H new ATOM 0 HG2 ARG A 73 10.534 -1.007 1.136 1.00 72.41 H new ATOM 0 HG3 ARG A 73 10.344 0.005 2.554 1.00 72.41 H new ATOM 0 HD2 ARG A 73 11.997 -1.371 3.786 1.00 53.44 H new ATOM 0 HD3 ARG A 73 12.160 -2.438 2.405 1.00 53.44 H new ATOM 0 HE ARG A 73 12.910 -0.223 1.185 1.00 23.22 H new ATOM 0 HH11 ARG A 73 13.515 -1.072 4.524 1.00 23.52 H new ATOM 0 HH12 ARG A 73 15.036 -0.175 4.582 1.00 23.52 H new ATOM 0 HH21 ARG A 73 14.847 0.862 1.278 1.00 73.13 H new ATOM 0 HH22 ARG A 73 15.774 0.897 2.782 1.00 73.13 H new ATOM 1136 N THR A 74 8.585 -5.596 2.486 1.00 22.33 N ATOM 1137 CA THR A 74 7.624 -6.594 2.993 1.00 50.52 C ATOM 1138 C THR A 74 7.822 -6.871 4.493 1.00 53.13 C ATOM 1139 O THR A 74 6.976 -7.485 5.145 1.00 4.21 O ATOM 1140 CB THR A 74 7.718 -7.932 2.220 1.00 63.50 C ATOM 1141 OG1 THR A 74 9.043 -8.479 2.321 1.00 2.31 O ATOM 1142 CG2 THR A 74 7.358 -7.740 0.749 1.00 24.43 C ATOM 0 H THR A 74 9.231 -5.960 1.785 1.00 22.33 H new ATOM 0 HA THR A 74 6.636 -6.162 2.838 1.00 50.52 H new ATOM 0 HB THR A 74 7.006 -8.625 2.668 1.00 63.50 H new ATOM 0 HG1 THR A 74 9.086 -9.325 1.829 1.00 2.31 H new ATOM 0 HG21 THR A 74 7.432 -8.695 0.229 1.00 24.43 H new ATOM 0 HG22 THR A 74 6.339 -7.362 0.670 1.00 24.43 H new ATOM 0 HG23 THR A 74 8.046 -7.026 0.296 1.00 24.43 H new ATOM 1150 N ASP A 75 8.957 -6.428 5.023 1.00 22.43 N ATOM 1151 CA ASP A 75 9.219 -6.459 6.465 1.00 61.00 C ATOM 1152 C ASP A 75 8.190 -5.599 7.228 1.00 71.35 C ATOM 1153 O ASP A 75 7.844 -5.884 8.378 1.00 74.50 O ATOM 1154 CB ASP A 75 10.644 -5.947 6.719 1.00 54.21 C ATOM 1155 CG ASP A 75 10.991 -5.846 8.194 1.00 2.12 C ATOM 1156 OD1 ASP A 75 11.048 -6.893 8.867 1.00 3.35 O ATOM 1157 OD2 ASP A 75 11.232 -4.717 8.682 1.00 20.13 O ATOM 0 H ASP A 75 9.721 -6.038 4.471 1.00 22.43 H new ATOM 0 HA ASP A 75 9.126 -7.482 6.828 1.00 61.00 H new ATOM 0 HB2 ASP A 75 11.355 -6.613 6.230 1.00 54.21 H new ATOM 0 HB3 ASP A 75 10.758 -4.966 6.258 1.00 54.21 H new ATOM 1162 N LEU A 76 7.705 -4.551 6.564 1.00 21.04 N ATOM 1163 CA LEU A 76 6.697 -3.647 7.129 1.00 2.33 C ATOM 1164 C LEU A 76 5.281 -4.047 6.691 1.00 71.31 C ATOM 1165 O LEU A 76 4.346 -4.052 7.494 1.00 62.41 O ATOM 1166 CB LEU A 76 6.973 -2.205 6.673 1.00 10.12 C ATOM 1167 CG LEU A 76 8.310 -1.604 7.136 1.00 42.13 C ATOM 1168 CD1 LEU A 76 8.569 -0.265 6.447 1.00 61.31 C ATOM 1169 CD2 LEU A 76 8.333 -1.442 8.657 1.00 40.02 C ATOM 0 H LEU A 76 7.998 -4.302 5.619 1.00 21.04 H new ATOM 0 HA LEU A 76 6.760 -3.716 8.215 1.00 2.33 H new ATOM 0 HB2 LEU A 76 6.940 -2.175 5.584 1.00 10.12 H new ATOM 0 HB3 LEU A 76 6.165 -1.568 7.034 1.00 10.12 H new ATOM 0 HG LEU A 76 9.107 -2.292 6.854 1.00 42.13 H new ATOM 0 HD11 LEU A 76 9.520 0.142 6.789 1.00 61.31 H new ATOM 0 HD12 LEU A 76 8.605 -0.412 5.368 1.00 61.31 H new ATOM 0 HD13 LEU A 76 7.767 0.431 6.692 1.00 61.31 H new ATOM 0 HD21 LEU A 76 9.288 -1.015 8.963 1.00 40.02 H new ATOM 0 HD22 LEU A 76 7.524 -0.779 8.965 1.00 40.02 H new ATOM 0 HD23 LEU A 76 8.203 -2.416 9.129 1.00 40.02 H new ATOM 1181 N PHE A 77 5.131 -4.370 5.406 1.00 72.34 N ATOM 1182 CA PHE A 77 3.812 -4.635 4.820 1.00 63.10 C ATOM 1183 C PHE A 77 3.739 -6.039 4.200 1.00 20.32 C ATOM 1184 O PHE A 77 4.683 -6.499 3.565 1.00 45.32 O ATOM 1185 CB PHE A 77 3.513 -3.588 3.735 1.00 11.10 C ATOM 1186 CG PHE A 77 3.766 -2.167 4.175 1.00 61.43 C ATOM 1187 CD1 PHE A 77 3.060 -1.618 5.235 1.00 51.54 C ATOM 1188 CD2 PHE A 77 4.720 -1.384 3.533 1.00 1.54 C ATOM 1189 CE1 PHE A 77 3.300 -0.321 5.646 1.00 2.55 C ATOM 1190 CE2 PHE A 77 4.959 -0.086 3.941 1.00 60.43 C ATOM 1191 CZ PHE A 77 4.251 0.445 4.998 1.00 32.55 C ATOM 0 H PHE A 77 5.906 -4.455 4.749 1.00 72.34 H new ATOM 0 HA PHE A 77 3.073 -4.576 5.619 1.00 63.10 H new ATOM 0 HB2 PHE A 77 4.125 -3.802 2.858 1.00 11.10 H new ATOM 0 HB3 PHE A 77 2.472 -3.684 3.428 1.00 11.10 H new ATOM 0 HD1 PHE A 77 2.315 -2.211 5.745 1.00 51.54 H new ATOM 0 HD2 PHE A 77 5.280 -1.796 2.706 1.00 1.54 H new ATOM 0 HE1 PHE A 77 2.745 0.095 6.474 1.00 2.55 H new ATOM 0 HE2 PHE A 77 5.700 0.512 3.432 1.00 60.43 H new ATOM 0 HZ PHE A 77 4.439 1.459 5.320 1.00 32.55 H new ATOM 1201 N VAL A 78 2.606 -6.707 4.373 1.00 62.14 N ATOM 1202 CA VAL A 78 2.370 -8.004 3.732 1.00 24.33 C ATOM 1203 C VAL A 78 1.791 -7.803 2.324 1.00 33.31 C ATOM 1204 O VAL A 78 0.738 -7.181 2.161 1.00 63.22 O ATOM 1205 CB VAL A 78 1.403 -8.883 4.563 1.00 12.51 C ATOM 1206 CG1 VAL A 78 1.167 -10.241 3.892 1.00 65.20 C ATOM 1207 CG2 VAL A 78 1.929 -9.058 5.986 1.00 72.13 C ATOM 0 H VAL A 78 1.833 -6.376 4.951 1.00 62.14 H new ATOM 0 HA VAL A 78 3.330 -8.516 3.667 1.00 24.33 H new ATOM 0 HB VAL A 78 0.441 -8.372 4.613 1.00 12.51 H new ATOM 0 HG11 VAL A 78 0.484 -10.834 4.501 1.00 65.20 H new ATOM 0 HG12 VAL A 78 0.733 -10.088 2.904 1.00 65.20 H new ATOM 0 HG13 VAL A 78 2.116 -10.768 3.794 1.00 65.20 H new ATOM 0 HG21 VAL A 78 1.237 -9.678 6.556 1.00 72.13 H new ATOM 0 HG22 VAL A 78 2.907 -9.539 5.956 1.00 72.13 H new ATOM 0 HG23 VAL A 78 2.019 -8.082 6.463 1.00 72.13 H new ATOM 1217 N THR A 79 2.477 -8.336 1.317 1.00 22.23 N ATOM 1218 CA THR A 79 2.106 -8.104 -0.086 1.00 15.11 C ATOM 1219 C THR A 79 1.674 -9.395 -0.796 1.00 40.11 C ATOM 1220 O THR A 79 2.396 -10.396 -0.794 1.00 44.13 O ATOM 1221 CB THR A 79 3.299 -7.498 -0.872 1.00 42.31 C ATOM 1222 OG1 THR A 79 4.414 -8.411 -0.850 1.00 41.43 O ATOM 1223 CG2 THR A 79 3.730 -6.161 -0.274 1.00 25.21 C ATOM 0 H THR A 79 3.295 -8.933 1.441 1.00 22.23 H new ATOM 0 HA THR A 79 1.264 -7.412 -0.070 1.00 15.11 H new ATOM 0 HB THR A 79 2.976 -7.331 -1.900 1.00 42.31 H new ATOM 0 HG1 THR A 79 4.084 -9.332 -0.904 1.00 41.43 H new ATOM 0 HG21 THR A 79 4.567 -5.760 -0.845 1.00 25.21 H new ATOM 0 HG22 THR A 79 2.896 -5.460 -0.312 1.00 25.21 H new ATOM 0 HG23 THR A 79 4.034 -6.307 0.762 1.00 25.21 H new ATOM 1231 N GLU A 80 0.502 -9.353 -1.435 1.00 43.54 N ATOM 1232 CA GLU A 80 0.017 -10.463 -2.265 1.00 45.12 C ATOM 1233 C GLU A 80 -0.874 -9.942 -3.402 1.00 53.44 C ATOM 1234 O GLU A 80 -1.718 -9.067 -3.203 1.00 45.44 O ATOM 1235 CB GLU A 80 -0.768 -11.507 -1.442 1.00 14.33 C ATOM 1236 CG GLU A 80 0.079 -12.285 -0.431 1.00 21.00 C ATOM 1237 CD GLU A 80 -0.649 -13.476 0.183 1.00 61.25 C ATOM 1238 OE1 GLU A 80 -1.897 -13.470 0.236 1.00 53.22 O ATOM 1239 OE2 GLU A 80 0.025 -14.441 0.602 1.00 24.11 O ATOM 0 H GLU A 80 -0.134 -8.557 -1.394 1.00 43.54 H new ATOM 0 HA GLU A 80 0.899 -10.950 -2.681 1.00 45.12 H new ATOM 0 HB2 GLU A 80 -1.573 -11.001 -0.909 1.00 14.33 H new ATOM 0 HB3 GLU A 80 -1.235 -12.215 -2.127 1.00 14.33 H new ATOM 0 HG2 GLU A 80 0.985 -12.638 -0.923 1.00 21.00 H new ATOM 0 HG3 GLU A 80 0.391 -11.610 0.366 1.00 21.00 H new ATOM 1246 N GLU A 81 -0.680 -10.481 -4.598 1.00 53.45 N ATOM 1247 CA GLU A 81 -1.497 -10.105 -5.749 1.00 41.13 C ATOM 1248 C GLU A 81 -2.752 -10.986 -5.824 1.00 61.33 C ATOM 1249 O GLU A 81 -2.662 -12.218 -5.824 1.00 12.33 O ATOM 1250 CB GLU A 81 -0.680 -10.220 -7.043 1.00 51.01 C ATOM 1251 CG GLU A 81 0.534 -9.292 -7.084 1.00 24.42 C ATOM 1252 CD GLU A 81 1.347 -9.428 -8.363 1.00 3.13 C ATOM 1253 OE1 GLU A 81 1.027 -8.745 -9.356 1.00 62.35 O ATOM 1254 OE2 GLU A 81 2.319 -10.216 -8.375 1.00 20.22 O ATOM 0 H GLU A 81 0.035 -11.180 -4.799 1.00 53.45 H new ATOM 0 HA GLU A 81 -1.811 -9.068 -5.630 1.00 41.13 H new ATOM 0 HB2 GLU A 81 -0.344 -11.250 -7.160 1.00 51.01 H new ATOM 0 HB3 GLU A 81 -1.326 -9.997 -7.892 1.00 51.01 H new ATOM 0 HG2 GLU A 81 0.198 -8.260 -6.982 1.00 24.42 H new ATOM 0 HG3 GLU A 81 1.175 -9.505 -6.229 1.00 24.42 H new ATOM 1261 N ARG A 82 -3.917 -10.350 -5.889 1.00 34.31 N ATOM 1262 CA ARG A 82 -5.200 -11.062 -5.879 1.00 43.21 C ATOM 1263 C ARG A 82 -5.955 -10.848 -7.197 1.00 73.13 C ATOM 1264 O ARG A 82 -5.848 -9.796 -7.822 1.00 4.55 O ATOM 1265 CB ARG A 82 -6.057 -10.576 -4.700 1.00 63.04 C ATOM 1266 CG ARG A 82 -5.397 -10.751 -3.330 1.00 34.31 C ATOM 1267 CD ARG A 82 -5.248 -12.222 -2.953 1.00 45.44 C ATOM 1268 NE ARG A 82 -6.542 -12.891 -2.837 1.00 11.44 N ATOM 1269 CZ ARG A 82 -6.701 -14.186 -2.759 1.00 74.34 C ATOM 1270 NH1 ARG A 82 -5.680 -14.983 -2.773 1.00 1.04 N ATOM 1271 NH2 ARG A 82 -7.891 -14.683 -2.661 1.00 23.54 N ATOM 0 H ARG A 82 -4.004 -9.336 -5.950 1.00 34.31 H new ATOM 0 HA ARG A 82 -5.001 -12.128 -5.767 1.00 43.21 H new ATOM 0 HB2 ARG A 82 -6.291 -9.521 -4.846 1.00 63.04 H new ATOM 0 HB3 ARG A 82 -7.004 -11.116 -4.706 1.00 63.04 H new ATOM 0 HG2 ARG A 82 -4.416 -10.277 -3.337 1.00 34.31 H new ATOM 0 HG3 ARG A 82 -5.992 -10.241 -2.573 1.00 34.31 H new ATOM 0 HD2 ARG A 82 -4.644 -12.730 -3.705 1.00 45.44 H new ATOM 0 HD3 ARG A 82 -4.713 -12.301 -2.007 1.00 45.44 H new ATOM 0 HE ARG A 82 -7.378 -12.307 -2.815 1.00 11.44 H new ATOM 0 HH11 ARG A 82 -4.737 -14.602 -2.846 1.00 1.04 H new ATOM 0 HH12 ARG A 82 -5.819 -15.992 -2.711 1.00 1.04 H new ATOM 0 HH21 ARG A 82 -8.702 -14.065 -2.645 1.00 23.54 H new ATOM 0 HH22 ARG A 82 -8.018 -15.693 -2.600 1.00 23.54 H new ATOM 1285 N GLN A 83 -6.721 -11.849 -7.610 1.00 54.52 N ATOM 1286 CA GLN A 83 -7.445 -11.797 -8.882 1.00 42.21 C ATOM 1287 C GLN A 83 -8.744 -10.982 -8.758 1.00 43.02 C ATOM 1288 O GLN A 83 -9.468 -11.088 -7.765 1.00 51.52 O ATOM 1289 CB GLN A 83 -7.743 -13.222 -9.371 1.00 15.21 C ATOM 1290 CG GLN A 83 -8.369 -13.286 -10.760 1.00 31.12 C ATOM 1291 CD GLN A 83 -8.588 -14.710 -11.252 1.00 30.11 C ATOM 1292 OE1 GLN A 83 -9.516 -14.980 -12.009 1.00 42.44 O ATOM 1293 NE2 GLN A 83 -7.733 -15.630 -10.844 1.00 51.12 N ATOM 0 H GLN A 83 -6.860 -12.712 -7.084 1.00 54.52 H new ATOM 0 HA GLN A 83 -6.814 -11.294 -9.614 1.00 42.21 H new ATOM 0 HB2 GLN A 83 -6.815 -13.794 -9.376 1.00 15.21 H new ATOM 0 HB3 GLN A 83 -8.413 -13.706 -8.660 1.00 15.21 H new ATOM 0 HG2 GLN A 83 -9.325 -12.762 -10.746 1.00 31.12 H new ATOM 0 HG3 GLN A 83 -7.727 -12.759 -11.466 1.00 31.12 H new ATOM 0 HE21 GLN A 83 -6.972 -15.375 -10.215 1.00 51.12 H new ATOM 0 HE22 GLN A 83 -7.834 -16.595 -11.158 1.00 51.12 H new ATOM 1302 N VAL A 84 -9.034 -10.164 -9.768 1.00 1.23 N ATOM 1303 CA VAL A 84 -10.217 -9.298 -9.747 1.00 24.54 C ATOM 1304 C VAL A 84 -11.450 -10.029 -10.316 1.00 31.12 C ATOM 1305 O VAL A 84 -11.388 -10.606 -11.403 1.00 33.23 O ATOM 1306 CB VAL A 84 -9.965 -7.999 -10.559 1.00 21.32 C ATOM 1307 CG1 VAL A 84 -11.173 -7.065 -10.500 1.00 2.13 C ATOM 1308 CG2 VAL A 84 -8.703 -7.292 -10.065 1.00 41.44 C ATOM 0 H VAL A 84 -8.468 -10.081 -10.612 1.00 1.23 H new ATOM 0 HA VAL A 84 -10.412 -9.036 -8.707 1.00 24.54 H new ATOM 0 HB VAL A 84 -9.815 -8.278 -11.602 1.00 21.32 H new ATOM 0 HG11 VAL A 84 -10.965 -6.165 -11.078 1.00 2.13 H new ATOM 0 HG12 VAL A 84 -12.044 -7.570 -10.916 1.00 2.13 H new ATOM 0 HG13 VAL A 84 -11.372 -6.793 -9.464 1.00 2.13 H new ATOM 0 HG21 VAL A 84 -8.543 -6.384 -10.646 1.00 41.44 H new ATOM 0 HG22 VAL A 84 -8.819 -7.033 -9.013 1.00 41.44 H new ATOM 0 HG23 VAL A 84 -7.845 -7.954 -10.183 1.00 41.44 H new ATOM 1318 N PRO A 85 -12.584 -10.019 -9.576 1.00 2.54 N ATOM 1319 CA PRO A 85 -13.820 -10.734 -9.966 1.00 54.10 C ATOM 1320 C PRO A 85 -14.223 -10.560 -11.445 1.00 12.34 C ATOM 1321 O PRO A 85 -14.683 -9.493 -11.867 1.00 32.51 O ATOM 1322 CB PRO A 85 -14.876 -10.116 -9.045 1.00 42.01 C ATOM 1323 CG PRO A 85 -14.120 -9.743 -7.816 1.00 51.43 C ATOM 1324 CD PRO A 85 -12.752 -9.316 -8.284 1.00 34.31 C ATOM 0 HA PRO A 85 -13.695 -11.812 -9.865 1.00 54.10 H new ATOM 0 HB2 PRO A 85 -15.343 -9.245 -9.504 1.00 42.01 H new ATOM 0 HB3 PRO A 85 -15.673 -10.825 -8.822 1.00 42.01 H new ATOM 0 HG2 PRO A 85 -14.619 -8.935 -7.281 1.00 51.43 H new ATOM 0 HG3 PRO A 85 -14.052 -10.586 -7.129 1.00 51.43 H new ATOM 0 HD2 PRO A 85 -12.691 -8.235 -8.406 1.00 34.31 H new ATOM 0 HD3 PRO A 85 -11.979 -9.600 -7.571 1.00 34.31 H new ATOM 1332 N GLY A 86 -14.037 -11.621 -12.230 1.00 33.13 N ATOM 1333 CA GLY A 86 -14.458 -11.614 -13.626 1.00 54.44 C ATOM 1334 C GLY A 86 -13.548 -10.805 -14.547 1.00 71.22 C ATOM 1335 O GLY A 86 -13.940 -10.461 -15.665 1.00 13.41 O ATOM 0 H GLY A 86 -13.600 -12.490 -11.923 1.00 33.13 H new ATOM 0 HA2 GLY A 86 -14.501 -12.642 -13.987 1.00 54.44 H new ATOM 0 HA3 GLY A 86 -15.469 -11.212 -13.687 1.00 54.44 H new ATOM 1339 N SER A 87 -12.343 -10.493 -14.082 1.00 23.52 N ATOM 1340 CA SER A 87 -11.375 -9.720 -14.878 1.00 10.22 C ATOM 1341 C SER A 87 -10.153 -10.565 -15.255 1.00 1.34 C ATOM 1342 O SER A 87 -9.811 -11.523 -14.563 1.00 65.14 O ATOM 1343 CB SER A 87 -10.915 -8.479 -14.099 1.00 43.43 C ATOM 1344 OG SER A 87 -12.001 -7.605 -13.834 1.00 34.34 O ATOM 0 H SER A 87 -12.006 -10.761 -13.157 1.00 23.52 H new ATOM 0 HA SER A 87 -11.878 -9.413 -15.795 1.00 10.22 H new ATOM 0 HB2 SER A 87 -10.455 -8.786 -13.160 1.00 43.43 H new ATOM 0 HB3 SER A 87 -10.151 -7.951 -14.670 1.00 43.43 H new ATOM 0 HG SER A 87 -11.679 -6.825 -13.336 1.00 34.34 H new ATOM 1350 N THR A 88 -9.493 -10.201 -16.354 1.00 52.43 N ATOM 1351 CA THR A 88 -8.271 -10.900 -16.791 1.00 71.12 C ATOM 1352 C THR A 88 -7.038 -10.431 -16.004 1.00 30.40 C ATOM 1353 O THR A 88 -6.045 -11.156 -15.890 1.00 13.14 O ATOM 1354 CB THR A 88 -7.997 -10.706 -18.308 1.00 43.31 C ATOM 1355 OG1 THR A 88 -6.752 -11.326 -18.673 1.00 41.53 O ATOM 1356 CG2 THR A 88 -7.953 -9.228 -18.681 1.00 61.33 C ATOM 0 H THR A 88 -9.777 -9.431 -16.960 1.00 52.43 H new ATOM 0 HA THR A 88 -8.446 -11.958 -16.595 1.00 71.12 H new ATOM 0 HB THR A 88 -8.815 -11.177 -18.853 1.00 43.31 H new ATOM 0 HG1 THR A 88 -6.591 -11.198 -19.631 1.00 41.53 H new ATOM 0 HG21 THR A 88 -7.759 -9.128 -19.749 1.00 61.33 H new ATOM 0 HG22 THR A 88 -8.909 -8.763 -18.440 1.00 61.33 H new ATOM 0 HG23 THR A 88 -7.159 -8.735 -18.121 1.00 61.33 H new ATOM 1364 N GLN A 89 -7.109 -9.214 -15.465 1.00 1.41 N ATOM 1365 CA GLN A 89 -6.002 -8.638 -14.689 1.00 54.32 C ATOM 1366 C GLN A 89 -6.181 -8.873 -13.178 1.00 24.24 C ATOM 1367 O GLN A 89 -7.287 -9.133 -12.695 1.00 52.42 O ATOM 1368 CB GLN A 89 -5.879 -7.129 -14.964 1.00 74.13 C ATOM 1369 CG GLN A 89 -7.091 -6.315 -14.518 1.00 41.51 C ATOM 1370 CD GLN A 89 -6.846 -4.814 -14.580 1.00 51.34 C ATOM 1371 OE1 GLN A 89 -6.384 -4.209 -13.617 1.00 0.13 O ATOM 1372 NE2 GLN A 89 -7.143 -4.202 -15.705 1.00 0.12 N ATOM 0 H GLN A 89 -7.922 -8.604 -15.550 1.00 1.41 H new ATOM 0 HA GLN A 89 -5.089 -9.142 -15.006 1.00 54.32 H new ATOM 0 HB2 GLN A 89 -4.992 -6.749 -14.457 1.00 74.13 H new ATOM 0 HB3 GLN A 89 -5.725 -6.976 -16.032 1.00 74.13 H new ATOM 0 HG2 GLN A 89 -7.944 -6.566 -15.148 1.00 41.51 H new ATOM 0 HG3 GLN A 89 -7.355 -6.594 -13.498 1.00 41.51 H new ATOM 0 HE21 GLN A 89 -7.526 -4.732 -16.488 1.00 0.12 H new ATOM 0 HE22 GLN A 89 -6.991 -3.197 -15.795 1.00 0.12 H new ATOM 1381 N LYS A 90 -5.079 -8.779 -12.436 1.00 52.53 N ATOM 1382 CA LYS A 90 -5.100 -8.950 -10.978 1.00 12.15 C ATOM 1383 C LYS A 90 -4.740 -7.637 -10.258 1.00 3.12 C ATOM 1384 O LYS A 90 -4.008 -6.802 -10.794 1.00 65.34 O ATOM 1385 CB LYS A 90 -4.124 -10.063 -10.561 1.00 31.25 C ATOM 1386 CG LYS A 90 -2.667 -9.776 -10.930 1.00 71.22 C ATOM 1387 CD LYS A 90 -1.712 -10.846 -10.404 1.00 22.22 C ATOM 1388 CE LYS A 90 -2.028 -12.227 -10.961 1.00 24.13 C ATOM 1389 NZ LYS A 90 -1.060 -13.247 -10.479 1.00 3.24 N ATOM 0 H LYS A 90 -4.154 -8.584 -12.820 1.00 52.53 H new ATOM 0 HA LYS A 90 -6.112 -9.231 -10.686 1.00 12.15 H new ATOM 0 HB2 LYS A 90 -4.194 -10.210 -9.483 1.00 31.25 H new ATOM 0 HB3 LYS A 90 -4.431 -10.997 -11.031 1.00 31.25 H new ATOM 0 HG2 LYS A 90 -2.575 -9.712 -12.014 1.00 71.22 H new ATOM 0 HG3 LYS A 90 -2.378 -8.805 -10.528 1.00 71.22 H new ATOM 0 HD2 LYS A 90 -0.689 -10.577 -10.666 1.00 22.22 H new ATOM 0 HD3 LYS A 90 -1.766 -10.875 -9.316 1.00 22.22 H new ATOM 0 HE2 LYS A 90 -3.037 -12.516 -10.668 1.00 24.13 H new ATOM 0 HE3 LYS A 90 -2.010 -12.193 -12.050 1.00 24.13 H new ATOM 0 HZ1 LYS A 90 -1.306 -14.175 -10.878 1.00 3.24 H new ATOM 0 HZ2 LYS A 90 -0.100 -12.984 -10.780 1.00 3.24 H new ATOM 0 HZ3 LYS A 90 -1.096 -13.296 -9.441 1.00 3.24 H new ATOM 1403 N ALA A 91 -5.259 -7.461 -9.046 1.00 12.43 N ATOM 1404 CA ALA A 91 -4.978 -6.266 -8.239 1.00 63.44 C ATOM 1405 C ALA A 91 -4.092 -6.602 -7.029 1.00 2.04 C ATOM 1406 O ALA A 91 -4.311 -7.604 -6.347 1.00 41.20 O ATOM 1407 CB ALA A 91 -6.282 -5.625 -7.772 1.00 54.21 C ATOM 0 H ALA A 91 -5.881 -8.132 -8.595 1.00 12.43 H new ATOM 0 HA ALA A 91 -4.436 -5.559 -8.867 1.00 63.44 H new ATOM 0 HB1 ALA A 91 -6.059 -4.741 -7.175 1.00 54.21 H new ATOM 0 HB2 ALA A 91 -6.877 -5.337 -8.639 1.00 54.21 H new ATOM 0 HB3 ALA A 91 -6.842 -6.339 -7.168 1.00 54.21 H new ATOM 1413 N LEU A 92 -3.091 -5.766 -6.765 1.00 42.22 N ATOM 1414 CA LEU A 92 -2.195 -5.964 -5.619 1.00 24.32 C ATOM 1415 C LEU A 92 -2.851 -5.502 -4.307 1.00 55.41 C ATOM 1416 O LEU A 92 -3.222 -4.337 -4.163 1.00 64.15 O ATOM 1417 CB LEU A 92 -0.876 -5.205 -5.842 1.00 14.51 C ATOM 1418 CG LEU A 92 0.139 -5.272 -4.684 1.00 73.22 C ATOM 1419 CD1 LEU A 92 0.707 -6.684 -4.541 1.00 1.04 C ATOM 1420 CD2 LEU A 92 1.263 -4.255 -4.895 1.00 13.22 C ATOM 0 H LEU A 92 -2.876 -4.943 -7.327 1.00 42.22 H new ATOM 0 HA LEU A 92 -1.989 -7.031 -5.536 1.00 24.32 H new ATOM 0 HB2 LEU A 92 -0.400 -5.597 -6.741 1.00 14.51 H new ATOM 0 HB3 LEU A 92 -1.109 -4.158 -6.036 1.00 14.51 H new ATOM 0 HG LEU A 92 -0.381 -5.021 -3.759 1.00 73.22 H new ATOM 0 HD11 LEU A 92 1.421 -6.707 -3.718 1.00 1.04 H new ATOM 0 HD12 LEU A 92 -0.104 -7.384 -4.338 1.00 1.04 H new ATOM 0 HD13 LEU A 92 1.210 -6.969 -5.465 1.00 1.04 H new ATOM 0 HD21 LEU A 92 1.970 -4.317 -4.068 1.00 13.22 H new ATOM 0 HD22 LEU A 92 1.779 -4.472 -5.830 1.00 13.22 H new ATOM 0 HD23 LEU A 92 0.842 -3.251 -4.938 1.00 13.22 H new ATOM 1432 N TYR A 93 -3.002 -6.427 -3.361 1.00 65.24 N ATOM 1433 CA TYR A 93 -3.547 -6.104 -2.038 1.00 51.44 C ATOM 1434 C TYR A 93 -2.462 -6.101 -0.957 1.00 71.44 C ATOM 1435 O TYR A 93 -1.539 -6.921 -0.966 1.00 43.01 O ATOM 1436 CB TYR A 93 -4.685 -7.063 -1.658 1.00 44.03 C ATOM 1437 CG TYR A 93 -5.973 -6.811 -2.422 1.00 45.34 C ATOM 1438 CD1 TYR A 93 -6.136 -7.233 -3.738 1.00 5.12 C ATOM 1439 CD2 TYR A 93 -7.031 -6.137 -1.819 1.00 14.44 C ATOM 1440 CE1 TYR A 93 -7.312 -6.989 -4.425 1.00 35.53 C ATOM 1441 CE2 TYR A 93 -8.205 -5.894 -2.498 1.00 63.44 C ATOM 1442 CZ TYR A 93 -8.342 -6.319 -3.799 1.00 42.30 C ATOM 1443 OH TYR A 93 -9.515 -6.067 -4.476 1.00 43.03 O ATOM 0 H TYR A 93 -2.755 -7.409 -3.484 1.00 65.24 H new ATOM 0 HA TYR A 93 -3.953 -5.094 -2.099 1.00 51.44 H new ATOM 0 HB2 TYR A 93 -4.360 -8.088 -1.838 1.00 44.03 H new ATOM 0 HB3 TYR A 93 -4.883 -6.974 -0.590 1.00 44.03 H new ATOM 0 HD1 TYR A 93 -5.332 -7.759 -4.231 1.00 5.12 H new ATOM 0 HD2 TYR A 93 -6.930 -5.798 -0.799 1.00 14.44 H new ATOM 0 HE1 TYR A 93 -7.423 -7.322 -5.447 1.00 35.53 H new ATOM 0 HE2 TYR A 93 -9.015 -5.372 -2.010 1.00 63.44 H new ATOM 0 HH TYR A 93 -10.135 -5.587 -3.888 1.00 43.03 H new ATOM 1453 N LEU A 94 -2.596 -5.162 -0.026 1.00 41.30 N ATOM 1454 CA LEU A 94 -1.599 -4.936 1.021 1.00 72.53 C ATOM 1455 C LEU A 94 -2.245 -5.002 2.414 1.00 63.12 C ATOM 1456 O LEU A 94 -3.407 -4.631 2.583 1.00 41.34 O ATOM 1457 CB LEU A 94 -0.962 -3.549 0.819 1.00 54.32 C ATOM 1458 CG LEU A 94 -0.486 -3.241 -0.613 1.00 54.33 C ATOM 1459 CD1 LEU A 94 0.008 -1.803 -0.724 1.00 42.55 C ATOM 1460 CD2 LEU A 94 0.597 -4.220 -1.055 1.00 71.32 C ATOM 0 H LEU A 94 -3.398 -4.535 0.026 1.00 41.30 H new ATOM 0 HA LEU A 94 -0.838 -5.714 0.955 1.00 72.53 H new ATOM 0 HB2 LEU A 94 -1.686 -2.789 1.114 1.00 54.32 H new ATOM 0 HB3 LEU A 94 -0.111 -3.457 1.494 1.00 54.32 H new ATOM 0 HG LEU A 94 -1.339 -3.360 -1.281 1.00 54.33 H new ATOM 0 HD11 LEU A 94 0.339 -1.610 -1.744 1.00 42.55 H new ATOM 0 HD12 LEU A 94 -0.802 -1.119 -0.469 1.00 42.55 H new ATOM 0 HD13 LEU A 94 0.841 -1.650 -0.038 1.00 42.55 H new ATOM 0 HD21 LEU A 94 0.914 -3.978 -2.070 1.00 71.32 H new ATOM 0 HD22 LEU A 94 1.451 -4.147 -0.381 1.00 71.32 H new ATOM 0 HD23 LEU A 94 0.202 -5.235 -1.031 1.00 71.32 H new ATOM 1472 N ARG A 95 -1.497 -5.476 3.407 1.00 33.34 N ATOM 1473 CA ARG A 95 -1.975 -5.463 4.796 1.00 43.11 C ATOM 1474 C ARG A 95 -0.807 -5.356 5.790 1.00 14.55 C ATOM 1475 O ARG A 95 0.349 -5.560 5.429 1.00 11.42 O ATOM 1476 CB ARG A 95 -2.828 -6.705 5.095 1.00 63.13 C ATOM 1477 CG ARG A 95 -2.059 -8.019 5.111 1.00 42.11 C ATOM 1478 CD ARG A 95 -2.992 -9.205 5.347 1.00 31.21 C ATOM 1479 NE ARG A 95 -3.787 -9.051 6.569 1.00 50.43 N ATOM 1480 CZ ARG A 95 -5.049 -9.392 6.678 1.00 22.24 C ATOM 1481 NH1 ARG A 95 -5.694 -9.875 5.669 1.00 14.41 N ATOM 1482 NH2 ARG A 95 -5.674 -9.240 7.800 1.00 12.35 N ATOM 0 H ARG A 95 -0.565 -5.872 3.283 1.00 33.34 H new ATOM 0 HA ARG A 95 -2.601 -4.579 4.919 1.00 43.11 H new ATOM 0 HB2 ARG A 95 -3.312 -6.572 6.063 1.00 63.13 H new ATOM 0 HB3 ARG A 95 -3.620 -6.773 4.349 1.00 63.13 H new ATOM 0 HG2 ARG A 95 -1.536 -8.148 4.164 1.00 42.11 H new ATOM 0 HG3 ARG A 95 -1.300 -7.989 5.893 1.00 42.11 H new ATOM 0 HD2 ARG A 95 -3.660 -9.315 4.493 1.00 31.21 H new ATOM 0 HD3 ARG A 95 -2.404 -10.120 5.411 1.00 31.21 H new ATOM 0 HE ARG A 95 -3.329 -8.652 7.388 1.00 50.43 H new ATOM 0 HH11 ARG A 95 -5.222 -9.996 4.773 1.00 14.41 H new ATOM 0 HH12 ARG A 95 -6.675 -10.136 5.768 1.00 14.41 H new ATOM 0 HH21 ARG A 95 -5.186 -8.853 8.607 1.00 12.35 H new ATOM 0 HH22 ARG A 95 -6.655 -9.507 7.877 1.00 12.35 H new ATOM 1496 N ALA A 96 -1.118 -5.019 7.039 1.00 33.33 N ATOM 1497 CA ALA A 96 -0.093 -4.817 8.070 1.00 35.30 C ATOM 1498 C ALA A 96 0.648 -6.119 8.427 1.00 40.40 C ATOM 1499 O ALA A 96 0.077 -7.211 8.374 1.00 51.50 O ATOM 1500 CB ALA A 96 -0.725 -4.211 9.316 1.00 21.10 C ATOM 0 H ALA A 96 -2.074 -4.879 7.366 1.00 33.33 H new ATOM 0 HA ALA A 96 0.649 -4.130 7.662 1.00 35.30 H new ATOM 0 HB1 ALA A 96 0.041 -4.064 10.077 1.00 21.10 H new ATOM 0 HB2 ALA A 96 -1.177 -3.251 9.065 1.00 21.10 H new ATOM 0 HB3 ALA A 96 -1.492 -4.884 9.699 1.00 21.10 H new ATOM 1506 N LYS A 97 1.924 -5.985 8.791 1.00 62.43 N ATOM 1507 CA LYS A 97 2.736 -7.125 9.233 1.00 2.04 C ATOM 1508 C LYS A 97 2.400 -7.498 10.689 1.00 43.43 C ATOM 1509 O LYS A 97 2.857 -6.853 11.637 1.00 42.15 O ATOM 1510 CB LYS A 97 4.234 -6.794 9.087 1.00 22.23 C ATOM 1511 CG LYS A 97 5.183 -7.875 9.620 1.00 4.12 C ATOM 1512 CD LYS A 97 5.091 -9.179 8.831 1.00 14.12 C ATOM 1513 CE LYS A 97 5.421 -8.979 7.357 1.00 32.34 C ATOM 1514 NZ LYS A 97 5.394 -10.259 6.604 1.00 44.51 N ATOM 0 H LYS A 97 2.422 -5.095 8.789 1.00 62.43 H new ATOM 0 HA LYS A 97 2.506 -7.984 8.603 1.00 2.04 H new ATOM 0 HB2 LYS A 97 4.454 -6.624 8.033 1.00 22.23 H new ATOM 0 HB3 LYS A 97 4.439 -5.860 9.610 1.00 22.23 H new ATOM 0 HG2 LYS A 97 6.207 -7.504 9.583 1.00 4.12 H new ATOM 0 HG3 LYS A 97 4.952 -8.071 10.667 1.00 4.12 H new ATOM 0 HD2 LYS A 97 5.775 -9.911 9.260 1.00 14.12 H new ATOM 0 HD3 LYS A 97 4.086 -9.589 8.925 1.00 14.12 H new ATOM 0 HE2 LYS A 97 4.707 -8.284 6.916 1.00 32.34 H new ATOM 0 HE3 LYS A 97 6.407 -8.524 7.264 1.00 32.34 H new ATOM 0 HZ1 LYS A 97 5.489 -10.065 5.587 1.00 44.51 H new ATOM 0 HZ2 LYS A 97 6.181 -10.862 6.917 1.00 44.51 H new ATOM 0 HZ3 LYS A 97 4.493 -10.747 6.781 1.00 44.51 H new