USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=16 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= 0.815 K(o=1.3,f=-0.0034) USER MOD Set 1.2: A 48 TYR OH : rot 127:sc= 0.441 USER MOD Single : A 19 GLN : amide:sc=-0.00826 X(o=-0.0083,f=-0.0083) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0244 (180deg=-0.236) USER MOD Single : A 33 SER OG : rot -83:sc= 0.908 USER MOD Single : A 34 SER OG : rot 67:sc= 0.011 USER MOD Single : A 41 ASN : amide:sc= -0.197 K(o=-0.2,f=-9.4!) USER MOD Single : A 44 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.66) USER MOD Single : A 47 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.014) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0262 (180deg=-0.246) USER MOD Single : A 53 GLN : amide:sc= 0.945 K(o=0.94,f=-0.054) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.229 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0184 (180deg=-0.211) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc=-0.00642 (180deg=-0.103) USER MOD Single : A 67 SER OG : rot 180:sc= -0.229 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 28:sc= 0.329 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -21:sc= 0.0606 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.55) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.634 7.781 5.754 1.00 33.14 N ATOM 262 CA GLN A 19 14.325 8.238 6.235 1.00 70.25 C ATOM 263 C GLN A 19 13.562 7.086 6.914 1.00 40.12 C ATOM 264 O GLN A 19 13.475 5.979 6.376 1.00 22.44 O ATOM 265 CB GLN A 19 13.501 8.805 5.066 1.00 53.53 C ATOM 266 CG GLN A 19 14.198 9.912 4.276 1.00 63.11 C ATOM 267 CD GLN A 19 14.475 11.158 5.102 1.00 44.23 C ATOM 268 OE1 GLN A 19 13.652 12.063 5.181 1.00 4.22 O ATOM 269 NE2 GLN A 19 15.637 11.222 5.719 1.00 50.22 N ATOM 0 HA GLN A 19 14.484 9.026 6.972 1.00 70.25 H new ATOM 0 HB2 GLN A 19 13.253 7.991 4.385 1.00 53.53 H new ATOM 0 HB3 GLN A 19 12.560 9.192 5.456 1.00 53.53 H new ATOM 0 HG2 GLN A 19 15.139 9.530 3.881 1.00 63.11 H new ATOM 0 HG3 GLN A 19 13.580 10.182 3.420 1.00 63.11 H new ATOM 0 HE21 GLN A 19 16.302 10.453 5.635 1.00 50.22 H new ATOM 0 HE22 GLN A 19 15.872 12.040 6.281 1.00 50.22 H new ATOM 278 N ALA A 20 13.031 7.345 8.105 1.00 3.22 N ATOM 279 CA ALA A 20 12.277 6.335 8.853 1.00 34.01 C ATOM 280 C ALA A 20 10.799 6.303 8.437 1.00 33.02 C ATOM 281 O ALA A 20 10.081 7.293 8.593 1.00 21.04 O ATOM 282 CB ALA A 20 12.395 6.596 10.351 1.00 50.33 C ATOM 0 H ALA A 20 13.107 8.246 8.577 1.00 3.22 H new ATOM 0 HA ALA A 20 12.707 5.361 8.620 1.00 34.01 H new ATOM 0 HB1 ALA A 20 11.831 5.840 10.898 1.00 50.33 H new ATOM 0 HB2 ALA A 20 13.443 6.551 10.647 1.00 50.33 H new ATOM 0 HB3 ALA A 20 11.995 7.584 10.581 1.00 50.33 H new ATOM 288 N PHE A 21 10.349 5.155 7.928 1.00 11.15 N ATOM 289 CA PHE A 21 8.952 4.977 7.503 1.00 0.12 C ATOM 290 C PHE A 21 7.975 5.168 8.679 1.00 35.52 C ATOM 291 O PHE A 21 7.982 4.380 9.630 1.00 52.10 O ATOM 292 CB PHE A 21 8.752 3.571 6.918 1.00 1.12 C ATOM 293 CG PHE A 21 9.553 3.292 5.668 1.00 31.53 C ATOM 294 CD1 PHE A 21 9.219 3.895 4.463 1.00 60.11 C ATOM 295 CD2 PHE A 21 10.632 2.417 5.695 1.00 64.24 C ATOM 296 CE1 PHE A 21 9.943 3.632 3.315 1.00 22.43 C ATOM 297 CE2 PHE A 21 11.361 2.154 4.551 1.00 12.02 C ATOM 298 CZ PHE A 21 11.015 2.759 3.359 1.00 63.33 C ATOM 0 H PHE A 21 10.932 4.328 7.798 1.00 11.15 H new ATOM 0 HA PHE A 21 8.743 5.733 6.746 1.00 0.12 H new ATOM 0 HB2 PHE A 21 9.018 2.835 7.676 1.00 1.12 H new ATOM 0 HB3 PHE A 21 7.694 3.431 6.695 1.00 1.12 H new ATOM 0 HD1 PHE A 21 8.383 4.578 4.422 1.00 60.11 H new ATOM 0 HD2 PHE A 21 10.905 1.936 6.623 1.00 64.24 H new ATOM 0 HE1 PHE A 21 9.672 4.108 2.384 1.00 22.43 H new ATOM 0 HE2 PHE A 21 12.201 1.476 4.589 1.00 12.02 H new ATOM 0 HZ PHE A 21 11.580 2.551 2.463 1.00 63.33 H new ATOM 308 N PRO A 22 7.128 6.217 8.643 1.00 73.05 N ATOM 309 CA PRO A 22 6.135 6.446 9.701 1.00 73.13 C ATOM 310 C PRO A 22 4.928 5.500 9.578 1.00 34.14 C ATOM 311 O PRO A 22 3.997 5.743 8.806 1.00 74.33 O ATOM 312 CB PRO A 22 5.725 7.907 9.475 1.00 10.02 C ATOM 313 CG PRO A 22 5.915 8.129 8.008 1.00 61.13 C ATOM 314 CD PRO A 22 7.077 7.257 7.593 1.00 20.05 C ATOM 0 HA PRO A 22 6.531 6.255 10.699 1.00 73.13 H new ATOM 0 HB2 PRO A 22 4.690 8.079 9.771 1.00 10.02 H new ATOM 0 HB3 PRO A 22 6.342 8.587 10.062 1.00 10.02 H new ATOM 0 HG2 PRO A 22 5.014 7.864 7.455 1.00 61.13 H new ATOM 0 HG3 PRO A 22 6.122 9.178 7.797 1.00 61.13 H new ATOM 0 HD2 PRO A 22 6.919 6.822 6.606 1.00 20.05 H new ATOM 0 HD3 PRO A 22 8.007 7.824 7.546 1.00 20.05 H new ATOM 322 N ARG A 23 4.937 4.425 10.363 1.00 4.32 N ATOM 323 CA ARG A 23 3.884 3.407 10.280 1.00 54.12 C ATOM 324 C ARG A 23 2.598 3.849 10.991 1.00 62.30 C ATOM 325 O ARG A 23 1.514 3.351 10.681 1.00 43.40 O ATOM 326 CB ARG A 23 4.375 2.056 10.825 1.00 63.40 C ATOM 327 CG ARG A 23 4.991 2.112 12.220 1.00 2.10 C ATOM 328 CD ARG A 23 5.297 0.709 12.738 1.00 24.22 C ATOM 329 NE ARG A 23 6.034 0.719 14.002 1.00 35.11 N ATOM 330 CZ ARG A 23 5.855 -0.153 14.961 1.00 14.00 C ATOM 331 NH1 ARG A 23 4.919 -1.046 14.879 1.00 3.41 N ATOM 332 NH2 ARG A 23 6.599 -0.126 16.014 1.00 23.53 N ATOM 0 H ARG A 23 5.656 4.234 11.061 1.00 4.32 H new ATOM 0 HA ARG A 23 3.644 3.282 9.224 1.00 54.12 H new ATOM 0 HB2 ARG A 23 3.536 1.361 10.842 1.00 63.40 H new ATOM 0 HB3 ARG A 23 5.113 1.648 10.134 1.00 63.40 H new ATOM 0 HG2 ARG A 23 5.907 2.702 12.194 1.00 2.10 H new ATOM 0 HG3 ARG A 23 4.307 2.615 12.904 1.00 2.10 H new ATOM 0 HD2 ARG A 23 4.362 0.164 12.872 1.00 24.22 H new ATOM 0 HD3 ARG A 23 5.876 0.169 11.989 1.00 24.22 H new ATOM 0 HE ARG A 23 6.730 1.451 14.144 1.00 35.11 H new ATOM 0 HH11 ARG A 23 4.312 -1.075 14.060 1.00 3.41 H new ATOM 0 HH12 ARG A 23 4.790 -1.720 15.633 1.00 3.41 H new ATOM 0 HH21 ARG A 23 7.332 0.578 16.103 1.00 23.53 H new ATOM 0 HH22 ARG A 23 6.455 -0.808 16.758 1.00 23.53 H new ATOM 346 N LYS A 24 2.718 4.793 11.928 1.00 25.31 N ATOM 347 CA LYS A 24 1.544 5.356 12.619 1.00 55.51 C ATOM 348 C LYS A 24 0.490 5.845 11.614 1.00 1.10 C ATOM 349 O LYS A 24 -0.712 5.675 11.822 1.00 60.12 O ATOM 350 CB LYS A 24 1.957 6.524 13.530 1.00 55.43 C ATOM 351 CG LYS A 24 2.876 6.125 14.678 1.00 5.14 C ATOM 352 CD LYS A 24 3.193 7.316 15.579 1.00 45.05 C ATOM 353 CE LYS A 24 4.098 6.917 16.737 1.00 20.21 C ATOM 354 NZ LYS A 24 3.479 5.872 17.596 1.00 41.51 N ATOM 0 H LYS A 24 3.610 5.185 12.228 1.00 25.31 H new ATOM 0 HA LYS A 24 1.111 4.561 13.225 1.00 55.51 H new ATOM 0 HB2 LYS A 24 2.456 7.282 12.926 1.00 55.43 H new ATOM 0 HB3 LYS A 24 1.059 6.985 13.941 1.00 55.43 H new ATOM 0 HG2 LYS A 24 2.405 5.337 15.266 1.00 5.14 H new ATOM 0 HG3 LYS A 24 3.802 5.713 14.278 1.00 5.14 H new ATOM 0 HD2 LYS A 24 3.675 8.099 14.993 1.00 45.05 H new ATOM 0 HD3 LYS A 24 2.265 7.735 15.969 1.00 45.05 H new ATOM 0 HE2 LYS A 24 5.046 6.549 16.345 1.00 20.21 H new ATOM 0 HE3 LYS A 24 4.322 7.796 17.341 1.00 20.21 H new ATOM 0 HZ1 LYS A 24 4.017 5.787 18.482 1.00 41.51 H new ATOM 0 HZ2 LYS A 24 2.497 6.137 17.812 1.00 41.51 H new ATOM 0 HZ3 LYS A 24 3.490 4.960 17.096 1.00 41.51 H new ATOM 368 N PHE A 25 0.956 6.447 10.522 1.00 2.34 N ATOM 369 CA PHE A 25 0.066 6.970 9.480 1.00 31.44 C ATOM 370 C PHE A 25 -0.189 5.926 8.383 1.00 5.02 C ATOM 371 O PHE A 25 -1.330 5.698 7.982 1.00 22.12 O ATOM 372 CB PHE A 25 0.670 8.234 8.859 1.00 32.21 C ATOM 373 CG PHE A 25 1.003 9.306 9.866 1.00 12.11 C ATOM 374 CD1 PHE A 25 0.040 10.216 10.278 1.00 1.14 C ATOM 375 CD2 PHE A 25 2.281 9.402 10.403 1.00 73.31 C ATOM 376 CE1 PHE A 25 0.346 11.196 11.203 1.00 70.12 C ATOM 377 CE2 PHE A 25 2.588 10.381 11.326 1.00 44.40 C ATOM 378 CZ PHE A 25 1.619 11.278 11.726 1.00 51.41 C ATOM 0 H PHE A 25 1.948 6.587 10.333 1.00 2.34 H new ATOM 0 HA PHE A 25 -0.888 7.212 9.948 1.00 31.44 H new ATOM 0 HB2 PHE A 25 1.576 7.964 8.316 1.00 32.21 H new ATOM 0 HB3 PHE A 25 -0.030 8.639 8.129 1.00 32.21 H new ATOM 0 HD1 PHE A 25 -0.959 10.158 9.872 1.00 1.14 H new ATOM 0 HD2 PHE A 25 3.043 8.702 10.094 1.00 73.31 H new ATOM 0 HE1 PHE A 25 -0.412 11.898 11.516 1.00 70.12 H new ATOM 0 HE2 PHE A 25 3.586 10.445 11.735 1.00 44.40 H new ATOM 0 HZ PHE A 25 1.858 12.044 12.449 1.00 51.41 H new ATOM 388 N VAL A 26 0.881 5.290 7.902 1.00 62.05 N ATOM 389 CA VAL A 26 0.778 4.323 6.801 1.00 30.30 C ATOM 390 C VAL A 26 -0.132 3.133 7.158 1.00 31.31 C ATOM 391 O VAL A 26 -1.050 2.800 6.406 1.00 15.04 O ATOM 392 CB VAL A 26 2.173 3.802 6.371 1.00 12.44 C ATOM 393 CG1 VAL A 26 2.049 2.804 5.223 1.00 23.21 C ATOM 394 CG2 VAL A 26 3.084 4.966 5.980 1.00 5.42 C ATOM 0 H VAL A 26 1.828 5.425 8.255 1.00 62.05 H new ATOM 0 HA VAL A 26 0.328 4.858 5.965 1.00 30.30 H new ATOM 0 HB VAL A 26 2.621 3.286 7.220 1.00 12.44 H new ATOM 0 HG11 VAL A 26 3.041 2.452 4.938 1.00 23.21 H new ATOM 0 HG12 VAL A 26 1.441 1.957 5.541 1.00 23.21 H new ATOM 0 HG13 VAL A 26 1.577 3.289 4.369 1.00 23.21 H new ATOM 0 HG21 VAL A 26 4.059 4.581 5.681 1.00 5.42 H new ATOM 0 HG22 VAL A 26 2.639 5.513 5.148 1.00 5.42 H new ATOM 0 HG23 VAL A 26 3.204 5.636 6.831 1.00 5.42 H new ATOM 404 N LEU A 27 0.115 2.501 8.306 1.00 63.53 N ATOM 405 CA LEU A 27 -0.719 1.377 8.757 1.00 2.43 C ATOM 406 C LEU A 27 -2.156 1.839 9.053 1.00 0.31 C ATOM 407 O LEU A 27 -3.106 1.076 8.886 1.00 4.30 O ATOM 408 CB LEU A 27 -0.106 0.701 9.991 1.00 50.24 C ATOM 409 CG LEU A 27 1.257 0.024 9.756 1.00 33.43 C ATOM 410 CD1 LEU A 27 1.776 -0.612 11.043 1.00 15.31 C ATOM 411 CD2 LEU A 27 1.156 -1.017 8.641 1.00 74.11 C ATOM 0 H LEU A 27 0.878 2.742 8.938 1.00 63.53 H new ATOM 0 HA LEU A 27 -0.757 0.646 7.949 1.00 2.43 H new ATOM 0 HB2 LEU A 27 0.008 1.448 10.776 1.00 50.24 H new ATOM 0 HB3 LEU A 27 -0.807 -0.047 10.362 1.00 50.24 H new ATOM 0 HG LEU A 27 1.968 0.790 9.446 1.00 33.43 H new ATOM 0 HD11 LEU A 27 2.740 -1.084 10.853 1.00 15.31 H new ATOM 0 HD12 LEU A 27 1.893 0.156 11.807 1.00 15.31 H new ATOM 0 HD13 LEU A 27 1.066 -1.363 11.390 1.00 15.31 H new ATOM 0 HD21 LEU A 27 2.129 -1.484 8.490 1.00 74.11 H new ATOM 0 HD22 LEU A 27 0.427 -1.778 8.919 1.00 74.11 H new ATOM 0 HD23 LEU A 27 0.839 -0.532 7.718 1.00 74.11 H new ATOM 423 N ALA A 28 -2.303 3.097 9.478 1.00 44.21 N ATOM 424 CA ALA A 28 -3.627 3.693 9.699 1.00 12.51 C ATOM 425 C ALA A 28 -4.410 3.791 8.385 1.00 41.03 C ATOM 426 O ALA A 28 -5.578 3.414 8.312 1.00 74.52 O ATOM 427 CB ALA A 28 -3.494 5.070 10.341 1.00 44.24 C ATOM 0 H ALA A 28 -1.523 3.724 9.676 1.00 44.21 H new ATOM 0 HA ALA A 28 -4.180 3.044 10.378 1.00 12.51 H new ATOM 0 HB1 ALA A 28 -4.485 5.496 10.497 1.00 44.24 H new ATOM 0 HB2 ALA A 28 -2.984 4.977 11.300 1.00 44.24 H new ATOM 0 HB3 ALA A 28 -2.918 5.723 9.686 1.00 44.24 H new ATOM 433 N ALA A 29 -3.757 4.304 7.349 1.00 30.04 N ATOM 434 CA ALA A 29 -4.356 4.377 6.017 1.00 43.12 C ATOM 435 C ALA A 29 -4.666 2.976 5.476 1.00 23.51 C ATOM 436 O ALA A 29 -5.709 2.741 4.866 1.00 32.31 O ATOM 437 CB ALA A 29 -3.425 5.116 5.064 1.00 41.24 C ATOM 0 H ALA A 29 -2.809 4.677 7.404 1.00 30.04 H new ATOM 0 HA ALA A 29 -5.295 4.926 6.094 1.00 43.12 H new ATOM 0 HB1 ALA A 29 -3.881 5.165 4.075 1.00 41.24 H new ATOM 0 HB2 ALA A 29 -3.253 6.127 5.434 1.00 41.24 H new ATOM 0 HB3 ALA A 29 -2.475 4.586 5.000 1.00 41.24 H new ATOM 443 N LEU A 30 -3.740 2.055 5.715 1.00 73.11 N ATOM 444 CA LEU A 30 -3.875 0.663 5.286 1.00 30.31 C ATOM 445 C LEU A 30 -5.132 0.003 5.881 1.00 23.45 C ATOM 446 O LEU A 30 -5.986 -0.497 5.150 1.00 0.50 O ATOM 447 CB LEU A 30 -2.614 -0.110 5.697 1.00 64.11 C ATOM 448 CG LEU A 30 -2.538 -1.573 5.237 1.00 14.42 C ATOM 449 CD1 LEU A 30 -2.629 -1.672 3.716 1.00 5.44 C ATOM 450 CD2 LEU A 30 -1.249 -2.218 5.743 1.00 75.22 C ATOM 0 H LEU A 30 -2.871 2.250 6.213 1.00 73.11 H new ATOM 0 HA LEU A 30 -3.986 0.641 4.202 1.00 30.31 H new ATOM 0 HB2 LEU A 30 -1.745 0.418 5.305 1.00 64.11 H new ATOM 0 HB3 LEU A 30 -2.537 -0.088 6.784 1.00 64.11 H new ATOM 0 HG LEU A 30 -3.387 -2.111 5.659 1.00 14.42 H new ATOM 0 HD11 LEU A 30 -2.573 -2.718 3.415 1.00 5.44 H new ATOM 0 HD12 LEU A 30 -3.575 -1.248 3.380 1.00 5.44 H new ATOM 0 HD13 LEU A 30 -1.804 -1.120 3.265 1.00 5.44 H new ATOM 0 HD21 LEU A 30 -1.206 -3.255 5.411 1.00 75.22 H new ATOM 0 HD22 LEU A 30 -0.391 -1.675 5.348 1.00 75.22 H new ATOM 0 HD23 LEU A 30 -1.229 -2.185 6.832 1.00 75.22 H new ATOM 462 N GLU A 31 -5.249 0.026 7.207 1.00 2.02 N ATOM 463 CA GLU A 31 -6.385 -0.603 7.893 1.00 61.33 C ATOM 464 C GLU A 31 -7.725 0.054 7.509 1.00 5.25 C ATOM 465 O GLU A 31 -8.764 -0.604 7.483 1.00 5.11 O ATOM 466 CB GLU A 31 -6.179 -0.552 9.415 1.00 12.32 C ATOM 467 CG GLU A 31 -6.140 0.858 10.000 1.00 32.33 C ATOM 468 CD GLU A 31 -5.852 0.874 11.495 1.00 13.21 C ATOM 469 OE1 GLU A 31 -6.357 -0.015 12.213 1.00 2.23 O ATOM 470 OE2 GLU A 31 -5.122 1.775 11.966 1.00 64.14 O ATOM 0 H GLU A 31 -4.575 0.471 7.830 1.00 2.02 H new ATOM 0 HA GLU A 31 -6.430 -1.644 7.572 1.00 61.33 H new ATOM 0 HB2 GLU A 31 -6.982 -1.110 9.897 1.00 12.32 H new ATOM 0 HB3 GLU A 31 -5.246 -1.060 9.660 1.00 12.32 H new ATOM 0 HG2 GLU A 31 -5.377 1.439 9.482 1.00 32.33 H new ATOM 0 HG3 GLU A 31 -7.095 1.349 9.814 1.00 32.33 H new ATOM 477 N GLN A 32 -7.691 1.349 7.196 1.00 31.04 N ATOM 478 CA GLN A 32 -8.902 2.091 6.821 1.00 34.24 C ATOM 479 C GLN A 32 -9.239 1.950 5.326 1.00 13.21 C ATOM 480 O GLN A 32 -10.238 2.498 4.856 1.00 43.25 O ATOM 481 CB GLN A 32 -8.749 3.570 7.201 1.00 51.13 C ATOM 482 CG GLN A 32 -8.702 3.800 8.709 1.00 41.11 C ATOM 483 CD GLN A 32 -8.443 5.249 9.083 1.00 15.34 C ATOM 484 OE1 GLN A 32 -9.366 6.044 9.234 1.00 51.31 O ATOM 485 NE2 GLN A 32 -7.187 5.601 9.236 1.00 32.20 N ATOM 0 H GLN A 32 -6.839 1.910 7.194 1.00 31.04 H new ATOM 0 HA GLN A 32 -9.735 1.658 7.374 1.00 34.24 H new ATOM 0 HB2 GLN A 32 -7.837 3.962 6.751 1.00 51.13 H new ATOM 0 HB3 GLN A 32 -9.580 4.135 6.779 1.00 51.13 H new ATOM 0 HG2 GLN A 32 -9.647 3.481 9.149 1.00 41.11 H new ATOM 0 HG3 GLN A 32 -7.921 3.174 9.142 1.00 41.11 H new ATOM 0 HE21 GLN A 32 -6.445 4.914 9.103 1.00 32.20 H new ATOM 0 HE22 GLN A 32 -6.954 6.561 9.488 1.00 32.20 H new ATOM 494 N SER A 33 -8.399 1.229 4.581 1.00 34.22 N ATOM 495 CA SER A 33 -8.648 0.964 3.151 1.00 50.32 C ATOM 496 C SER A 33 -8.714 -0.544 2.858 1.00 52.54 C ATOM 497 O SER A 33 -8.771 -0.962 1.700 1.00 64.21 O ATOM 498 CB SER A 33 -7.557 1.616 2.288 1.00 21.25 C ATOM 499 OG SER A 33 -6.268 1.119 2.618 1.00 50.25 O ATOM 0 H SER A 33 -7.538 0.815 4.939 1.00 34.22 H new ATOM 0 HA SER A 33 -9.615 1.400 2.900 1.00 50.32 H new ATOM 0 HB2 SER A 33 -7.763 1.426 1.235 1.00 21.25 H new ATOM 0 HB3 SER A 33 -7.578 2.697 2.427 1.00 21.25 H new ATOM 0 HG SER A 33 -5.918 1.607 3.392 1.00 50.25 H new ATOM 505 N SER A 34 -8.727 -1.357 3.916 1.00 3.35 N ATOM 506 CA SER A 34 -8.758 -2.824 3.778 1.00 22.23 C ATOM 507 C SER A 34 -10.184 -3.382 3.858 1.00 13.25 C ATOM 508 O SER A 34 -11.050 -2.809 4.521 1.00 52.34 O ATOM 509 CB SER A 34 -7.902 -3.489 4.872 1.00 71.11 C ATOM 510 OG SER A 34 -6.529 -3.151 4.748 1.00 12.13 O ATOM 0 H SER A 34 -8.717 -1.029 4.882 1.00 3.35 H new ATOM 0 HA SER A 34 -8.352 -3.054 2.793 1.00 22.23 H new ATOM 0 HB2 SER A 34 -8.264 -3.182 5.853 1.00 71.11 H new ATOM 0 HB3 SER A 34 -8.016 -4.571 4.814 1.00 71.11 H new ATOM 0 HG SER A 34 -6.409 -2.196 4.934 1.00 12.13 H new ATOM 516 N ASP A 35 -10.417 -4.505 3.179 1.00 21.25 N ATOM 517 CA ASP A 35 -11.678 -5.244 3.309 1.00 51.02 C ATOM 518 C ASP A 35 -11.831 -5.816 4.730 1.00 1.11 C ATOM 519 O ASP A 35 -10.893 -5.779 5.529 1.00 4.44 O ATOM 520 CB ASP A 35 -11.734 -6.395 2.291 1.00 41.42 C ATOM 521 CG ASP A 35 -11.582 -5.928 0.852 1.00 61.00 C ATOM 522 OD1 ASP A 35 -12.373 -5.067 0.417 1.00 12.33 O ATOM 523 OD2 ASP A 35 -10.693 -6.443 0.140 1.00 54.42 O ATOM 0 H ASP A 35 -9.750 -4.925 2.532 1.00 21.25 H new ATOM 0 HA ASP A 35 -12.494 -4.548 3.114 1.00 51.02 H new ATOM 0 HB2 ASP A 35 -10.945 -7.112 2.519 1.00 41.42 H new ATOM 0 HB3 ASP A 35 -12.683 -6.920 2.398 1.00 41.42 H new ATOM 528 N ASP A 36 -13.008 -6.362 5.033 1.00 22.23 N ATOM 529 CA ASP A 36 -13.257 -7.009 6.330 1.00 4.31 C ATOM 530 C ASP A 36 -12.233 -8.131 6.608 1.00 55.43 C ATOM 531 O ASP A 36 -11.854 -8.374 7.754 1.00 1.02 O ATOM 532 CB ASP A 36 -14.684 -7.568 6.360 1.00 44.23 C ATOM 533 CG ASP A 36 -14.997 -8.317 7.645 1.00 11.35 C ATOM 534 OD1 ASP A 36 -15.207 -7.663 8.686 1.00 33.20 O ATOM 535 OD2 ASP A 36 -15.037 -9.565 7.617 1.00 71.13 O ATOM 0 H ASP A 36 -13.808 -6.371 4.400 1.00 22.23 H new ATOM 0 HA ASP A 36 -13.144 -6.260 7.114 1.00 4.31 H new ATOM 0 HB2 ASP A 36 -15.393 -6.749 6.241 1.00 44.23 H new ATOM 0 HB3 ASP A 36 -14.825 -8.237 5.511 1.00 44.23 H new ATOM 540 N ALA A 37 -11.781 -8.801 5.545 1.00 22.24 N ATOM 541 CA ALA A 37 -10.783 -9.878 5.665 1.00 50.23 C ATOM 542 C ALA A 37 -9.357 -9.331 5.879 1.00 30.54 C ATOM 543 O ALA A 37 -8.406 -10.099 6.044 1.00 71.23 O ATOM 544 CB ALA A 37 -10.823 -10.769 4.428 1.00 51.53 C ATOM 0 H ALA A 37 -12.088 -8.620 4.589 1.00 22.24 H new ATOM 0 HA ALA A 37 -11.041 -10.465 6.547 1.00 50.23 H new ATOM 0 HB1 ALA A 37 -10.082 -11.562 4.527 1.00 51.53 H new ATOM 0 HB2 ALA A 37 -11.815 -11.210 4.329 1.00 51.53 H new ATOM 0 HB3 ALA A 37 -10.601 -10.173 3.543 1.00 51.53 H new ATOM 550 N GLY A 38 -9.214 -8.007 5.873 1.00 10.32 N ATOM 551 CA GLY A 38 -7.909 -7.382 6.075 1.00 41.42 C ATOM 552 C GLY A 38 -7.042 -7.351 4.816 1.00 52.31 C ATOM 553 O GLY A 38 -5.891 -7.778 4.841 1.00 13.53 O ATOM 0 H GLY A 38 -9.981 -7.350 5.731 1.00 10.32 H new ATOM 0 HA2 GLY A 38 -8.055 -6.362 6.430 1.00 41.42 H new ATOM 0 HA3 GLY A 38 -7.376 -7.919 6.860 1.00 41.42 H new ATOM 557 N TRP A 39 -7.598 -6.854 3.713 1.00 54.32 N ATOM 558 CA TRP A 39 -6.850 -6.720 2.452 1.00 34.24 C ATOM 559 C TRP A 39 -7.183 -5.399 1.750 1.00 73.31 C ATOM 560 O TRP A 39 -8.331 -5.151 1.386 1.00 33.22 O ATOM 561 CB TRP A 39 -7.140 -7.906 1.516 1.00 63.10 C ATOM 562 CG TRP A 39 -6.537 -9.201 1.988 1.00 61.15 C ATOM 563 CD1 TRP A 39 -7.175 -10.240 2.608 1.00 71.33 C ATOM 564 CD2 TRP A 39 -5.160 -9.582 1.880 1.00 63.51 C ATOM 565 NE1 TRP A 39 -6.275 -11.240 2.892 1.00 20.44 N ATOM 566 CE2 TRP A 39 -5.033 -10.861 2.452 1.00 74.42 C ATOM 567 CE3 TRP A 39 -4.024 -8.962 1.350 1.00 44.31 C ATOM 568 CZ2 TRP A 39 -3.814 -11.530 2.506 1.00 50.33 C ATOM 569 CZ3 TRP A 39 -2.816 -9.627 1.406 1.00 11.33 C ATOM 570 CH2 TRP A 39 -2.719 -10.899 1.979 1.00 31.40 C ATOM 0 H TRP A 39 -8.565 -6.535 3.661 1.00 54.32 H new ATOM 0 HA TRP A 39 -5.788 -6.720 2.696 1.00 34.24 H new ATOM 0 HB2 TRP A 39 -8.219 -8.029 1.421 1.00 63.10 H new ATOM 0 HB3 TRP A 39 -6.757 -7.677 0.522 1.00 63.10 H new ATOM 0 HD1 TRP A 39 -8.229 -10.270 2.840 1.00 71.33 H new ATOM 0 HE1 TRP A 39 -6.496 -12.122 3.355 1.00 20.44 H new ATOM 0 HE3 TRP A 39 -4.091 -7.980 0.905 1.00 44.31 H new ATOM 0 HZ2 TRP A 39 -3.734 -12.512 2.948 1.00 50.33 H new ATOM 0 HZ3 TRP A 39 -1.932 -9.158 1.001 1.00 11.33 H new ATOM 0 HH2 TRP A 39 -1.760 -11.394 2.006 1.00 31.40 H new ATOM 581 N ALA A 40 -6.172 -4.555 1.557 1.00 52.23 N ATOM 582 CA ALA A 40 -6.369 -3.229 0.960 1.00 42.31 C ATOM 583 C ALA A 40 -5.824 -3.155 -0.469 1.00 33.43 C ATOM 584 O ALA A 40 -4.650 -3.434 -0.709 1.00 54.44 O ATOM 585 CB ALA A 40 -5.696 -2.169 1.823 1.00 23.43 C ATOM 0 H ALA A 40 -5.205 -4.763 1.805 1.00 52.23 H new ATOM 0 HA ALA A 40 -7.442 -3.045 0.914 1.00 42.31 H new ATOM 0 HB1 ALA A 40 -5.845 -1.187 1.375 1.00 23.43 H new ATOM 0 HB2 ALA A 40 -6.132 -2.183 2.822 1.00 23.43 H new ATOM 0 HB3 ALA A 40 -4.628 -2.379 1.890 1.00 23.43 H new ATOM 591 N ASN A 41 -6.683 -2.783 -1.416 1.00 34.23 N ATOM 592 CA ASN A 41 -6.262 -2.587 -2.807 1.00 43.33 C ATOM 593 C ASN A 41 -5.263 -1.422 -2.905 1.00 43.22 C ATOM 594 O ASN A 41 -5.534 -0.323 -2.421 1.00 73.21 O ATOM 595 CB ASN A 41 -7.491 -2.324 -3.693 1.00 11.32 C ATOM 596 CG ASN A 41 -7.156 -2.194 -5.176 1.00 21.34 C ATOM 597 OD1 ASN A 41 -6.089 -1.727 -5.556 1.00 31.33 O ATOM 598 ND2 ASN A 41 -8.071 -2.607 -6.028 1.00 53.42 N ATOM 0 H ASN A 41 -7.674 -2.611 -1.249 1.00 34.23 H new ATOM 0 HA ASN A 41 -5.765 -3.491 -3.158 1.00 43.33 H new ATOM 0 HB2 ASN A 41 -8.205 -3.136 -3.560 1.00 11.32 H new ATOM 0 HB3 ASN A 41 -7.982 -1.410 -3.358 1.00 11.32 H new ATOM 0 HD21 ASN A 41 -7.900 -2.542 -7.031 1.00 53.42 H new ATOM 0 HD22 ASN A 41 -8.951 -2.992 -5.685 1.00 53.42 H new ATOM 605 N LEU A 42 -4.116 -1.678 -3.534 1.00 14.14 N ATOM 606 CA LEU A 42 -3.054 -0.673 -3.708 1.00 62.54 C ATOM 607 C LEU A 42 -3.612 0.691 -4.163 1.00 44.04 C ATOM 608 O LEU A 42 -3.236 1.739 -3.628 1.00 71.50 O ATOM 609 CB LEU A 42 -2.032 -1.181 -4.735 1.00 43.22 C ATOM 610 CG LEU A 42 -0.845 -0.244 -5.014 1.00 71.33 C ATOM 611 CD1 LEU A 42 0.030 -0.074 -3.771 1.00 64.11 C ATOM 612 CD2 LEU A 42 -0.023 -0.764 -6.190 1.00 14.12 C ATOM 0 H LEU A 42 -3.892 -2.587 -3.939 1.00 14.14 H new ATOM 0 HA LEU A 42 -2.576 -0.525 -2.740 1.00 62.54 H new ATOM 0 HB2 LEU A 42 -1.642 -2.138 -4.389 1.00 43.22 H new ATOM 0 HB3 LEU A 42 -2.551 -1.369 -5.675 1.00 43.22 H new ATOM 0 HG LEU A 42 -1.241 0.737 -5.275 1.00 71.33 H new ATOM 0 HD11 LEU A 42 0.861 0.594 -3.999 1.00 64.11 H new ATOM 0 HD12 LEU A 42 -0.565 0.351 -2.962 1.00 64.11 H new ATOM 0 HD13 LEU A 42 0.419 -1.045 -3.464 1.00 64.11 H new ATOM 0 HD21 LEU A 42 0.814 -0.090 -6.375 1.00 14.12 H new ATOM 0 HD22 LEU A 42 0.357 -1.759 -5.957 1.00 14.12 H new ATOM 0 HD23 LEU A 42 -0.652 -0.815 -7.079 1.00 14.12 H new ATOM 624 N GLY A 43 -4.521 0.663 -5.141 1.00 61.23 N ATOM 625 CA GLY A 43 -5.108 1.893 -5.670 1.00 51.21 C ATOM 626 C GLY A 43 -5.877 2.700 -4.625 1.00 23.41 C ATOM 627 O GLY A 43 -5.919 3.931 -4.685 1.00 72.24 O ATOM 0 H GLY A 43 -4.863 -0.192 -5.579 1.00 61.23 H new ATOM 0 HA2 GLY A 43 -4.315 2.515 -6.086 1.00 51.21 H new ATOM 0 HA3 GLY A 43 -5.780 1.642 -6.490 1.00 51.21 H new ATOM 631 N ASN A 44 -6.490 2.008 -3.667 1.00 61.34 N ATOM 632 CA ASN A 44 -7.240 2.665 -2.589 1.00 45.53 C ATOM 633 C ASN A 44 -6.302 3.067 -1.442 1.00 72.35 C ATOM 634 O ASN A 44 -6.446 4.140 -0.851 1.00 42.21 O ATOM 635 CB ASN A 44 -8.345 1.733 -2.065 1.00 33.13 C ATOM 636 CG ASN A 44 -9.288 1.280 -3.167 1.00 1.24 C ATOM 637 OD1 ASN A 44 -9.485 1.977 -4.155 1.00 22.04 O ATOM 638 ND2 ASN A 44 -9.885 0.116 -3.010 1.00 55.11 N ATOM 0 H ASN A 44 -6.484 0.990 -3.612 1.00 61.34 H new ATOM 0 HA ASN A 44 -7.699 3.567 -2.992 1.00 45.53 H new ATOM 0 HB2 ASN A 44 -7.889 0.860 -1.598 1.00 33.13 H new ATOM 0 HB3 ASN A 44 -8.915 2.248 -1.291 1.00 33.13 H new ATOM 0 HD21 ASN A 44 -10.531 -0.226 -3.722 1.00 55.11 H new ATOM 0 HD22 ASN A 44 -9.702 -0.443 -2.177 1.00 55.11 H new ATOM 645 N PHE A 45 -5.337 2.197 -1.148 1.00 64.22 N ATOM 646 CA PHE A 45 -4.332 2.447 -0.112 1.00 63.24 C ATOM 647 C PHE A 45 -3.555 3.743 -0.381 1.00 31.34 C ATOM 648 O PHE A 45 -3.524 4.643 0.459 1.00 24.52 O ATOM 649 CB PHE A 45 -3.366 1.255 -0.028 1.00 54.11 C ATOM 650 CG PHE A 45 -2.162 1.492 0.854 1.00 24.04 C ATOM 651 CD1 PHE A 45 -2.315 1.758 2.207 1.00 52.51 C ATOM 652 CD2 PHE A 45 -0.878 1.448 0.328 1.00 72.41 C ATOM 653 CE1 PHE A 45 -1.214 1.975 3.012 1.00 74.42 C ATOM 654 CE2 PHE A 45 0.225 1.664 1.132 1.00 42.23 C ATOM 655 CZ PHE A 45 0.055 1.926 2.474 1.00 24.43 C ATOM 0 H PHE A 45 -5.229 1.299 -1.620 1.00 64.22 H new ATOM 0 HA PHE A 45 -4.849 2.564 0.841 1.00 63.24 H new ATOM 0 HB2 PHE A 45 -3.910 0.387 0.345 1.00 54.11 H new ATOM 0 HB3 PHE A 45 -3.023 1.009 -1.033 1.00 54.11 H new ATOM 0 HD1 PHE A 45 -3.306 1.796 2.635 1.00 52.51 H new ATOM 0 HD2 PHE A 45 -0.739 1.242 -0.723 1.00 72.41 H new ATOM 0 HE1 PHE A 45 -1.347 2.183 4.063 1.00 74.42 H new ATOM 0 HE2 PHE A 45 1.218 1.628 0.709 1.00 42.23 H new ATOM 0 HZ PHE A 45 0.916 2.093 3.105 1.00 24.43 H new ATOM 665 N GLY A 46 -2.935 3.833 -1.558 1.00 4.42 N ATOM 666 CA GLY A 46 -2.162 5.020 -1.916 1.00 61.24 C ATOM 667 C GLY A 46 -2.988 6.305 -1.893 1.00 11.21 C ATOM 668 O GLY A 46 -2.499 7.361 -1.487 1.00 61.12 O ATOM 0 H GLY A 46 -2.953 3.105 -2.273 1.00 4.42 H new ATOM 0 HA2 GLY A 46 -1.324 5.122 -1.226 1.00 61.24 H new ATOM 0 HA3 GLY A 46 -1.740 4.884 -2.912 1.00 61.24 H new ATOM 672 N ASN A 47 -4.247 6.210 -2.314 1.00 41.23 N ATOM 673 CA ASN A 47 -5.147 7.367 -2.353 1.00 13.32 C ATOM 674 C ASN A 47 -5.387 7.925 -0.935 1.00 24.34 C ATOM 675 O ASN A 47 -5.165 9.110 -0.672 1.00 71.41 O ATOM 676 CB ASN A 47 -6.482 6.959 -2.999 1.00 51.13 C ATOM 677 CG ASN A 47 -7.377 8.144 -3.331 1.00 11.43 C ATOM 678 OD1 ASN A 47 -7.274 9.213 -2.744 1.00 2.25 O ATOM 679 ND2 ASN A 47 -8.269 7.957 -4.280 1.00 5.13 N ATOM 0 H ASN A 47 -4.672 5.340 -2.635 1.00 41.23 H new ATOM 0 HA ASN A 47 -4.682 8.152 -2.949 1.00 13.32 H new ATOM 0 HB2 ASN A 47 -6.280 6.398 -3.912 1.00 51.13 H new ATOM 0 HB3 ASN A 47 -7.014 6.288 -2.324 1.00 51.13 H new ATOM 0 HD21 ASN A 47 -8.899 8.715 -4.544 1.00 5.13 H new ATOM 0 HD22 ASN A 47 -8.331 7.054 -4.751 1.00 5.13 H new ATOM 686 N TYR A 48 -5.828 7.057 -0.022 1.00 33.02 N ATOM 687 CA TYR A 48 -6.114 7.462 1.358 1.00 71.13 C ATOM 688 C TYR A 48 -4.822 7.803 2.127 1.00 41.34 C ATOM 689 O TYR A 48 -4.815 8.692 2.982 1.00 60.31 O ATOM 690 CB TYR A 48 -6.888 6.354 2.090 1.00 54.13 C ATOM 691 CG TYR A 48 -7.434 6.790 3.437 1.00 4.31 C ATOM 692 CD1 TYR A 48 -8.488 7.692 3.512 1.00 51.35 C ATOM 693 CD2 TYR A 48 -6.895 6.314 4.626 1.00 15.44 C ATOM 694 CE1 TYR A 48 -8.989 8.105 4.732 1.00 62.12 C ATOM 695 CE2 TYR A 48 -7.388 6.723 5.849 1.00 12.14 C ATOM 696 CZ TYR A 48 -8.434 7.618 5.897 1.00 53.31 C ATOM 697 OH TYR A 48 -8.927 8.032 7.116 1.00 61.22 O ATOM 0 H TYR A 48 -5.995 6.069 -0.212 1.00 33.02 H new ATOM 0 HA TYR A 48 -6.728 8.362 1.319 1.00 71.13 H new ATOM 0 HB2 TYR A 48 -7.714 6.022 1.461 1.00 54.13 H new ATOM 0 HB3 TYR A 48 -6.231 5.496 2.233 1.00 54.13 H new ATOM 0 HD1 TYR A 48 -8.923 8.077 2.602 1.00 51.35 H new ATOM 0 HD2 TYR A 48 -6.076 5.611 4.593 1.00 15.44 H new ATOM 0 HE1 TYR A 48 -9.810 8.805 4.773 1.00 62.12 H new ATOM 0 HE2 TYR A 48 -6.956 6.343 6.763 1.00 12.14 H new ATOM 0 HH TYR A 48 -9.154 7.249 7.660 1.00 61.22 H new ATOM 707 N LEU A 49 -3.733 7.103 1.808 1.00 22.31 N ATOM 708 CA LEU A 49 -2.433 7.345 2.449 1.00 44.41 C ATOM 709 C LEU A 49 -1.985 8.803 2.278 1.00 44.34 C ATOM 710 O LEU A 49 -1.569 9.453 3.242 1.00 43.40 O ATOM 711 CB LEU A 49 -1.370 6.398 1.868 1.00 33.34 C ATOM 712 CG LEU A 49 0.057 6.580 2.418 1.00 1.41 C ATOM 713 CD1 LEU A 49 0.081 6.420 3.934 1.00 54.22 C ATOM 714 CD2 LEU A 49 1.025 5.597 1.754 1.00 61.24 C ATOM 0 H LEU A 49 -3.722 6.361 1.108 1.00 22.31 H new ATOM 0 HA LEU A 49 -2.547 7.150 3.515 1.00 44.41 H new ATOM 0 HB2 LEU A 49 -1.684 5.371 2.055 1.00 33.34 H new ATOM 0 HB3 LEU A 49 -1.343 6.531 0.787 1.00 33.34 H new ATOM 0 HG LEU A 49 0.383 7.592 2.180 1.00 1.41 H new ATOM 0 HD11 LEU A 49 1.100 6.553 4.298 1.00 54.22 H new ATOM 0 HD12 LEU A 49 -0.568 7.169 4.389 1.00 54.22 H new ATOM 0 HD13 LEU A 49 -0.272 5.424 4.200 1.00 54.22 H new ATOM 0 HD21 LEU A 49 2.027 5.744 2.158 1.00 61.24 H new ATOM 0 HD22 LEU A 49 0.700 4.576 1.953 1.00 61.24 H new ATOM 0 HD23 LEU A 49 1.039 5.771 0.678 1.00 61.24 H new ATOM 726 N ASN A 50 -2.093 9.320 1.054 1.00 52.35 N ATOM 727 CA ASN A 50 -1.675 10.697 0.753 1.00 50.34 C ATOM 728 C ASN A 50 -2.475 11.731 1.572 1.00 52.23 C ATOM 729 O ASN A 50 -2.015 12.850 1.791 1.00 54.34 O ATOM 730 CB ASN A 50 -1.818 10.983 -0.749 1.00 1.14 C ATOM 731 CG ASN A 50 -1.274 12.349 -1.138 1.00 74.40 C ATOM 732 OD1 ASN A 50 -2.000 13.337 -1.163 1.00 64.25 O ATOM 733 ND2 ASN A 50 0.010 12.418 -1.433 1.00 41.31 N ATOM 0 H ASN A 50 -2.465 8.810 0.253 1.00 52.35 H new ATOM 0 HA ASN A 50 -0.627 10.791 1.037 1.00 50.34 H new ATOM 0 HB2 ASN A 50 -1.293 10.213 -1.314 1.00 1.14 H new ATOM 0 HB3 ASN A 50 -2.870 10.922 -1.028 1.00 1.14 H new ATOM 0 HD21 ASN A 50 0.427 13.312 -1.692 1.00 41.31 H new ATOM 0 HD22 ASN A 50 0.586 11.577 -1.402 1.00 41.31 H new ATOM 740 N LYS A 51 -3.671 11.351 2.029 1.00 34.54 N ATOM 741 CA LYS A 51 -4.489 12.243 2.866 1.00 34.45 C ATOM 742 C LYS A 51 -3.861 12.419 4.256 1.00 71.23 C ATOM 743 O LYS A 51 -3.990 13.471 4.886 1.00 24.12 O ATOM 744 CB LYS A 51 -5.914 11.699 3.024 1.00 12.01 C ATOM 745 CG LYS A 51 -6.602 11.355 1.710 1.00 34.02 C ATOM 746 CD LYS A 51 -8.082 11.049 1.912 1.00 40.14 C ATOM 747 CE LYS A 51 -8.878 12.299 2.274 1.00 61.40 C ATOM 748 NZ LYS A 51 -8.896 13.288 1.161 1.00 31.20 N ATOM 0 H LYS A 51 -4.094 10.443 1.838 1.00 34.54 H new ATOM 0 HA LYS A 51 -4.530 13.210 2.364 1.00 34.45 H new ATOM 0 HB2 LYS A 51 -5.883 10.806 3.649 1.00 12.01 H new ATOM 0 HB3 LYS A 51 -6.516 12.438 3.553 1.00 12.01 H new ATOM 0 HG2 LYS A 51 -6.494 12.187 1.014 1.00 34.02 H new ATOM 0 HG3 LYS A 51 -6.111 10.494 1.256 1.00 34.02 H new ATOM 0 HD2 LYS A 51 -8.489 10.610 1.001 1.00 40.14 H new ATOM 0 HD3 LYS A 51 -8.194 10.306 2.701 1.00 40.14 H new ATOM 0 HE2 LYS A 51 -9.900 12.018 2.526 1.00 61.40 H new ATOM 0 HE3 LYS A 51 -8.446 12.760 3.162 1.00 61.40 H new ATOM 0 HZ1 LYS A 51 -9.650 13.985 1.328 1.00 31.20 H new ATOM 0 HZ2 LYS A 51 -7.978 13.775 1.115 1.00 31.20 H new ATOM 0 HZ3 LYS A 51 -9.072 12.796 0.262 1.00 31.20 H new ATOM 762 N LEU A 52 -3.194 11.371 4.735 1.00 4.13 N ATOM 763 CA LEU A 52 -2.547 11.398 6.048 1.00 5.01 C ATOM 764 C LEU A 52 -1.123 11.968 5.954 1.00 43.21 C ATOM 765 O LEU A 52 -0.724 12.807 6.764 1.00 21.22 O ATOM 766 CB LEU A 52 -2.512 9.988 6.656 1.00 31.22 C ATOM 767 CG LEU A 52 -3.885 9.305 6.820 1.00 24.00 C ATOM 768 CD1 LEU A 52 -3.739 7.942 7.494 1.00 62.22 C ATOM 769 CD2 LEU A 52 -4.847 10.197 7.605 1.00 14.31 C ATOM 0 H LEU A 52 -3.086 10.490 4.233 1.00 4.13 H new ATOM 0 HA LEU A 52 -3.132 12.050 6.696 1.00 5.01 H new ATOM 0 HB2 LEU A 52 -1.883 9.356 6.029 1.00 31.22 H new ATOM 0 HB3 LEU A 52 -2.034 10.044 7.634 1.00 31.22 H new ATOM 0 HG LEU A 52 -4.303 9.148 5.826 1.00 24.00 H new ATOM 0 HD11 LEU A 52 -4.721 7.481 7.598 1.00 62.22 H new ATOM 0 HD12 LEU A 52 -3.100 7.302 6.886 1.00 62.22 H new ATOM 0 HD13 LEU A 52 -3.292 8.070 8.480 1.00 62.22 H new ATOM 0 HD21 LEU A 52 -5.808 9.694 7.707 1.00 14.31 H new ATOM 0 HD22 LEU A 52 -4.434 10.396 8.594 1.00 14.31 H new ATOM 0 HD23 LEU A 52 -4.985 11.139 7.074 1.00 14.31 H new ATOM 781 N GLN A 53 -0.359 11.508 4.961 1.00 42.31 N ATOM 782 CA GLN A 53 1.012 11.996 4.737 1.00 5.34 C ATOM 783 C GLN A 53 1.225 12.435 3.275 1.00 51.21 C ATOM 784 O GLN A 53 1.741 11.673 2.460 1.00 45.04 O ATOM 785 CB GLN A 53 2.042 10.910 5.103 1.00 12.30 C ATOM 786 CG GLN A 53 2.121 10.572 6.590 1.00 50.34 C ATOM 787 CD GLN A 53 2.632 11.726 7.442 1.00 53.34 C ATOM 788 OE1 GLN A 53 3.835 11.890 7.639 1.00 63.53 O ATOM 789 NE2 GLN A 53 1.731 12.524 7.977 1.00 74.04 N ATOM 0 H GLN A 53 -0.663 10.797 4.296 1.00 42.31 H new ATOM 0 HA GLN A 53 1.156 12.863 5.382 1.00 5.34 H new ATOM 0 HB2 GLN A 53 1.801 10.001 4.551 1.00 12.30 H new ATOM 0 HB3 GLN A 53 3.026 11.236 4.767 1.00 12.30 H new ATOM 0 HG2 GLN A 53 1.132 10.279 6.942 1.00 50.34 H new ATOM 0 HG3 GLN A 53 2.776 9.711 6.726 1.00 50.34 H new ATOM 0 HE21 GLN A 53 0.739 12.366 7.798 1.00 74.04 H new ATOM 0 HE22 GLN A 53 2.025 13.300 8.570 1.00 74.04 H new ATOM 798 N PRO A 54 0.830 13.673 2.920 1.00 71.31 N ATOM 799 CA PRO A 54 1.039 14.208 1.559 1.00 21.31 C ATOM 800 C PRO A 54 2.515 14.542 1.283 1.00 23.04 C ATOM 801 O PRO A 54 2.920 14.749 0.139 1.00 32.32 O ATOM 802 CB PRO A 54 0.182 15.480 1.552 1.00 41.24 C ATOM 803 CG PRO A 54 0.138 15.912 2.981 1.00 33.03 C ATOM 804 CD PRO A 54 0.142 14.643 3.796 1.00 10.12 C ATOM 0 HA PRO A 54 0.767 13.490 0.785 1.00 21.31 H new ATOM 0 HB2 PRO A 54 0.621 16.250 0.918 1.00 41.24 H new ATOM 0 HB3 PRO A 54 -0.818 15.282 1.167 1.00 41.24 H new ATOM 0 HG2 PRO A 54 0.997 16.537 3.227 1.00 33.03 H new ATOM 0 HG3 PRO A 54 -0.755 16.503 3.183 1.00 33.03 H new ATOM 0 HD2 PRO A 54 0.669 14.775 4.741 1.00 10.12 H new ATOM 0 HD3 PRO A 54 -0.870 14.318 4.038 1.00 10.12 H new ATOM 812 N ASP A 55 3.307 14.592 2.351 1.00 12.53 N ATOM 813 CA ASP A 55 4.738 14.883 2.260 1.00 73.41 C ATOM 814 C ASP A 55 5.566 13.580 2.154 1.00 23.43 C ATOM 815 O ASP A 55 6.800 13.608 2.119 1.00 13.12 O ATOM 816 CB ASP A 55 5.154 15.710 3.487 1.00 32.51 C ATOM 817 CG ASP A 55 6.561 16.269 3.385 1.00 53.44 C ATOM 818 OD1 ASP A 55 6.874 16.922 2.370 1.00 21.35 O ATOM 819 OD2 ASP A 55 7.358 16.077 4.332 1.00 44.22 O ATOM 0 H ASP A 55 2.977 14.432 3.303 1.00 12.53 H new ATOM 0 HA ASP A 55 4.935 15.458 1.355 1.00 73.41 H new ATOM 0 HB2 ASP A 55 4.452 16.534 3.616 1.00 32.51 H new ATOM 0 HB3 ASP A 55 5.082 15.087 4.378 1.00 32.51 H new ATOM 824 N PHE A 56 4.874 12.441 2.084 1.00 71.53 N ATOM 825 CA PHE A 56 5.534 11.134 1.961 1.00 52.31 C ATOM 826 C PHE A 56 5.704 10.753 0.482 1.00 12.20 C ATOM 827 O PHE A 56 4.744 10.374 -0.191 1.00 71.32 O ATOM 828 CB PHE A 56 4.722 10.062 2.705 1.00 3.05 C ATOM 829 CG PHE A 56 5.368 8.694 2.724 1.00 60.55 C ATOM 830 CD1 PHE A 56 6.451 8.439 3.553 1.00 43.13 C ATOM 831 CD2 PHE A 56 4.887 7.663 1.925 1.00 52.03 C ATOM 832 CE1 PHE A 56 7.043 7.190 3.584 1.00 3.14 C ATOM 833 CE2 PHE A 56 5.477 6.412 1.951 1.00 33.04 C ATOM 834 CZ PHE A 56 6.557 6.175 2.783 1.00 73.33 C ATOM 0 H PHE A 56 3.855 12.394 2.110 1.00 71.53 H new ATOM 0 HA PHE A 56 6.524 11.198 2.412 1.00 52.31 H new ATOM 0 HB2 PHE A 56 4.564 10.391 3.732 1.00 3.05 H new ATOM 0 HB3 PHE A 56 3.739 9.980 2.241 1.00 3.05 H new ATOM 0 HD1 PHE A 56 6.837 9.227 4.183 1.00 43.13 H new ATOM 0 HD2 PHE A 56 4.042 7.841 1.276 1.00 52.03 H new ATOM 0 HE1 PHE A 56 7.886 7.008 4.235 1.00 3.14 H new ATOM 0 HE2 PHE A 56 5.095 5.621 1.323 1.00 33.04 H new ATOM 0 HZ PHE A 56 7.019 5.199 2.806 1.00 73.33 H new ATOM 844 N ASP A 57 6.930 10.864 -0.017 1.00 23.53 N ATOM 845 CA ASP A 57 7.222 10.626 -1.435 1.00 11.23 C ATOM 846 C ASP A 57 8.129 9.398 -1.648 1.00 41.53 C ATOM 847 O ASP A 57 9.062 9.151 -0.882 1.00 32.22 O ATOM 848 CB ASP A 57 7.861 11.881 -2.036 1.00 14.13 C ATOM 849 CG ASP A 57 8.427 11.642 -3.420 1.00 12.12 C ATOM 850 OD1 ASP A 57 7.680 11.186 -4.306 1.00 72.23 O ATOM 851 OD2 ASP A 57 9.627 11.905 -3.625 1.00 44.01 O ATOM 0 H ASP A 57 7.746 11.119 0.540 1.00 23.53 H new ATOM 0 HA ASP A 57 6.282 10.410 -1.943 1.00 11.23 H new ATOM 0 HB2 ASP A 57 7.116 12.675 -2.085 1.00 14.13 H new ATOM 0 HB3 ASP A 57 8.657 12.230 -1.378 1.00 14.13 H new ATOM 856 N SER A 58 7.845 8.636 -2.707 1.00 23.41 N ATOM 857 CA SER A 58 8.621 7.430 -3.036 1.00 73.21 C ATOM 858 C SER A 58 9.986 7.776 -3.652 1.00 64.32 C ATOM 859 O SER A 58 10.967 7.055 -3.443 1.00 41.20 O ATOM 860 CB SER A 58 7.830 6.536 -4.003 1.00 65.25 C ATOM 861 OG SER A 58 6.586 6.141 -3.440 1.00 20.21 O ATOM 0 H SER A 58 7.082 8.831 -3.355 1.00 23.41 H new ATOM 0 HA SER A 58 8.799 6.895 -2.103 1.00 73.21 H new ATOM 0 HB2 SER A 58 7.656 7.071 -4.936 1.00 65.25 H new ATOM 0 HB3 SER A 58 8.418 5.652 -4.248 1.00 65.25 H new ATOM 0 HG SER A 58 6.103 5.575 -4.078 1.00 20.21 H new ATOM 867 N ARG A 59 10.053 8.885 -4.396 1.00 20.42 N ATOM 868 CA ARG A 59 11.298 9.294 -5.063 1.00 4.44 C ATOM 869 C ARG A 59 12.402 9.609 -4.041 1.00 53.43 C ATOM 870 O ARG A 59 13.578 9.341 -4.288 1.00 71.22 O ATOM 871 CB ARG A 59 11.054 10.508 -5.974 1.00 61.24 C ATOM 872 CG ARG A 59 10.030 10.261 -7.082 1.00 60.20 C ATOM 873 CD ARG A 59 10.506 9.208 -8.081 1.00 21.35 C ATOM 874 NE ARG A 59 11.698 9.645 -8.808 1.00 61.13 N ATOM 875 CZ ARG A 59 12.874 9.087 -8.711 1.00 42.24 C ATOM 876 NH1 ARG A 59 13.074 8.094 -7.903 1.00 4.44 N ATOM 877 NH2 ARG A 59 13.857 9.536 -9.417 1.00 3.24 N ATOM 0 H ARG A 59 9.265 9.514 -4.552 1.00 20.42 H new ATOM 0 HA ARG A 59 11.633 8.458 -5.677 1.00 4.44 H new ATOM 0 HB2 ARG A 59 10.717 11.345 -5.363 1.00 61.24 H new ATOM 0 HB3 ARG A 59 12.000 10.804 -6.428 1.00 61.24 H new ATOM 0 HG2 ARG A 59 9.088 9.939 -6.639 1.00 60.20 H new ATOM 0 HG3 ARG A 59 9.833 11.195 -7.607 1.00 60.20 H new ATOM 0 HD2 ARG A 59 10.723 8.279 -7.554 1.00 21.35 H new ATOM 0 HD3 ARG A 59 9.707 8.993 -8.790 1.00 21.35 H new ATOM 0 HE ARG A 59 11.603 10.443 -9.436 1.00 61.13 H new ATOM 0 HH11 ARG A 59 12.307 7.738 -7.332 1.00 4.44 H new ATOM 0 HH12 ARG A 59 13.998 7.668 -7.838 1.00 4.44 H new ATOM 0 HH21 ARG A 59 13.713 10.324 -10.048 1.00 3.24 H new ATOM 0 HH22 ARG A 59 14.777 9.102 -9.344 1.00 3.24 H new ATOM 891 N LEU A 60 12.013 10.169 -2.893 1.00 21.10 N ATOM 892 CA LEU A 60 12.952 10.440 -1.789 1.00 62.05 C ATOM 893 C LEU A 60 13.762 9.184 -1.413 1.00 43.40 C ATOM 894 O LEU A 60 14.972 9.249 -1.182 1.00 25.22 O ATOM 895 CB LEU A 60 12.186 10.932 -0.552 1.00 15.51 C ATOM 896 CG LEU A 60 11.317 12.184 -0.758 1.00 13.24 C ATOM 897 CD1 LEU A 60 10.556 12.524 0.521 1.00 72.12 C ATOM 898 CD2 LEU A 60 12.166 13.368 -1.221 1.00 12.54 C ATOM 0 H LEU A 60 11.051 10.447 -2.698 1.00 21.10 H new ATOM 0 HA LEU A 60 13.644 11.210 -2.130 1.00 62.05 H new ATOM 0 HB2 LEU A 60 11.547 10.123 -0.198 1.00 15.51 H new ATOM 0 HB3 LEU A 60 12.906 11.139 0.240 1.00 15.51 H new ATOM 0 HG LEU A 60 10.589 11.970 -1.541 1.00 13.24 H new ATOM 0 HD11 LEU A 60 9.947 13.413 0.356 1.00 72.12 H new ATOM 0 HD12 LEU A 60 9.912 11.688 0.795 1.00 72.12 H new ATOM 0 HD13 LEU A 60 11.265 12.715 1.327 1.00 72.12 H new ATOM 0 HD21 LEU A 60 11.528 14.241 -1.360 1.00 12.54 H new ATOM 0 HD22 LEU A 60 12.924 13.588 -0.469 1.00 12.54 H new ATOM 0 HD23 LEU A 60 12.652 13.120 -2.165 1.00 12.54 H new ATOM 910 N TYR A 61 13.080 8.042 -1.365 1.00 72.34 N ATOM 911 CA TYR A 61 13.710 6.772 -0.987 1.00 44.23 C ATOM 912 C TYR A 61 14.402 6.090 -2.182 1.00 73.14 C ATOM 913 O TYR A 61 14.912 4.976 -2.062 1.00 11.12 O ATOM 914 CB TYR A 61 12.659 5.826 -0.392 1.00 70.41 C ATOM 915 CG TYR A 61 12.043 6.311 0.906 1.00 43.04 C ATOM 916 CD1 TYR A 61 10.951 7.175 0.908 1.00 31.53 C ATOM 917 CD2 TYR A 61 12.550 5.893 2.130 1.00 25.43 C ATOM 918 CE1 TYR A 61 10.385 7.607 2.093 1.00 44.15 C ATOM 919 CE2 TYR A 61 11.990 6.321 3.317 1.00 71.44 C ATOM 920 CZ TYR A 61 10.908 7.178 3.296 1.00 71.33 C ATOM 921 OH TYR A 61 10.347 7.603 4.480 1.00 22.02 O ATOM 0 H TYR A 61 12.087 7.967 -1.584 1.00 72.34 H new ATOM 0 HA TYR A 61 14.476 6.995 -0.244 1.00 44.23 H new ATOM 0 HB2 TYR A 61 11.865 5.678 -1.124 1.00 70.41 H new ATOM 0 HB3 TYR A 61 13.119 4.853 -0.220 1.00 70.41 H new ATOM 0 HD1 TYR A 61 10.539 7.513 -0.032 1.00 31.53 H new ATOM 0 HD2 TYR A 61 13.396 5.222 2.153 1.00 25.43 H new ATOM 0 HE1 TYR A 61 9.538 8.277 2.077 1.00 44.15 H new ATOM 0 HE2 TYR A 61 12.397 5.986 4.260 1.00 71.44 H new ATOM 0 HH TYR A 61 10.834 7.208 5.233 1.00 22.02 H new ATOM 931 N GLY A 62 14.412 6.759 -3.332 1.00 40.44 N ATOM 932 CA GLY A 62 15.049 6.203 -4.525 1.00 14.13 C ATOM 933 C GLY A 62 14.097 5.422 -5.427 1.00 34.20 C ATOM 934 O GLY A 62 14.464 5.042 -6.539 1.00 1.31 O ATOM 0 H GLY A 62 13.991 7.679 -3.464 1.00 40.44 H new ATOM 0 HA2 GLY A 62 15.494 7.015 -5.100 1.00 14.13 H new ATOM 0 HA3 GLY A 62 15.863 5.547 -4.218 1.00 14.13 H new ATOM 938 N TYR A 63 12.872 5.189 -4.960 1.00 72.44 N ATOM 939 CA TYR A 63 11.887 4.407 -5.721 1.00 23.30 C ATOM 940 C TYR A 63 11.189 5.256 -6.790 1.00 3.24 C ATOM 941 O TYR A 63 11.261 6.483 -6.780 1.00 11.05 O ATOM 942 CB TYR A 63 10.826 3.807 -4.787 1.00 34.04 C ATOM 943 CG TYR A 63 11.378 2.863 -3.734 1.00 54.11 C ATOM 944 CD1 TYR A 63 11.919 3.355 -2.556 1.00 40.51 C ATOM 945 CD2 TYR A 63 11.345 1.482 -3.912 1.00 52.13 C ATOM 946 CE1 TYR A 63 12.410 2.506 -1.584 1.00 74.12 C ATOM 947 CE2 TYR A 63 11.836 0.626 -2.944 1.00 25.12 C ATOM 948 CZ TYR A 63 12.365 1.145 -1.782 1.00 13.44 C ATOM 949 OH TYR A 63 12.847 0.302 -0.811 1.00 20.10 O ATOM 0 H TYR A 63 12.533 5.528 -4.060 1.00 72.44 H new ATOM 0 HA TYR A 63 12.436 3.606 -6.215 1.00 23.30 H new ATOM 0 HB2 TYR A 63 10.298 4.619 -4.288 1.00 34.04 H new ATOM 0 HB3 TYR A 63 10.091 3.271 -5.388 1.00 34.04 H new ATOM 0 HD1 TYR A 63 11.957 4.422 -2.396 1.00 40.51 H new ATOM 0 HD2 TYR A 63 10.929 1.073 -4.821 1.00 52.13 H new ATOM 0 HE1 TYR A 63 12.827 2.908 -0.673 1.00 74.12 H new ATOM 0 HE2 TYR A 63 11.805 -0.443 -3.097 1.00 25.12 H new ATOM 0 HH TYR A 63 12.742 -0.628 -1.103 1.00 20.10 H new ATOM 959 N LYS A 64 10.511 4.583 -7.710 1.00 2.34 N ATOM 960 CA LYS A 64 9.722 5.251 -8.747 1.00 15.05 C ATOM 961 C LYS A 64 8.238 5.323 -8.357 1.00 63.23 C ATOM 962 O LYS A 64 7.614 6.381 -8.454 1.00 31.21 O ATOM 963 CB LYS A 64 9.876 4.522 -10.090 1.00 43.23 C ATOM 964 CG LYS A 64 11.294 4.556 -10.654 1.00 54.12 C ATOM 965 CD LYS A 64 11.770 5.987 -10.902 1.00 54.30 C ATOM 966 CE LYS A 64 13.147 6.025 -11.554 1.00 61.24 C ATOM 967 NZ LYS A 64 13.150 5.393 -12.901 1.00 55.10 N ATOM 0 H LYS A 64 10.489 3.565 -7.762 1.00 2.34 H new ATOM 0 HA LYS A 64 10.099 6.269 -8.848 1.00 15.05 H new ATOM 0 HB2 LYS A 64 9.570 3.483 -9.965 1.00 43.23 H new ATOM 0 HB3 LYS A 64 9.196 4.970 -10.815 1.00 43.23 H new ATOM 0 HG2 LYS A 64 11.974 4.062 -9.960 1.00 54.12 H new ATOM 0 HG3 LYS A 64 11.328 3.994 -11.588 1.00 54.12 H new ATOM 0 HD2 LYS A 64 11.052 6.502 -11.540 1.00 54.30 H new ATOM 0 HD3 LYS A 64 11.802 6.528 -9.956 1.00 54.30 H new ATOM 0 HE2 LYS A 64 13.478 7.060 -11.640 1.00 61.24 H new ATOM 0 HE3 LYS A 64 13.865 5.513 -10.913 1.00 61.24 H new ATOM 0 HZ1 LYS A 64 14.026 5.646 -13.401 1.00 55.10 H new ATOM 0 HZ2 LYS A 64 13.095 4.359 -12.800 1.00 55.10 H new ATOM 0 HZ3 LYS A 64 12.331 5.731 -13.445 1.00 55.10 H new ATOM 981 N LYS A 65 7.679 4.199 -7.906 1.00 61.23 N ATOM 982 CA LYS A 65 6.251 4.134 -7.551 1.00 71.03 C ATOM 983 C LYS A 65 6.004 3.367 -6.236 1.00 55.21 C ATOM 984 O LYS A 65 6.791 2.498 -5.844 1.00 53.24 O ATOM 985 CB LYS A 65 5.446 3.501 -8.699 1.00 42.20 C ATOM 986 CG LYS A 65 5.963 2.131 -9.140 1.00 64.11 C ATOM 987 CD LYS A 65 5.090 1.509 -10.232 1.00 62.51 C ATOM 988 CE LYS A 65 5.049 2.363 -11.499 1.00 73.44 C ATOM 989 NZ LYS A 65 6.397 2.535 -12.106 1.00 62.21 N ATOM 0 H LYS A 65 8.186 3.323 -7.777 1.00 61.23 H new ATOM 0 HA LYS A 65 5.912 5.158 -7.392 1.00 71.03 H new ATOM 0 HB2 LYS A 65 4.406 3.403 -8.388 1.00 42.20 H new ATOM 0 HB3 LYS A 65 5.461 4.176 -9.555 1.00 42.20 H new ATOM 0 HG2 LYS A 65 6.985 2.231 -9.507 1.00 64.11 H new ATOM 0 HG3 LYS A 65 5.997 1.463 -8.279 1.00 64.11 H new ATOM 0 HD2 LYS A 65 5.470 0.517 -10.477 1.00 62.51 H new ATOM 0 HD3 LYS A 65 4.077 1.377 -9.853 1.00 62.51 H new ATOM 0 HE2 LYS A 65 4.382 1.900 -12.226 1.00 73.44 H new ATOM 0 HE3 LYS A 65 4.632 3.342 -11.262 1.00 73.44 H new ATOM 0 HZ1 LYS A 65 6.306 3.018 -13.022 1.00 62.21 H new ATOM 0 HZ2 LYS A 65 6.993 3.105 -11.472 1.00 62.21 H new ATOM 0 HZ3 LYS A 65 6.835 1.603 -12.248 1.00 62.21 H new ATOM 1003 N LEU A 66 4.891 3.698 -5.575 1.00 10.02 N ATOM 1004 CA LEU A 66 4.519 3.106 -4.278 1.00 71.20 C ATOM 1005 C LEU A 66 4.485 1.565 -4.297 1.00 71.35 C ATOM 1006 O LEU A 66 4.899 0.920 -3.333 1.00 74.23 O ATOM 1007 CB LEU A 66 3.145 3.645 -3.844 1.00 21.22 C ATOM 1008 CG LEU A 66 2.641 3.154 -2.472 1.00 71.33 C ATOM 1009 CD1 LEU A 66 3.562 3.622 -1.348 1.00 23.25 C ATOM 1010 CD2 LEU A 66 1.207 3.620 -2.226 1.00 51.23 C ATOM 0 H LEU A 66 4.220 4.384 -5.920 1.00 10.02 H new ATOM 0 HA LEU A 66 5.292 3.395 -3.566 1.00 71.20 H new ATOM 0 HB2 LEU A 66 3.191 4.734 -3.826 1.00 21.22 H new ATOM 0 HB3 LEU A 66 2.411 3.369 -4.601 1.00 21.22 H new ATOM 0 HG LEU A 66 2.651 2.064 -2.481 1.00 71.33 H new ATOM 0 HD11 LEU A 66 3.182 3.261 -0.392 1.00 23.25 H new ATOM 0 HD12 LEU A 66 4.565 3.228 -1.512 1.00 23.25 H new ATOM 0 HD13 LEU A 66 3.597 4.711 -1.336 1.00 23.25 H new ATOM 0 HD21 LEU A 66 0.870 3.263 -1.253 1.00 51.23 H new ATOM 0 HD22 LEU A 66 1.170 4.709 -2.246 1.00 51.23 H new ATOM 0 HD23 LEU A 66 0.556 3.221 -3.004 1.00 51.23 H new ATOM 1022 N SER A 67 3.987 0.979 -5.392 1.00 71.21 N ATOM 1023 CA SER A 67 3.859 -0.486 -5.508 1.00 12.25 C ATOM 1024 C SER A 67 5.178 -1.201 -5.183 1.00 11.04 C ATOM 1025 O SER A 67 5.227 -2.090 -4.327 1.00 75.44 O ATOM 1026 CB SER A 67 3.409 -0.878 -6.925 1.00 43.52 C ATOM 1027 OG SER A 67 4.375 -0.509 -7.897 1.00 24.12 O ATOM 0 H SER A 67 3.665 1.493 -6.212 1.00 71.21 H new ATOM 0 HA SER A 67 3.108 -0.799 -4.783 1.00 12.25 H new ATOM 0 HB2 SER A 67 3.239 -1.954 -6.970 1.00 43.52 H new ATOM 0 HB3 SER A 67 2.459 -0.395 -7.153 1.00 43.52 H new ATOM 0 HG SER A 67 4.061 -0.773 -8.787 1.00 24.12 H new ATOM 1033 N ASP A 68 6.239 -0.800 -5.874 1.00 63.40 N ATOM 1034 CA ASP A 68 7.575 -1.369 -5.666 1.00 13.12 C ATOM 1035 C ASP A 68 8.079 -1.120 -4.231 1.00 43.13 C ATOM 1036 O ASP A 68 8.685 -1.999 -3.616 1.00 64.11 O ATOM 1037 CB ASP A 68 8.542 -0.779 -6.700 1.00 51.12 C ATOM 1038 CG ASP A 68 9.949 -1.337 -6.588 1.00 10.10 C ATOM 1039 OD1 ASP A 68 10.125 -2.563 -6.744 1.00 63.24 O ATOM 1040 OD2 ASP A 68 10.892 -0.546 -6.359 1.00 71.33 O ATOM 0 H ASP A 68 6.203 -0.076 -6.591 1.00 63.40 H new ATOM 0 HA ASP A 68 7.521 -2.449 -5.799 1.00 13.12 H new ATOM 0 HB2 ASP A 68 8.158 -0.976 -7.701 1.00 51.12 H new ATOM 0 HB3 ASP A 68 8.577 0.304 -6.579 1.00 51.12 H new ATOM 1045 N LEU A 69 7.808 0.072 -3.699 1.00 53.43 N ATOM 1046 CA LEU A 69 8.172 0.410 -2.313 1.00 63.31 C ATOM 1047 C LEU A 69 7.581 -0.597 -1.313 1.00 31.10 C ATOM 1048 O LEU A 69 8.295 -1.157 -0.477 1.00 22.14 O ATOM 1049 CB LEU A 69 7.686 1.827 -1.965 1.00 62.21 C ATOM 1050 CG LEU A 69 7.867 2.247 -0.493 1.00 72.42 C ATOM 1051 CD1 LEU A 69 9.344 2.316 -0.120 1.00 14.23 C ATOM 1052 CD2 LEU A 69 7.173 3.579 -0.216 1.00 72.04 C ATOM 0 H LEU A 69 7.337 0.824 -4.203 1.00 53.43 H new ATOM 0 HA LEU A 69 9.259 0.368 -2.239 1.00 63.31 H new ATOM 0 HB2 LEU A 69 8.217 2.540 -2.596 1.00 62.21 H new ATOM 0 HB3 LEU A 69 6.629 1.902 -2.219 1.00 62.21 H new ATOM 0 HG LEU A 69 7.399 1.486 0.131 1.00 72.42 H new ATOM 0 HD11 LEU A 69 9.442 2.615 0.924 1.00 14.23 H new ATOM 0 HD12 LEU A 69 9.801 1.337 -0.262 1.00 14.23 H new ATOM 0 HD13 LEU A 69 9.846 3.046 -0.755 1.00 14.23 H new ATOM 0 HD21 LEU A 69 7.316 3.853 0.829 1.00 72.04 H new ATOM 0 HD22 LEU A 69 7.600 4.352 -0.855 1.00 72.04 H new ATOM 0 HD23 LEU A 69 6.107 3.484 -0.424 1.00 72.04 H new ATOM 1064 N VAL A 70 6.276 -0.826 -1.413 1.00 15.24 N ATOM 1065 CA VAL A 70 5.573 -1.721 -0.489 1.00 62.44 C ATOM 1066 C VAL A 70 6.099 -3.166 -0.576 1.00 74.11 C ATOM 1067 O VAL A 70 6.422 -3.780 0.442 1.00 65.21 O ATOM 1068 CB VAL A 70 4.045 -1.716 -0.752 1.00 71.34 C ATOM 1069 CG1 VAL A 70 3.321 -2.636 0.228 1.00 72.21 C ATOM 1070 CG2 VAL A 70 3.487 -0.295 -0.675 1.00 44.43 C ATOM 0 H VAL A 70 5.679 -0.405 -2.125 1.00 15.24 H new ATOM 0 HA VAL A 70 5.766 -1.341 0.514 1.00 62.44 H new ATOM 0 HB VAL A 70 3.874 -2.095 -1.760 1.00 71.34 H new ATOM 0 HG11 VAL A 70 2.251 -2.615 0.023 1.00 72.21 H new ATOM 0 HG12 VAL A 70 3.693 -3.654 0.114 1.00 72.21 H new ATOM 0 HG13 VAL A 70 3.502 -2.296 1.248 1.00 72.21 H new ATOM 0 HG21 VAL A 70 2.413 -0.315 -0.863 1.00 44.43 H new ATOM 0 HG22 VAL A 70 3.674 0.116 0.317 1.00 44.43 H new ATOM 0 HG23 VAL A 70 3.975 0.329 -1.424 1.00 44.43 H new ATOM 1080 N LYS A 71 6.193 -3.700 -1.796 1.00 14.12 N ATOM 1081 CA LYS A 71 6.641 -5.087 -1.999 1.00 34.03 C ATOM 1082 C LYS A 71 8.134 -5.268 -1.671 1.00 34.30 C ATOM 1083 O LYS A 71 8.592 -6.383 -1.414 1.00 42.31 O ATOM 1084 CB LYS A 71 6.357 -5.543 -3.437 1.00 72.23 C ATOM 1085 CG LYS A 71 7.091 -4.735 -4.504 1.00 34.21 C ATOM 1086 CD LYS A 71 6.786 -5.246 -5.910 1.00 32.41 C ATOM 1087 CE LYS A 71 7.301 -6.664 -6.118 1.00 74.21 C ATOM 1088 NZ LYS A 71 6.857 -7.226 -7.417 1.00 54.13 N ATOM 0 H LYS A 71 5.967 -3.200 -2.656 1.00 14.12 H new ATOM 0 HA LYS A 71 6.074 -5.710 -1.308 1.00 34.03 H new ATOM 0 HB2 LYS A 71 6.635 -6.592 -3.536 1.00 72.23 H new ATOM 0 HB3 LYS A 71 5.285 -5.479 -3.622 1.00 72.23 H new ATOM 0 HG2 LYS A 71 6.804 -3.686 -4.428 1.00 34.21 H new ATOM 0 HG3 LYS A 71 8.165 -4.785 -4.324 1.00 34.21 H new ATOM 0 HD2 LYS A 71 5.710 -5.221 -6.081 1.00 32.41 H new ATOM 0 HD3 LYS A 71 7.241 -4.582 -6.645 1.00 32.41 H new ATOM 0 HE2 LYS A 71 8.390 -6.665 -6.075 1.00 74.21 H new ATOM 0 HE3 LYS A 71 6.949 -7.301 -5.307 1.00 74.21 H new ATOM 0 HZ1 LYS A 71 7.227 -8.192 -7.522 1.00 54.13 H new ATOM 0 HZ2 LYS A 71 5.818 -7.248 -7.449 1.00 54.13 H new ATOM 0 HZ3 LYS A 71 7.214 -6.632 -8.192 1.00 54.13 H new ATOM 1102 N ALA A 72 8.895 -4.177 -1.703 1.00 45.22 N ATOM 1103 CA ALA A 72 10.301 -4.211 -1.289 1.00 34.13 C ATOM 1104 C ALA A 72 10.423 -4.239 0.242 1.00 51.23 C ATOM 1105 O ALA A 72 11.292 -4.913 0.801 1.00 11.11 O ATOM 1106 CB ALA A 72 11.049 -3.009 -1.860 1.00 10.15 C ATOM 0 H ALA A 72 8.567 -3.261 -2.009 1.00 45.22 H new ATOM 0 HA ALA A 72 10.750 -5.124 -1.681 1.00 34.13 H new ATOM 0 HB1 ALA A 72 12.092 -3.046 -1.545 1.00 10.15 H new ATOM 0 HB2 ALA A 72 10.998 -3.032 -2.949 1.00 10.15 H new ATOM 0 HB3 ALA A 72 10.592 -2.089 -1.495 1.00 10.15 H new ATOM 1112 N ARG A 73 9.535 -3.508 0.913 1.00 62.33 N ATOM 1113 CA ARG A 73 9.552 -3.400 2.375 1.00 51.42 C ATOM 1114 C ARG A 73 8.587 -4.403 3.031 1.00 72.13 C ATOM 1115 O ARG A 73 7.797 -4.045 3.910 1.00 1.30 O ATOM 1116 CB ARG A 73 9.203 -1.962 2.791 1.00 4.41 C ATOM 1117 CG ARG A 73 10.106 -0.903 2.158 1.00 64.41 C ATOM 1118 CD ARG A 73 11.572 -1.094 2.538 1.00 30.33 C ATOM 1119 NE ARG A 73 12.450 -0.183 1.805 1.00 23.42 N ATOM 1120 CZ ARG A 73 13.691 0.077 2.127 1.00 64.25 C ATOM 1121 NH1 ARG A 73 14.239 -0.467 3.171 1.00 74.15 N ATOM 1122 NH2 ARG A 73 14.389 0.877 1.386 1.00 42.35 N ATOM 0 H ARG A 73 8.788 -2.977 0.465 1.00 62.33 H new ATOM 0 HA ARG A 73 10.556 -3.643 2.723 1.00 51.42 H new ATOM 0 HB2 ARG A 73 8.168 -1.755 2.518 1.00 4.41 H new ATOM 0 HB3 ARG A 73 9.268 -1.881 3.876 1.00 4.41 H new ATOM 0 HG2 ARG A 73 10.005 -0.943 1.073 1.00 64.41 H new ATOM 0 HG3 ARG A 73 9.777 0.088 2.472 1.00 64.41 H new ATOM 0 HD2 ARG A 73 11.693 -0.931 3.609 1.00 30.33 H new ATOM 0 HD3 ARG A 73 11.868 -2.124 2.336 1.00 30.33 H new ATOM 0 HE ARG A 73 12.067 0.284 0.983 1.00 23.42 H new ATOM 0 HH11 ARG A 73 13.701 -1.108 3.754 1.00 74.15 H new ATOM 0 HH12 ARG A 73 15.208 -0.254 3.408 1.00 74.15 H new ATOM 0 HH21 ARG A 73 13.971 1.300 0.557 1.00 42.35 H new ATOM 0 HH22 ARG A 73 15.357 1.084 1.631 1.00 42.35 H new ATOM 1136 N THR A 74 8.683 -5.669 2.622 1.00 21.11 N ATOM 1137 CA THR A 74 7.855 -6.747 3.195 1.00 74.14 C ATOM 1138 C THR A 74 8.094 -6.914 4.703 1.00 70.14 C ATOM 1139 O THR A 74 7.300 -7.539 5.404 1.00 11.14 O ATOM 1140 CB THR A 74 8.112 -8.103 2.495 1.00 74.35 C ATOM 1141 OG1 THR A 74 9.510 -8.432 2.539 1.00 32.01 O ATOM 1142 CG2 THR A 74 7.641 -8.070 1.046 1.00 75.22 C ATOM 0 H THR A 74 9.326 -5.980 1.894 1.00 21.11 H new ATOM 0 HA THR A 74 6.820 -6.449 3.030 1.00 74.14 H new ATOM 0 HB THR A 74 7.544 -8.866 3.028 1.00 74.35 H new ATOM 0 HG1 THR A 74 9.658 -9.293 2.094 1.00 32.01 H new ATOM 0 HG21 THR A 74 7.834 -9.036 0.579 1.00 75.22 H new ATOM 0 HG22 THR A 74 6.572 -7.859 1.016 1.00 75.22 H new ATOM 0 HG23 THR A 74 8.180 -7.291 0.506 1.00 75.22 H new ATOM 1150 N ASP A 75 9.205 -6.363 5.189 1.00 5.01 N ATOM 1151 CA ASP A 75 9.485 -6.287 6.628 1.00 43.10 C ATOM 1152 C ASP A 75 8.346 -5.560 7.377 1.00 12.34 C ATOM 1153 O ASP A 75 8.027 -5.883 8.526 1.00 51.23 O ATOM 1154 CB ASP A 75 10.815 -5.551 6.838 1.00 5.53 C ATOM 1155 CG ASP A 75 11.159 -5.340 8.303 1.00 4.55 C ATOM 1156 OD1 ASP A 75 11.476 -6.331 8.993 1.00 31.33 O ATOM 1157 OD2 ASP A 75 11.134 -4.179 8.768 1.00 62.53 O ATOM 0 H ASP A 75 9.935 -5.958 4.603 1.00 5.01 H new ATOM 0 HA ASP A 75 9.554 -7.297 7.031 1.00 43.10 H new ATOM 0 HB2 ASP A 75 11.615 -6.118 6.362 1.00 5.53 H new ATOM 0 HB3 ASP A 75 10.769 -4.583 6.339 1.00 5.53 H new ATOM 1162 N LEU A 76 7.739 -4.589 6.700 1.00 62.10 N ATOM 1163 CA LEU A 76 6.669 -3.766 7.279 1.00 22.31 C ATOM 1164 C LEU A 76 5.278 -4.189 6.774 1.00 35.32 C ATOM 1165 O LEU A 76 4.311 -4.221 7.541 1.00 62.11 O ATOM 1166 CB LEU A 76 6.911 -2.293 6.921 1.00 14.25 C ATOM 1167 CG LEU A 76 8.213 -1.686 7.469 1.00 64.25 C ATOM 1168 CD1 LEU A 76 8.471 -0.314 6.848 1.00 51.21 C ATOM 1169 CD2 LEU A 76 8.159 -1.585 8.995 1.00 33.53 C ATOM 0 H LEU A 76 7.971 -4.347 5.737 1.00 62.10 H new ATOM 0 HA LEU A 76 6.689 -3.907 8.360 1.00 22.31 H new ATOM 0 HB2 LEU A 76 6.914 -2.196 5.835 1.00 14.25 H new ATOM 0 HB3 LEU A 76 6.072 -1.704 7.291 1.00 14.25 H new ATOM 0 HG LEU A 76 9.038 -2.344 7.198 1.00 64.25 H new ATOM 0 HD11 LEU A 76 9.397 0.099 7.249 1.00 51.21 H new ATOM 0 HD12 LEU A 76 8.557 -0.415 5.766 1.00 51.21 H new ATOM 0 HD13 LEU A 76 7.643 0.354 7.085 1.00 51.21 H new ATOM 0 HD21 LEU A 76 9.089 -1.153 9.364 1.00 33.53 H new ATOM 0 HD22 LEU A 76 7.323 -0.950 9.288 1.00 33.53 H new ATOM 0 HD23 LEU A 76 8.026 -2.580 9.421 1.00 33.53 H new ATOM 1181 N PHE A 77 5.181 -4.508 5.481 1.00 72.15 N ATOM 1182 CA PHE A 77 3.880 -4.762 4.842 1.00 42.20 C ATOM 1183 C PHE A 77 3.787 -6.178 4.242 1.00 43.43 C ATOM 1184 O PHE A 77 4.753 -6.702 3.687 1.00 33.52 O ATOM 1185 CB PHE A 77 3.639 -3.720 3.734 1.00 32.13 C ATOM 1186 CG PHE A 77 3.876 -2.295 4.178 1.00 32.33 C ATOM 1187 CD1 PHE A 77 3.225 -1.784 5.293 1.00 14.41 C ATOM 1188 CD2 PHE A 77 4.758 -1.471 3.487 1.00 21.11 C ATOM 1189 CE1 PHE A 77 3.452 -0.487 5.709 1.00 62.01 C ATOM 1190 CE2 PHE A 77 4.983 -0.172 3.899 1.00 51.21 C ATOM 1191 CZ PHE A 77 4.331 0.319 5.011 1.00 2.43 C ATOM 0 H PHE A 77 5.982 -4.597 4.855 1.00 72.15 H new ATOM 0 HA PHE A 77 3.116 -4.682 5.615 1.00 42.20 H new ATOM 0 HB2 PHE A 77 4.293 -3.942 2.891 1.00 32.13 H new ATOM 0 HB3 PHE A 77 2.614 -3.814 3.376 1.00 32.13 H new ATOM 0 HD1 PHE A 77 2.534 -2.408 5.841 1.00 14.41 H new ATOM 0 HD2 PHE A 77 5.273 -1.852 2.618 1.00 21.11 H new ATOM 0 HE1 PHE A 77 2.942 -0.102 6.580 1.00 62.01 H new ATOM 0 HE2 PHE A 77 5.668 0.458 3.351 1.00 51.21 H new ATOM 0 HZ PHE A 77 4.508 1.334 5.336 1.00 2.43 H new ATOM 1201 N VAL A 78 2.609 -6.790 4.363 1.00 5.44 N ATOM 1202 CA VAL A 78 2.318 -8.078 3.719 1.00 70.05 C ATOM 1203 C VAL A 78 1.681 -7.846 2.339 1.00 54.02 C ATOM 1204 O VAL A 78 0.629 -7.211 2.234 1.00 74.14 O ATOM 1205 CB VAL A 78 1.364 -8.944 4.579 1.00 14.44 C ATOM 1206 CG1 VAL A 78 1.087 -10.287 3.902 1.00 63.15 C ATOM 1207 CG2 VAL A 78 1.934 -9.147 5.982 1.00 21.43 C ATOM 0 H VAL A 78 1.832 -6.413 4.906 1.00 5.44 H new ATOM 0 HA VAL A 78 3.263 -8.610 3.610 1.00 70.05 H new ATOM 0 HB VAL A 78 0.416 -8.414 4.672 1.00 14.44 H new ATOM 0 HG11 VAL A 78 0.415 -10.877 4.525 1.00 63.15 H new ATOM 0 HG12 VAL A 78 0.624 -10.116 2.930 1.00 63.15 H new ATOM 0 HG13 VAL A 78 2.024 -10.827 3.767 1.00 63.15 H new ATOM 0 HG21 VAL A 78 1.248 -9.758 6.569 1.00 21.43 H new ATOM 0 HG22 VAL A 78 2.899 -9.649 5.914 1.00 21.43 H new ATOM 0 HG23 VAL A 78 2.062 -8.179 6.466 1.00 21.43 H new ATOM 1217 N THR A 79 2.320 -8.360 1.287 1.00 54.11 N ATOM 1218 CA THR A 79 1.881 -8.099 -0.093 1.00 54.53 C ATOM 1219 C THR A 79 1.440 -9.370 -0.829 1.00 45.02 C ATOM 1220 O THR A 79 2.165 -10.365 -0.854 1.00 74.14 O ATOM 1221 CB THR A 79 3.018 -7.448 -0.921 1.00 51.43 C ATOM 1222 OG1 THR A 79 4.112 -8.370 -1.083 1.00 62.32 O ATOM 1223 CG2 THR A 79 3.525 -6.179 -0.246 1.00 63.30 C ATOM 0 H THR A 79 3.142 -8.959 1.359 1.00 54.11 H new ATOM 0 HA THR A 79 1.027 -7.427 -0.005 1.00 54.53 H new ATOM 0 HB THR A 79 2.612 -7.190 -1.899 1.00 51.43 H new ATOM 0 HG1 THR A 79 3.773 -9.289 -1.051 1.00 62.32 H new ATOM 0 HG21 THR A 79 4.322 -5.741 -0.847 1.00 63.30 H new ATOM 0 HG22 THR A 79 2.707 -5.465 -0.153 1.00 63.30 H new ATOM 0 HG23 THR A 79 3.909 -6.422 0.745 1.00 63.30 H new ATOM 1231 N GLU A 80 0.259 -9.321 -1.444 1.00 44.42 N ATOM 1232 CA GLU A 80 -0.187 -10.371 -2.370 1.00 32.15 C ATOM 1233 C GLU A 80 -0.934 -9.781 -3.565 1.00 32.02 C ATOM 1234 O GLU A 80 -1.796 -8.917 -3.408 1.00 42.32 O ATOM 1235 CB GLU A 80 -1.101 -11.406 -1.691 1.00 45.41 C ATOM 1236 CG GLU A 80 -0.401 -12.342 -0.715 1.00 70.30 C ATOM 1237 CD GLU A 80 -1.289 -13.509 -0.306 1.00 21.42 C ATOM 1238 OE1 GLU A 80 -1.827 -14.188 -1.213 1.00 14.45 O ATOM 1239 OE2 GLU A 80 -1.433 -13.772 0.907 1.00 23.23 O ATOM 0 H GLU A 80 -0.412 -8.563 -1.319 1.00 44.42 H new ATOM 0 HA GLU A 80 0.721 -10.870 -2.707 1.00 32.15 H new ATOM 0 HB2 GLU A 80 -1.892 -10.877 -1.159 1.00 45.41 H new ATOM 0 HB3 GLU A 80 -1.582 -12.005 -2.464 1.00 45.41 H new ATOM 0 HG2 GLU A 80 0.512 -12.724 -1.171 1.00 70.30 H new ATOM 0 HG3 GLU A 80 -0.104 -11.784 0.173 1.00 70.30 H new ATOM 1246 N GLU A 81 -0.615 -10.265 -4.758 1.00 63.53 N ATOM 1247 CA GLU A 81 -1.370 -9.901 -5.954 1.00 22.23 C ATOM 1248 C GLU A 81 -2.558 -10.856 -6.128 1.00 53.45 C ATOM 1249 O GLU A 81 -2.382 -12.061 -6.316 1.00 73.05 O ATOM 1250 CB GLU A 81 -0.480 -9.924 -7.204 1.00 30.02 C ATOM 1251 CG GLU A 81 0.629 -8.876 -7.196 1.00 54.05 C ATOM 1252 CD GLU A 81 1.418 -8.833 -8.498 1.00 13.34 C ATOM 1253 OE1 GLU A 81 2.364 -9.635 -8.655 1.00 61.44 O ATOM 1254 OE2 GLU A 81 1.097 -7.997 -9.374 1.00 11.34 O ATOM 0 H GLU A 81 0.158 -10.909 -4.925 1.00 63.53 H new ATOM 0 HA GLU A 81 -1.740 -8.883 -5.829 1.00 22.23 H new ATOM 0 HB2 GLU A 81 -0.031 -10.913 -7.299 1.00 30.02 H new ATOM 0 HB3 GLU A 81 -1.104 -9.771 -8.085 1.00 30.02 H new ATOM 0 HG2 GLU A 81 0.192 -7.895 -7.010 1.00 54.05 H new ATOM 0 HG3 GLU A 81 1.311 -9.083 -6.371 1.00 54.05 H new ATOM 1261 N ARG A 82 -3.766 -10.311 -6.071 1.00 72.33 N ATOM 1262 CA ARG A 82 -4.985 -11.120 -6.109 1.00 53.13 C ATOM 1263 C ARG A 82 -5.789 -10.823 -7.379 1.00 44.34 C ATOM 1264 O ARG A 82 -5.786 -9.699 -7.879 1.00 42.42 O ATOM 1265 CB ARG A 82 -5.845 -10.829 -4.867 1.00 23.24 C ATOM 1266 CG ARG A 82 -5.099 -10.984 -3.540 1.00 4.32 C ATOM 1267 CD ARG A 82 -4.649 -12.420 -3.295 1.00 42.21 C ATOM 1268 NE ARG A 82 -5.781 -13.335 -3.163 1.00 30.52 N ATOM 1269 CZ ARG A 82 -5.723 -14.496 -2.569 1.00 3.41 C ATOM 1270 NH1 ARG A 82 -4.620 -14.912 -2.029 1.00 13.22 N ATOM 1271 NH2 ARG A 82 -6.780 -15.239 -2.502 1.00 74.43 N ATOM 0 H ARG A 82 -3.932 -9.307 -5.998 1.00 72.33 H new ATOM 0 HA ARG A 82 -4.703 -12.173 -6.114 1.00 53.13 H new ATOM 0 HB2 ARG A 82 -6.233 -9.813 -4.937 1.00 23.24 H new ATOM 0 HB3 ARG A 82 -6.705 -11.499 -4.869 1.00 23.24 H new ATOM 0 HG2 ARG A 82 -4.229 -10.327 -3.536 1.00 4.32 H new ATOM 0 HG3 ARG A 82 -5.745 -10.663 -2.723 1.00 4.32 H new ATOM 0 HD2 ARG A 82 -4.014 -12.746 -4.119 1.00 42.21 H new ATOM 0 HD3 ARG A 82 -4.043 -12.460 -2.390 1.00 42.21 H new ATOM 0 HE ARG A 82 -6.675 -13.048 -3.561 1.00 30.52 H new ATOM 0 HH11 ARG A 82 -3.783 -14.330 -2.065 1.00 13.22 H new ATOM 0 HH12 ARG A 82 -4.589 -15.821 -1.568 1.00 13.22 H new ATOM 0 HH21 ARG A 82 -7.656 -14.917 -2.913 1.00 74.43 H new ATOM 0 HH22 ARG A 82 -6.737 -16.147 -2.038 1.00 74.43 H new ATOM 1285 N GLN A 83 -6.478 -11.833 -7.892 1.00 1.41 N ATOM 1286 CA GLN A 83 -7.204 -11.701 -9.155 1.00 2.42 C ATOM 1287 C GLN A 83 -8.538 -10.970 -8.947 1.00 51.32 C ATOM 1288 O GLN A 83 -9.263 -11.242 -7.985 1.00 75.32 O ATOM 1289 CB GLN A 83 -7.434 -13.088 -9.766 1.00 60.41 C ATOM 1290 CG GLN A 83 -8.064 -13.063 -11.153 1.00 33.45 C ATOM 1291 CD GLN A 83 -8.168 -14.449 -11.761 1.00 11.11 C ATOM 1292 OE1 GLN A 83 -7.257 -14.914 -12.435 1.00 63.24 O ATOM 1293 NE2 GLN A 83 -9.274 -15.124 -11.522 1.00 32.31 N ATOM 0 H GLN A 83 -6.552 -12.753 -7.457 1.00 1.41 H new ATOM 0 HA GLN A 83 -6.604 -11.106 -9.844 1.00 2.42 H new ATOM 0 HB2 GLN A 83 -6.479 -13.611 -9.822 1.00 60.41 H new ATOM 0 HB3 GLN A 83 -8.074 -13.665 -9.099 1.00 60.41 H new ATOM 0 HG2 GLN A 83 -9.058 -12.620 -11.091 1.00 33.45 H new ATOM 0 HG3 GLN A 83 -7.471 -12.425 -11.808 1.00 33.45 H new ATOM 0 HE21 GLN A 83 -10.014 -14.707 -10.956 1.00 32.31 H new ATOM 0 HE22 GLN A 83 -9.391 -16.063 -11.902 1.00 32.31 H new ATOM 1302 N VAL A 84 -8.849 -10.044 -9.852 1.00 50.15 N ATOM 1303 CA VAL A 84 -10.040 -9.200 -9.722 1.00 51.14 C ATOM 1304 C VAL A 84 -11.271 -9.849 -10.385 1.00 22.52 C ATOM 1305 O VAL A 84 -11.230 -10.218 -11.561 1.00 53.40 O ATOM 1306 CB VAL A 84 -9.793 -7.802 -10.351 1.00 34.45 C ATOM 1307 CG1 VAL A 84 -10.994 -6.881 -10.137 1.00 71.24 C ATOM 1308 CG2 VAL A 84 -8.518 -7.172 -9.786 1.00 11.33 C ATOM 0 H VAL A 84 -8.292 -9.857 -10.686 1.00 50.15 H new ATOM 0 HA VAL A 84 -10.240 -9.089 -8.656 1.00 51.14 H new ATOM 0 HB VAL A 84 -9.662 -7.936 -11.425 1.00 34.45 H new ATOM 0 HG11 VAL A 84 -10.792 -5.909 -10.588 1.00 71.24 H new ATOM 0 HG12 VAL A 84 -11.877 -7.320 -10.601 1.00 71.24 H new ATOM 0 HG13 VAL A 84 -11.171 -6.756 -9.069 1.00 71.24 H new ATOM 0 HG21 VAL A 84 -8.364 -6.193 -10.240 1.00 11.33 H new ATOM 0 HG22 VAL A 84 -8.615 -7.060 -8.706 1.00 11.33 H new ATOM 0 HG23 VAL A 84 -7.666 -7.814 -10.009 1.00 11.33 H new ATOM 1318 N PRO A 85 -12.386 -9.995 -9.637 1.00 45.53 N ATOM 1319 CA PRO A 85 -13.628 -10.595 -10.162 1.00 70.45 C ATOM 1320 C PRO A 85 -14.166 -9.859 -11.402 1.00 11.20 C ATOM 1321 O PRO A 85 -14.274 -8.632 -11.414 1.00 42.44 O ATOM 1322 CB PRO A 85 -14.617 -10.476 -8.985 1.00 14.34 C ATOM 1323 CG PRO A 85 -14.018 -9.459 -8.072 1.00 53.53 C ATOM 1324 CD PRO A 85 -12.531 -9.592 -8.228 1.00 53.34 C ATOM 0 HA PRO A 85 -13.469 -11.620 -10.496 1.00 70.45 H new ATOM 0 HB2 PRO A 85 -15.603 -10.164 -9.329 1.00 14.34 H new ATOM 0 HB3 PRO A 85 -14.744 -11.433 -8.479 1.00 14.34 H new ATOM 0 HG2 PRO A 85 -14.350 -8.455 -8.334 1.00 53.53 H new ATOM 0 HG3 PRO A 85 -14.320 -9.635 -7.039 1.00 53.53 H new ATOM 0 HD2 PRO A 85 -12.017 -8.653 -8.021 1.00 53.34 H new ATOM 0 HD3 PRO A 85 -12.118 -10.338 -7.549 1.00 53.34 H new ATOM 1332 N GLY A 86 -14.501 -10.619 -12.442 1.00 15.11 N ATOM 1333 CA GLY A 86 -14.955 -10.027 -13.696 1.00 50.41 C ATOM 1334 C GLY A 86 -13.802 -9.591 -14.597 1.00 64.35 C ATOM 1335 O GLY A 86 -14.020 -9.098 -15.707 1.00 13.53 O ATOM 0 H GLY A 86 -14.467 -11.638 -12.441 1.00 15.11 H new ATOM 0 HA2 GLY A 86 -15.574 -10.748 -14.230 1.00 50.41 H new ATOM 0 HA3 GLY A 86 -15.586 -9.165 -13.478 1.00 50.41 H new ATOM 1339 N SER A 87 -12.573 -9.782 -14.121 1.00 65.23 N ATOM 1340 CA SER A 87 -11.369 -9.392 -14.869 1.00 42.41 C ATOM 1341 C SER A 87 -10.334 -10.525 -14.886 1.00 11.43 C ATOM 1342 O SER A 87 -10.303 -11.368 -13.990 1.00 73.40 O ATOM 1343 CB SER A 87 -10.738 -8.134 -14.252 1.00 41.20 C ATOM 1344 OG SER A 87 -11.620 -7.027 -14.318 1.00 52.23 O ATOM 0 H SER A 87 -12.379 -10.207 -13.214 1.00 65.23 H new ATOM 0 HA SER A 87 -11.672 -9.181 -15.894 1.00 42.41 H new ATOM 0 HB2 SER A 87 -10.475 -8.330 -13.213 1.00 41.20 H new ATOM 0 HB3 SER A 87 -9.812 -7.895 -14.776 1.00 41.20 H new ATOM 0 HG SER A 87 -11.191 -6.243 -13.916 1.00 52.23 H new ATOM 1350 N THR A 88 -9.483 -10.537 -15.908 1.00 63.53 N ATOM 1351 CA THR A 88 -8.419 -11.550 -16.019 1.00 10.13 C ATOM 1352 C THR A 88 -7.124 -11.065 -15.349 1.00 4.32 C ATOM 1353 O THR A 88 -6.231 -11.856 -15.038 1.00 33.42 O ATOM 1354 CB THR A 88 -8.128 -11.918 -17.498 1.00 55.02 C ATOM 1355 OG1 THR A 88 -7.166 -12.981 -17.568 1.00 52.21 O ATOM 1356 CG2 THR A 88 -7.618 -10.713 -18.289 1.00 13.40 C ATOM 0 H THR A 88 -9.503 -9.862 -16.673 1.00 63.53 H new ATOM 0 HA THR A 88 -8.778 -12.442 -15.505 1.00 10.13 H new ATOM 0 HB THR A 88 -9.067 -12.246 -17.943 1.00 55.02 H new ATOM 0 HG1 THR A 88 -6.662 -13.022 -16.728 1.00 52.21 H new ATOM 0 HG21 THR A 88 -7.425 -11.010 -19.320 1.00 13.40 H new ATOM 0 HG22 THR A 88 -8.369 -9.923 -18.273 1.00 13.40 H new ATOM 0 HG23 THR A 88 -6.696 -10.346 -17.839 1.00 13.40 H new ATOM 1364 N GLN A 89 -7.036 -9.755 -15.126 1.00 70.33 N ATOM 1365 CA GLN A 89 -5.863 -9.145 -14.489 1.00 24.24 C ATOM 1366 C GLN A 89 -5.926 -9.229 -12.952 1.00 45.11 C ATOM 1367 O GLN A 89 -6.999 -9.394 -12.361 1.00 50.32 O ATOM 1368 CB GLN A 89 -5.732 -7.680 -14.924 1.00 61.11 C ATOM 1369 CG GLN A 89 -6.905 -6.794 -14.509 1.00 24.11 C ATOM 1370 CD GLN A 89 -6.744 -5.354 -14.967 1.00 73.54 C ATOM 1371 OE1 GLN A 89 -5.634 -4.848 -15.087 1.00 71.44 O ATOM 1372 NE2 GLN A 89 -7.846 -4.679 -15.227 1.00 13.51 N ATOM 0 H GLN A 89 -7.767 -9.089 -15.378 1.00 70.33 H new ATOM 0 HA GLN A 89 -4.988 -9.707 -14.814 1.00 24.24 H new ATOM 0 HB2 GLN A 89 -4.814 -7.269 -14.503 1.00 61.11 H new ATOM 0 HB3 GLN A 89 -5.630 -7.643 -16.009 1.00 61.11 H new ATOM 0 HG2 GLN A 89 -7.827 -7.202 -14.923 1.00 24.11 H new ATOM 0 HG3 GLN A 89 -7.006 -6.817 -13.424 1.00 24.11 H new ATOM 0 HE21 GLN A 89 -8.756 -5.127 -15.118 1.00 13.51 H new ATOM 0 HE22 GLN A 89 -7.789 -3.709 -15.537 1.00 13.51 H new ATOM 1381 N LYS A 90 -4.764 -9.107 -12.312 1.00 1.22 N ATOM 1382 CA LYS A 90 -4.674 -9.157 -10.846 1.00 24.12 C ATOM 1383 C LYS A 90 -4.175 -7.822 -10.260 1.00 31.04 C ATOM 1384 O LYS A 90 -3.297 -7.164 -10.827 1.00 34.42 O ATOM 1385 CB LYS A 90 -3.742 -10.299 -10.409 1.00 71.44 C ATOM 1386 CG LYS A 90 -2.316 -10.170 -10.939 1.00 65.45 C ATOM 1387 CD LYS A 90 -1.389 -11.245 -10.380 1.00 62.13 C ATOM 1388 CE LYS A 90 -1.864 -12.649 -10.720 1.00 51.44 C ATOM 1389 NZ LYS A 90 -0.917 -13.682 -10.227 1.00 14.33 N ATOM 0 H LYS A 90 -3.869 -8.973 -12.782 1.00 1.22 H new ATOM 0 HA LYS A 90 -5.677 -9.339 -10.461 1.00 24.12 H new ATOM 0 HB2 LYS A 90 -3.713 -10.335 -9.320 1.00 71.44 H new ATOM 0 HB3 LYS A 90 -4.161 -11.247 -10.748 1.00 71.44 H new ATOM 0 HG2 LYS A 90 -2.328 -10.234 -12.027 1.00 65.45 H new ATOM 0 HG3 LYS A 90 -1.923 -9.186 -10.682 1.00 65.45 H new ATOM 0 HD2 LYS A 90 -0.384 -11.098 -10.776 1.00 62.13 H new ATOM 0 HD3 LYS A 90 -1.323 -11.138 -9.297 1.00 62.13 H new ATOM 0 HE2 LYS A 90 -2.847 -12.817 -10.281 1.00 51.44 H new ATOM 0 HE3 LYS A 90 -1.977 -12.744 -11.800 1.00 51.44 H new ATOM 0 HZ1 LYS A 90 -1.273 -14.627 -10.477 1.00 14.33 H new ATOM 0 HZ2 LYS A 90 0.015 -13.536 -10.665 1.00 14.33 H new ATOM 0 HZ3 LYS A 90 -0.829 -13.607 -9.193 1.00 14.33 H new ATOM 1403 N ALA A 91 -4.737 -7.435 -9.114 1.00 22.03 N ATOM 1404 CA ALA A 91 -4.341 -6.201 -8.424 1.00 42.53 C ATOM 1405 C ALA A 91 -3.582 -6.503 -7.124 1.00 4.32 C ATOM 1406 O ALA A 91 -3.785 -7.545 -6.498 1.00 41.24 O ATOM 1407 CB ALA A 91 -5.570 -5.349 -8.133 1.00 4.11 C ATOM 0 H ALA A 91 -5.472 -7.960 -8.640 1.00 22.03 H new ATOM 0 HA ALA A 91 -3.668 -5.649 -9.080 1.00 42.53 H new ATOM 0 HB1 ALA A 91 -5.267 -4.436 -7.621 1.00 4.11 H new ATOM 0 HB2 ALA A 91 -6.065 -5.093 -9.070 1.00 4.11 H new ATOM 0 HB3 ALA A 91 -6.259 -5.908 -7.500 1.00 4.11 H new ATOM 1413 N LEU A 92 -2.712 -5.585 -6.715 1.00 65.13 N ATOM 1414 CA LEU A 92 -1.903 -5.776 -5.507 1.00 31.14 C ATOM 1415 C LEU A 92 -2.681 -5.395 -4.231 1.00 2.24 C ATOM 1416 O LEU A 92 -3.015 -4.229 -4.020 1.00 31.12 O ATOM 1417 CB LEU A 92 -0.607 -4.957 -5.608 1.00 44.04 C ATOM 1418 CG LEU A 92 0.359 -5.095 -4.418 1.00 71.03 C ATOM 1419 CD1 LEU A 92 0.963 -6.497 -4.367 1.00 32.14 C ATOM 1420 CD2 LEU A 92 1.455 -4.033 -4.493 1.00 61.02 C ATOM 0 H LEU A 92 -2.546 -4.702 -7.198 1.00 65.13 H new ATOM 0 HA LEU A 92 -1.656 -6.835 -5.435 1.00 31.14 H new ATOM 0 HB2 LEU A 92 -0.081 -5.252 -6.516 1.00 44.04 H new ATOM 0 HB3 LEU A 92 -0.870 -3.905 -5.720 1.00 44.04 H new ATOM 0 HG LEU A 92 -0.206 -4.940 -3.499 1.00 71.03 H new ATOM 0 HD11 LEU A 92 1.642 -6.570 -3.518 1.00 32.14 H new ATOM 0 HD12 LEU A 92 0.166 -7.233 -4.259 1.00 32.14 H new ATOM 0 HD13 LEU A 92 1.512 -6.690 -5.288 1.00 32.14 H new ATOM 0 HD21 LEU A 92 2.129 -4.145 -3.644 1.00 61.02 H new ATOM 0 HD22 LEU A 92 2.016 -4.154 -5.420 1.00 61.02 H new ATOM 0 HD23 LEU A 92 1.003 -3.041 -4.469 1.00 61.02 H new ATOM 1432 N TYR A 93 -2.979 -6.392 -3.394 1.00 44.55 N ATOM 1433 CA TYR A 93 -3.646 -6.161 -2.104 1.00 74.33 C ATOM 1434 C TYR A 93 -2.648 -6.263 -0.938 1.00 73.12 C ATOM 1435 O TYR A 93 -1.762 -7.123 -0.928 1.00 60.24 O ATOM 1436 CB TYR A 93 -4.814 -7.143 -1.914 1.00 12.44 C ATOM 1437 CG TYR A 93 -6.000 -6.859 -2.827 1.00 21.31 C ATOM 1438 CD1 TYR A 93 -5.986 -7.235 -4.167 1.00 32.31 C ATOM 1439 CD2 TYR A 93 -7.131 -6.203 -2.345 1.00 32.33 C ATOM 1440 CE1 TYR A 93 -7.061 -6.966 -4.998 1.00 42.41 C ATOM 1441 CE2 TYR A 93 -8.208 -5.933 -3.170 1.00 71.05 C ATOM 1442 CZ TYR A 93 -8.169 -6.315 -4.494 1.00 11.34 C ATOM 1443 OH TYR A 93 -9.241 -6.043 -5.320 1.00 40.24 O ATOM 0 H TYR A 93 -2.769 -7.372 -3.585 1.00 44.55 H new ATOM 0 HA TYR A 93 -4.049 -5.148 -2.109 1.00 74.33 H new ATOM 0 HB2 TYR A 93 -4.459 -8.157 -2.097 1.00 12.44 H new ATOM 0 HB3 TYR A 93 -5.146 -7.104 -0.877 1.00 12.44 H new ATOM 0 HD1 TYR A 93 -5.122 -7.745 -4.566 1.00 32.31 H new ATOM 0 HD2 TYR A 93 -7.167 -5.900 -1.309 1.00 32.33 H new ATOM 0 HE1 TYR A 93 -7.032 -7.264 -6.036 1.00 42.41 H new ATOM 0 HE2 TYR A 93 -9.077 -5.425 -2.778 1.00 71.05 H new ATOM 0 HH TYR A 93 -9.939 -5.582 -4.809 1.00 40.24 H new ATOM 1453 N LEU A 94 -2.799 -5.376 0.042 1.00 14.31 N ATOM 1454 CA LEU A 94 -1.817 -5.228 1.126 1.00 34.53 C ATOM 1455 C LEU A 94 -2.458 -5.410 2.515 1.00 11.33 C ATOM 1456 O LEU A 94 -3.664 -5.232 2.679 1.00 52.34 O ATOM 1457 CB LEU A 94 -1.204 -3.821 1.046 1.00 3.20 C ATOM 1458 CG LEU A 94 -0.715 -3.386 -0.347 1.00 41.04 C ATOM 1459 CD1 LEU A 94 -0.237 -1.935 -0.324 1.00 51.13 C ATOM 1460 CD2 LEU A 94 0.391 -4.307 -0.853 1.00 50.54 C ATOM 0 H LEU A 94 -3.595 -4.743 0.112 1.00 14.31 H new ATOM 0 HA LEU A 94 -1.058 -6.000 1.002 1.00 34.53 H new ATOM 0 HB2 LEU A 94 -1.946 -3.101 1.392 1.00 3.20 H new ATOM 0 HB3 LEU A 94 -0.364 -3.771 1.738 1.00 3.20 H new ATOM 0 HG LEU A 94 -1.557 -3.460 -1.035 1.00 41.04 H new ATOM 0 HD11 LEU A 94 0.104 -1.649 -1.319 1.00 51.13 H new ATOM 0 HD12 LEU A 94 -1.059 -1.286 -0.021 1.00 51.13 H new ATOM 0 HD13 LEU A 94 0.585 -1.834 0.385 1.00 51.13 H new ATOM 0 HD21 LEU A 94 0.717 -3.976 -1.839 1.00 50.54 H new ATOM 0 HD22 LEU A 94 1.234 -4.277 -0.163 1.00 50.54 H new ATOM 0 HD23 LEU A 94 0.013 -5.327 -0.919 1.00 50.54 H new ATOM 1472 N ARG A 95 -1.642 -5.763 3.513 1.00 52.53 N ATOM 1473 CA ARG A 95 -2.089 -5.760 4.918 1.00 34.31 C ATOM 1474 C ARG A 95 -0.896 -5.652 5.890 1.00 21.32 C ATOM 1475 O ARG A 95 0.258 -5.819 5.495 1.00 64.42 O ATOM 1476 CB ARG A 95 -2.937 -6.999 5.244 1.00 44.51 C ATOM 1477 CG ARG A 95 -2.180 -8.322 5.224 1.00 72.13 C ATOM 1478 CD ARG A 95 -3.078 -9.475 5.672 1.00 64.04 C ATOM 1479 NE ARG A 95 -3.668 -9.218 6.988 1.00 41.21 N ATOM 1480 CZ ARG A 95 -4.902 -9.500 7.313 1.00 45.42 C ATOM 1481 NH1 ARG A 95 -5.698 -10.076 6.467 1.00 41.25 N ATOM 1482 NH2 ARG A 95 -5.335 -9.195 8.493 1.00 43.32 N ATOM 0 H ARG A 95 -0.673 -6.054 3.380 1.00 52.53 H new ATOM 0 HA ARG A 95 -2.716 -4.878 5.050 1.00 34.31 H new ATOM 0 HB2 ARG A 95 -3.381 -6.867 6.230 1.00 44.51 H new ATOM 0 HB3 ARG A 95 -3.758 -7.057 4.530 1.00 44.51 H new ATOM 0 HG2 ARG A 95 -1.807 -8.516 4.218 1.00 72.13 H new ATOM 0 HG3 ARG A 95 -1.311 -8.258 5.879 1.00 72.13 H new ATOM 0 HD2 ARG A 95 -3.871 -9.625 4.940 1.00 64.04 H new ATOM 0 HD3 ARG A 95 -2.498 -10.397 5.706 1.00 64.04 H new ATOM 0 HE ARG A 95 -3.075 -8.790 7.699 1.00 41.21 H new ATOM 0 HH11 ARG A 95 -5.364 -10.315 5.534 1.00 41.25 H new ATOM 0 HH12 ARG A 95 -6.659 -10.290 6.735 1.00 41.25 H new ATOM 0 HH21 ARG A 95 -4.715 -8.738 9.161 1.00 43.32 H new ATOM 0 HH22 ARG A 95 -6.297 -9.411 8.755 1.00 43.32 H new ATOM 1496 N ALA A 96 -1.186 -5.367 7.161 1.00 73.34 N ATOM 1497 CA ALA A 96 -0.137 -5.126 8.165 1.00 61.02 C ATOM 1498 C ALA A 96 0.627 -6.406 8.555 1.00 71.51 C ATOM 1499 O ALA A 96 0.063 -7.502 8.587 1.00 11.03 O ATOM 1500 CB ALA A 96 -0.744 -4.473 9.403 1.00 41.31 C ATOM 0 H ALA A 96 -2.137 -5.296 7.523 1.00 73.34 H new ATOM 0 HA ALA A 96 0.592 -4.454 7.711 1.00 61.02 H new ATOM 0 HB1 ALA A 96 0.038 -4.297 10.142 1.00 41.31 H new ATOM 0 HB2 ALA A 96 -1.202 -3.523 9.126 1.00 41.31 H new ATOM 0 HB3 ALA A 96 -1.503 -5.131 9.827 1.00 41.31 H new ATOM 1506 N LYS A 97 1.919 -6.244 8.857 1.00 4.12 N ATOM 1507 CA LYS A 97 2.786 -7.360 9.262 1.00 34.24 C ATOM 1508 C LYS A 97 2.726 -7.612 10.781 1.00 21.40 C ATOM 1509 O LYS A 97 2.707 -6.677 11.581 1.00 41.24 O ATOM 1510 CB LYS A 97 4.237 -7.063 8.846 1.00 33.53 C ATOM 1511 CG LYS A 97 5.268 -8.083 9.340 1.00 30.54 C ATOM 1512 CD LYS A 97 5.166 -9.425 8.613 1.00 13.01 C ATOM 1513 CE LYS A 97 5.545 -9.303 7.138 1.00 54.53 C ATOM 1514 NZ LYS A 97 5.666 -10.630 6.481 1.00 3.00 N ATOM 0 H LYS A 97 2.393 -5.341 8.829 1.00 4.12 H new ATOM 0 HA LYS A 97 2.428 -8.259 8.761 1.00 34.24 H new ATOM 0 HB2 LYS A 97 4.286 -7.016 7.758 1.00 33.53 H new ATOM 0 HB3 LYS A 97 4.513 -6.077 9.221 1.00 33.53 H new ATOM 0 HG2 LYS A 97 6.270 -7.676 9.204 1.00 30.54 H new ATOM 0 HG3 LYS A 97 5.132 -8.243 10.410 1.00 30.54 H new ATOM 0 HD2 LYS A 97 5.819 -10.151 9.097 1.00 13.01 H new ATOM 0 HD3 LYS A 97 4.148 -9.807 8.696 1.00 13.01 H new ATOM 0 HE2 LYS A 97 4.793 -8.709 6.619 1.00 54.53 H new ATOM 0 HE3 LYS A 97 6.490 -8.768 7.050 1.00 54.53 H new ATOM 0 HZ1 LYS A 97 5.924 -10.500 5.482 1.00 3.00 H new ATOM 0 HZ2 LYS A 97 6.402 -11.188 6.959 1.00 3.00 H new ATOM 0 HZ3 LYS A 97 4.757 -11.131 6.541 1.00 3.00 H new