USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 Single : A 18 ASN : amide:sc= -0.959 K(o=-0.96,f=-3.9!) USER MOD Single : A 21 MET CE :methyl 178:sc= -0.337 (180deg=-0.345) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0.808 (180deg=0.768) USER MOD Single : A 32 TYR OH : rot -15:sc= -0.868 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.309 (180deg=-0.464) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.216 F(o=-0.86,f=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.923) USER MOD Single : A 58 GLN : amide:sc= 0.752 K(o=0.75,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.619 K(o=-0.62,f=-9.4!) 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0716) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -8.000 9.567 2.350 1.00 64.21 N ATOM 284 CA ASN A 18 -6.944 8.601 2.733 1.00 71.34 C ATOM 285 C ASN A 18 -6.400 7.818 1.512 1.00 32.22 C ATOM 286 O ASN A 18 -7.161 7.414 0.632 1.00 40.31 O ATOM 287 CB ASN A 18 -7.485 7.629 3.799 1.00 25.13 C ATOM 288 CG ASN A 18 -6.436 6.656 4.303 1.00 55.45 C ATOM 289 OD1 ASN A 18 -6.221 5.598 3.724 1.00 4.25 O ATOM 290 ND2 ASN A 18 -5.772 7.007 5.385 1.00 23.23 N ATOM 0 HA ASN A 18 -6.110 9.167 3.148 1.00 71.34 H new ATOM 0 HB2 ASN A 18 -7.875 8.202 4.640 1.00 25.13 H new ATOM 0 HB3 ASN A 18 -8.321 7.068 3.380 1.00 25.13 H new ATOM 0 HD21 ASN A 18 -5.054 6.390 5.765 1.00 23.23 H new ATOM 0 HD22 ASN A 18 -5.976 7.895 5.843 1.00 23.23 H new ATOM 297 N PRO A 19 -5.067 7.580 1.443 1.00 40.34 N ATOM 298 CA PRO A 19 -4.446 6.847 0.315 1.00 50.14 C ATOM 299 C PRO A 19 -5.070 5.460 0.060 1.00 71.12 C ATOM 300 O PRO A 19 -5.350 5.098 -1.084 1.00 20.42 O ATOM 301 CB PRO A 19 -2.968 6.711 0.736 1.00 43.13 C ATOM 302 CG PRO A 19 -2.940 7.020 2.199 1.00 61.04 C ATOM 303 CD PRO A 19 -4.055 8.001 2.431 1.00 61.15 C ATOM 0 HA PRO A 19 -4.591 7.380 -0.625 1.00 50.14 H new ATOM 0 HB2 PRO A 19 -2.595 5.706 0.540 1.00 43.13 H new ATOM 0 HB3 PRO A 19 -2.335 7.401 0.177 1.00 43.13 H new ATOM 0 HG2 PRO A 19 -3.084 6.117 2.792 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -1.979 7.444 2.491 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -4.437 7.946 3.450 1.00 61.15 H new ATOM 0 HD3 PRO A 19 -3.731 9.029 2.266 1.00 61.15 H new ATOM 311 N VAL A 20 -5.293 4.694 1.128 1.00 23.02 N ATOM 312 CA VAL A 20 -5.851 3.339 1.005 1.00 71.22 C ATOM 313 C VAL A 20 -7.261 3.356 0.397 1.00 73.40 C ATOM 314 O VAL A 20 -7.573 2.570 -0.503 1.00 22.14 O ATOM 315 CB VAL A 20 -5.900 2.612 2.377 1.00 73.33 C ATOM 316 CG1 VAL A 20 -6.511 1.212 2.240 1.00 73.23 C ATOM 317 CG2 VAL A 20 -4.504 2.542 2.997 1.00 72.20 C ATOM 0 H VAL A 20 -5.098 4.983 2.086 1.00 23.02 H new ATOM 0 HA VAL A 20 -5.183 2.795 0.337 1.00 71.22 H new ATOM 0 HB VAL A 20 -6.542 3.189 3.043 1.00 73.33 H new ATOM 0 HG11 VAL A 20 -6.532 0.727 3.216 1.00 73.23 H new ATOM 0 HG12 VAL A 20 -7.527 1.295 1.854 1.00 73.23 H new ATOM 0 HG13 VAL A 20 -5.909 0.618 1.553 1.00 73.23 H new ATOM 0 HG21 VAL A 20 -4.558 2.030 3.958 1.00 72.20 H new ATOM 0 HG22 VAL A 20 -3.837 1.995 2.331 1.00 72.20 H new ATOM 0 HG23 VAL A 20 -4.121 3.552 3.145 1.00 72.20 H new ATOM 327 N MET A 21 -8.110 4.258 0.886 1.00 73.03 N ATOM 328 CA MET A 21 -9.503 4.324 0.433 1.00 23.05 C ATOM 329 C MET A 21 -9.643 5.016 -0.936 1.00 33.33 C ATOM 330 O MET A 21 -10.629 4.798 -1.644 1.00 62.04 O ATOM 331 CB MET A 21 -10.383 5.018 1.479 1.00 44.13 C ATOM 332 CG MET A 21 -10.418 4.299 2.825 1.00 45.31 C ATOM 333 SD MET A 21 -11.666 4.962 3.951 1.00 61.11 S ATOM 334 CE MET A 21 -11.080 6.640 4.182 1.00 14.24 C ATOM 0 H MET A 21 -7.862 4.951 1.592 1.00 73.03 H new ATOM 0 HA MET A 21 -9.845 3.296 0.310 1.00 23.05 H new ATOM 0 HB2 MET A 21 -10.020 6.035 1.629 1.00 44.13 H new ATOM 0 HB3 MET A 21 -11.399 5.096 1.092 1.00 44.13 H new ATOM 0 HG2 MET A 21 -10.613 3.240 2.659 1.00 45.31 H new ATOM 0 HG3 MET A 21 -9.437 4.373 3.295 1.00 45.31 H new ATOM 0 HE1 MET A 21 -11.772 7.182 4.827 1.00 14.24 H new ATOM 0 HE2 MET A 21 -10.093 6.620 4.644 1.00 14.24 H new ATOM 0 HE3 MET A 21 -11.018 7.140 3.215 1.00 14.24 H new ATOM 344 N GLU A 22 -8.674 5.854 -1.312 1.00 1.13 N ATOM 345 CA GLU A 22 -8.657 6.433 -2.664 1.00 73.21 C ATOM 346 C GLU A 22 -8.199 5.390 -3.692 1.00 4.12 C ATOM 347 O GLU A 22 -8.881 5.145 -4.689 1.00 53.44 O ATOM 348 CB GLU A 22 -7.762 7.678 -2.747 1.00 31.22 C ATOM 349 CG GLU A 22 -7.594 8.198 -4.177 1.00 22.45 C ATOM 350 CD GLU A 22 -6.931 9.564 -4.250 1.00 20.41 C ATOM 351 OE1 GLU A 22 -5.683 9.631 -4.308 1.00 24.45 O ATOM 352 OE2 GLU A 22 -7.659 10.577 -4.268 1.00 32.13 O ATOM 0 H GLU A 22 -7.901 6.145 -0.713 1.00 1.13 H new ATOM 0 HA GLU A 22 -9.677 6.741 -2.893 1.00 73.21 H new ATOM 0 HB2 GLU A 22 -8.188 8.467 -2.127 1.00 31.22 H new ATOM 0 HB3 GLU A 22 -6.781 7.442 -2.334 1.00 31.22 H new ATOM 0 HG2 GLU A 22 -7.001 7.484 -4.748 1.00 22.45 H new ATOM 0 HG3 GLU A 22 -8.573 8.252 -4.653 1.00 22.45 H new ATOM 359 N LEU A 23 -7.048 4.765 -3.434 1.00 21.10 N ATOM 360 CA LEU A 23 -6.539 3.689 -4.293 1.00 14.23 C ATOM 361 C LEU A 23 -7.607 2.600 -4.488 1.00 71.12 C ATOM 362 O LEU A 23 -7.727 2.013 -5.565 1.00 63.15 O ATOM 363 CB LEU A 23 -5.265 3.085 -3.680 1.00 24.51 C ATOM 364 CG LEU A 23 -4.592 1.974 -4.508 1.00 72.51 C ATOM 365 CD1 LEU A 23 -4.114 2.506 -5.861 1.00 52.41 C ATOM 366 CD2 LEU A 23 -3.433 1.355 -3.727 1.00 63.43 C ATOM 0 H LEU A 23 -6.450 4.984 -2.638 1.00 21.10 H new ATOM 0 HA LEU A 23 -6.297 4.108 -5.270 1.00 14.23 H new ATOM 0 HB2 LEU A 23 -4.543 3.886 -3.525 1.00 24.51 H new ATOM 0 HB3 LEU A 23 -5.511 2.683 -2.697 1.00 24.51 H new ATOM 0 HG LEU A 23 -5.333 1.198 -4.700 1.00 72.51 H new ATOM 0 HD11 LEU A 23 -3.643 1.700 -6.423 1.00 52.41 H new ATOM 0 HD12 LEU A 23 -4.966 2.891 -6.422 1.00 52.41 H new ATOM 0 HD13 LEU A 23 -3.392 3.307 -5.702 1.00 52.41 H new ATOM 0 HD21 LEU A 23 -2.968 0.572 -4.326 1.00 63.43 H new ATOM 0 HD22 LEU A 23 -2.695 2.125 -3.500 1.00 63.43 H new ATOM 0 HD23 LEU A 23 -3.808 0.927 -2.798 1.00 63.43 H new ATOM 378 N ASN A 24 -8.392 2.365 -3.437 1.00 41.11 N ATOM 379 CA ASN A 24 -9.506 1.410 -3.474 1.00 4.35 C ATOM 380 C ASN A 24 -10.505 1.758 -4.598 1.00 2.31 C ATOM 381 O ASN A 24 -11.083 0.875 -5.236 1.00 71.13 O ATOM 382 CB ASN A 24 -10.226 1.427 -2.116 1.00 1.01 C ATOM 383 CG ASN A 24 -10.957 0.133 -1.821 1.00 15.14 C ATOM 384 OD1 ASN A 24 -12.103 -0.060 -2.214 1.00 3.11 O ATOM 385 ND2 ASN A 24 -10.309 -0.757 -1.094 1.00 55.14 N ATOM 0 H ASN A 24 -8.276 2.829 -2.536 1.00 41.11 H new ATOM 0 HA ASN A 24 -9.106 0.416 -3.676 1.00 4.35 H new ATOM 0 HB2 ASN A 24 -9.498 1.616 -1.327 1.00 1.01 H new ATOM 0 HB3 ASN A 24 -10.937 2.253 -2.098 1.00 1.01 H new ATOM 0 HD21 ASN A 24 -10.760 -1.637 -0.843 1.00 55.14 H new ATOM 0 HD22 ASN A 24 -9.357 -0.566 -0.783 1.00 55.14 H new ATOM 392 N GLU A 25 -10.707 3.057 -4.824 1.00 23.20 N ATOM 393 CA GLU A 25 -11.631 3.540 -5.861 1.00 10.41 C ATOM 394 C GLU A 25 -10.953 3.579 -7.241 1.00 42.51 C ATOM 395 O GLU A 25 -11.608 3.442 -8.278 1.00 74.25 O ATOM 396 CB GLU A 25 -12.138 4.946 -5.502 1.00 34.35 C ATOM 397 CG GLU A 25 -12.709 5.052 -4.091 1.00 60.01 C ATOM 398 CD GLU A 25 -13.149 6.463 -3.722 1.00 44.15 C ATOM 399 OE1 GLU A 25 -12.450 7.432 -4.080 1.00 12.12 O ATOM 400 OE2 GLU A 25 -14.196 6.610 -3.053 1.00 50.35 O ATOM 0 H GLU A 25 -10.242 3.800 -4.302 1.00 23.20 H new ATOM 0 HA GLU A 25 -12.470 2.846 -5.908 1.00 10.41 H new ATOM 0 HB2 GLU A 25 -11.317 5.656 -5.606 1.00 34.35 H new ATOM 0 HB3 GLU A 25 -12.906 5.239 -6.218 1.00 34.35 H new ATOM 0 HG2 GLU A 25 -13.561 4.378 -4.000 1.00 60.01 H new ATOM 0 HG3 GLU A 25 -11.958 4.715 -3.377 1.00 60.01 H new ATOM 407 N LYS A 26 -9.633 3.772 -7.242 1.00 44.52 N ATOM 408 CA LYS A 26 -8.856 3.882 -8.485 1.00 33.03 C ATOM 409 C LYS A 26 -8.600 2.503 -9.125 1.00 2.41 C ATOM 410 O LYS A 26 -8.550 2.377 -10.349 1.00 42.32 O ATOM 411 CB LYS A 26 -7.518 4.583 -8.205 1.00 42.31 C ATOM 412 CG LYS A 26 -7.646 5.910 -7.458 1.00 13.23 C ATOM 413 CD LYS A 26 -8.458 6.954 -8.224 1.00 21.35 C ATOM 414 CE LYS A 26 -7.757 7.403 -9.504 1.00 34.05 C ATOM 415 NZ LYS A 26 -8.498 8.493 -10.188 1.00 42.22 N ATOM 0 H LYS A 26 -9.074 3.856 -6.393 1.00 44.52 H new ATOM 0 HA LYS A 26 -9.441 4.472 -9.190 1.00 33.03 H new ATOM 0 HB2 LYS A 26 -6.885 3.912 -7.624 1.00 42.31 H new ATOM 0 HB3 LYS A 26 -7.009 4.761 -9.153 1.00 42.31 H new ATOM 0 HG2 LYS A 26 -8.116 5.732 -6.491 1.00 13.23 H new ATOM 0 HG3 LYS A 26 -6.650 6.306 -7.261 1.00 13.23 H new ATOM 0 HD2 LYS A 26 -9.436 6.541 -8.473 1.00 21.35 H new ATOM 0 HD3 LYS A 26 -8.631 7.819 -7.584 1.00 21.35 H new ATOM 0 HE2 LYS A 26 -6.749 7.743 -9.266 1.00 34.05 H new ATOM 0 HE3 LYS A 26 -7.655 6.554 -10.179 1.00 34.05 H new ATOM 0 HZ1 LYS A 26 -7.990 8.769 -11.052 1.00 42.22 H new ATOM 0 HZ2 LYS A 26 -9.451 8.161 -10.438 1.00 42.22 H new ATOM 0 HZ3 LYS A 26 -8.573 9.313 -9.553 1.00 42.22 H new ATOM 429 N ARG A 27 -8.420 1.479 -8.286 1.00 33.14 N ATOM 430 CA ARG A 27 -8.189 0.100 -8.751 1.00 3.01 C ATOM 431 C ARG A 27 -8.940 -0.910 -7.864 1.00 45.45 C ATOM 432 O ARG A 27 -8.772 -0.923 -6.646 1.00 24.40 O ATOM 433 CB ARG A 27 -6.682 -0.227 -8.743 1.00 71.42 C ATOM 434 CG ARG A 27 -5.861 0.510 -9.804 1.00 15.30 C ATOM 435 CD ARG A 27 -6.205 0.052 -11.220 1.00 35.41 C ATOM 436 NE ARG A 27 -5.420 0.760 -12.238 1.00 14.23 N ATOM 437 CZ ARG A 27 -5.365 0.416 -13.497 1.00 33.33 C ATOM 438 NH1 ARG A 27 -5.982 -0.642 -13.921 1.00 23.34 N ATOM 439 NH2 ARG A 27 -4.674 1.124 -14.331 1.00 11.30 N ATOM 0 H ARG A 27 -8.429 1.577 -7.271 1.00 33.14 H new ATOM 0 HA ARG A 27 -8.567 0.023 -9.770 1.00 3.01 H new ATOM 0 HB2 ARG A 27 -6.278 0.012 -7.759 1.00 71.42 H new ATOM 0 HB3 ARG A 27 -6.556 -1.300 -8.887 1.00 71.42 H new ATOM 0 HG2 ARG A 27 -6.038 1.582 -9.718 1.00 15.30 H new ATOM 0 HG3 ARG A 27 -4.800 0.346 -9.619 1.00 15.30 H new ATOM 0 HD2 ARG A 27 -6.027 -1.020 -11.307 1.00 35.41 H new ATOM 0 HD3 ARG A 27 -7.267 0.214 -11.405 1.00 35.41 H new ATOM 0 HE ARG A 27 -4.882 1.575 -11.943 1.00 14.23 H new ATOM 0 HH11 ARG A 27 -6.518 -1.216 -13.269 1.00 23.34 H new ATOM 0 HH12 ARG A 27 -5.932 -0.901 -14.906 1.00 23.34 H new ATOM 0 HH21 ARG A 27 -4.173 1.950 -14.005 1.00 11.30 H new ATOM 0 HH22 ARG A 27 -4.631 0.856 -15.314 1.00 11.30 H new ATOM 453 N ARG A 28 -9.762 -1.760 -8.480 1.00 2.01 N ATOM 454 CA ARG A 28 -10.542 -2.755 -7.726 1.00 13.10 C ATOM 455 C ARG A 28 -9.726 -4.030 -7.460 1.00 32.54 C ATOM 456 O ARG A 28 -8.819 -4.372 -8.220 1.00 70.33 O ATOM 457 CB ARG A 28 -11.837 -3.134 -8.471 1.00 21.12 C ATOM 458 CG ARG A 28 -12.821 -1.981 -8.689 1.00 32.22 C ATOM 459 CD ARG A 28 -12.379 -1.048 -9.814 1.00 32.51 C ATOM 460 NE ARG A 28 -13.430 -0.112 -10.204 1.00 52.42 N ATOM 461 CZ ARG A 28 -14.114 -0.203 -11.315 1.00 22.15 C ATOM 462 NH1 ARG A 28 -13.910 -1.184 -12.136 1.00 23.33 N ATOM 463 NH2 ARG A 28 -15.008 0.681 -11.602 1.00 43.34 N ATOM 0 H ARG A 28 -9.908 -1.784 -9.489 1.00 2.01 H new ATOM 0 HA ARG A 28 -10.798 -2.292 -6.773 1.00 13.10 H new ATOM 0 HB2 ARG A 28 -11.570 -3.552 -9.442 1.00 21.12 H new ATOM 0 HB3 ARG A 28 -12.342 -3.922 -7.912 1.00 21.12 H new ATOM 0 HG2 ARG A 28 -13.806 -2.386 -8.921 1.00 32.22 H new ATOM 0 HG3 ARG A 28 -12.920 -1.411 -7.765 1.00 32.22 H new ATOM 0 HD2 ARG A 28 -11.499 -0.490 -9.495 1.00 32.51 H new ATOM 0 HD3 ARG A 28 -12.084 -1.641 -10.680 1.00 32.51 H new ATOM 0 HE ARG A 28 -13.644 0.659 -9.572 1.00 52.42 H new ATOM 0 HH11 ARG A 28 -13.211 -1.894 -11.918 1.00 23.33 H new ATOM 0 HH12 ARG A 28 -14.449 -1.246 -13.000 1.00 23.33 H new ATOM 0 HH21 ARG A 28 -15.184 1.455 -10.961 1.00 43.34 H new ATOM 0 HH22 ARG A 28 -15.539 0.606 -12.470 1.00 43.34 H new ATOM 477 N GLY A 29 -10.067 -4.735 -6.382 1.00 14.22 N ATOM 478 CA GLY A 29 -9.401 -5.994 -6.052 1.00 53.30 C ATOM 479 C GLY A 29 -7.952 -5.831 -5.600 1.00 72.04 C ATOM 480 O GLY A 29 -7.031 -6.338 -6.242 1.00 35.23 O ATOM 0 H GLY A 29 -10.797 -4.458 -5.725 1.00 14.22 H new ATOM 0 HA2 GLY A 29 -9.963 -6.494 -5.263 1.00 53.30 H new ATOM 0 HA3 GLY A 29 -9.427 -6.647 -6.925 1.00 53.30 H new ATOM 484 N LEU A 30 -7.747 -5.138 -4.485 1.00 52.34 N ATOM 485 CA LEU A 30 -6.399 -4.904 -3.953 1.00 20.35 C ATOM 486 C LEU A 30 -6.043 -5.918 -2.854 1.00 50.34 C ATOM 487 O LEU A 30 -6.920 -6.579 -2.294 1.00 44.22 O ATOM 488 CB LEU A 30 -6.294 -3.476 -3.399 1.00 61.33 C ATOM 489 CG LEU A 30 -6.651 -2.360 -4.395 1.00 11.10 C ATOM 490 CD1 LEU A 30 -6.562 -0.989 -3.727 1.00 74.44 C ATOM 491 CD2 LEU A 30 -5.748 -2.425 -5.628 1.00 3.43 C ATOM 0 H LEU A 30 -8.495 -4.726 -3.928 1.00 52.34 H new ATOM 0 HA LEU A 30 -5.690 -5.031 -4.771 1.00 20.35 H new ATOM 0 HB2 LEU A 30 -6.949 -3.391 -2.532 1.00 61.33 H new ATOM 0 HB3 LEU A 30 -5.275 -3.314 -3.046 1.00 61.33 H new ATOM 0 HG LEU A 30 -7.680 -2.511 -4.721 1.00 11.10 H new ATOM 0 HD11 LEU A 30 -6.819 -0.215 -4.450 1.00 74.44 H new ATOM 0 HD12 LEU A 30 -7.257 -0.947 -2.888 1.00 74.44 H new ATOM 0 HD13 LEU A 30 -5.547 -0.826 -3.365 1.00 74.44 H new ATOM 0 HD21 LEU A 30 -6.018 -1.627 -6.319 1.00 3.43 H new ATOM 0 HD22 LEU A 30 -4.708 -2.306 -5.324 1.00 3.43 H new ATOM 0 HD23 LEU A 30 -5.874 -3.389 -6.121 1.00 3.43 H new ATOM 503 N LYS A 31 -4.756 -6.028 -2.540 1.00 30.42 N ATOM 504 CA LYS A 31 -4.286 -6.974 -1.516 1.00 43.13 C ATOM 505 C LYS A 31 -3.177 -6.358 -0.648 1.00 51.14 C ATOM 506 O LYS A 31 -2.028 -6.263 -1.073 1.00 11.34 O ATOM 507 CB LYS A 31 -3.779 -8.263 -2.187 1.00 34.32 C ATOM 508 CG LYS A 31 -3.286 -9.328 -1.208 1.00 0.14 C ATOM 509 CD LYS A 31 -2.837 -10.594 -1.941 1.00 53.52 C ATOM 510 CE LYS A 31 -2.527 -11.740 -0.983 1.00 10.14 C ATOM 511 NZ LYS A 31 -1.477 -11.376 0.003 1.00 10.13 N ATOM 0 H LYS A 31 -4.016 -5.478 -2.975 1.00 30.42 H new ATOM 0 HA LYS A 31 -5.127 -7.211 -0.864 1.00 43.13 H new ATOM 0 HB2 LYS A 31 -4.582 -8.685 -2.791 1.00 34.32 H new ATOM 0 HB3 LYS A 31 -2.967 -8.009 -2.869 1.00 34.32 H new ATOM 0 HG2 LYS A 31 -2.457 -8.931 -0.623 1.00 0.14 H new ATOM 0 HG3 LYS A 31 -4.082 -9.575 -0.506 1.00 0.14 H new ATOM 0 HD2 LYS A 31 -3.618 -10.905 -2.635 1.00 53.52 H new ATOM 0 HD3 LYS A 31 -1.951 -10.372 -2.536 1.00 53.52 H new ATOM 0 HE2 LYS A 31 -3.436 -12.026 -0.454 1.00 10.14 H new ATOM 0 HE3 LYS A 31 -2.202 -12.611 -1.553 1.00 10.14 H new ATOM 0 HZ1 LYS A 31 -1.238 -12.209 0.578 1.00 10.13 H new ATOM 0 HZ2 LYS A 31 -0.628 -11.047 -0.500 1.00 10.13 H new ATOM 0 HZ3 LYS A 31 -1.829 -10.618 0.621 1.00 10.13 H new ATOM 525 N TYR A 32 -3.535 -5.928 0.565 1.00 34.54 N ATOM 526 CA TYR A 32 -2.563 -5.374 1.523 1.00 72.01 C ATOM 527 C TYR A 32 -2.099 -6.453 2.519 1.00 23.14 C ATOM 528 O TYR A 32 -2.852 -6.844 3.414 1.00 64.44 O ATOM 529 CB TYR A 32 -3.182 -4.200 2.308 1.00 33.24 C ATOM 530 CG TYR A 32 -3.550 -2.983 1.472 1.00 4.41 C ATOM 531 CD1 TYR A 32 -4.653 -2.995 0.625 1.00 53.12 C ATOM 532 CD2 TYR A 32 -2.799 -1.812 1.550 1.00 41.34 C ATOM 533 CE1 TYR A 32 -4.995 -1.881 -0.119 1.00 12.00 C ATOM 534 CE2 TYR A 32 -3.139 -0.695 0.812 1.00 31.02 C ATOM 535 CZ TYR A 32 -4.237 -0.735 -0.021 1.00 55.42 C ATOM 536 OH TYR A 32 -4.582 0.378 -0.753 1.00 21.30 O ATOM 0 H TYR A 32 -4.494 -5.951 0.912 1.00 34.54 H new ATOM 0 HA TYR A 32 -1.705 -5.018 0.953 1.00 72.01 H new ATOM 0 HB2 TYR A 32 -4.078 -4.556 2.816 1.00 33.24 H new ATOM 0 HB3 TYR A 32 -2.479 -3.890 3.081 1.00 33.24 H new ATOM 0 HD1 TYR A 32 -5.253 -3.890 0.547 1.00 53.12 H new ATOM 0 HD2 TYR A 32 -1.936 -1.777 2.199 1.00 41.34 H new ATOM 0 HE1 TYR A 32 -5.853 -1.909 -0.774 1.00 12.00 H new ATOM 0 HE2 TYR A 32 -2.548 0.206 0.887 1.00 31.02 H new ATOM 0 HH TYR A 32 -5.219 0.125 -1.453 1.00 21.30 H new ATOM 546 N GLU A 33 -0.871 -6.946 2.365 1.00 31.21 N ATOM 547 CA GLU A 33 -0.331 -7.953 3.293 1.00 52.35 C ATOM 548 C GLU A 33 0.880 -7.428 4.081 1.00 62.42 C ATOM 549 O GLU A 33 1.455 -6.394 3.747 1.00 12.31 O ATOM 550 CB GLU A 33 0.058 -9.232 2.543 1.00 61.21 C ATOM 551 CG GLU A 33 1.259 -9.084 1.617 1.00 3.41 C ATOM 552 CD GLU A 33 1.631 -10.400 0.948 1.00 73.23 C ATOM 553 OE1 GLU A 33 1.076 -10.705 -0.130 1.00 61.22 O ATOM 554 OE2 GLU A 33 2.454 -11.153 1.511 1.00 23.40 O ATOM 0 H GLU A 33 -0.233 -6.672 1.617 1.00 31.21 H new ATOM 0 HA GLU A 33 -1.124 -8.178 4.006 1.00 52.35 H new ATOM 0 HB2 GLU A 33 0.272 -10.014 3.272 1.00 61.21 H new ATOM 0 HB3 GLU A 33 -0.797 -9.568 1.957 1.00 61.21 H new ATOM 0 HG2 GLU A 33 1.037 -8.339 0.853 1.00 3.41 H new ATOM 0 HG3 GLU A 33 2.112 -8.713 2.186 1.00 3.41 H new ATOM 561 N LEU A 34 1.260 -8.160 5.128 1.00 22.42 N ATOM 562 CA LEU A 34 2.395 -7.780 5.981 1.00 51.35 C ATOM 563 C LEU A 34 3.684 -8.488 5.533 1.00 2.52 C ATOM 564 O LEU A 34 3.769 -9.719 5.545 1.00 12.55 O ATOM 565 CB LEU A 34 2.092 -8.122 7.450 1.00 3.11 C ATOM 566 CG LEU A 34 3.212 -7.780 8.454 1.00 0.41 C ATOM 567 CD1 LEU A 34 3.469 -6.273 8.496 1.00 0.23 C ATOM 568 CD2 LEU A 34 2.874 -8.313 9.849 1.00 12.13 C ATOM 0 H LEU A 34 0.798 -9.025 5.410 1.00 22.42 H new ATOM 0 HA LEU A 34 2.544 -6.704 5.886 1.00 51.35 H new ATOM 0 HB2 LEU A 34 1.186 -7.594 7.749 1.00 3.11 H new ATOM 0 HB3 LEU A 34 1.878 -9.188 7.520 1.00 3.11 H new ATOM 0 HG LEU A 34 4.126 -8.268 8.116 1.00 0.41 H new ATOM 0 HD11 LEU A 34 4.263 -6.059 9.212 1.00 0.23 H new ATOM 0 HD12 LEU A 34 3.769 -5.927 7.507 1.00 0.23 H new ATOM 0 HD13 LEU A 34 2.558 -5.757 8.800 1.00 0.23 H new ATOM 0 HD21 LEU A 34 3.678 -8.060 10.540 1.00 12.13 H new ATOM 0 HD22 LEU A 34 1.943 -7.863 10.195 1.00 12.13 H new ATOM 0 HD23 LEU A 34 2.759 -9.396 9.807 1.00 12.13 H new ATOM 580 N ILE A 35 4.681 -7.701 5.137 1.00 23.33 N ATOM 581 CA ILE A 35 5.972 -8.235 4.698 1.00 24.32 C ATOM 582 C ILE A 35 6.949 -8.399 5.874 1.00 3.20 C ATOM 583 O ILE A 35 7.488 -9.485 6.096 1.00 51.01 O ATOM 584 CB ILE A 35 6.620 -7.319 3.627 1.00 24.03 C ATOM 585 CG1 ILE A 35 5.672 -7.133 2.433 1.00 4.20 C ATOM 586 CG2 ILE A 35 7.965 -7.883 3.165 1.00 45.23 C ATOM 587 CD1 ILE A 35 5.277 -8.430 1.754 1.00 55.32 C ATOM 0 H ILE A 35 4.621 -6.683 5.110 1.00 23.33 H new ATOM 0 HA ILE A 35 5.774 -9.216 4.266 1.00 24.32 H new ATOM 0 HB ILE A 35 6.801 -6.344 4.079 1.00 24.03 H new ATOM 0 HG12 ILE A 35 4.771 -6.623 2.773 1.00 4.20 H new ATOM 0 HG13 ILE A 35 6.149 -6.482 1.701 1.00 4.20 H new ATOM 0 HG21 ILE A 35 8.398 -7.222 2.414 1.00 45.23 H new ATOM 0 HG22 ILE A 35 8.641 -7.956 4.017 1.00 45.23 H new ATOM 0 HG23 ILE A 35 7.816 -8.873 2.734 1.00 45.23 H new ATOM 0 HD11 ILE A 35 4.607 -8.215 0.921 1.00 55.32 H new ATOM 0 HD12 ILE A 35 6.170 -8.932 1.381 1.00 55.32 H new ATOM 0 HD13 ILE A 35 4.770 -9.076 2.471 1.00 55.32 H new ATOM 599 N SER A 36 7.170 -7.322 6.629 1.00 30.21 N ATOM 600 CA SER A 36 8.136 -7.342 7.742 1.00 33.45 C ATOM 601 C SER A 36 7.589 -6.640 8.990 1.00 1.45 C ATOM 602 O SER A 36 6.711 -5.781 8.903 1.00 13.03 O ATOM 603 CB SER A 36 9.457 -6.684 7.320 1.00 11.50 C ATOM 604 OG SER A 36 10.394 -6.660 8.388 1.00 11.41 O ATOM 0 H SER A 36 6.699 -6.427 6.496 1.00 30.21 H new ATOM 0 HA SER A 36 8.312 -8.388 7.993 1.00 33.45 H new ATOM 0 HB2 SER A 36 9.881 -7.227 6.475 1.00 11.50 H new ATOM 0 HB3 SER A 36 9.265 -5.666 6.981 1.00 11.50 H new ATOM 0 HG SER A 36 11.224 -6.236 8.085 1.00 11.41 H new ATOM 740 N PHE A 46 6.759 -1.443 10.725 1.00 35.21 N ATOM 741 CA PHE A 46 5.956 -2.426 9.992 1.00 40.10 C ATOM 742 C PHE A 46 6.021 -2.160 8.485 1.00 10.31 C ATOM 743 O PHE A 46 5.812 -1.031 8.038 1.00 14.04 O ATOM 744 CB PHE A 46 4.496 -2.385 10.470 1.00 4.00 C ATOM 745 CG PHE A 46 4.319 -2.773 11.918 1.00 12.44 C ATOM 746 CD1 PHE A 46 4.665 -1.894 12.936 1.00 75.12 C ATOM 747 CD2 PHE A 46 3.815 -4.020 12.262 1.00 14.40 C ATOM 748 CE1 PHE A 46 4.511 -2.249 14.261 1.00 71.44 C ATOM 749 CE2 PHE A 46 3.659 -4.378 13.588 1.00 14.35 C ATOM 750 CZ PHE A 46 4.008 -3.492 14.588 1.00 13.41 C ATOM 0 HA PHE A 46 6.365 -3.417 10.189 1.00 40.10 H new ATOM 0 HB2 PHE A 46 4.103 -1.379 10.322 1.00 4.00 H new ATOM 0 HB3 PHE A 46 3.901 -3.054 9.849 1.00 4.00 H new ATOM 0 HD1 PHE A 46 5.060 -0.920 12.688 1.00 75.12 H new ATOM 0 HD2 PHE A 46 3.542 -4.718 11.485 1.00 14.40 H new ATOM 0 HE1 PHE A 46 4.784 -1.554 15.042 1.00 71.44 H new ATOM 0 HE2 PHE A 46 3.264 -5.351 13.842 1.00 14.35 H new ATOM 0 HZ PHE A 46 3.888 -3.771 15.624 1.00 13.41 H new ATOM 760 N VAL A 47 6.331 -3.195 7.708 1.00 60.24 N ATOM 761 CA VAL A 47 6.414 -3.076 6.247 1.00 4.05 C ATOM 762 C VAL A 47 5.265 -3.837 5.570 1.00 72.33 C ATOM 763 O VAL A 47 5.199 -5.066 5.638 1.00 45.12 O ATOM 764 CB VAL A 47 7.765 -3.618 5.708 1.00 74.23 C ATOM 765 CG1 VAL A 47 7.867 -3.426 4.194 1.00 50.04 C ATOM 766 CG2 VAL A 47 8.943 -2.954 6.422 1.00 55.21 C ATOM 0 H VAL A 47 6.530 -4.130 8.063 1.00 60.24 H new ATOM 0 HA VAL A 47 6.339 -2.015 6.010 1.00 4.05 H new ATOM 0 HB VAL A 47 7.804 -4.687 5.915 1.00 74.23 H new ATOM 0 HG11 VAL A 47 8.823 -3.814 3.842 1.00 50.04 H new ATOM 0 HG12 VAL A 47 7.055 -3.962 3.704 1.00 50.04 H new ATOM 0 HG13 VAL A 47 7.796 -2.365 3.956 1.00 50.04 H new ATOM 0 HG21 VAL A 47 9.878 -3.350 6.027 1.00 55.21 H new ATOM 0 HG22 VAL A 47 8.907 -1.877 6.258 1.00 55.21 H new ATOM 0 HG23 VAL A 47 8.884 -3.161 7.491 1.00 55.21 H new ATOM 776 N MET A 48 4.374 -3.101 4.913 1.00 62.55 N ATOM 777 CA MET A 48 3.208 -3.690 4.240 1.00 75.10 C ATOM 778 C MET A 48 3.368 -3.640 2.712 1.00 71.43 C ATOM 779 O MET A 48 4.095 -2.799 2.185 1.00 32.43 O ATOM 780 CB MET A 48 1.936 -2.932 4.651 1.00 70.05 C ATOM 781 CG MET A 48 1.672 -2.937 6.153 1.00 2.41 C ATOM 782 SD MET A 48 1.206 -4.563 6.783 1.00 72.23 S ATOM 783 CE MET A 48 -0.398 -4.782 6.018 1.00 52.31 C ATOM 0 H MET A 48 4.433 -2.086 4.829 1.00 62.55 H new ATOM 0 HA MET A 48 3.129 -4.734 4.543 1.00 75.10 H new ATOM 0 HB2 MET A 48 2.013 -1.900 4.309 1.00 70.05 H new ATOM 0 HB3 MET A 48 1.080 -3.374 4.140 1.00 70.05 H new ATOM 0 HG2 MET A 48 2.566 -2.594 6.674 1.00 2.41 H new ATOM 0 HG3 MET A 48 0.878 -2.225 6.379 1.00 2.41 H new ATOM 0 HE1 MET A 48 -0.905 -5.633 6.473 1.00 52.31 H new ATOM 0 HE2 MET A 48 -0.996 -3.883 6.164 1.00 52.31 H new ATOM 0 HE3 MET A 48 -0.270 -4.964 4.951 1.00 52.31 H new ATOM 793 N GLU A 49 2.691 -4.542 2.007 1.00 63.44 N ATOM 794 CA GLU A 49 2.721 -4.562 0.537 1.00 51.31 C ATOM 795 C GLU A 49 1.305 -4.629 -0.044 1.00 21.12 C ATOM 796 O GLU A 49 0.471 -5.410 0.416 1.00 32.22 O ATOM 797 CB GLU A 49 3.553 -5.750 0.028 1.00 31.20 C ATOM 798 CG GLU A 49 3.616 -5.857 -1.495 1.00 21.05 C ATOM 799 CD GLU A 49 4.565 -6.948 -1.977 1.00 71.54 C ATOM 800 OE1 GLU A 49 4.222 -8.140 -1.854 1.00 55.52 O ATOM 801 OE2 GLU A 49 5.663 -6.613 -2.481 1.00 52.23 O ATOM 0 H GLU A 49 2.113 -5.271 2.425 1.00 63.44 H new ATOM 0 HA GLU A 49 3.187 -3.635 0.203 1.00 51.31 H new ATOM 0 HB2 GLU A 49 4.567 -5.664 0.418 1.00 31.20 H new ATOM 0 HB3 GLU A 49 3.134 -6.673 0.430 1.00 31.20 H new ATOM 0 HG2 GLU A 49 2.616 -6.056 -1.881 1.00 21.05 H new ATOM 0 HG3 GLU A 49 3.933 -4.899 -1.908 1.00 21.05 H new ATOM 808 N VAL A 50 1.040 -3.800 -1.053 1.00 20.13 N ATOM 809 CA VAL A 50 -0.260 -3.789 -1.724 1.00 54.31 C ATOM 810 C VAL A 50 -0.144 -4.238 -3.190 1.00 21.33 C ATOM 811 O VAL A 50 0.654 -3.703 -3.962 1.00 52.01 O ATOM 812 CB VAL A 50 -0.924 -2.387 -1.667 1.00 53.02 C ATOM 813 CG1 VAL A 50 -0.022 -1.317 -2.281 1.00 15.44 C ATOM 814 CG2 VAL A 50 -2.291 -2.409 -2.354 1.00 2.41 C ATOM 0 H VAL A 50 1.709 -3.126 -1.425 1.00 20.13 H new ATOM 0 HA VAL A 50 -0.890 -4.498 -1.186 1.00 54.31 H new ATOM 0 HB VAL A 50 -1.071 -2.130 -0.618 1.00 53.02 H new ATOM 0 HG11 VAL A 50 -0.517 -0.348 -2.225 1.00 15.44 H new ATOM 0 HG12 VAL A 50 0.919 -1.276 -1.733 1.00 15.44 H new ATOM 0 HG13 VAL A 50 0.176 -1.563 -3.324 1.00 15.44 H new ATOM 0 HG21 VAL A 50 -2.740 -1.417 -2.303 1.00 2.41 H new ATOM 0 HG22 VAL A 50 -2.169 -2.699 -3.398 1.00 2.41 H new ATOM 0 HG23 VAL A 50 -2.939 -3.127 -1.851 1.00 2.41 H new ATOM 824 N GLU A 51 -0.934 -5.241 -3.559 1.00 60.03 N ATOM 825 CA GLU A 51 -1.025 -5.682 -4.950 1.00 24.10 C ATOM 826 C GLU A 51 -2.049 -4.825 -5.714 1.00 73.30 C ATOM 827 O GLU A 51 -3.237 -4.817 -5.384 1.00 73.32 O ATOM 828 CB GLU A 51 -1.387 -7.177 -5.000 1.00 63.24 C ATOM 829 CG GLU A 51 -1.433 -7.780 -6.406 1.00 15.01 C ATOM 830 CD GLU A 51 -2.779 -7.618 -7.097 1.00 34.43 C ATOM 831 OE1 GLU A 51 -3.723 -8.359 -6.754 1.00 20.21 O ATOM 832 OE2 GLU A 51 -2.896 -6.763 -7.995 1.00 22.44 O ATOM 0 H GLU A 51 -1.523 -5.767 -2.913 1.00 60.03 H new ATOM 0 HA GLU A 51 -0.058 -5.552 -5.437 1.00 24.10 H new ATOM 0 HB2 GLU A 51 -0.661 -7.732 -4.406 1.00 63.24 H new ATOM 0 HB3 GLU A 51 -2.360 -7.317 -4.528 1.00 63.24 H new ATOM 0 HG2 GLU A 51 -0.662 -7.312 -7.018 1.00 15.01 H new ATOM 0 HG3 GLU A 51 -1.191 -8.841 -6.345 1.00 15.01 H new ATOM 839 N VAL A 52 -1.570 -4.100 -6.726 1.00 32.32 N ATOM 840 CA VAL A 52 -2.405 -3.169 -7.497 1.00 42.01 C ATOM 841 C VAL A 52 -2.330 -3.462 -9.006 1.00 21.21 C ATOM 842 O VAL A 52 -1.321 -3.170 -9.656 1.00 31.00 O ATOM 843 CB VAL A 52 -1.976 -1.699 -7.253 1.00 24.04 C ATOM 844 CG1 VAL A 52 -2.888 -0.730 -7.999 1.00 2.14 C ATOM 845 CG2 VAL A 52 -1.955 -1.379 -5.763 1.00 13.13 C ATOM 0 H VAL A 52 -0.599 -4.139 -7.035 1.00 32.32 H new ATOM 0 HA VAL A 52 -3.430 -3.311 -7.155 1.00 42.01 H new ATOM 0 HB VAL A 52 -0.965 -1.578 -7.642 1.00 24.04 H new ATOM 0 HG11 VAL A 52 -2.564 0.293 -7.810 1.00 2.14 H new ATOM 0 HG12 VAL A 52 -2.839 -0.934 -9.069 1.00 2.14 H new ATOM 0 HG13 VAL A 52 -3.914 -0.856 -7.652 1.00 2.14 H new ATOM 0 HG21 VAL A 52 -1.651 -0.342 -5.618 1.00 13.13 H new ATOM 0 HG22 VAL A 52 -2.951 -1.527 -5.345 1.00 13.13 H new ATOM 0 HG23 VAL A 52 -1.248 -2.038 -5.259 1.00 13.13 H new ATOM 855 N ASP A 53 -3.396 -4.048 -9.548 1.00 55.01 N ATOM 856 CA ASP A 53 -3.483 -4.387 -10.976 1.00 2.32 C ATOM 857 C ASP A 53 -2.325 -5.322 -11.407 1.00 31.34 C ATOM 858 O ASP A 53 -2.004 -5.446 -12.592 1.00 74.02 O ATOM 859 CB ASP A 53 -3.498 -3.099 -11.815 1.00 13.12 C ATOM 860 CG ASP A 53 -4.093 -3.307 -13.197 1.00 74.04 C ATOM 861 OD1 ASP A 53 -5.336 -3.365 -13.308 1.00 4.01 O ATOM 862 OD2 ASP A 53 -3.331 -3.410 -14.180 1.00 45.13 O ATOM 0 H ASP A 53 -4.226 -4.303 -9.013 1.00 55.01 H new ATOM 0 HA ASP A 53 -4.413 -4.930 -11.148 1.00 2.32 H new ATOM 0 HB2 ASP A 53 -4.070 -2.334 -11.289 1.00 13.12 H new ATOM 0 HB3 ASP A 53 -2.480 -2.723 -11.915 1.00 13.12 H new ATOM 867 N GLY A 54 -1.720 -6.001 -10.434 1.00 33.01 N ATOM 868 CA GLY A 54 -0.598 -6.893 -10.710 1.00 53.34 C ATOM 869 C GLY A 54 0.733 -6.360 -10.187 1.00 62.11 C ATOM 870 O GLY A 54 1.685 -7.120 -10.001 1.00 31.20 O ATOM 0 H GLY A 54 -1.988 -5.950 -9.451 1.00 33.01 H new ATOM 0 HA2 GLY A 54 -0.795 -7.866 -10.259 1.00 53.34 H new ATOM 0 HA3 GLY A 54 -0.522 -7.050 -11.786 1.00 53.34 H new ATOM 874 N GLN A 55 0.799 -5.056 -9.947 1.00 54.35 N ATOM 875 CA GLN A 55 2.024 -4.402 -9.467 1.00 13.45 C ATOM 876 C GLN A 55 2.040 -4.319 -7.929 1.00 25.11 C ATOM 877 O GLN A 55 1.124 -3.765 -7.326 1.00 2.42 O ATOM 878 CB GLN A 55 2.124 -2.996 -10.074 1.00 45.43 C ATOM 879 CG GLN A 55 2.132 -2.986 -11.603 1.00 74.42 C ATOM 880 CD GLN A 55 1.947 -1.594 -12.190 1.00 23.34 C ATOM 881 OE1 GLN A 55 0.708 -1.217 -12.435 1.00 25.25 O flip ATOM 882 NE2 GLN A 55 2.907 -0.868 -12.430 1.00 43.10 N flip ATOM 0 H GLN A 55 0.013 -4.419 -10.077 1.00 54.35 H new ATOM 0 HA GLN A 55 2.882 -4.996 -9.780 1.00 13.45 H new ATOM 0 HB2 GLN A 55 1.285 -2.396 -9.720 1.00 45.43 H new ATOM 0 HB3 GLN A 55 3.034 -2.517 -9.712 1.00 45.43 H new ATOM 0 HG2 GLN A 55 3.075 -3.402 -11.959 1.00 74.42 H new ATOM 0 HG3 GLN A 55 1.338 -3.637 -11.969 1.00 74.42 H new ATOM 0 HE21 GLN A 55 3.853 -1.191 -12.228 1.00 43.10 H new ATOM 0 HE22 GLN A 55 2.758 0.058 -12.831 1.00 43.10 H new ATOM 891 N LYS A 56 3.077 -4.869 -7.299 1.00 14.31 N ATOM 892 CA LYS A 56 3.170 -4.896 -5.828 1.00 32.54 C ATOM 893 C LYS A 56 4.017 -3.732 -5.286 1.00 21.53 C ATOM 894 O LYS A 56 5.191 -3.585 -5.640 1.00 71.32 O ATOM 895 CB LYS A 56 3.763 -6.230 -5.344 1.00 5.14 C ATOM 896 CG LYS A 56 2.863 -7.450 -5.563 1.00 14.44 C ATOM 897 CD LYS A 56 2.792 -7.871 -7.029 1.00 13.41 C ATOM 898 CE LYS A 56 1.945 -9.126 -7.216 1.00 52.24 C ATOM 899 NZ LYS A 56 1.901 -9.562 -8.635 1.00 0.53 N ATOM 0 H LYS A 56 3.867 -5.303 -7.777 1.00 14.31 H new ATOM 0 HA LYS A 56 2.156 -4.789 -5.444 1.00 32.54 H new ATOM 0 HB2 LYS A 56 4.710 -6.398 -5.857 1.00 5.14 H new ATOM 0 HB3 LYS A 56 3.987 -6.147 -4.280 1.00 5.14 H new ATOM 0 HG2 LYS A 56 3.235 -8.283 -4.967 1.00 14.44 H new ATOM 0 HG3 LYS A 56 1.859 -7.225 -5.204 1.00 14.44 H new ATOM 0 HD2 LYS A 56 2.373 -7.058 -7.621 1.00 13.41 H new ATOM 0 HD3 LYS A 56 3.799 -8.052 -7.405 1.00 13.41 H new ATOM 0 HE2 LYS A 56 2.349 -9.931 -6.602 1.00 52.24 H new ATOM 0 HE3 LYS A 56 0.931 -8.935 -6.864 1.00 52.24 H new ATOM 0 HZ1 LYS A 56 1.079 -10.181 -8.783 1.00 0.53 H new ATOM 0 HZ2 LYS A 56 1.822 -8.729 -9.252 1.00 0.53 H new ATOM 0 HZ3 LYS A 56 2.772 -10.082 -8.866 1.00 0.53 H new ATOM 913 N PHE A 57 3.420 -2.914 -4.416 1.00 1.01 N ATOM 914 CA PHE A 57 4.107 -1.753 -3.829 1.00 51.35 C ATOM 915 C PHE A 57 4.238 -1.886 -2.301 1.00 35.34 C ATOM 916 O PHE A 57 3.257 -2.151 -1.607 1.00 54.24 O ATOM 917 CB PHE A 57 3.349 -0.465 -4.175 1.00 63.24 C ATOM 918 CG PHE A 57 3.180 -0.243 -5.658 1.00 32.52 C ATOM 919 CD1 PHE A 57 4.191 0.348 -6.404 1.00 41.34 C ATOM 920 CD2 PHE A 57 2.014 -0.627 -6.305 1.00 61.14 C ATOM 921 CE1 PHE A 57 4.041 0.552 -7.761 1.00 4.31 C ATOM 922 CE2 PHE A 57 1.859 -0.423 -7.663 1.00 43.41 C ATOM 923 CZ PHE A 57 2.874 0.166 -8.391 1.00 24.32 C ATOM 0 H PHE A 57 2.458 -3.032 -4.099 1.00 1.01 H new ATOM 0 HA PHE A 57 5.111 -1.712 -4.251 1.00 51.35 H new ATOM 0 HB2 PHE A 57 2.365 -0.495 -3.706 1.00 63.24 H new ATOM 0 HB3 PHE A 57 3.880 0.385 -3.747 1.00 63.24 H new ATOM 0 HD1 PHE A 57 5.106 0.652 -5.917 1.00 41.34 H new ATOM 0 HD2 PHE A 57 1.218 -1.091 -5.741 1.00 61.14 H new ATOM 0 HE1 PHE A 57 4.835 1.013 -8.329 1.00 4.31 H new ATOM 0 HE2 PHE A 57 0.945 -0.724 -8.154 1.00 43.41 H new ATOM 0 HZ PHE A 57 2.755 0.325 -9.453 1.00 24.32 H new ATOM 933 N GLN A 58 5.451 -1.691 -1.783 1.00 53.25 N ATOM 934 CA GLN A 58 5.713 -1.821 -0.339 1.00 32.44 C ATOM 935 C GLN A 58 5.906 -0.458 0.346 1.00 23.01 C ATOM 936 O GLN A 58 6.405 0.496 -0.253 1.00 54.51 O ATOM 937 CB GLN A 58 6.948 -2.702 -0.090 1.00 22.44 C ATOM 938 CG GLN A 58 6.705 -4.185 -0.341 1.00 42.15 C ATOM 939 CD GLN A 58 7.940 -5.043 -0.117 1.00 32.10 C ATOM 940 OE1 GLN A 58 8.815 -4.708 0.675 1.00 52.33 O ATOM 941 NE2 GLN A 58 8.017 -6.162 -0.801 1.00 42.21 N ATOM 0 H GLN A 58 6.271 -1.442 -2.337 1.00 53.25 H new ATOM 0 HA GLN A 58 4.832 -2.292 0.098 1.00 32.44 H new ATOM 0 HB2 GLN A 58 7.761 -2.363 -0.732 1.00 22.44 H new ATOM 0 HB3 GLN A 58 7.278 -2.566 0.940 1.00 22.44 H new ATOM 0 HG2 GLN A 58 5.907 -4.531 0.315 1.00 42.15 H new ATOM 0 HG3 GLN A 58 6.357 -4.321 -1.365 1.00 42.15 H new ATOM 0 HE21 GLN A 58 7.274 -6.414 -1.452 1.00 42.21 H new ATOM 0 HE22 GLN A 58 8.820 -6.779 -0.681 1.00 42.21 H new ATOM 950 N GLY A 59 5.510 -0.392 1.618 1.00 70.31 N ATOM 951 CA GLY A 59 5.681 0.818 2.418 1.00 42.41 C ATOM 952 C GLY A 59 5.918 0.506 3.896 1.00 10.52 C ATOM 953 O GLY A 59 5.339 -0.438 4.437 1.00 73.32 O ATOM 0 H GLY A 59 5.068 -1.165 2.116 1.00 70.31 H new ATOM 0 HA2 GLY A 59 6.523 1.392 2.030 1.00 42.41 H new ATOM 0 HA3 GLY A 59 4.795 1.445 2.319 1.00 42.41 H new ATOM 957 N ALA A 60 6.765 1.298 4.555 1.00 41.23 N ATOM 958 CA ALA A 60 7.127 1.045 5.959 1.00 52.14 C ATOM 959 C ALA A 60 6.777 2.232 6.872 1.00 10.41 C ATOM 960 O ALA A 60 7.066 3.383 6.546 1.00 4.51 O ATOM 961 CB ALA A 60 8.614 0.721 6.065 1.00 10.14 C ATOM 0 H ALA A 60 7.214 2.117 4.146 1.00 41.23 H new ATOM 0 HA ALA A 60 6.542 0.191 6.299 1.00 52.14 H new ATOM 0 HB1 ALA A 60 8.873 0.535 7.107 1.00 10.14 H new ATOM 0 HB2 ALA A 60 8.836 -0.166 5.472 1.00 10.14 H new ATOM 0 HB3 ALA A 60 9.197 1.562 5.691 1.00 10.14 H new ATOM 967 N GLY A 61 6.159 1.939 8.019 1.00 54.11 N ATOM 968 CA GLY A 61 5.814 2.982 8.991 1.00 73.25 C ATOM 969 C GLY A 61 5.872 2.485 10.436 1.00 61.34 C ATOM 970 O GLY A 61 6.107 1.304 10.680 1.00 24.30 O ATOM 0 H GLY A 61 5.888 0.996 8.297 1.00 54.11 H new ATOM 0 HA2 GLY A 61 6.497 3.823 8.873 1.00 73.25 H new ATOM 0 HA3 GLY A 61 4.811 3.353 8.779 1.00 73.25 H new ATOM 974 N SER A 62 5.643 3.382 11.399 1.00 53.45 N ATOM 975 CA SER A 62 5.700 3.027 12.833 1.00 2.41 C ATOM 976 C SER A 62 4.573 2.065 13.255 1.00 63.23 C ATOM 977 O SER A 62 4.551 1.583 14.388 1.00 13.43 O ATOM 978 CB SER A 62 5.647 4.292 13.703 1.00 74.14 C ATOM 979 OG SER A 62 6.771 5.135 13.476 1.00 63.25 O ATOM 0 H SER A 62 5.416 4.360 11.219 1.00 53.45 H new ATOM 0 HA SER A 62 6.647 2.510 12.986 1.00 2.41 H new ATOM 0 HB2 SER A 62 4.731 4.842 13.490 1.00 74.14 H new ATOM 0 HB3 SER A 62 5.611 4.009 14.755 1.00 74.14 H new ATOM 0 HG SER A 62 6.703 5.930 14.044 1.00 63.25 H new ATOM 985 N ASN A 63 3.634 1.804 12.351 1.00 14.50 N ATOM 986 CA ASN A 63 2.548 0.846 12.600 1.00 34.43 C ATOM 987 C ASN A 63 1.915 0.387 11.280 1.00 31.21 C ATOM 988 O ASN A 63 2.127 1.008 10.237 1.00 0.03 O ATOM 989 CB ASN A 63 1.477 1.454 13.512 1.00 2.25 C ATOM 990 CG ASN A 63 0.906 2.742 12.958 1.00 1.34 C ATOM 991 OD1 ASN A 63 -0.031 2.733 12.167 1.00 62.41 O ATOM 992 ND2 ASN A 63 1.460 3.860 13.373 1.00 24.13 N ATOM 0 H ASN A 63 3.599 2.243 11.431 1.00 14.50 H new ATOM 0 HA ASN A 63 2.978 -0.020 13.102 1.00 34.43 H new ATOM 0 HB2 ASN A 63 0.671 0.733 13.651 1.00 2.25 H new ATOM 0 HB3 ASN A 63 1.907 1.644 14.495 1.00 2.25 H new ATOM 0 HD21 ASN A 63 1.112 4.758 13.036 1.00 24.13 H new ATOM 0 HD22 ASN A 63 2.238 3.830 14.032 1.00 24.13 H new ATOM 999 N LYS A 64 1.125 -0.690 11.332 1.00 13.15 N ATOM 1000 CA LYS A 64 0.496 -1.251 10.125 1.00 11.41 C ATOM 1001 C LYS A 64 -0.400 -0.232 9.406 1.00 30.13 C ATOM 1002 O LYS A 64 -0.465 -0.217 8.180 1.00 52.15 O ATOM 1003 CB LYS A 64 -0.326 -2.501 10.466 1.00 55.34 C ATOM 1004 CG LYS A 64 0.514 -3.677 10.951 1.00 54.42 C ATOM 1005 CD LYS A 64 -0.347 -4.907 11.216 1.00 71.13 C ATOM 1006 CE LYS A 64 0.485 -6.088 11.699 1.00 54.23 C ATOM 1007 NZ LYS A 64 -0.351 -7.289 11.961 1.00 14.04 N ATOM 0 H LYS A 64 0.904 -1.192 12.192 1.00 13.15 H new ATOM 0 HA LYS A 64 1.309 -1.521 9.451 1.00 11.41 H new ATOM 0 HB2 LYS A 64 -1.055 -2.246 11.235 1.00 55.34 H new ATOM 0 HB3 LYS A 64 -0.887 -2.807 9.583 1.00 55.34 H new ATOM 0 HG2 LYS A 64 1.272 -3.916 10.205 1.00 54.42 H new ATOM 0 HG3 LYS A 64 1.041 -3.397 11.863 1.00 54.42 H new ATOM 0 HD2 LYS A 64 -1.104 -4.667 11.962 1.00 71.13 H new ATOM 0 HD3 LYS A 64 -0.875 -5.184 10.304 1.00 71.13 H new ATOM 0 HE2 LYS A 64 1.241 -6.329 10.951 1.00 54.23 H new ATOM 0 HE3 LYS A 64 1.015 -5.810 12.610 1.00 54.23 H new ATOM 0 HZ1 LYS A 64 0.254 -8.069 12.288 1.00 14.04 H new ATOM 0 HZ2 LYS A 64 -1.056 -7.068 12.693 1.00 14.04 H new ATOM 0 HZ3 LYS A 64 -0.837 -7.571 11.086 1.00 14.04 H new ATOM 1021 N LYS A 65 -1.088 0.615 10.169 1.00 13.44 N ATOM 1022 CA LYS A 65 -1.999 1.606 9.584 1.00 31.55 C ATOM 1023 C LYS A 65 -1.229 2.619 8.716 1.00 71.41 C ATOM 1024 O LYS A 65 -1.549 2.829 7.543 1.00 51.33 O ATOM 1025 CB LYS A 65 -2.775 2.336 10.692 1.00 71.50 C ATOM 1026 CG LYS A 65 -3.475 1.425 11.711 1.00 63.12 C ATOM 1027 CD LYS A 65 -4.568 0.539 11.091 1.00 62.50 C ATOM 1028 CE LYS A 65 -4.024 -0.787 10.562 1.00 34.33 C ATOM 1029 NZ LYS A 65 -5.103 -1.660 10.029 1.00 63.04 N ATOM 0 H LYS A 65 -1.035 0.638 11.187 1.00 13.44 H new ATOM 0 HA LYS A 65 -2.708 1.080 8.944 1.00 31.55 H new ATOM 0 HB2 LYS A 65 -2.085 2.989 11.227 1.00 71.50 H new ATOM 0 HB3 LYS A 65 -3.524 2.977 10.227 1.00 71.50 H new ATOM 0 HG2 LYS A 65 -2.730 0.789 12.190 1.00 63.12 H new ATOM 0 HG3 LYS A 65 -3.918 2.041 12.493 1.00 63.12 H new ATOM 0 HD2 LYS A 65 -5.335 0.339 11.839 1.00 62.50 H new ATOM 0 HD3 LYS A 65 -5.050 1.080 10.276 1.00 62.50 H new ATOM 0 HE2 LYS A 65 -3.295 -0.592 9.776 1.00 34.33 H new ATOM 0 HE3 LYS A 65 -3.498 -1.308 11.362 1.00 34.33 H new ATOM 0 HZ1 LYS A 65 -4.690 -2.549 9.681 1.00 63.04 H new ATOM 0 HZ2 LYS A 65 -5.786 -1.868 10.785 1.00 63.04 H new ATOM 0 HZ3 LYS A 65 -5.589 -1.174 9.248 1.00 63.04 H new ATOM 1043 N VAL A 66 -0.207 3.236 9.302 1.00 53.15 N ATOM 1044 CA VAL A 66 0.646 4.188 8.579 1.00 40.41 C ATOM 1045 C VAL A 66 1.450 3.490 7.464 1.00 53.42 C ATOM 1046 O VAL A 66 1.689 4.069 6.402 1.00 4.22 O ATOM 1047 CB VAL A 66 1.614 4.913 9.548 1.00 14.41 C ATOM 1048 CG1 VAL A 66 2.521 5.889 8.799 1.00 23.52 C ATOM 1049 CG2 VAL A 66 0.828 5.642 10.641 1.00 22.42 C ATOM 0 H VAL A 66 0.055 3.097 10.278 1.00 53.15 H new ATOM 0 HA VAL A 66 -0.012 4.925 8.120 1.00 40.41 H new ATOM 0 HB VAL A 66 2.248 4.160 10.015 1.00 14.41 H new ATOM 0 HG11 VAL A 66 3.188 6.382 9.506 1.00 23.52 H new ATOM 0 HG12 VAL A 66 3.111 5.345 8.062 1.00 23.52 H new ATOM 0 HG13 VAL A 66 1.911 6.638 8.294 1.00 23.52 H new ATOM 0 HG21 VAL A 66 1.522 6.146 11.313 1.00 22.42 H new ATOM 0 HG22 VAL A 66 0.166 6.378 10.184 1.00 22.42 H new ATOM 0 HG23 VAL A 66 0.235 4.922 11.205 1.00 22.42 H new ATOM 1059 N ALA A 67 1.848 2.241 7.710 1.00 44.04 N ATOM 1060 CA ALA A 67 2.579 1.448 6.714 1.00 53.40 C ATOM 1061 C ALA A 67 1.718 1.193 5.469 1.00 74.14 C ATOM 1062 O ALA A 67 2.180 1.354 4.338 1.00 44.14 O ATOM 1063 CB ALA A 67 3.038 0.131 7.326 1.00 1.30 C ATOM 0 H ALA A 67 1.678 1.754 8.590 1.00 44.04 H new ATOM 0 HA ALA A 67 3.456 2.016 6.402 1.00 53.40 H new ATOM 0 HB1 ALA A 67 3.579 -0.449 6.578 1.00 1.30 H new ATOM 0 HB2 ALA A 67 3.694 0.332 8.173 1.00 1.30 H new ATOM 0 HB3 ALA A 67 2.170 -0.435 7.665 1.00 1.30 H new ATOM 1069 N LYS A 68 0.462 0.794 5.687 1.00 44.22 N ATOM 1070 CA LYS A 68 -0.499 0.626 4.590 1.00 2.55 C ATOM 1071 C LYS A 68 -0.702 1.945 3.833 1.00 3.30 C ATOM 1072 O LYS A 68 -0.893 1.947 2.617 1.00 64.31 O ATOM 1073 CB LYS A 68 -1.849 0.110 5.115 1.00 34.41 C ATOM 1074 CG LYS A 68 -1.797 -1.314 5.660 1.00 54.03 C ATOM 1075 CD LYS A 68 -3.158 -1.782 6.183 1.00 74.42 C ATOM 1076 CE LYS A 68 -4.203 -1.854 5.073 1.00 22.31 C ATOM 1077 NZ LYS A 68 -5.492 -2.418 5.554 1.00 43.34 N ATOM 0 H LYS A 68 0.086 0.581 6.611 1.00 44.22 H new ATOM 0 HA LYS A 68 -0.088 -0.112 3.902 1.00 2.55 H new ATOM 0 HB2 LYS A 68 -2.201 0.777 5.902 1.00 34.41 H new ATOM 0 HB3 LYS A 68 -2.582 0.154 4.309 1.00 34.41 H new ATOM 0 HG2 LYS A 68 -1.459 -1.990 4.874 1.00 54.03 H new ATOM 0 HG3 LYS A 68 -1.063 -1.367 6.464 1.00 54.03 H new ATOM 0 HD2 LYS A 68 -3.051 -2.764 6.644 1.00 74.42 H new ATOM 0 HD3 LYS A 68 -3.502 -1.100 6.961 1.00 74.42 H new ATOM 0 HE2 LYS A 68 -4.373 -0.856 4.670 1.00 22.31 H new ATOM 0 HE3 LYS A 68 -3.822 -2.467 4.256 1.00 22.31 H new ATOM 0 HZ1 LYS A 68 -6.172 -2.449 4.768 1.00 43.34 H new ATOM 0 HZ2 LYS A 68 -5.336 -3.381 5.915 1.00 43.34 H new ATOM 0 HZ3 LYS A 68 -5.870 -1.820 6.316 1.00 43.34 H new ATOM 1091 N ALA A 69 -0.663 3.064 4.560 1.00 30.41 N ATOM 1092 CA ALA A 69 -0.739 4.388 3.940 1.00 43.22 C ATOM 1093 C ALA A 69 0.445 4.628 2.985 1.00 2.12 C ATOM 1094 O ALA A 69 0.262 5.117 1.869 1.00 71.45 O ATOM 1095 CB ALA A 69 -0.797 5.473 5.012 1.00 64.44 C ATOM 0 H ALA A 69 -0.579 3.079 5.576 1.00 30.41 H new ATOM 0 HA ALA A 69 -1.654 4.432 3.349 1.00 43.22 H new ATOM 0 HB1 ALA A 69 -0.853 6.452 4.536 1.00 64.44 H new ATOM 0 HB2 ALA A 69 -1.678 5.322 5.636 1.00 64.44 H new ATOM 0 HB3 ALA A 69 0.099 5.421 5.631 1.00 64.44 H new ATOM 1101 N TYR A 70 1.659 4.282 3.426 1.00 25.53 N ATOM 1102 CA TYR A 70 2.852 4.380 2.569 1.00 5.04 C ATOM 1103 C TYR A 70 2.747 3.453 1.346 1.00 72.04 C ATOM 1104 O TYR A 70 3.044 3.859 0.225 1.00 12.44 O ATOM 1105 CB TYR A 70 4.135 4.056 3.356 1.00 72.13 C ATOM 1106 CG TYR A 70 4.633 5.190 4.238 1.00 15.44 C ATOM 1107 CD1 TYR A 70 5.186 6.336 3.672 1.00 42.31 C ATOM 1108 CD2 TYR A 70 4.562 5.117 5.625 1.00 21.34 C ATOM 1109 CE1 TYR A 70 5.650 7.372 4.462 1.00 63.53 C ATOM 1110 CE2 TYR A 70 5.026 6.150 6.420 1.00 13.24 C ATOM 1111 CZ TYR A 70 5.570 7.273 5.834 1.00 42.31 C ATOM 1112 OH TYR A 70 6.033 8.302 6.624 1.00 1.11 O ATOM 0 H TYR A 70 1.844 3.933 4.366 1.00 25.53 H new ATOM 0 HA TYR A 70 2.905 5.411 2.219 1.00 5.04 H new ATOM 0 HB2 TYR A 70 3.953 3.180 3.979 1.00 72.13 H new ATOM 0 HB3 TYR A 70 4.922 3.788 2.651 1.00 72.13 H new ATOM 0 HD1 TYR A 70 5.254 6.417 2.597 1.00 42.31 H new ATOM 0 HD2 TYR A 70 4.138 4.239 6.089 1.00 21.34 H new ATOM 0 HE1 TYR A 70 6.073 8.255 4.006 1.00 63.53 H new ATOM 0 HE2 TYR A 70 4.962 6.077 7.496 1.00 13.24 H new ATOM 0 HH TYR A 70 5.902 8.074 7.568 1.00 1.11 H new ATOM 1122 N ALA A 71 2.324 2.210 1.570 1.00 73.03 N ATOM 1123 CA ALA A 71 2.161 1.237 0.481 1.00 73.33 C ATOM 1124 C ALA A 71 1.142 1.727 -0.560 1.00 12.11 C ATOM 1125 O ALA A 71 1.395 1.679 -1.766 1.00 23.41 O ATOM 1126 CB ALA A 71 1.746 -0.120 1.045 1.00 13.21 C ATOM 0 H ALA A 71 2.087 1.849 2.494 1.00 73.03 H new ATOM 0 HA ALA A 71 3.121 1.129 -0.024 1.00 73.33 H new ATOM 0 HB1 ALA A 71 1.628 -0.833 0.229 1.00 13.21 H new ATOM 0 HB2 ALA A 71 2.513 -0.478 1.732 1.00 13.21 H new ATOM 0 HB3 ALA A 71 0.800 -0.019 1.578 1.00 13.21 H new ATOM 1132 N ALA A 72 -0.004 2.212 -0.084 1.00 34.11 N ATOM 1133 CA ALA A 72 -1.038 2.766 -0.963 1.00 51.04 C ATOM 1134 C ALA A 72 -0.526 4.006 -1.713 1.00 72.14 C ATOM 1135 O ALA A 72 -0.761 4.161 -2.913 1.00 60.34 O ATOM 1136 CB ALA A 72 -2.288 3.100 -0.156 1.00 11.31 C ATOM 0 H ALA A 72 -0.242 2.233 0.908 1.00 34.11 H new ATOM 0 HA ALA A 72 -1.292 2.012 -1.708 1.00 51.04 H new ATOM 0 HB1 ALA A 72 -3.050 3.511 -0.819 1.00 11.31 H new ATOM 0 HB2 ALA A 72 -2.668 2.195 0.317 1.00 11.31 H new ATOM 0 HB3 ALA A 72 -2.041 3.834 0.611 1.00 11.31 H new ATOM 1142 N LEU A 73 0.184 4.883 -1.000 1.00 51.24 N ATOM 1143 CA LEU A 73 0.819 6.053 -1.616 1.00 35.35 C ATOM 1144 C LEU A 73 1.826 5.638 -2.697 1.00 42.53 C ATOM 1145 O LEU A 73 1.892 6.252 -3.761 1.00 61.13 O ATOM 1146 CB LEU A 73 1.514 6.918 -0.551 1.00 63.54 C ATOM 1147 CG LEU A 73 0.590 7.863 0.232 1.00 21.03 C ATOM 1148 CD1 LEU A 73 1.360 8.596 1.327 1.00 41.11 C ATOM 1149 CD2 LEU A 73 -0.071 8.859 -0.715 1.00 24.01 C ATOM 0 H LEU A 73 0.335 4.806 0.006 1.00 51.24 H new ATOM 0 HA LEU A 73 0.034 6.641 -2.091 1.00 35.35 H new ATOM 0 HB2 LEU A 73 2.017 6.259 0.157 1.00 63.54 H new ATOM 0 HB3 LEU A 73 2.287 7.513 -1.037 1.00 63.54 H new ATOM 0 HG LEU A 73 -0.186 7.265 0.709 1.00 21.03 H new ATOM 0 HD11 LEU A 73 0.683 9.259 1.866 1.00 41.11 H new ATOM 0 HD12 LEU A 73 1.786 7.871 2.020 1.00 41.11 H new ATOM 0 HD13 LEU A 73 2.161 9.183 0.878 1.00 41.11 H new ATOM 0 HD21 LEU A 73 -0.723 9.523 -0.148 1.00 24.01 H new ATOM 0 HD22 LEU A 73 0.697 9.447 -1.218 1.00 24.01 H new ATOM 0 HD23 LEU A 73 -0.659 8.320 -1.457 1.00 24.01 H new ATOM 1161 N ALA A 74 2.601 4.589 -2.422 1.00 72.23 N ATOM 1162 CA ALA A 74 3.570 4.069 -3.392 1.00 60.14 C ATOM 1163 C ALA A 74 2.885 3.706 -4.720 1.00 12.24 C ATOM 1164 O ALA A 74 3.447 3.906 -5.796 1.00 53.11 O ATOM 1165 CB ALA A 74 4.298 2.860 -2.817 1.00 65.14 C ATOM 0 H ALA A 74 2.578 4.082 -1.537 1.00 72.23 H new ATOM 0 HA ALA A 74 4.300 4.853 -3.595 1.00 60.14 H new ATOM 0 HB1 ALA A 74 5.014 2.485 -3.548 1.00 65.14 H new ATOM 0 HB2 ALA A 74 4.826 3.151 -1.909 1.00 65.14 H new ATOM 0 HB3 ALA A 74 3.576 2.078 -2.582 1.00 65.14 H new ATOM 1171 N ALA A 75 1.664 3.177 -4.625 1.00 4.25 N ATOM 1172 CA ALA A 75 0.857 2.848 -5.805 1.00 30.02 C ATOM 1173 C ALA A 75 0.279 4.107 -6.470 1.00 41.11 C ATOM 1174 O ALA A 75 0.424 4.308 -7.675 1.00 2.35 O ATOM 1175 CB ALA A 75 -0.268 1.895 -5.420 1.00 2.14 C ATOM 0 H ALA A 75 1.208 2.965 -3.737 1.00 4.25 H new ATOM 0 HA ALA A 75 1.512 2.363 -6.529 1.00 30.02 H new ATOM 0 HB1 ALA A 75 -0.861 1.657 -6.303 1.00 2.14 H new ATOM 0 HB2 ALA A 75 0.156 0.978 -5.010 1.00 2.14 H new ATOM 0 HB3 ALA A 75 -0.905 2.367 -4.672 1.00 2.14 H new ATOM 1181 N LEU A 76 -0.376 4.952 -5.673 1.00 10.00 N ATOM 1182 CA LEU A 76 -0.995 6.186 -6.176 1.00 21.21 C ATOM 1183 C LEU A 76 0.014 7.093 -6.899 1.00 2.01 C ATOM 1184 O LEU A 76 -0.206 7.491 -8.036 1.00 31.41 O ATOM 1185 CB LEU A 76 -1.655 6.962 -5.029 1.00 51.55 C ATOM 1186 CG LEU A 76 -2.932 6.328 -4.452 1.00 35.23 C ATOM 1187 CD1 LEU A 76 -3.434 7.120 -3.248 1.00 10.42 C ATOM 1188 CD2 LEU A 76 -4.019 6.237 -5.524 1.00 41.33 C ATOM 0 H LEU A 76 -0.494 4.806 -4.670 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.752 5.887 -6.901 1.00 21.21 H new ATOM 0 HB2 LEU A 76 -0.929 7.073 -4.223 1.00 51.55 H new ATOM 0 HB3 LEU A 76 -1.895 7.965 -5.382 1.00 51.55 H new ATOM 0 HG LEU A 76 -2.690 5.319 -4.120 1.00 35.23 H new ATOM 0 HD11 LEU A 76 -4.338 6.653 -2.857 1.00 10.42 H new ATOM 0 HD12 LEU A 76 -2.667 7.131 -2.474 1.00 10.42 H new ATOM 0 HD13 LEU A 76 -3.657 8.143 -3.552 1.00 10.42 H new ATOM 0 HD21 LEU A 76 -4.915 5.786 -5.097 1.00 41.33 H new ATOM 0 HD22 LEU A 76 -4.255 7.237 -5.889 1.00 41.33 H new ATOM 0 HD23 LEU A 76 -3.663 5.623 -6.352 1.00 41.33 H new ATOM 1200 N GLU A 77 1.127 7.400 -6.244 1.00 25.32 N ATOM 1201 CA GLU A 77 2.142 8.300 -6.814 1.00 33.13 C ATOM 1202 C GLU A 77 2.851 7.673 -8.029 1.00 41.13 C ATOM 1203 O GLU A 77 3.540 8.357 -8.786 1.00 4.25 O ATOM 1204 CB GLU A 77 3.163 8.676 -5.731 1.00 43.33 C ATOM 1205 CG GLU A 77 2.527 9.279 -4.478 1.00 4.42 C ATOM 1206 CD GLU A 77 1.844 10.615 -4.732 1.00 72.32 C ATOM 1207 OE1 GLU A 77 0.670 10.631 -5.166 1.00 41.43 O ATOM 1208 OE2 GLU A 77 2.476 11.662 -4.479 1.00 70.52 O ATOM 0 H GLU A 77 1.357 7.043 -5.317 1.00 25.32 H new ATOM 0 HA GLU A 77 1.636 9.199 -7.167 1.00 33.13 H new ATOM 0 HB2 GLU A 77 3.728 7.787 -5.451 1.00 43.33 H new ATOM 0 HB3 GLU A 77 3.876 9.389 -6.146 1.00 43.33 H new ATOM 0 HG2 GLU A 77 1.797 8.577 -4.076 1.00 4.42 H new ATOM 0 HG3 GLU A 77 3.296 9.411 -3.717 1.00 4.42 H new ATOM 1215 N LYS A 78 2.677 6.365 -8.206 1.00 61.33 N ATOM 1216 CA LYS A 78 3.291 5.641 -9.325 1.00 31.52 C ATOM 1217 C LYS A 78 2.310 5.509 -10.507 1.00 71.25 C ATOM 1218 O LYS A 78 2.706 5.580 -11.672 1.00 62.54 O ATOM 1219 CB LYS A 78 3.752 4.257 -8.830 1.00 64.35 C ATOM 1220 CG LYS A 78 4.692 3.496 -9.771 1.00 32.43 C ATOM 1221 CD LYS A 78 3.948 2.735 -10.868 1.00 32.33 C ATOM 1222 CE LYS A 78 4.900 1.897 -11.716 1.00 15.33 C ATOM 1223 NZ LYS A 78 5.895 2.740 -12.431 1.00 44.22 N ATOM 0 H LYS A 78 2.114 5.780 -7.588 1.00 61.33 H new ATOM 0 HA LYS A 78 4.153 6.201 -9.687 1.00 31.52 H new ATOM 0 HB2 LYS A 78 4.252 4.383 -7.870 1.00 64.35 H new ATOM 0 HB3 LYS A 78 2.870 3.642 -8.652 1.00 64.35 H new ATOM 0 HG2 LYS A 78 5.386 4.200 -10.231 1.00 32.43 H new ATOM 0 HG3 LYS A 78 5.289 2.794 -9.190 1.00 32.43 H new ATOM 0 HD2 LYS A 78 3.196 2.087 -10.417 1.00 32.33 H new ATOM 0 HD3 LYS A 78 3.418 3.442 -11.506 1.00 32.33 H new ATOM 0 HE2 LYS A 78 5.421 1.183 -11.078 1.00 15.33 H new ATOM 0 HE3 LYS A 78 4.327 1.319 -12.441 1.00 15.33 H new ATOM 0 HZ1 LYS A 78 6.434 2.151 -13.098 1.00 44.22 H new ATOM 0 HZ2 LYS A 78 5.402 3.492 -12.953 1.00 44.22 H new ATOM 0 HZ3 LYS A 78 6.547 3.167 -11.742 1.00 44.22 H new ATOM 1237 N LEU A 79 1.027 5.325 -10.195 1.00 0.25 N ATOM 1238 CA LEU A 79 -0.004 5.117 -11.223 1.00 14.32 C ATOM 1239 C LEU A 79 -0.898 6.354 -11.425 1.00 14.41 C ATOM 1240 O LEU A 79 -1.180 6.744 -12.560 1.00 30.23 O ATOM 1241 CB LEU A 79 -0.870 3.902 -10.855 1.00 74.42 C ATOM 1242 CG LEU A 79 -0.123 2.559 -10.770 1.00 35.35 C ATOM 1243 CD1 LEU A 79 -1.070 1.437 -10.346 1.00 21.40 C ATOM 1244 CD2 LEU A 79 0.547 2.227 -12.103 1.00 30.54 C ATOM 0 H LEU A 79 0.672 5.315 -9.239 1.00 0.25 H new ATOM 0 HA LEU A 79 0.513 4.937 -12.165 1.00 14.32 H new ATOM 0 HB2 LEU A 79 -1.346 4.095 -9.894 1.00 74.42 H new ATOM 0 HB3 LEU A 79 -1.667 3.809 -11.593 1.00 74.42 H new ATOM 0 HG LEU A 79 0.655 2.651 -10.012 1.00 35.35 H new ATOM 0 HD11 LEU A 79 -0.520 0.497 -10.293 1.00 21.40 H new ATOM 0 HD12 LEU A 79 -1.491 1.667 -9.367 1.00 21.40 H new ATOM 0 HD13 LEU A 79 -1.875 1.345 -11.075 1.00 21.40 H new ATOM 0 HD21 LEU A 79 1.069 1.274 -12.020 1.00 30.54 H new ATOM 0 HD22 LEU A 79 -0.210 2.159 -12.884 1.00 30.54 H new ATOM 0 HD23 LEU A 79 1.261 3.011 -12.357 1.00 30.54 H new ATOM 1256 N PHE A 80 -1.338 6.974 -10.330 1.00 23.40 N ATOM 1257 CA PHE A 80 -2.284 8.104 -10.401 1.00 0.13 C ATOM 1258 C PHE A 80 -1.730 9.387 -9.737 1.00 54.32 C ATOM 1259 O PHE A 80 -2.250 9.827 -8.705 1.00 42.41 O ATOM 1260 CB PHE A 80 -3.607 7.722 -9.716 1.00 25.03 C ATOM 1261 CG PHE A 80 -4.168 6.390 -10.145 1.00 71.45 C ATOM 1262 CD1 PHE A 80 -4.935 6.282 -11.295 1.00 53.34 C ATOM 1263 CD2 PHE A 80 -3.932 5.245 -9.391 1.00 71.13 C ATOM 1264 CE1 PHE A 80 -5.457 5.064 -11.687 1.00 40.52 C ATOM 1265 CE2 PHE A 80 -4.451 4.025 -9.782 1.00 42.44 C ATOM 1266 CZ PHE A 80 -5.214 3.936 -10.931 1.00 2.41 C ATOM 0 H PHE A 80 -1.059 6.719 -9.383 1.00 23.40 H new ATOM 0 HA PHE A 80 -2.443 8.316 -11.458 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -3.452 7.707 -8.637 1.00 25.03 H new ATOM 0 HB3 PHE A 80 -4.346 8.497 -9.922 1.00 25.03 H new ATOM 0 HD1 PHE A 80 -5.127 7.161 -11.892 1.00 53.34 H new ATOM 0 HD2 PHE A 80 -3.338 5.310 -8.492 1.00 71.13 H new ATOM 0 HE1 PHE A 80 -6.054 4.995 -12.584 1.00 40.52 H new ATOM 0 HE2 PHE A 80 -4.260 3.142 -9.190 1.00 42.44 H new ATOM 0 HZ PHE A 80 -5.620 2.983 -11.237 1.00 2.41 H new