USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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 Set 1.1: A 24 ASN : amide:sc= 1.24 K(o=0.54,f=-0.51) USER MOD Set 1.2: A 32 TYR OH : rot 150:sc= -0.701 USER MOD Single : A 18 ASN : amide:sc= -0.348 K(o=-0.35,f=-7.4!) USER MOD Single : A 21 MET CE :methyl 157:sc= -1.97 (180deg=-2.62!) USER MOD Single : A 26 LYS NZ :NH3+ 142:sc= 0.712 (180deg=-0.0237) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= 0.904 (180deg=-0.00465) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.477 (180deg=-0.738) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.036 (180deg=-0.231) USER MOD Single : A 58 GLN : amide:sc= 0.298 K(o=0.3,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.965 K(o=-0.96,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc=-0.00346 (180deg=-0.103) 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+ -167:sc= -0.03 (180deg=-0.262) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.378 9.749 2.891 1.00 42.12 N ATOM 284 CA ASN A 18 -6.486 8.611 3.164 1.00 52.22 C ATOM 285 C ASN A 18 -6.119 7.821 1.889 1.00 33.10 C ATOM 286 O ASN A 18 -6.999 7.401 1.131 1.00 51.01 O ATOM 287 CB ASN A 18 -7.154 7.675 4.178 1.00 41.03 C ATOM 288 CG ASN A 18 -6.298 6.471 4.530 1.00 74.42 C ATOM 289 OD1 ASN A 18 -6.342 5.446 3.861 1.00 35.33 O ATOM 290 ND2 ASN A 18 -5.522 6.581 5.589 1.00 12.21 N ATOM 0 HA ASN A 18 -5.557 9.014 3.568 1.00 52.22 H new ATOM 0 HB2 ASN A 18 -7.377 8.233 5.087 1.00 41.03 H new ATOM 0 HB3 ASN A 18 -8.106 7.331 3.774 1.00 41.03 H new ATOM 0 HD21 ASN A 18 -4.934 5.798 5.874 1.00 12.21 H new ATOM 0 HD22 ASN A 18 -5.509 7.449 6.124 1.00 12.21 H new ATOM 297 N PRO A 19 -4.806 7.579 1.666 1.00 54.42 N ATOM 298 CA PRO A 19 -4.312 6.875 0.469 1.00 13.04 C ATOM 299 C PRO A 19 -4.881 5.457 0.314 1.00 11.14 C ATOM 300 O PRO A 19 -5.286 5.059 -0.778 1.00 35.41 O ATOM 301 CB PRO A 19 -2.787 6.827 0.677 1.00 44.11 C ATOM 302 CG PRO A 19 -2.587 7.058 2.138 1.00 51.11 C ATOM 303 CD PRO A 19 -3.699 7.974 2.559 1.00 62.53 C ATOM 0 HA PRO A 19 -4.619 7.389 -0.442 1.00 13.04 H new ATOM 0 HB2 PRO A 19 -2.377 5.865 0.370 1.00 44.11 H new ATOM 0 HB3 PRO A 19 -2.284 7.591 0.084 1.00 44.11 H new ATOM 0 HG2 PRO A 19 -2.622 6.120 2.691 1.00 51.11 H new ATOM 0 HG3 PRO A 19 -1.614 7.508 2.334 1.00 51.11 H new ATOM 0 HD2 PRO A 19 -3.959 7.839 3.609 1.00 62.53 H new ATOM 0 HD3 PRO A 19 -3.430 9.022 2.430 1.00 62.53 H new ATOM 311 N VAL A 20 -4.912 4.702 1.410 1.00 43.32 N ATOM 312 CA VAL A 20 -5.404 3.320 1.385 1.00 10.04 C ATOM 313 C VAL A 20 -6.856 3.255 0.891 1.00 13.44 C ATOM 314 O VAL A 20 -7.171 2.547 -0.069 1.00 74.30 O ATOM 315 CB VAL A 20 -5.312 2.665 2.787 1.00 11.43 C ATOM 316 CG1 VAL A 20 -5.781 1.210 2.749 1.00 43.32 C ATOM 317 CG2 VAL A 20 -3.890 2.765 3.337 1.00 23.44 C ATOM 0 H VAL A 20 -4.603 5.021 2.328 1.00 43.32 H new ATOM 0 HA VAL A 20 -4.768 2.769 0.693 1.00 10.04 H new ATOM 0 HB VAL A 20 -5.977 3.211 3.457 1.00 11.43 H new ATOM 0 HG11 VAL A 20 -5.705 0.777 3.746 1.00 43.32 H new ATOM 0 HG12 VAL A 20 -6.818 1.170 2.414 1.00 43.32 H new ATOM 0 HG13 VAL A 20 -5.155 0.644 2.059 1.00 43.32 H new ATOM 0 HG21 VAL A 20 -3.847 2.299 4.322 1.00 23.44 H new ATOM 0 HG22 VAL A 20 -3.203 2.253 2.663 1.00 23.44 H new ATOM 0 HG23 VAL A 20 -3.604 3.814 3.419 1.00 23.44 H new ATOM 327 N MET A 21 -7.733 4.013 1.542 1.00 62.24 N ATOM 328 CA MET A 21 -9.159 4.005 1.207 1.00 42.41 C ATOM 329 C MET A 21 -9.420 4.531 -0.215 1.00 72.33 C ATOM 330 O MET A 21 -10.297 4.015 -0.907 1.00 74.41 O ATOM 331 CB MET A 21 -9.957 4.813 2.241 1.00 70.13 C ATOM 332 CG MET A 21 -9.765 4.324 3.674 1.00 23.52 C ATOM 333 SD MET A 21 -10.921 5.072 4.846 1.00 52.23 S ATOM 334 CE MET A 21 -10.601 6.820 4.602 1.00 72.32 C ATOM 0 H MET A 21 -7.484 4.642 2.305 1.00 62.24 H new ATOM 0 HA MET A 21 -9.496 2.969 1.234 1.00 42.41 H new ATOM 0 HB2 MET A 21 -9.660 5.860 2.180 1.00 70.13 H new ATOM 0 HB3 MET A 21 -11.016 4.766 1.988 1.00 70.13 H new ATOM 0 HG2 MET A 21 -9.883 3.241 3.700 1.00 23.52 H new ATOM 0 HG3 MET A 21 -8.745 4.542 3.991 1.00 23.52 H new ATOM 0 HE1 MET A 21 -11.470 7.397 4.919 1.00 72.32 H new ATOM 0 HE2 MET A 21 -9.734 7.117 5.192 1.00 72.32 H new ATOM 0 HE3 MET A 21 -10.405 7.010 3.547 1.00 72.32 H new ATOM 344 N GLU A 22 -8.659 5.536 -0.664 1.00 34.43 N ATOM 345 CA GLU A 22 -8.819 6.032 -2.038 1.00 10.44 C ATOM 346 C GLU A 22 -8.347 4.993 -3.064 1.00 54.33 C ATOM 347 O GLU A 22 -9.028 4.740 -4.052 1.00 2.53 O ATOM 348 CB GLU A 22 -8.078 7.355 -2.287 1.00 5.33 C ATOM 349 CG GLU A 22 -8.237 7.827 -3.734 1.00 32.22 C ATOM 350 CD GLU A 22 -7.667 9.206 -4.018 1.00 72.13 C ATOM 351 OE1 GLU A 22 -8.058 10.170 -3.327 1.00 61.35 O ATOM 352 OE2 GLU A 22 -6.857 9.337 -4.967 1.00 61.01 O ATOM 0 H GLU A 22 -7.944 6.012 -0.114 1.00 34.43 H new ATOM 0 HA GLU A 22 -9.886 6.214 -2.162 1.00 10.44 H new ATOM 0 HB2 GLU A 22 -8.460 8.119 -1.610 1.00 5.33 H new ATOM 0 HB3 GLU A 22 -7.020 7.228 -2.059 1.00 5.33 H new ATOM 0 HG2 GLU A 22 -7.753 7.106 -4.392 1.00 32.22 H new ATOM 0 HG3 GLU A 22 -9.297 7.828 -3.987 1.00 32.22 H new ATOM 359 N LEU A 23 -7.179 4.401 -2.831 1.00 13.23 N ATOM 360 CA LEU A 23 -6.659 3.342 -3.711 1.00 3.22 C ATOM 361 C LEU A 23 -7.701 2.226 -3.898 1.00 31.22 C ATOM 362 O LEU A 23 -7.884 1.706 -5.000 1.00 24.13 O ATOM 363 CB LEU A 23 -5.351 2.771 -3.140 1.00 11.53 C ATOM 364 CG LEU A 23 -4.641 1.721 -4.016 1.00 72.31 C ATOM 365 CD1 LEU A 23 -4.284 2.298 -5.383 1.00 73.53 C ATOM 366 CD2 LEU A 23 -3.393 1.194 -3.313 1.00 25.11 C ATOM 0 H LEU A 23 -6.571 4.631 -2.045 1.00 13.23 H new ATOM 0 HA LEU A 23 -6.452 3.777 -4.689 1.00 3.22 H new ATOM 0 HB2 LEU A 23 -4.662 3.597 -2.965 1.00 11.53 H new ATOM 0 HB3 LEU A 23 -5.565 2.323 -2.170 1.00 11.53 H new ATOM 0 HG LEU A 23 -5.329 0.890 -4.171 1.00 72.31 H new ATOM 0 HD11 LEU A 23 -3.784 1.536 -5.980 1.00 73.53 H new ATOM 0 HD12 LEU A 23 -5.193 2.619 -5.891 1.00 73.53 H new ATOM 0 HD13 LEU A 23 -3.619 3.152 -5.255 1.00 73.53 H new ATOM 0 HD21 LEU A 23 -2.904 0.453 -3.946 1.00 25.11 H new ATOM 0 HD22 LEU A 23 -2.706 2.019 -3.123 1.00 25.11 H new ATOM 0 HD23 LEU A 23 -3.676 0.733 -2.367 1.00 25.11 H new ATOM 378 N ASN A 24 -8.402 1.895 -2.814 1.00 74.10 N ATOM 379 CA ASN A 24 -9.508 0.925 -2.861 1.00 1.11 C ATOM 380 C ASN A 24 -10.658 1.400 -3.779 1.00 54.35 C ATOM 381 O ASN A 24 -11.402 0.584 -4.325 1.00 24.30 O ATOM 382 CB ASN A 24 -10.038 0.658 -1.443 1.00 33.11 C ATOM 383 CG ASN A 24 -9.207 -0.372 -0.694 1.00 23.44 C ATOM 384 OD1 ASN A 24 -9.417 -1.572 -0.825 1.00 20.21 O ATOM 385 ND2 ASN A 24 -8.274 0.083 0.112 1.00 73.33 N ATOM 0 H ASN A 24 -8.227 2.283 -1.887 1.00 74.10 H new ATOM 0 HA ASN A 24 -9.114 -0.000 -3.282 1.00 1.11 H new ATOM 0 HB2 ASN A 24 -10.047 1.592 -0.880 1.00 33.11 H new ATOM 0 HB3 ASN A 24 -11.070 0.313 -1.504 1.00 33.11 H new ATOM 0 HD21 ASN A 24 -7.702 -0.569 0.649 1.00 73.33 H new ATOM 0 HD22 ASN A 24 -8.122 1.088 0.200 1.00 73.33 H new ATOM 392 N GLU A 25 -10.798 2.716 -3.935 1.00 71.30 N ATOM 393 CA GLU A 25 -11.811 3.303 -4.830 1.00 73.23 C ATOM 394 C GLU A 25 -11.268 3.445 -6.266 1.00 20.42 C ATOM 395 O GLU A 25 -12.011 3.335 -7.244 1.00 33.15 O ATOM 396 CB GLU A 25 -12.233 4.693 -4.313 1.00 64.41 C ATOM 397 CG GLU A 25 -12.702 4.703 -2.860 1.00 41.50 C ATOM 398 CD GLU A 25 -13.034 6.101 -2.350 1.00 0.11 C ATOM 399 OE1 GLU A 25 -12.138 6.975 -2.349 1.00 72.55 O ATOM 400 OE2 GLU A 25 -14.192 6.333 -1.937 1.00 12.30 O ATOM 0 H GLU A 25 -10.221 3.405 -3.452 1.00 71.30 H new ATOM 0 HA GLU A 25 -12.672 2.634 -4.843 1.00 73.23 H new ATOM 0 HB2 GLU A 25 -11.391 5.378 -4.416 1.00 64.41 H new ATOM 0 HB3 GLU A 25 -13.035 5.076 -4.945 1.00 64.41 H new ATOM 0 HG2 GLU A 25 -13.583 4.069 -2.764 1.00 41.50 H new ATOM 0 HG3 GLU A 25 -11.926 4.268 -2.231 1.00 41.50 H new ATOM 407 N LYS A 26 -9.964 3.693 -6.377 1.00 5.24 N ATOM 408 CA LYS A 26 -9.312 3.941 -7.670 1.00 24.03 C ATOM 409 C LYS A 26 -8.990 2.634 -8.409 1.00 50.11 C ATOM 410 O LYS A 26 -8.878 2.615 -9.638 1.00 12.05 O ATOM 411 CB LYS A 26 -8.027 4.755 -7.454 1.00 33.22 C ATOM 412 CG LYS A 26 -8.277 6.104 -6.786 1.00 72.43 C ATOM 413 CD LYS A 26 -8.994 7.084 -7.715 1.00 61.43 C ATOM 414 CE LYS A 26 -8.010 7.914 -8.533 1.00 4.01 C ATOM 415 NZ LYS A 26 -7.337 8.947 -7.697 1.00 50.33 N ATOM 0 H LYS A 26 -9.329 3.728 -5.580 1.00 5.24 H new ATOM 0 HA LYS A 26 -10.006 4.506 -8.292 1.00 24.03 H new ATOM 0 HB2 LYS A 26 -7.336 4.176 -6.842 1.00 33.22 H new ATOM 0 HB3 LYS A 26 -7.541 4.917 -8.416 1.00 33.22 H new ATOM 0 HG2 LYS A 26 -8.874 5.957 -5.886 1.00 72.43 H new ATOM 0 HG3 LYS A 26 -7.326 6.534 -6.471 1.00 72.43 H new ATOM 0 HD2 LYS A 26 -9.651 6.532 -8.388 1.00 61.43 H new ATOM 0 HD3 LYS A 26 -9.626 7.748 -7.125 1.00 61.43 H new ATOM 0 HE2 LYS A 26 -7.260 7.258 -8.976 1.00 4.01 H new ATOM 0 HE3 LYS A 26 -8.537 8.397 -9.356 1.00 4.01 H new ATOM 0 HZ1 LYS A 26 -6.343 9.036 -7.988 1.00 50.33 H new ATOM 0 HZ2 LYS A 26 -7.817 9.861 -7.821 1.00 50.33 H new ATOM 0 HZ3 LYS A 26 -7.381 8.666 -6.697 1.00 50.33 H new ATOM 429 N ARG A 27 -8.829 1.547 -7.656 1.00 21.33 N ATOM 430 CA ARG A 27 -8.546 0.227 -8.238 1.00 42.15 C ATOM 431 C ARG A 27 -9.372 -0.877 -7.562 1.00 60.01 C ATOM 432 O ARG A 27 -9.420 -0.976 -6.336 1.00 32.34 O ATOM 433 CB ARG A 27 -7.052 -0.112 -8.119 1.00 3.31 C ATOM 434 CG ARG A 27 -6.137 0.688 -9.044 1.00 60.20 C ATOM 435 CD ARG A 27 -6.506 0.506 -10.517 1.00 40.02 C ATOM 436 NE ARG A 27 -5.348 0.677 -11.386 1.00 11.14 N ATOM 437 CZ ARG A 27 -5.292 1.461 -12.426 1.00 0.45 C ATOM 438 NH1 ARG A 27 -6.286 2.225 -12.746 1.00 23.31 N ATOM 439 NH2 ARG A 27 -4.219 1.472 -13.144 1.00 32.12 N ATOM 0 H ARG A 27 -8.889 1.550 -6.638 1.00 21.33 H new ATOM 0 HA ARG A 27 -8.825 0.275 -9.291 1.00 42.15 H new ATOM 0 HB2 ARG A 27 -6.738 0.053 -7.089 1.00 3.31 H new ATOM 0 HB3 ARG A 27 -6.917 -1.173 -8.327 1.00 3.31 H new ATOM 0 HG2 ARG A 27 -6.194 1.745 -8.784 1.00 60.20 H new ATOM 0 HG3 ARG A 27 -5.104 0.377 -8.889 1.00 60.20 H new ATOM 0 HD2 ARG A 27 -6.930 -0.487 -10.666 1.00 40.02 H new ATOM 0 HD3 ARG A 27 -7.277 1.226 -10.791 1.00 40.02 H new ATOM 0 HE ARG A 27 -4.512 0.138 -11.161 1.00 11.14 H new ATOM 0 HH11 ARG A 27 -7.135 2.222 -12.180 1.00 23.31 H new ATOM 0 HH12 ARG A 27 -6.221 2.831 -13.564 1.00 23.31 H new ATOM 0 HH21 ARG A 27 -3.432 0.873 -12.894 1.00 32.12 H new ATOM 0 HH22 ARG A 27 -4.158 2.079 -13.961 1.00 32.12 H new ATOM 453 N ARG A 28 -10.021 -1.707 -8.374 1.00 23.32 N ATOM 454 CA ARG A 28 -10.759 -2.870 -7.873 1.00 5.31 C ATOM 455 C ARG A 28 -9.915 -4.148 -7.992 1.00 52.13 C ATOM 456 O ARG A 28 -9.261 -4.383 -9.012 1.00 34.33 O ATOM 457 CB ARG A 28 -12.082 -3.021 -8.639 1.00 21.01 C ATOM 458 CG ARG A 28 -13.018 -1.828 -8.457 1.00 33.21 C ATOM 459 CD ARG A 28 -13.396 -1.631 -6.991 1.00 4.50 C ATOM 460 NE ARG A 28 -14.078 -0.363 -6.751 1.00 45.42 N ATOM 461 CZ ARG A 28 -14.841 -0.131 -5.717 1.00 75.40 C ATOM 462 NH1 ARG A 28 -15.152 -1.088 -4.898 1.00 21.40 N ATOM 463 NH2 ARG A 28 -15.312 1.055 -5.517 1.00 71.11 N ATOM 0 H ARG A 28 -10.053 -1.597 -9.388 1.00 23.32 H new ATOM 0 HA ARG A 28 -10.980 -2.713 -6.817 1.00 5.31 H new ATOM 0 HB2 ARG A 28 -11.868 -3.149 -9.700 1.00 21.01 H new ATOM 0 HB3 ARG A 28 -12.588 -3.927 -8.304 1.00 21.01 H new ATOM 0 HG2 ARG A 28 -12.536 -0.926 -8.834 1.00 33.21 H new ATOM 0 HG3 ARG A 28 -13.921 -1.979 -9.049 1.00 33.21 H new ATOM 0 HD2 ARG A 28 -14.040 -2.451 -6.673 1.00 4.50 H new ATOM 0 HD3 ARG A 28 -12.495 -1.676 -6.379 1.00 4.50 H new ATOM 0 HE ARG A 28 -13.951 0.386 -7.431 1.00 45.42 H new ATOM 0 HH11 ARG A 28 -14.800 -2.032 -5.059 1.00 21.40 H new ATOM 0 HH12 ARG A 28 -15.749 -0.897 -4.093 1.00 21.40 H new ATOM 0 HH21 ARG A 28 -15.088 1.809 -6.166 1.00 71.11 H new ATOM 0 HH22 ARG A 28 -15.908 1.238 -4.710 1.00 71.11 H new ATOM 477 N GLY A 29 -9.936 -4.972 -6.946 1.00 31.15 N ATOM 478 CA GLY A 29 -9.110 -6.176 -6.911 1.00 50.31 C ATOM 479 C GLY A 29 -7.733 -5.925 -6.299 1.00 51.21 C ATOM 480 O GLY A 29 -6.708 -6.059 -6.971 1.00 55.33 O ATOM 0 H GLY A 29 -10.512 -4.829 -6.117 1.00 31.15 H new ATOM 0 HA2 GLY A 29 -9.623 -6.948 -6.338 1.00 50.31 H new ATOM 0 HA3 GLY A 29 -8.989 -6.559 -7.924 1.00 50.31 H new ATOM 484 N LEU A 30 -7.710 -5.551 -5.021 1.00 73.44 N ATOM 485 CA LEU A 30 -6.455 -5.246 -4.318 1.00 45.00 C ATOM 486 C LEU A 30 -6.186 -6.235 -3.177 1.00 22.01 C ATOM 487 O LEU A 30 -7.081 -6.947 -2.722 1.00 62.15 O ATOM 488 CB LEU A 30 -6.499 -3.821 -3.748 1.00 44.55 C ATOM 489 CG LEU A 30 -6.771 -2.709 -4.773 1.00 14.04 C ATOM 490 CD1 LEU A 30 -6.774 -1.340 -4.099 1.00 24.34 C ATOM 491 CD2 LEU A 30 -5.748 -2.761 -5.906 1.00 1.44 C ATOM 0 H LEU A 30 -8.546 -5.450 -4.446 1.00 73.44 H new ATOM 0 HA LEU A 30 -5.648 -5.333 -5.046 1.00 45.00 H new ATOM 0 HB2 LEU A 30 -7.270 -3.779 -2.979 1.00 44.55 H new ATOM 0 HB3 LEU A 30 -5.548 -3.615 -3.257 1.00 44.55 H new ATOM 0 HG LEU A 30 -7.759 -2.872 -5.202 1.00 14.04 H new ATOM 0 HD11 LEU A 30 -6.968 -0.568 -4.844 1.00 24.34 H new ATOM 0 HD12 LEU A 30 -7.552 -1.312 -3.336 1.00 24.34 H new ATOM 0 HD13 LEU A 30 -5.804 -1.161 -3.635 1.00 24.34 H new ATOM 0 HD21 LEU A 30 -5.957 -1.966 -6.622 1.00 1.44 H new ATOM 0 HD22 LEU A 30 -4.746 -2.628 -5.498 1.00 1.44 H new ATOM 0 HD23 LEU A 30 -5.810 -3.727 -6.408 1.00 1.44 H new ATOM 503 N LYS A 31 -4.942 -6.257 -2.708 1.00 52.03 N ATOM 504 CA LYS A 31 -4.552 -7.095 -1.569 1.00 44.42 C ATOM 505 C LYS A 31 -3.503 -6.387 -0.702 1.00 3.21 C ATOM 506 O LYS A 31 -2.402 -6.098 -1.167 1.00 10.10 O ATOM 507 CB LYS A 31 -3.985 -8.438 -2.054 1.00 20.45 C ATOM 508 CG LYS A 31 -3.530 -9.352 -0.917 1.00 73.13 C ATOM 509 CD LYS A 31 -2.802 -10.589 -1.434 1.00 34.53 C ATOM 510 CE LYS A 31 -2.339 -11.487 -0.290 1.00 62.40 C ATOM 511 NZ LYS A 31 -1.431 -12.566 -0.756 1.00 61.40 N ATOM 0 H LYS A 31 -4.180 -5.703 -3.099 1.00 52.03 H new ATOM 0 HA LYS A 31 -5.445 -7.275 -0.971 1.00 44.42 H new ATOM 0 HB2 LYS A 31 -4.744 -8.953 -2.642 1.00 20.45 H new ATOM 0 HB3 LYS A 31 -3.141 -8.249 -2.718 1.00 20.45 H new ATOM 0 HG2 LYS A 31 -2.872 -8.798 -0.248 1.00 73.13 H new ATOM 0 HG3 LYS A 31 -4.396 -9.660 -0.331 1.00 73.13 H new ATOM 0 HD2 LYS A 31 -3.462 -11.151 -2.094 1.00 34.53 H new ATOM 0 HD3 LYS A 31 -1.941 -10.283 -2.029 1.00 34.53 H new ATOM 0 HE2 LYS A 31 -1.828 -10.883 0.460 1.00 62.40 H new ATOM 0 HE3 LYS A 31 -3.208 -11.930 0.196 1.00 62.40 H new ATOM 0 HZ1 LYS A 31 -1.645 -13.445 -0.244 1.00 61.40 H new ATOM 0 HZ2 LYS A 31 -1.567 -12.718 -1.776 1.00 61.40 H new ATOM 0 HZ3 LYS A 31 -0.444 -12.292 -0.575 1.00 61.40 H new ATOM 525 N TYR A 32 -3.852 -6.107 0.553 1.00 40.23 N ATOM 526 CA TYR A 32 -2.918 -5.491 1.506 1.00 73.32 C ATOM 527 C TYR A 32 -2.390 -6.527 2.515 1.00 44.45 C ATOM 528 O TYR A 32 -3.099 -6.908 3.453 1.00 53.02 O ATOM 529 CB TYR A 32 -3.610 -4.348 2.265 1.00 30.30 C ATOM 530 CG TYR A 32 -4.066 -3.189 1.392 1.00 1.43 C ATOM 531 CD1 TYR A 32 -5.239 -3.269 0.649 1.00 41.14 C ATOM 532 CD2 TYR A 32 -3.327 -2.011 1.323 1.00 4.20 C ATOM 533 CE1 TYR A 32 -5.660 -2.212 -0.136 1.00 53.24 C ATOM 534 CE2 TYR A 32 -3.745 -0.950 0.542 1.00 53.11 C ATOM 535 CZ TYR A 32 -4.911 -1.056 -0.186 1.00 14.54 C ATOM 536 OH TYR A 32 -5.328 0.000 -0.965 1.00 73.32 O ATOM 0 H TYR A 32 -4.777 -6.296 0.938 1.00 40.23 H new ATOM 0 HA TYR A 32 -2.076 -5.096 0.938 1.00 73.32 H new ATOM 0 HB2 TYR A 32 -4.475 -4.751 2.791 1.00 30.30 H new ATOM 0 HB3 TYR A 32 -2.926 -3.967 3.023 1.00 30.30 H new ATOM 0 HD1 TYR A 32 -5.831 -4.172 0.686 1.00 41.14 H new ATOM 0 HD2 TYR A 32 -2.411 -1.925 1.889 1.00 4.20 H new ATOM 0 HE1 TYR A 32 -6.573 -2.292 -0.708 1.00 53.24 H new ATOM 0 HE2 TYR A 32 -3.161 -0.042 0.502 1.00 53.11 H new ATOM 0 HH TYR A 32 -5.025 0.842 -0.565 1.00 73.32 H new ATOM 546 N GLU A 33 -1.152 -6.984 2.330 1.00 11.11 N ATOM 547 CA GLU A 33 -0.549 -7.969 3.245 1.00 13.10 C ATOM 548 C GLU A 33 0.680 -7.403 3.974 1.00 52.12 C ATOM 549 O GLU A 33 1.197 -6.340 3.628 1.00 61.44 O ATOM 550 CB GLU A 33 -0.162 -9.257 2.502 1.00 22.21 C ATOM 551 CG GLU A 33 0.956 -9.082 1.480 1.00 64.33 C ATOM 552 CD GLU A 33 1.465 -10.411 0.940 1.00 23.04 C ATOM 553 OE1 GLU A 33 0.770 -11.035 0.110 1.00 42.44 O ATOM 554 OE2 GLU A 33 2.552 -10.858 1.366 1.00 64.24 O ATOM 0 H GLU A 33 -0.546 -6.694 1.562 1.00 11.11 H new ATOM 0 HA GLU A 33 -1.309 -8.204 3.991 1.00 13.10 H new ATOM 0 HB2 GLU A 33 0.144 -10.006 3.233 1.00 22.21 H new ATOM 0 HB3 GLU A 33 -1.044 -9.648 1.995 1.00 22.21 H new ATOM 0 HG2 GLU A 33 0.595 -8.471 0.652 1.00 64.33 H new ATOM 0 HG3 GLU A 33 1.782 -8.540 1.939 1.00 64.33 H new ATOM 561 N LEU A 34 1.140 -8.136 4.985 1.00 53.42 N ATOM 562 CA LEU A 34 2.265 -7.710 5.827 1.00 72.12 C ATOM 563 C LEU A 34 3.587 -8.349 5.370 1.00 45.42 C ATOM 564 O LEU A 34 3.701 -9.572 5.280 1.00 44.50 O ATOM 565 CB LEU A 34 1.974 -8.084 7.289 1.00 42.41 C ATOM 566 CG LEU A 34 3.082 -7.762 8.307 1.00 53.34 C ATOM 567 CD1 LEU A 34 3.373 -6.265 8.349 1.00 1.01 C ATOM 568 CD2 LEU A 34 2.693 -8.278 9.690 1.00 23.01 C ATOM 0 H LEU A 34 0.748 -9.040 5.247 1.00 53.42 H new ATOM 0 HA LEU A 34 2.374 -6.629 5.735 1.00 72.12 H new ATOM 0 HB2 LEU A 34 1.064 -7.570 7.599 1.00 42.41 H new ATOM 0 HB3 LEU A 34 1.768 -9.153 7.334 1.00 42.41 H new ATOM 0 HG LEU A 34 3.995 -8.267 7.991 1.00 53.34 H new ATOM 0 HD11 LEU A 34 4.160 -6.068 9.077 1.00 1.01 H new ATOM 0 HD12 LEU A 34 3.698 -5.930 7.364 1.00 1.01 H new ATOM 0 HD13 LEU A 34 2.470 -5.727 8.636 1.00 1.01 H new ATOM 0 HD21 LEU A 34 3.485 -8.044 10.402 1.00 23.01 H new ATOM 0 HD22 LEU A 34 1.766 -7.801 10.009 1.00 23.01 H new ATOM 0 HD23 LEU A 34 2.550 -9.358 9.648 1.00 23.01 H new ATOM 580 N ILE A 35 4.583 -7.516 5.083 1.00 43.12 N ATOM 581 CA ILE A 35 5.901 -7.998 4.645 1.00 62.34 C ATOM 582 C ILE A 35 6.870 -8.152 5.828 1.00 42.32 C ATOM 583 O ILE A 35 7.533 -9.182 5.974 1.00 13.33 O ATOM 584 CB ILE A 35 6.525 -7.045 3.594 1.00 15.31 C ATOM 585 CG1 ILE A 35 5.585 -6.887 2.386 1.00 44.21 C ATOM 586 CG2 ILE A 35 7.900 -7.544 3.143 1.00 35.34 C ATOM 587 CD1 ILE A 35 5.255 -8.191 1.685 1.00 42.23 C ATOM 0 H ILE A 35 4.508 -6.501 5.144 1.00 43.12 H new ATOM 0 HA ILE A 35 5.742 -8.977 4.192 1.00 62.34 H new ATOM 0 HB ILE A 35 6.659 -6.069 4.061 1.00 15.31 H new ATOM 0 HG12 ILE A 35 4.658 -6.421 2.719 1.00 44.21 H new ATOM 0 HG13 ILE A 35 6.044 -6.207 1.668 1.00 44.21 H new ATOM 0 HG21 ILE A 35 8.313 -6.856 2.406 1.00 35.34 H new ATOM 0 HG22 ILE A 35 8.567 -7.598 4.003 1.00 35.34 H new ATOM 0 HG23 ILE A 35 7.800 -8.534 2.699 1.00 35.34 H new ATOM 0 HD11 ILE A 35 4.588 -7.994 0.845 1.00 42.23 H new ATOM 0 HD12 ILE A 35 6.173 -8.650 1.319 1.00 42.23 H new ATOM 0 HD13 ILE A 35 4.766 -8.867 2.386 1.00 42.23 H new ATOM 599 N SER A 36 6.951 -7.125 6.667 1.00 33.24 N ATOM 600 CA SER A 36 7.843 -7.142 7.840 1.00 24.24 C ATOM 601 C SER A 36 7.173 -6.502 9.058 1.00 21.42 C ATOM 602 O SER A 36 6.534 -5.455 8.949 1.00 63.43 O ATOM 603 CB SER A 36 9.157 -6.406 7.538 1.00 25.42 C ATOM 604 OG SER A 36 10.010 -6.374 8.676 1.00 54.24 O ATOM 0 H SER A 36 6.412 -6.265 6.564 1.00 33.24 H new ATOM 0 HA SER A 36 8.059 -8.186 8.066 1.00 24.24 H new ATOM 0 HB2 SER A 36 9.669 -6.898 6.712 1.00 25.42 H new ATOM 0 HB3 SER A 36 8.939 -5.388 7.216 1.00 25.42 H new ATOM 0 HG SER A 36 10.838 -5.901 8.451 1.00 54.24 H new ATOM 740 N PHE A 46 7.113 -1.185 10.676 1.00 2.23 N ATOM 741 CA PHE A 46 6.176 -2.035 9.927 1.00 3.43 C ATOM 742 C PHE A 46 6.323 -1.823 8.416 1.00 42.13 C ATOM 743 O PHE A 46 6.472 -0.696 7.955 1.00 13.01 O ATOM 744 CB PHE A 46 4.731 -1.730 10.346 1.00 70.34 C ATOM 745 CG PHE A 46 4.393 -2.138 11.760 1.00 51.15 C ATOM 746 CD1 PHE A 46 5.023 -1.546 12.846 1.00 34.21 C ATOM 747 CD2 PHE A 46 3.436 -3.113 12.002 1.00 42.31 C ATOM 748 CE1 PHE A 46 4.706 -1.921 14.140 1.00 62.40 C ATOM 749 CE2 PHE A 46 3.116 -3.487 13.291 1.00 45.22 C ATOM 750 CZ PHE A 46 3.752 -2.890 14.360 1.00 11.22 C ATOM 0 HA PHE A 46 6.412 -3.074 10.158 1.00 3.43 H new ATOM 0 HB2 PHE A 46 4.552 -0.660 10.237 1.00 70.34 H new ATOM 0 HB3 PHE A 46 4.052 -2.239 9.662 1.00 70.34 H new ATOM 0 HD1 PHE A 46 5.770 -0.784 12.679 1.00 34.21 H new ATOM 0 HD2 PHE A 46 2.935 -3.586 11.170 1.00 42.31 H new ATOM 0 HE1 PHE A 46 5.206 -1.455 14.976 1.00 62.40 H new ATOM 0 HE2 PHE A 46 2.368 -4.247 13.463 1.00 45.22 H new ATOM 0 HZ PHE A 46 3.502 -3.182 15.369 1.00 11.22 H new ATOM 760 N VAL A 47 6.277 -2.913 7.651 1.00 1.23 N ATOM 761 CA VAL A 47 6.341 -2.845 6.185 1.00 12.22 C ATOM 762 C VAL A 47 5.181 -3.630 5.552 1.00 23.55 C ATOM 763 O VAL A 47 5.113 -4.857 5.668 1.00 21.25 O ATOM 764 CB VAL A 47 7.689 -3.396 5.638 1.00 62.31 C ATOM 765 CG1 VAL A 47 7.746 -3.291 4.110 1.00 24.54 C ATOM 766 CG2 VAL A 47 8.877 -2.679 6.285 1.00 3.22 C ATOM 0 H VAL A 47 6.195 -3.860 8.021 1.00 1.23 H new ATOM 0 HA VAL A 47 6.262 -1.792 5.914 1.00 12.22 H new ATOM 0 HB VAL A 47 7.752 -4.452 5.902 1.00 62.31 H new ATOM 0 HG11 VAL A 47 8.699 -3.683 3.754 1.00 24.54 H new ATOM 0 HG12 VAL A 47 6.930 -3.869 3.675 1.00 24.54 H new ATOM 0 HG13 VAL A 47 7.650 -2.247 3.813 1.00 24.54 H new ATOM 0 HG21 VAL A 47 9.807 -3.083 5.885 1.00 3.22 H new ATOM 0 HG22 VAL A 47 8.821 -1.613 6.067 1.00 3.22 H new ATOM 0 HG23 VAL A 47 8.850 -2.830 7.364 1.00 3.22 H new ATOM 776 N MET A 48 4.270 -2.915 4.892 1.00 10.14 N ATOM 777 CA MET A 48 3.097 -3.534 4.253 1.00 44.10 C ATOM 778 C MET A 48 3.205 -3.481 2.720 1.00 12.12 C ATOM 779 O MET A 48 3.991 -2.708 2.170 1.00 1.43 O ATOM 780 CB MET A 48 1.815 -2.819 4.710 1.00 70.43 C ATOM 781 CG MET A 48 1.618 -2.809 6.224 1.00 71.53 C ATOM 782 SD MET A 48 1.253 -4.439 6.905 1.00 23.54 S ATOM 783 CE MET A 48 -0.377 -4.748 6.221 1.00 51.25 C ATOM 0 H MET A 48 4.318 -1.902 4.783 1.00 10.14 H new ATOM 0 HA MET A 48 3.059 -4.581 4.555 1.00 44.10 H new ATOM 0 HB2 MET A 48 1.836 -1.791 4.349 1.00 70.43 H new ATOM 0 HB3 MET A 48 0.956 -3.302 4.245 1.00 70.43 H new ATOM 0 HG2 MET A 48 2.518 -2.418 6.698 1.00 71.53 H new ATOM 0 HG3 MET A 48 0.804 -2.128 6.473 1.00 71.53 H new ATOM 0 HE1 MET A 48 -0.822 -5.611 6.717 1.00 51.25 H new ATOM 0 HE2 MET A 48 -1.009 -3.874 6.377 1.00 51.25 H new ATOM 0 HE3 MET A 48 -0.291 -4.948 5.153 1.00 51.25 H new ATOM 793 N GLU A 49 2.407 -4.296 2.034 1.00 32.01 N ATOM 794 CA GLU A 49 2.437 -4.361 0.565 1.00 11.12 C ATOM 795 C GLU A 49 1.021 -4.396 -0.030 1.00 14.10 C ATOM 796 O GLU A 49 0.099 -4.957 0.567 1.00 42.21 O ATOM 797 CB GLU A 49 3.216 -5.605 0.113 1.00 43.14 C ATOM 798 CG GLU A 49 3.302 -5.776 -1.402 1.00 55.34 C ATOM 799 CD GLU A 49 4.089 -7.011 -1.809 1.00 32.20 C ATOM 800 OE1 GLU A 49 3.503 -8.110 -1.843 1.00 24.12 O ATOM 801 OE2 GLU A 49 5.298 -6.885 -2.108 1.00 25.52 O ATOM 0 H GLU A 49 1.729 -4.923 2.467 1.00 32.01 H new ATOM 0 HA GLU A 49 2.933 -3.461 0.203 1.00 11.12 H new ATOM 0 HB2 GLU A 49 4.226 -5.554 0.519 1.00 43.14 H new ATOM 0 HB3 GLU A 49 2.745 -6.490 0.541 1.00 43.14 H new ATOM 0 HG2 GLU A 49 2.295 -5.840 -1.814 1.00 55.34 H new ATOM 0 HG3 GLU A 49 3.769 -4.893 -1.837 1.00 55.34 H new ATOM 808 N VAL A 50 0.860 -3.793 -1.210 1.00 70.31 N ATOM 809 CA VAL A 50 -0.421 -3.805 -1.923 1.00 43.43 C ATOM 810 C VAL A 50 -0.247 -4.184 -3.407 1.00 43.23 C ATOM 811 O VAL A 50 0.573 -3.600 -4.121 1.00 40.30 O ATOM 812 CB VAL A 50 -1.142 -2.435 -1.814 1.00 14.15 C ATOM 813 CG1 VAL A 50 -0.279 -1.302 -2.371 1.00 23.31 C ATOM 814 CG2 VAL A 50 -2.503 -2.480 -2.514 1.00 61.41 C ATOM 0 H VAL A 50 1.603 -3.289 -1.694 1.00 70.31 H new ATOM 0 HA VAL A 50 -1.037 -4.566 -1.444 1.00 43.43 H new ATOM 0 HB VAL A 50 -1.308 -2.232 -0.756 1.00 14.15 H new ATOM 0 HG11 VAL A 50 -0.815 -0.357 -2.279 1.00 23.31 H new ATOM 0 HG12 VAL A 50 0.654 -1.246 -1.810 1.00 23.31 H new ATOM 0 HG13 VAL A 50 -0.060 -1.494 -3.421 1.00 23.31 H new ATOM 0 HG21 VAL A 50 -2.990 -1.509 -2.425 1.00 61.41 H new ATOM 0 HG22 VAL A 50 -2.362 -2.720 -3.568 1.00 61.41 H new ATOM 0 HG23 VAL A 50 -3.127 -3.243 -2.048 1.00 61.41 H new ATOM 824 N GLU A 51 -1.008 -5.180 -3.856 1.00 14.32 N ATOM 825 CA GLU A 51 -0.993 -5.602 -5.262 1.00 43.34 C ATOM 826 C GLU A 51 -1.943 -4.737 -6.117 1.00 1.20 C ATOM 827 O GLU A 51 -3.164 -4.914 -6.091 1.00 34.42 O ATOM 828 CB GLU A 51 -1.383 -7.088 -5.365 1.00 13.42 C ATOM 829 CG GLU A 51 -1.540 -7.599 -6.796 1.00 44.32 C ATOM 830 CD GLU A 51 -2.066 -9.027 -6.855 1.00 30.02 C ATOM 831 OE1 GLU A 51 -3.266 -9.232 -6.585 1.00 23.35 O ATOM 832 OE2 GLU A 51 -1.285 -9.947 -7.180 1.00 14.01 O ATOM 0 H GLU A 51 -1.647 -5.714 -3.267 1.00 14.32 H new ATOM 0 HA GLU A 51 0.017 -5.467 -5.649 1.00 43.34 H new ATOM 0 HB2 GLU A 51 -0.625 -7.686 -4.859 1.00 13.42 H new ATOM 0 HB3 GLU A 51 -2.321 -7.243 -4.831 1.00 13.42 H new ATOM 0 HG2 GLU A 51 -2.220 -6.943 -7.339 1.00 44.32 H new ATOM 0 HG3 GLU A 51 -0.576 -7.550 -7.303 1.00 44.32 H new ATOM 839 N VAL A 52 -1.372 -3.795 -6.868 1.00 41.44 N ATOM 840 CA VAL A 52 -2.147 -2.907 -7.749 1.00 62.22 C ATOM 841 C VAL A 52 -1.807 -3.169 -9.226 1.00 20.25 C ATOM 842 O VAL A 52 -0.652 -3.049 -9.631 1.00 33.14 O ATOM 843 CB VAL A 52 -1.875 -1.418 -7.412 1.00 75.05 C ATOM 844 CG1 VAL A 52 -2.721 -0.496 -8.291 1.00 32.00 C ATOM 845 CG2 VAL A 52 -2.134 -1.149 -5.932 1.00 54.44 C ATOM 0 H VAL A 52 -0.367 -3.623 -6.887 1.00 41.44 H new ATOM 0 HA VAL A 52 -3.203 -3.120 -7.584 1.00 62.22 H new ATOM 0 HB VAL A 52 -0.826 -1.207 -7.619 1.00 75.05 H new ATOM 0 HG11 VAL A 52 -2.512 0.543 -8.035 1.00 32.00 H new ATOM 0 HG12 VAL A 52 -2.477 -0.668 -9.339 1.00 32.00 H new ATOM 0 HG13 VAL A 52 -3.778 -0.705 -8.126 1.00 32.00 H new ATOM 0 HG21 VAL A 52 -1.938 -0.099 -5.713 1.00 54.44 H new ATOM 0 HG22 VAL A 52 -3.173 -1.381 -5.696 1.00 54.44 H new ATOM 0 HG23 VAL A 52 -1.476 -1.774 -5.328 1.00 54.44 H new ATOM 855 N ASP A 53 -2.817 -3.540 -10.019 1.00 52.24 N ATOM 856 CA ASP A 53 -2.617 -3.902 -11.434 1.00 53.24 C ATOM 857 C ASP A 53 -1.640 -5.083 -11.574 1.00 64.32 C ATOM 858 O ASP A 53 -0.962 -5.232 -12.595 1.00 21.11 O ATOM 859 CB ASP A 53 -2.104 -2.697 -12.238 1.00 50.11 C ATOM 860 CG ASP A 53 -3.097 -1.551 -12.269 1.00 24.54 C ATOM 861 OD1 ASP A 53 -4.159 -1.698 -12.904 1.00 64.42 O ATOM 862 OD2 ASP A 53 -2.824 -0.499 -11.660 1.00 34.41 O ATOM 0 H ASP A 53 -3.786 -3.599 -9.708 1.00 52.24 H new ATOM 0 HA ASP A 53 -3.584 -4.206 -11.835 1.00 53.24 H new ATOM 0 HB2 ASP A 53 -1.166 -2.349 -11.805 1.00 50.11 H new ATOM 0 HB3 ASP A 53 -1.886 -3.012 -13.259 1.00 50.11 H new ATOM 867 N GLY A 54 -1.589 -5.930 -10.549 1.00 14.42 N ATOM 868 CA GLY A 54 -0.647 -7.048 -10.537 1.00 42.43 C ATOM 869 C GLY A 54 0.738 -6.653 -10.026 1.00 62.43 C ATOM 870 O GLY A 54 1.575 -7.513 -9.752 1.00 72.40 O ATOM 0 H GLY A 54 -2.183 -5.866 -9.722 1.00 14.42 H new ATOM 0 HA2 GLY A 54 -1.046 -7.846 -9.911 1.00 42.43 H new ATOM 0 HA3 GLY A 54 -0.555 -7.450 -11.546 1.00 42.43 H new ATOM 874 N GLN A 55 0.970 -5.349 -9.891 1.00 70.32 N ATOM 875 CA GLN A 55 2.256 -4.820 -9.424 1.00 40.12 C ATOM 876 C GLN A 55 2.230 -4.611 -7.905 1.00 34.43 C ATOM 877 O GLN A 55 1.333 -3.961 -7.379 1.00 65.33 O ATOM 878 CB GLN A 55 2.560 -3.491 -10.127 1.00 41.52 C ATOM 879 CG GLN A 55 2.440 -3.564 -11.643 1.00 34.12 C ATOM 880 CD GLN A 55 2.613 -2.212 -12.311 1.00 40.11 C ATOM 881 OE1 GLN A 55 1.529 -1.475 -12.442 1.00 12.34 O flip ATOM 882 NE2 GLN A 55 3.714 -1.825 -12.692 1.00 14.24 N flip ATOM 0 H GLN A 55 0.278 -4.630 -10.100 1.00 70.32 H new ATOM 0 HA GLN A 55 3.037 -5.541 -9.664 1.00 40.12 H new ATOM 0 HB2 GLN A 55 1.878 -2.727 -9.753 1.00 41.52 H new ATOM 0 HB3 GLN A 55 3.569 -3.173 -9.865 1.00 41.52 H new ATOM 0 HG2 GLN A 55 3.190 -4.254 -12.030 1.00 34.12 H new ATOM 0 HG3 GLN A 55 1.465 -3.973 -11.907 1.00 34.12 H new ATOM 0 HE21 GLN A 55 4.533 -2.422 -12.575 1.00 14.24 H new ATOM 0 HE22 GLN A 55 3.810 -0.907 -13.126 1.00 14.24 H new ATOM 891 N LYS A 56 3.210 -5.163 -7.200 1.00 1.52 N ATOM 892 CA LYS A 56 3.246 -5.067 -5.735 1.00 44.35 C ATOM 893 C LYS A 56 4.050 -3.848 -5.255 1.00 11.13 C ATOM 894 O LYS A 56 5.240 -3.715 -5.545 1.00 2.41 O ATOM 895 CB LYS A 56 3.828 -6.350 -5.129 1.00 0.42 C ATOM 896 CG LYS A 56 2.904 -7.563 -5.219 1.00 42.54 C ATOM 897 CD LYS A 56 2.738 -8.063 -6.647 1.00 64.52 C ATOM 898 CE LYS A 56 1.872 -9.311 -6.706 1.00 32.43 C ATOM 899 NZ LYS A 56 2.482 -10.454 -5.973 1.00 71.53 N ATOM 0 H LYS A 56 3.988 -5.680 -7.610 1.00 1.52 H new ATOM 0 HA LYS A 56 2.218 -4.940 -5.395 1.00 44.35 H new ATOM 0 HB2 LYS A 56 4.765 -6.584 -5.634 1.00 0.42 H new ATOM 0 HB3 LYS A 56 4.067 -6.167 -4.081 1.00 0.42 H new ATOM 0 HG2 LYS A 56 3.303 -8.367 -4.600 1.00 42.54 H new ATOM 0 HG3 LYS A 56 1.927 -7.303 -4.812 1.00 42.54 H new ATOM 0 HD2 LYS A 56 2.290 -7.279 -7.258 1.00 64.52 H new ATOM 0 HD3 LYS A 56 3.718 -8.279 -7.074 1.00 64.52 H new ATOM 0 HE2 LYS A 56 0.892 -9.091 -6.282 1.00 32.43 H new ATOM 0 HE3 LYS A 56 1.713 -9.592 -7.747 1.00 32.43 H new ATOM 0 HZ1 LYS A 56 1.980 -11.331 -6.218 1.00 71.53 H new ATOM 0 HZ2 LYS A 56 3.484 -10.542 -6.239 1.00 71.53 H new ATOM 0 HZ3 LYS A 56 2.409 -10.288 -4.949 1.00 71.53 H new ATOM 913 N PHE A 57 3.390 -2.974 -4.500 1.00 34.14 N ATOM 914 CA PHE A 57 4.028 -1.773 -3.944 1.00 30.25 C ATOM 915 C PHE A 57 4.108 -1.849 -2.410 1.00 4.23 C ATOM 916 O PHE A 57 3.106 -2.099 -1.740 1.00 25.13 O ATOM 917 CB PHE A 57 3.248 -0.520 -4.371 1.00 24.14 C ATOM 918 CG PHE A 57 3.183 -0.319 -5.868 1.00 62.53 C ATOM 919 CD1 PHE A 57 4.184 0.375 -6.530 1.00 64.13 C ATOM 920 CD2 PHE A 57 2.118 -0.817 -6.608 1.00 14.15 C ATOM 921 CE1 PHE A 57 4.128 0.570 -7.897 1.00 73.11 C ATOM 922 CE2 PHE A 57 2.056 -0.623 -7.976 1.00 5.52 C ATOM 923 CZ PHE A 57 3.064 0.072 -8.621 1.00 24.10 C ATOM 0 H PHE A 57 2.405 -3.072 -4.255 1.00 34.14 H new ATOM 0 HA PHE A 57 5.044 -1.714 -4.334 1.00 30.25 H new ATOM 0 HB2 PHE A 57 2.233 -0.585 -3.979 1.00 24.14 H new ATOM 0 HB3 PHE A 57 3.710 0.356 -3.916 1.00 24.14 H new ATOM 0 HD1 PHE A 57 5.019 0.769 -5.970 1.00 64.13 H new ATOM 0 HD2 PHE A 57 1.330 -1.362 -6.110 1.00 14.15 H new ATOM 0 HE1 PHE A 57 4.916 1.112 -8.398 1.00 73.11 H new ATOM 0 HE2 PHE A 57 1.222 -1.013 -8.540 1.00 5.52 H new ATOM 0 HZ PHE A 57 3.018 0.224 -9.689 1.00 24.10 H new ATOM 933 N GLN A 58 5.304 -1.640 -1.858 1.00 42.12 N ATOM 934 CA GLN A 58 5.518 -1.732 -0.405 1.00 74.14 C ATOM 935 C GLN A 58 5.740 -0.359 0.248 1.00 54.43 C ATOM 936 O GLN A 58 6.164 0.600 -0.404 1.00 71.22 O ATOM 937 CB GLN A 58 6.717 -2.644 -0.102 1.00 65.34 C ATOM 938 CG GLN A 58 6.450 -4.119 -0.367 1.00 1.42 C ATOM 939 CD GLN A 58 7.651 -4.999 -0.069 1.00 73.13 C ATOM 940 OE1 GLN A 58 8.486 -4.672 0.766 1.00 35.24 O ATOM 941 NE2 GLN A 58 7.736 -6.131 -0.731 1.00 11.10 N ATOM 0 H GLN A 58 6.142 -1.406 -2.391 1.00 42.12 H new ATOM 0 HA GLN A 58 4.608 -2.155 0.021 1.00 74.14 H new ATOM 0 HB2 GLN A 58 7.566 -2.324 -0.705 1.00 65.34 H new ATOM 0 HB3 GLN A 58 7.003 -2.518 0.942 1.00 65.34 H new ATOM 0 HG2 GLN A 58 5.607 -4.446 0.241 1.00 1.42 H new ATOM 0 HG3 GLN A 58 6.160 -4.249 -1.410 1.00 1.42 H new ATOM 0 HE21 GLN A 58 7.024 -6.374 -1.420 1.00 11.10 H new ATOM 0 HE22 GLN A 58 8.514 -6.767 -0.556 1.00 11.10 H new ATOM 950 N GLY A 59 5.455 -0.283 1.545 1.00 63.02 N ATOM 951 CA GLY A 59 5.680 0.941 2.309 1.00 13.42 C ATOM 952 C GLY A 59 5.944 0.666 3.787 1.00 75.52 C ATOM 953 O GLY A 59 5.417 -0.297 4.349 1.00 12.43 O ATOM 0 H GLY A 59 5.068 -1.054 2.089 1.00 63.02 H new ATOM 0 HA2 GLY A 59 6.528 1.479 1.886 1.00 13.42 H new ATOM 0 HA3 GLY A 59 4.810 1.591 2.213 1.00 13.42 H new ATOM 957 N ALA A 60 6.760 1.508 4.420 1.00 74.42 N ATOM 958 CA ALA A 60 7.129 1.322 5.828 1.00 24.10 C ATOM 959 C ALA A 60 6.631 2.475 6.712 1.00 62.10 C ATOM 960 O ALA A 60 6.663 3.637 6.309 1.00 55.21 O ATOM 961 CB ALA A 60 8.642 1.173 5.959 1.00 13.42 C ATOM 0 H ALA A 60 7.180 2.328 3.982 1.00 74.42 H new ATOM 0 HA ALA A 60 6.643 0.411 6.176 1.00 24.10 H new ATOM 0 HB1 ALA A 60 8.905 1.036 7.008 1.00 13.42 H new ATOM 0 HB2 ALA A 60 8.973 0.307 5.386 1.00 13.42 H new ATOM 0 HB3 ALA A 60 9.130 2.070 5.577 1.00 13.42 H new ATOM 967 N GLY A 61 6.178 2.145 7.921 1.00 43.30 N ATOM 968 CA GLY A 61 5.678 3.159 8.846 1.00 15.32 C ATOM 969 C GLY A 61 5.695 2.706 10.305 1.00 32.05 C ATOM 970 O GLY A 61 6.084 1.576 10.609 1.00 63.34 O ATOM 0 H GLY A 61 6.147 1.191 8.280 1.00 43.30 H new ATOM 0 HA2 GLY A 61 6.281 4.061 8.746 1.00 15.32 H new ATOM 0 HA3 GLY A 61 4.658 3.424 8.567 1.00 15.32 H new ATOM 974 N SER A 62 5.268 3.595 11.207 1.00 31.04 N ATOM 975 CA SER A 62 5.253 3.312 12.655 1.00 32.41 C ATOM 976 C SER A 62 4.332 2.135 13.016 1.00 54.13 C ATOM 977 O SER A 62 4.634 1.359 13.919 1.00 62.10 O ATOM 978 CB SER A 62 4.819 4.559 13.439 1.00 24.43 C ATOM 979 OG SER A 62 5.719 5.641 13.232 1.00 43.34 O ATOM 0 H SER A 62 4.925 4.524 10.963 1.00 31.04 H new ATOM 0 HA SER A 62 6.270 3.034 12.931 1.00 32.41 H new ATOM 0 HB2 SER A 62 3.816 4.854 13.131 1.00 24.43 H new ATOM 0 HB3 SER A 62 4.769 4.323 14.502 1.00 24.43 H new ATOM 0 HG SER A 62 5.416 6.421 13.742 1.00 43.34 H new ATOM 985 N ASN A 63 3.201 2.014 12.324 1.00 65.34 N ATOM 986 CA ASN A 63 2.282 0.890 12.546 1.00 42.24 C ATOM 987 C ASN A 63 1.723 0.363 11.213 1.00 12.24 C ATOM 988 O ASN A 63 2.058 0.884 10.146 1.00 11.01 O ATOM 989 CB ASN A 63 1.151 1.297 13.512 1.00 2.11 C ATOM 990 CG ASN A 63 0.255 2.408 12.982 1.00 60.21 C ATOM 991 OD1 ASN A 63 0.001 2.510 11.790 1.00 20.02 O ATOM 992 ND2 ASN A 63 -0.230 3.254 13.869 1.00 61.34 N ATOM 0 H ASN A 63 2.897 2.674 11.608 1.00 65.34 H new ATOM 0 HA ASN A 63 2.840 0.076 13.009 1.00 42.24 H new ATOM 0 HB2 ASN A 63 0.538 0.422 13.727 1.00 2.11 H new ATOM 0 HB3 ASN A 63 1.591 1.618 14.456 1.00 2.11 H new ATOM 0 HD21 ASN A 63 -0.834 4.018 13.567 1.00 61.34 H new ATOM 0 HD22 ASN A 63 -0.001 3.144 14.857 1.00 61.34 H new ATOM 999 N LYS A 64 0.874 -0.663 11.278 1.00 62.12 N ATOM 1000 CA LYS A 64 0.332 -1.296 10.066 1.00 3.50 C ATOM 1001 C LYS A 64 -0.385 -0.280 9.160 1.00 61.40 C ATOM 1002 O LYS A 64 -0.232 -0.311 7.943 1.00 1.11 O ATOM 1003 CB LYS A 64 -0.632 -2.435 10.435 1.00 24.33 C ATOM 1004 CG LYS A 64 0.008 -3.550 11.262 1.00 62.10 C ATOM 1005 CD LYS A 64 -1.007 -4.623 11.649 1.00 4.15 C ATOM 1006 CE LYS A 64 -0.429 -5.630 12.640 1.00 71.02 C ATOM 1007 NZ LYS A 64 0.687 -6.425 12.062 1.00 41.42 N ATOM 0 H LYS A 64 0.545 -1.075 12.151 1.00 62.12 H new ATOM 0 HA LYS A 64 1.177 -1.704 9.512 1.00 3.50 H new ATOM 0 HB2 LYS A 64 -1.472 -2.020 10.992 1.00 24.33 H new ATOM 0 HB3 LYS A 64 -1.038 -2.864 9.519 1.00 24.33 H new ATOM 0 HG2 LYS A 64 0.819 -4.005 10.693 1.00 62.10 H new ATOM 0 HG3 LYS A 64 0.450 -3.126 12.164 1.00 62.10 H new ATOM 0 HD2 LYS A 64 -1.886 -4.149 12.086 1.00 4.15 H new ATOM 0 HD3 LYS A 64 -1.339 -5.147 10.753 1.00 4.15 H new ATOM 0 HE2 LYS A 64 -0.073 -5.101 13.524 1.00 71.02 H new ATOM 0 HE3 LYS A 64 -1.219 -6.305 12.969 1.00 71.02 H new ATOM 0 HZ1 LYS A 64 0.477 -7.439 12.159 1.00 41.42 H new ATOM 0 HZ2 LYS A 64 0.796 -6.189 11.055 1.00 41.42 H new ATOM 0 HZ3 LYS A 64 1.569 -6.204 12.567 1.00 41.42 H new ATOM 1021 N LYS A 65 -1.143 0.635 9.764 1.00 53.31 N ATOM 1022 CA LYS A 65 -1.928 1.620 9.005 1.00 33.10 C ATOM 1023 C LYS A 65 -1.020 2.632 8.300 1.00 34.34 C ATOM 1024 O LYS A 65 -1.178 2.913 7.111 1.00 25.45 O ATOM 1025 CB LYS A 65 -2.900 2.348 9.942 1.00 13.11 C ATOM 1026 CG LYS A 65 -3.739 1.400 10.788 1.00 72.51 C ATOM 1027 CD LYS A 65 -4.462 0.375 9.923 1.00 5.32 C ATOM 1028 CE LYS A 65 -5.042 -0.760 10.750 1.00 40.51 C ATOM 1029 NZ LYS A 65 -6.119 -0.297 11.664 1.00 72.22 N ATOM 0 H LYS A 65 -1.233 0.718 10.777 1.00 53.31 H new ATOM 0 HA LYS A 65 -2.493 1.086 8.241 1.00 33.10 H new ATOM 0 HB2 LYS A 65 -2.335 3.008 10.600 1.00 13.11 H new ATOM 0 HB3 LYS A 65 -3.562 2.979 9.349 1.00 13.11 H new ATOM 0 HG2 LYS A 65 -3.099 0.886 11.505 1.00 72.51 H new ATOM 0 HG3 LYS A 65 -4.467 1.971 11.363 1.00 72.51 H new ATOM 0 HD2 LYS A 65 -5.263 0.867 9.371 1.00 5.32 H new ATOM 0 HD3 LYS A 65 -3.769 -0.031 9.186 1.00 5.32 H new ATOM 0 HE2 LYS A 65 -5.438 -1.527 10.084 1.00 40.51 H new ATOM 0 HE3 LYS A 65 -4.247 -1.224 11.334 1.00 40.51 H new ATOM 0 HZ1 LYS A 65 -6.484 -1.105 12.207 1.00 72.22 H new ATOM 0 HZ2 LYS A 65 -5.737 0.416 12.318 1.00 72.22 H new ATOM 0 HZ3 LYS A 65 -6.890 0.123 11.107 1.00 72.22 H new ATOM 1043 N VAL A 66 -0.068 3.169 9.048 1.00 35.41 N ATOM 1044 CA VAL A 66 0.910 4.118 8.501 1.00 10.31 C ATOM 1045 C VAL A 66 1.745 3.463 7.388 1.00 75.35 C ATOM 1046 O VAL A 66 2.014 4.076 6.352 1.00 45.02 O ATOM 1047 CB VAL A 66 1.853 4.660 9.609 1.00 53.31 C ATOM 1048 CG1 VAL A 66 2.867 5.646 9.034 1.00 32.12 C ATOM 1049 CG2 VAL A 66 1.043 5.312 10.726 1.00 72.35 C ATOM 0 H VAL A 66 0.054 2.967 10.040 1.00 35.41 H new ATOM 0 HA VAL A 66 0.350 4.954 8.082 1.00 10.31 H new ATOM 0 HB VAL A 66 2.405 3.817 10.026 1.00 53.31 H new ATOM 0 HG11 VAL A 66 3.514 6.009 9.832 1.00 32.12 H new ATOM 0 HG12 VAL A 66 3.471 5.147 8.276 1.00 32.12 H new ATOM 0 HG13 VAL A 66 2.341 6.487 8.582 1.00 32.12 H new ATOM 0 HG21 VAL A 66 1.719 5.687 11.495 1.00 72.35 H new ATOM 0 HG22 VAL A 66 0.462 6.140 10.319 1.00 72.35 H new ATOM 0 HG23 VAL A 66 0.368 4.576 11.164 1.00 72.35 H new ATOM 1059 N ALA A 67 2.134 2.207 7.605 1.00 61.33 N ATOM 1060 CA ALA A 67 2.866 1.437 6.596 1.00 62.12 C ATOM 1061 C ALA A 67 2.001 1.195 5.347 1.00 43.04 C ATOM 1062 O ALA A 67 2.476 1.310 4.218 1.00 40.42 O ATOM 1063 CB ALA A 67 3.345 0.114 7.184 1.00 53.41 C ATOM 0 H ALA A 67 1.955 1.699 8.471 1.00 61.33 H new ATOM 0 HA ALA A 67 3.736 2.018 6.291 1.00 62.12 H new ATOM 0 HB1 ALA A 67 3.887 -0.447 6.423 1.00 53.41 H new ATOM 0 HB2 ALA A 67 4.005 0.309 8.030 1.00 53.41 H new ATOM 0 HB3 ALA A 67 2.486 -0.467 7.520 1.00 53.41 H new ATOM 1069 N LYS A 68 0.722 0.864 5.562 1.00 53.53 N ATOM 1070 CA LYS A 68 -0.241 0.720 4.458 1.00 14.02 C ATOM 1071 C LYS A 68 -0.449 2.054 3.727 1.00 54.24 C ATOM 1072 O LYS A 68 -0.712 2.077 2.528 1.00 5.31 O ATOM 1073 CB LYS A 68 -1.595 0.197 4.973 1.00 22.34 C ATOM 1074 CG LYS A 68 -1.563 -1.261 5.429 1.00 15.13 C ATOM 1075 CD LYS A 68 -2.899 -1.715 6.018 1.00 31.35 C ATOM 1076 CE LYS A 68 -4.036 -1.613 5.006 1.00 43.43 C ATOM 1077 NZ LYS A 68 -5.306 -2.161 5.546 1.00 4.42 N ATOM 0 H LYS A 68 0.328 0.691 6.487 1.00 53.53 H new ATOM 0 HA LYS A 68 0.175 -0.003 3.756 1.00 14.02 H new ATOM 0 HB2 LYS A 68 -1.921 0.821 5.805 1.00 22.34 H new ATOM 0 HB3 LYS A 68 -2.339 0.304 4.183 1.00 22.34 H new ATOM 0 HG2 LYS A 68 -1.306 -1.898 4.583 1.00 15.13 H new ATOM 0 HG3 LYS A 68 -0.778 -1.389 6.174 1.00 15.13 H new ATOM 0 HD2 LYS A 68 -2.812 -2.746 6.362 1.00 31.35 H new ATOM 0 HD3 LYS A 68 -3.135 -1.107 6.891 1.00 31.35 H new ATOM 0 HE2 LYS A 68 -4.181 -0.570 4.726 1.00 43.43 H new ATOM 0 HE3 LYS A 68 -3.764 -2.152 4.099 1.00 43.43 H new ATOM 0 HZ1 LYS A 68 -6.054 -2.074 4.829 1.00 4.42 H new ATOM 0 HZ2 LYS A 68 -5.176 -3.164 5.790 1.00 4.42 H new ATOM 0 HZ3 LYS A 68 -5.579 -1.630 6.398 1.00 4.42 H new ATOM 1091 N ALA A 69 -0.340 3.159 4.461 1.00 72.32 N ATOM 1092 CA ALA A 69 -0.455 4.495 3.869 1.00 55.04 C ATOM 1093 C ALA A 69 0.666 4.746 2.849 1.00 1.10 C ATOM 1094 O ALA A 69 0.408 5.149 1.714 1.00 43.20 O ATOM 1095 CB ALA A 69 -0.438 5.563 4.959 1.00 61.01 C ATOM 0 H ALA A 69 -0.172 3.158 5.467 1.00 72.32 H new ATOM 0 HA ALA A 69 -1.407 4.551 3.341 1.00 55.04 H new ATOM 0 HB1 ALA A 69 -0.524 6.549 4.503 1.00 61.01 H new ATOM 0 HB2 ALA A 69 -1.275 5.403 5.638 1.00 61.01 H new ATOM 0 HB3 ALA A 69 0.498 5.501 5.515 1.00 61.01 H new ATOM 1101 N TYR A 70 1.910 4.494 3.260 1.00 43.12 N ATOM 1102 CA TYR A 70 3.060 4.626 2.357 1.00 71.23 C ATOM 1103 C TYR A 70 3.028 3.567 1.243 1.00 64.33 C ATOM 1104 O TYR A 70 3.419 3.840 0.110 1.00 45.11 O ATOM 1105 CB TYR A 70 4.380 4.540 3.138 1.00 13.21 C ATOM 1106 CG TYR A 70 4.662 5.760 3.995 1.00 24.53 C ATOM 1107 CD1 TYR A 70 5.052 6.963 3.411 1.00 10.31 C ATOM 1108 CD2 TYR A 70 4.536 5.717 5.378 1.00 4.32 C ATOM 1109 CE1 TYR A 70 5.313 8.081 4.179 1.00 63.01 C ATOM 1110 CE2 TYR A 70 4.796 6.831 6.154 1.00 31.32 C ATOM 1111 CZ TYR A 70 5.184 8.011 5.550 1.00 64.14 C ATOM 1112 OH TYR A 70 5.443 9.126 6.318 1.00 34.20 O ATOM 0 H TYR A 70 2.149 4.199 4.207 1.00 43.12 H new ATOM 0 HA TYR A 70 2.995 5.608 1.888 1.00 71.23 H new ATOM 0 HB2 TYR A 70 4.358 3.656 3.776 1.00 13.21 H new ATOM 0 HB3 TYR A 70 5.201 4.404 2.434 1.00 13.21 H new ATOM 0 HD1 TYR A 70 5.152 7.023 2.337 1.00 10.31 H new ATOM 0 HD2 TYR A 70 4.230 4.798 5.855 1.00 4.32 H new ATOM 0 HE1 TYR A 70 5.616 9.005 3.708 1.00 63.01 H new ATOM 0 HE2 TYR A 70 4.696 6.779 7.228 1.00 31.32 H new ATOM 0 HH TYR A 70 5.305 8.911 7.264 1.00 34.20 H new ATOM 1122 N ALA A 71 2.563 2.360 1.572 1.00 65.31 N ATOM 1123 CA ALA A 71 2.390 1.296 0.572 1.00 71.24 C ATOM 1124 C ALA A 71 1.399 1.721 -0.520 1.00 25.11 C ATOM 1125 O ALA A 71 1.674 1.597 -1.715 1.00 2.12 O ATOM 1126 CB ALA A 71 1.918 0.010 1.245 1.00 71.10 C ATOM 0 H ALA A 71 2.299 2.092 2.520 1.00 65.31 H new ATOM 0 HA ALA A 71 3.355 1.114 0.100 1.00 71.24 H new ATOM 0 HB1 ALA A 71 1.794 -0.770 0.493 1.00 71.10 H new ATOM 0 HB2 ALA A 71 2.657 -0.309 1.980 1.00 71.10 H new ATOM 0 HB3 ALA A 71 0.965 0.189 1.743 1.00 71.10 H new ATOM 1132 N ALA A 72 0.247 2.232 -0.094 1.00 12.23 N ATOM 1133 CA ALA A 72 -0.772 2.737 -1.014 1.00 63.11 C ATOM 1134 C ALA A 72 -0.238 3.911 -1.845 1.00 43.55 C ATOM 1135 O ALA A 72 -0.444 3.969 -3.056 1.00 41.32 O ATOM 1136 CB ALA A 72 -2.020 3.153 -0.245 1.00 14.03 C ATOM 0 H ALA A 72 -0.007 2.308 0.891 1.00 12.23 H new ATOM 0 HA ALA A 72 -1.034 1.933 -1.701 1.00 63.11 H new ATOM 0 HB1 ALA A 72 -2.770 3.527 -0.943 1.00 14.03 H new ATOM 0 HB2 ALA A 72 -2.420 2.293 0.291 1.00 14.03 H new ATOM 0 HB3 ALA A 72 -1.764 3.938 0.467 1.00 14.03 H new ATOM 1142 N LEU A 73 0.454 4.845 -1.189 1.00 32.24 N ATOM 1143 CA LEU A 73 1.068 5.985 -1.883 1.00 54.20 C ATOM 1144 C LEU A 73 2.149 5.531 -2.876 1.00 4.14 C ATOM 1145 O LEU A 73 2.334 6.148 -3.921 1.00 53.11 O ATOM 1146 CB LEU A 73 1.650 6.990 -0.873 1.00 13.12 C ATOM 1147 CG LEU A 73 0.607 7.843 -0.132 1.00 5.13 C ATOM 1148 CD1 LEU A 73 1.272 8.744 0.906 1.00 14.32 C ATOM 1149 CD2 LEU A 73 -0.213 8.672 -1.123 1.00 22.44 C ATOM 0 H LEU A 73 0.604 4.837 -0.180 1.00 32.24 H new ATOM 0 HA LEU A 73 0.283 6.480 -2.454 1.00 54.20 H new ATOM 0 HB2 LEU A 73 2.239 6.443 -0.137 1.00 13.12 H new ATOM 0 HB3 LEU A 73 2.335 7.656 -1.399 1.00 13.12 H new ATOM 0 HG LEU A 73 -0.069 7.168 0.394 1.00 5.13 H new ATOM 0 HD11 LEU A 73 0.511 9.336 1.415 1.00 14.32 H new ATOM 0 HD12 LEU A 73 1.802 8.130 1.635 1.00 14.32 H new ATOM 0 HD13 LEU A 73 1.979 9.410 0.411 1.00 14.32 H new ATOM 0 HD21 LEU A 73 -0.946 9.269 -0.580 1.00 22.44 H new ATOM 0 HD22 LEU A 73 0.450 9.332 -1.681 1.00 22.44 H new ATOM 0 HD23 LEU A 73 -0.729 8.006 -1.815 1.00 22.44 H new ATOM 1161 N ALA A 74 2.851 4.449 -2.558 1.00 35.31 N ATOM 1162 CA ALA A 74 3.841 3.884 -3.483 1.00 53.22 C ATOM 1163 C ALA A 74 3.184 3.482 -4.814 1.00 53.03 C ATOM 1164 O ALA A 74 3.818 3.512 -5.872 1.00 44.22 O ATOM 1165 CB ALA A 74 4.542 2.691 -2.844 1.00 13.44 C ATOM 0 H ALA A 74 2.758 3.945 -1.676 1.00 35.31 H new ATOM 0 HA ALA A 74 4.587 4.650 -3.697 1.00 53.22 H new ATOM 0 HB1 ALA A 74 5.273 2.282 -3.541 1.00 13.44 H new ATOM 0 HB2 ALA A 74 5.048 3.011 -1.934 1.00 13.44 H new ATOM 0 HB3 ALA A 74 3.806 1.925 -2.599 1.00 13.44 H new ATOM 1171 N ALA A 75 1.908 3.102 -4.740 1.00 52.12 N ATOM 1172 CA ALA A 75 1.108 2.789 -5.929 1.00 51.11 C ATOM 1173 C ALA A 75 0.481 4.055 -6.537 1.00 41.43 C ATOM 1174 O ALA A 75 0.591 4.303 -7.735 1.00 43.03 O ATOM 1175 CB ALA A 75 0.019 1.785 -5.572 1.00 21.31 C ATOM 0 H ALA A 75 1.401 3.002 -3.861 1.00 52.12 H new ATOM 0 HA ALA A 75 1.772 2.355 -6.676 1.00 51.11 H new ATOM 0 HB1 ALA A 75 -0.571 1.557 -6.460 1.00 21.31 H new ATOM 0 HB2 ALA A 75 0.477 0.870 -5.196 1.00 21.31 H new ATOM 0 HB3 ALA A 75 -0.629 2.208 -4.804 1.00 21.31 H new ATOM 1181 N LEU A 76 -0.170 4.856 -5.695 1.00 63.35 N ATOM 1182 CA LEU A 76 -0.864 6.075 -6.134 1.00 60.32 C ATOM 1183 C LEU A 76 0.086 7.090 -6.791 1.00 34.21 C ATOM 1184 O LEU A 76 -0.163 7.549 -7.899 1.00 54.12 O ATOM 1185 CB LEU A 76 -1.584 6.719 -4.943 1.00 45.55 C ATOM 1186 CG LEU A 76 -2.773 5.914 -4.387 1.00 64.45 C ATOM 1187 CD1 LEU A 76 -3.205 6.460 -3.033 1.00 31.24 C ATOM 1188 CD2 LEU A 76 -3.946 5.935 -5.366 1.00 73.12 C ATOM 0 H LEU A 76 -0.234 4.683 -4.692 1.00 63.35 H new ATOM 0 HA LEU A 76 -1.590 5.782 -6.892 1.00 60.32 H new ATOM 0 HB2 LEU A 76 -0.862 6.872 -4.141 1.00 45.55 H new ATOM 0 HB3 LEU A 76 -1.941 7.704 -5.243 1.00 45.55 H new ATOM 0 HG LEU A 76 -2.451 4.881 -4.257 1.00 64.45 H new ATOM 0 HD11 LEU A 76 -4.046 5.878 -2.657 1.00 31.24 H new ATOM 0 HD12 LEU A 76 -2.374 6.391 -2.331 1.00 31.24 H new ATOM 0 HD13 LEU A 76 -3.505 7.503 -3.140 1.00 31.24 H new ATOM 0 HD21 LEU A 76 -4.775 5.360 -4.953 1.00 73.12 H new ATOM 0 HD22 LEU A 76 -4.264 6.964 -5.530 1.00 73.12 H new ATOM 0 HD23 LEU A 76 -3.636 5.495 -6.314 1.00 73.12 H new ATOM 1200 N GLU A 77 1.178 7.429 -6.113 1.00 12.23 N ATOM 1201 CA GLU A 77 2.152 8.397 -6.643 1.00 61.24 C ATOM 1202 C GLU A 77 2.756 7.936 -7.983 1.00 52.22 C ATOM 1203 O GLU A 77 3.258 8.750 -8.761 1.00 12.12 O ATOM 1204 CB GLU A 77 3.281 8.629 -5.626 1.00 15.33 C ATOM 1205 CG GLU A 77 2.825 9.286 -4.324 1.00 73.12 C ATOM 1206 CD GLU A 77 2.220 10.666 -4.539 1.00 34.13 C ATOM 1207 OE1 GLU A 77 2.912 11.541 -5.110 1.00 12.40 O ATOM 1208 OE2 GLU A 77 1.057 10.883 -4.144 1.00 23.41 O ATOM 0 H GLU A 77 1.417 7.052 -5.196 1.00 12.23 H new ATOM 0 HA GLU A 77 1.615 9.329 -6.819 1.00 61.24 H new ATOM 0 HB2 GLU A 77 3.747 7.672 -5.393 1.00 15.33 H new ATOM 0 HB3 GLU A 77 4.047 9.253 -6.086 1.00 15.33 H new ATOM 0 HG2 GLU A 77 2.091 8.645 -3.837 1.00 73.12 H new ATOM 0 HG3 GLU A 77 3.675 9.369 -3.647 1.00 73.12 H new ATOM 1215 N LYS A 78 2.696 6.631 -8.240 1.00 14.02 N ATOM 1216 CA LYS A 78 3.286 6.040 -9.446 1.00 25.31 C ATOM 1217 C LYS A 78 2.244 5.906 -10.576 1.00 34.02 C ATOM 1218 O LYS A 78 2.464 6.365 -11.698 1.00 65.11 O ATOM 1219 CB LYS A 78 3.882 4.664 -9.086 1.00 72.15 C ATOM 1220 CG LYS A 78 4.921 4.123 -10.072 1.00 65.35 C ATOM 1221 CD LYS A 78 4.305 3.580 -11.357 1.00 62.14 C ATOM 1222 CE LYS A 78 5.367 3.011 -12.290 1.00 12.54 C ATOM 1223 NZ LYS A 78 6.402 4.020 -12.643 1.00 75.52 N ATOM 0 H LYS A 78 2.242 5.956 -7.626 1.00 14.02 H new ATOM 0 HA LYS A 78 4.074 6.697 -9.814 1.00 25.31 H new ATOM 0 HB2 LYS A 78 4.342 4.732 -8.100 1.00 72.15 H new ATOM 0 HB3 LYS A 78 3.068 3.943 -9.009 1.00 72.15 H new ATOM 0 HG2 LYS A 78 5.624 4.918 -10.321 1.00 65.35 H new ATOM 0 HG3 LYS A 78 5.493 3.331 -9.588 1.00 65.35 H new ATOM 0 HD2 LYS A 78 3.579 2.804 -11.114 1.00 62.14 H new ATOM 0 HD3 LYS A 78 3.762 4.376 -11.866 1.00 62.14 H new ATOM 0 HE2 LYS A 78 5.844 2.154 -11.815 1.00 12.54 H new ATOM 0 HE3 LYS A 78 4.891 2.647 -13.201 1.00 12.54 H new ATOM 0 HZ1 LYS A 78 6.972 3.669 -13.439 1.00 75.52 H new ATOM 0 HZ2 LYS A 78 5.940 4.911 -12.915 1.00 75.52 H new ATOM 0 HZ3 LYS A 78 7.019 4.186 -11.822 1.00 75.52 H new ATOM 1237 N LEU A 79 1.108 5.280 -10.268 1.00 43.23 N ATOM 1238 CA LEU A 79 0.078 4.971 -11.272 1.00 1.44 C ATOM 1239 C LEU A 79 -1.027 6.041 -11.335 1.00 14.24 C ATOM 1240 O LEU A 79 -1.851 6.039 -12.251 1.00 33.22 O ATOM 1241 CB LEU A 79 -0.544 3.601 -10.960 1.00 34.13 C ATOM 1242 CG LEU A 79 0.448 2.423 -10.918 1.00 4.13 C ATOM 1243 CD1 LEU A 79 -0.260 1.132 -10.513 1.00 73.32 C ATOM 1244 CD2 LEU A 79 1.149 2.257 -12.266 1.00 51.22 C ATOM 0 H LEU A 79 0.873 4.973 -9.324 1.00 43.23 H new ATOM 0 HA LEU A 79 0.566 4.955 -12.247 1.00 1.44 H new ATOM 0 HB2 LEU A 79 -1.052 3.661 -9.998 1.00 34.13 H new ATOM 0 HB3 LEU A 79 -1.306 3.387 -11.710 1.00 34.13 H new ATOM 0 HG LEU A 79 1.206 2.644 -10.166 1.00 4.13 H new ATOM 0 HD11 LEU A 79 0.460 0.314 -10.490 1.00 73.32 H new ATOM 0 HD12 LEU A 79 -0.702 1.254 -9.524 1.00 73.32 H new ATOM 0 HD13 LEU A 79 -1.044 0.905 -11.235 1.00 73.32 H new ATOM 0 HD21 LEU A 79 1.845 1.420 -12.214 1.00 51.22 H new ATOM 0 HD22 LEU A 79 0.407 2.064 -13.041 1.00 51.22 H new ATOM 0 HD23 LEU A 79 1.696 3.169 -12.506 1.00 51.22 H new ATOM 1256 N PHE A 80 -1.049 6.944 -10.357 1.00 4.14 N ATOM 1257 CA PHE A 80 -2.058 8.017 -10.299 1.00 44.41 C ATOM 1258 C PHE A 80 -1.427 9.376 -9.915 1.00 51.03 C ATOM 1259 O PHE A 80 -1.894 10.038 -8.984 1.00 52.00 O ATOM 1260 CB PHE A 80 -3.152 7.664 -9.273 1.00 25.44 C ATOM 1261 CG PHE A 80 -3.908 6.397 -9.573 1.00 63.42 C ATOM 1262 CD1 PHE A 80 -4.933 6.390 -10.506 1.00 35.05 C ATOM 1263 CD2 PHE A 80 -3.598 5.213 -8.916 1.00 63.43 C ATOM 1264 CE1 PHE A 80 -5.634 5.232 -10.778 1.00 3.44 C ATOM 1265 CE2 PHE A 80 -4.296 4.052 -9.185 1.00 74.30 C ATOM 1266 CZ PHE A 80 -5.314 4.062 -10.116 1.00 23.02 C ATOM 0 H PHE A 80 -0.380 6.960 -9.588 1.00 4.14 H new ATOM 0 HA PHE A 80 -2.493 8.106 -11.294 1.00 44.41 H new ATOM 0 HB2 PHE A 80 -2.693 7.573 -8.289 1.00 25.44 H new ATOM 0 HB3 PHE A 80 -3.861 8.490 -9.219 1.00 25.44 H new ATOM 0 HD1 PHE A 80 -5.186 7.302 -11.027 1.00 35.05 H new ATOM 0 HD2 PHE A 80 -2.802 5.200 -8.186 1.00 63.43 H new ATOM 0 HE1 PHE A 80 -6.431 5.241 -11.507 1.00 3.44 H new ATOM 0 HE2 PHE A 80 -4.045 3.138 -8.667 1.00 74.30 H new ATOM 0 HZ PHE A 80 -5.861 3.155 -10.328 1.00 23.02 H new