USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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 :FLIP amide:sc= -0.547 F(o=-2!,f=-0.55) USER MOD Single : A 21 MET CE :methyl 156:sc= -2.26! (180deg=-3.15!) USER MOD Single : A 24 ASN : amide:sc= -0.809 K(o=-0.81,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= 0.0041 (180deg=-1.67) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0.294 (180deg=0.169) USER MOD Single : A 32 TYR OH : rot 60:sc= -1.2 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -167:sc= -0.136 (180deg=-0.414) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.11 F(o=-1.3,f=-0.11) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 1.93 (180deg=0.99) USER MOD Single : A 58 GLN : amide:sc= 0.576 K(o=0.58,f=-0.71) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.01 K(o=-1,f=-13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.2 (180deg=-0.2) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0192 (180deg=-0.215) 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+ -170:sc=-0.00481 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.801 9.465 2.484 1.00 33.11 N ATOM 284 CA ASN A 18 -6.823 8.526 3.051 1.00 51.41 C ATOM 285 C ASN A 18 -6.304 7.561 1.963 1.00 14.13 C ATOM 286 O ASN A 18 -7.078 6.773 1.418 1.00 14.13 O ATOM 287 CB ASN A 18 -7.459 7.729 4.197 1.00 12.24 C ATOM 288 CG ASN A 18 -6.459 6.862 4.948 1.00 31.51 C ATOM 289 OD1 ASN A 18 -5.287 7.398 5.235 1.00 55.12 O flip ATOM 290 ND2 ASN A 18 -6.756 5.729 5.309 1.00 55.21 N flip ATOM 0 HA ASN A 18 -5.981 9.098 3.440 1.00 51.41 H new ATOM 0 HB2 ASN A 18 -7.928 8.421 4.896 1.00 12.24 H new ATOM 0 HB3 ASN A 18 -8.250 7.096 3.796 1.00 12.24 H new ATOM 0 HD21 ASN A 18 -7.669 5.341 5.072 1.00 55.21 H new ATOM 0 HD22 ASN A 18 -6.090 5.174 5.846 1.00 55.21 H new ATOM 297 N PRO A 19 -4.984 7.598 1.653 1.00 61.43 N ATOM 298 CA PRO A 19 -4.385 6.842 0.532 1.00 50.14 C ATOM 299 C PRO A 19 -4.881 5.393 0.421 1.00 73.15 C ATOM 300 O PRO A 19 -5.168 4.915 -0.675 1.00 43.14 O ATOM 301 CB PRO A 19 -2.871 6.870 0.834 1.00 44.11 C ATOM 302 CG PRO A 19 -2.734 7.511 2.181 1.00 64.52 C ATOM 303 CD PRO A 19 -3.956 8.367 2.362 1.00 72.30 C ATOM 0 HA PRO A 19 -4.659 7.291 -0.423 1.00 50.14 H new ATOM 0 HB2 PRO A 19 -2.454 5.863 0.836 1.00 44.11 H new ATOM 0 HB3 PRO A 19 -2.331 7.436 0.075 1.00 44.11 H new ATOM 0 HG2 PRO A 19 -2.666 6.758 2.966 1.00 64.52 H new ATOM 0 HG3 PRO A 19 -1.826 8.111 2.236 1.00 64.52 H new ATOM 0 HD2 PRO A 19 -4.204 8.504 3.414 1.00 72.30 H new ATOM 0 HD3 PRO A 19 -3.824 9.361 1.934 1.00 72.30 H new ATOM 311 N VAL A 20 -4.971 4.701 1.555 1.00 65.02 N ATOM 312 CA VAL A 20 -5.443 3.311 1.580 1.00 1.34 C ATOM 313 C VAL A 20 -6.869 3.190 1.012 1.00 42.05 C ATOM 314 O VAL A 20 -7.123 2.408 0.097 1.00 14.31 O ATOM 315 CB VAL A 20 -5.424 2.731 3.018 1.00 53.51 C ATOM 316 CG1 VAL A 20 -5.832 1.255 3.014 1.00 12.33 C ATOM 317 CG2 VAL A 20 -4.052 2.922 3.667 1.00 2.22 C ATOM 0 H VAL A 20 -4.724 5.077 2.471 1.00 65.02 H new ATOM 0 HA VAL A 20 -4.758 2.740 0.954 1.00 1.34 H new ATOM 0 HB VAL A 20 -6.153 3.279 3.614 1.00 53.51 H new ATOM 0 HG11 VAL A 20 -5.812 0.869 4.033 1.00 12.33 H new ATOM 0 HG12 VAL A 20 -6.839 1.157 2.609 1.00 12.33 H new ATOM 0 HG13 VAL A 20 -5.136 0.687 2.397 1.00 12.33 H new ATOM 0 HG21 VAL A 20 -4.065 2.507 4.675 1.00 2.22 H new ATOM 0 HG22 VAL A 20 -3.294 2.410 3.074 1.00 2.22 H new ATOM 0 HG23 VAL A 20 -3.817 3.985 3.716 1.00 2.22 H new ATOM 327 N MET A 21 -7.793 3.985 1.551 1.00 52.31 N ATOM 328 CA MET A 21 -9.194 3.940 1.118 1.00 4.43 C ATOM 329 C MET A 21 -9.352 4.473 -0.312 1.00 34.41 C ATOM 330 O MET A 21 -10.117 3.920 -1.100 1.00 2.44 O ATOM 331 CB MET A 21 -10.084 4.734 2.085 1.00 74.13 C ATOM 332 CG MET A 21 -10.010 4.241 3.528 1.00 74.20 C ATOM 333 SD MET A 21 -11.223 5.026 4.609 1.00 71.43 S ATOM 334 CE MET A 21 -10.800 6.759 4.416 1.00 44.20 C ATOM 0 H MET A 21 -7.600 4.666 2.285 1.00 52.31 H new ATOM 0 HA MET A 21 -9.511 2.897 1.126 1.00 4.43 H new ATOM 0 HB2 MET A 21 -9.794 5.784 2.053 1.00 74.13 H new ATOM 0 HB3 MET A 21 -11.118 4.678 1.743 1.00 74.13 H new ATOM 0 HG2 MET A 21 -10.162 3.162 3.545 1.00 74.20 H new ATOM 0 HG3 MET A 21 -9.010 4.428 3.918 1.00 74.20 H new ATOM 0 HE1 MET A 21 -11.669 7.374 4.650 1.00 44.20 H new ATOM 0 HE2 MET A 21 -9.984 7.012 5.092 1.00 44.20 H new ATOM 0 HE3 MET A 21 -10.490 6.946 3.388 1.00 44.20 H new ATOM 344 N GLU A 22 -8.618 5.537 -0.654 1.00 30.35 N ATOM 345 CA GLU A 22 -8.659 6.076 -2.016 1.00 21.41 C ATOM 346 C GLU A 22 -8.202 5.023 -3.032 1.00 31.24 C ATOM 347 O GLU A 22 -8.906 4.736 -3.996 1.00 3.40 O ATOM 348 CB GLU A 22 -7.782 7.329 -2.171 1.00 71.11 C ATOM 349 CG GLU A 22 -7.745 7.836 -3.615 1.00 61.41 C ATOM 350 CD GLU A 22 -6.852 9.044 -3.829 1.00 70.43 C ATOM 351 OE1 GLU A 22 -7.265 10.158 -3.461 1.00 42.04 O ATOM 352 OE2 GLU A 22 -5.754 8.884 -4.410 1.00 35.41 O ATOM 0 H GLU A 22 -7.997 6.036 -0.017 1.00 30.35 H new ATOM 0 HA GLU A 22 -9.696 6.353 -2.208 1.00 21.41 H new ATOM 0 HB2 GLU A 22 -8.161 8.118 -1.521 1.00 71.11 H new ATOM 0 HB3 GLU A 22 -6.768 7.103 -1.841 1.00 71.11 H new ATOM 0 HG2 GLU A 22 -7.405 7.028 -4.263 1.00 61.41 H new ATOM 0 HG3 GLU A 22 -8.759 8.089 -3.925 1.00 61.41 H new ATOM 359 N LEU A 23 -7.018 4.451 -2.805 1.00 11.35 N ATOM 360 CA LEU A 23 -6.457 3.427 -3.696 1.00 20.11 C ATOM 361 C LEU A 23 -7.437 2.257 -3.885 1.00 74.14 C ATOM 362 O LEU A 23 -7.633 1.775 -5.002 1.00 4.43 O ATOM 363 CB LEU A 23 -5.123 2.922 -3.136 1.00 63.10 C ATOM 364 CG LEU A 23 -4.360 1.935 -4.032 1.00 44.12 C ATOM 365 CD1 LEU A 23 -4.010 2.568 -5.377 1.00 34.30 C ATOM 366 CD2 LEU A 23 -3.107 1.434 -3.323 1.00 51.24 C ATOM 0 H LEU A 23 -6.424 4.680 -2.008 1.00 11.35 H new ATOM 0 HA LEU A 23 -6.286 3.879 -4.673 1.00 20.11 H new ATOM 0 HB2 LEU A 23 -4.481 3.782 -2.944 1.00 63.10 H new ATOM 0 HB3 LEU A 23 -5.311 2.443 -2.175 1.00 63.10 H new ATOM 0 HG LEU A 23 -5.009 1.082 -4.228 1.00 44.12 H new ATOM 0 HD11 LEU A 23 -3.470 1.846 -5.990 1.00 34.30 H new ATOM 0 HD12 LEU A 23 -4.925 2.865 -5.888 1.00 34.30 H new ATOM 0 HD13 LEU A 23 -3.384 3.445 -5.214 1.00 34.30 H new ATOM 0 HD21 LEU A 23 -2.577 0.735 -3.971 1.00 51.24 H new ATOM 0 HD22 LEU A 23 -2.458 2.278 -3.092 1.00 51.24 H new ATOM 0 HD23 LEU A 23 -3.389 0.929 -2.399 1.00 51.24 H new ATOM 378 N ASN A 24 -8.060 1.822 -2.786 1.00 35.02 N ATOM 379 CA ASN A 24 -9.101 0.783 -2.831 1.00 64.55 C ATOM 380 C ASN A 24 -10.240 1.157 -3.798 1.00 22.54 C ATOM 381 O ASN A 24 -10.917 0.282 -4.345 1.00 50.32 O ATOM 382 CB ASN A 24 -9.662 0.545 -1.421 1.00 61.24 C ATOM 383 CG ASN A 24 -8.707 -0.237 -0.532 1.00 51.55 C ATOM 384 OD1 ASN A 24 -7.956 -1.087 -0.998 1.00 22.44 O ATOM 385 ND2 ASN A 24 -8.737 0.034 0.757 1.00 4.25 N ATOM 0 H ASN A 24 -7.863 2.173 -1.849 1.00 35.02 H new ATOM 0 HA ASN A 24 -8.642 -0.134 -3.201 1.00 64.55 H new ATOM 0 HB2 ASN A 24 -9.881 1.506 -0.955 1.00 61.24 H new ATOM 0 HB3 ASN A 24 -10.606 0.005 -1.497 1.00 61.24 H new ATOM 0 HD21 ASN A 24 -8.124 -0.469 1.398 1.00 4.25 H new ATOM 0 HD22 ASN A 24 -9.373 0.747 1.114 1.00 4.25 H new ATOM 392 N GLU A 25 -10.456 2.458 -3.993 1.00 75.12 N ATOM 393 CA GLU A 25 -11.465 2.950 -4.942 1.00 25.42 C ATOM 394 C GLU A 25 -10.854 3.209 -6.334 1.00 64.15 C ATOM 395 O GLU A 25 -11.531 3.078 -7.355 1.00 42.55 O ATOM 396 CB GLU A 25 -12.111 4.238 -4.406 1.00 61.34 C ATOM 397 CG GLU A 25 -12.687 4.093 -3.002 1.00 62.00 C ATOM 398 CD GLU A 25 -13.429 5.335 -2.534 1.00 13.02 C ATOM 399 OE1 GLU A 25 -12.778 6.281 -2.045 1.00 54.11 O ATOM 400 OE2 GLU A 25 -14.673 5.368 -2.654 1.00 10.53 O ATOM 0 H GLU A 25 -9.946 3.195 -3.506 1.00 75.12 H new ATOM 0 HA GLU A 25 -12.227 2.178 -5.047 1.00 25.42 H new ATOM 0 HB2 GLU A 25 -11.367 5.034 -4.404 1.00 61.34 H new ATOM 0 HB3 GLU A 25 -12.905 4.546 -5.086 1.00 61.34 H new ATOM 0 HG2 GLU A 25 -13.366 3.241 -2.980 1.00 62.00 H new ATOM 0 HG3 GLU A 25 -11.879 3.875 -2.304 1.00 62.00 H new ATOM 407 N LYS A 26 -9.574 3.581 -6.367 1.00 72.30 N ATOM 408 CA LYS A 26 -8.862 3.839 -7.630 1.00 24.03 C ATOM 409 C LYS A 26 -8.669 2.531 -8.418 1.00 72.02 C ATOM 410 O LYS A 26 -8.703 2.518 -9.650 1.00 73.13 O ATOM 411 CB LYS A 26 -7.497 4.496 -7.345 1.00 32.22 C ATOM 412 CG LYS A 26 -7.587 5.779 -6.516 1.00 53.44 C ATOM 413 CD LYS A 26 -8.177 6.957 -7.298 1.00 0.04 C ATOM 414 CE LYS A 26 -7.092 7.783 -7.986 1.00 61.42 C ATOM 415 NZ LYS A 26 -6.242 8.519 -7.004 1.00 42.31 N ATOM 0 H LYS A 26 -9.002 3.712 -5.532 1.00 72.30 H new ATOM 0 HA LYS A 26 -9.462 4.520 -8.234 1.00 24.03 H new ATOM 0 HB2 LYS A 26 -6.863 3.781 -6.821 1.00 32.22 H new ATOM 0 HB3 LYS A 26 -7.008 4.721 -8.293 1.00 32.22 H new ATOM 0 HG2 LYS A 26 -8.199 5.593 -5.634 1.00 53.44 H new ATOM 0 HG3 LYS A 26 -6.591 6.047 -6.162 1.00 53.44 H new ATOM 0 HD2 LYS A 26 -8.877 6.583 -8.045 1.00 0.04 H new ATOM 0 HD3 LYS A 26 -8.744 7.595 -6.620 1.00 0.04 H new ATOM 0 HE2 LYS A 26 -6.464 7.127 -8.589 1.00 61.42 H new ATOM 0 HE3 LYS A 26 -7.556 8.495 -8.669 1.00 61.42 H new ATOM 0 HZ1 LYS A 26 -5.240 8.401 -7.255 1.00 42.31 H new ATOM 0 HZ2 LYS A 26 -6.487 9.530 -7.022 1.00 42.31 H new ATOM 0 HZ3 LYS A 26 -6.406 8.140 -6.050 1.00 42.31 H new ATOM 429 N ARG A 27 -8.469 1.433 -7.689 1.00 75.30 N ATOM 430 CA ARG A 27 -8.353 0.098 -8.285 1.00 65.24 C ATOM 431 C ARG A 27 -9.119 -0.944 -7.461 1.00 10.41 C ATOM 432 O ARG A 27 -8.714 -1.299 -6.357 1.00 53.25 O ATOM 433 CB ARG A 27 -6.877 -0.321 -8.419 1.00 2.32 C ATOM 434 CG ARG A 27 -6.257 0.009 -9.772 1.00 64.22 C ATOM 435 CD ARG A 27 -6.979 -0.708 -10.910 1.00 52.14 C ATOM 436 NE ARG A 27 -6.291 -0.547 -12.188 1.00 33.23 N ATOM 437 CZ ARG A 27 -6.780 0.089 -13.218 1.00 40.24 C ATOM 438 NH1 ARG A 27 -7.935 0.669 -13.154 1.00 23.43 N ATOM 439 NH2 ARG A 27 -6.106 0.139 -14.318 1.00 55.25 N ATOM 0 H ARG A 27 -8.383 1.441 -6.673 1.00 75.30 H new ATOM 0 HA ARG A 27 -8.794 0.146 -9.281 1.00 65.24 H new ATOM 0 HB2 ARG A 27 -6.298 0.170 -7.637 1.00 2.32 H new ATOM 0 HB3 ARG A 27 -6.798 -1.394 -8.247 1.00 2.32 H new ATOM 0 HG2 ARG A 27 -6.295 1.086 -9.937 1.00 64.22 H new ATOM 0 HG3 ARG A 27 -5.205 -0.277 -9.770 1.00 64.22 H new ATOM 0 HD2 ARG A 27 -7.061 -1.769 -10.675 1.00 52.14 H new ATOM 0 HD3 ARG A 27 -7.994 -0.321 -10.995 1.00 52.14 H new ATOM 0 HE ARG A 27 -5.363 -0.960 -12.283 1.00 33.23 H new ATOM 0 HH11 ARG A 27 -8.477 0.633 -12.290 1.00 23.43 H new ATOM 0 HH12 ARG A 27 -8.304 1.162 -13.967 1.00 23.43 H new ATOM 0 HH21 ARG A 27 -5.196 -0.317 -14.380 1.00 55.25 H new ATOM 0 HH22 ARG A 27 -6.484 0.635 -15.125 1.00 55.25 H new ATOM 453 N ARG A 28 -10.233 -1.423 -8.002 1.00 44.25 N ATOM 454 CA ARG A 28 -11.020 -2.471 -7.342 1.00 22.00 C ATOM 455 C ARG A 28 -10.259 -3.812 -7.319 1.00 35.53 C ATOM 456 O ARG A 28 -9.589 -4.180 -8.292 1.00 75.41 O ATOM 457 CB ARG A 28 -12.392 -2.650 -8.024 1.00 62.22 C ATOM 458 CG ARG A 28 -12.351 -3.313 -9.407 1.00 43.31 C ATOM 459 CD ARG A 28 -11.678 -2.445 -10.467 1.00 50.31 C ATOM 460 NE ARG A 28 -11.655 -3.097 -11.776 1.00 65.31 N ATOM 461 CZ ARG A 28 -11.520 -2.463 -12.909 1.00 51.53 C ATOM 462 NH1 ARG A 28 -11.400 -1.173 -12.937 1.00 34.32 N ATOM 463 NH2 ARG A 28 -11.512 -3.127 -14.017 1.00 64.10 N ATOM 0 H ARG A 28 -10.615 -1.107 -8.893 1.00 44.25 H new ATOM 0 HA ARG A 28 -11.185 -2.152 -6.313 1.00 22.00 H new ATOM 0 HB2 ARG A 28 -13.029 -3.246 -7.371 1.00 62.22 H new ATOM 0 HB3 ARG A 28 -12.862 -1.671 -8.121 1.00 62.22 H new ATOM 0 HG2 ARG A 28 -11.820 -4.262 -9.333 1.00 43.31 H new ATOM 0 HG3 ARG A 28 -13.369 -3.541 -9.725 1.00 43.31 H new ATOM 0 HD2 ARG A 28 -12.205 -1.494 -10.545 1.00 50.31 H new ATOM 0 HD3 ARG A 28 -10.658 -2.219 -10.156 1.00 50.31 H new ATOM 0 HE ARG A 28 -11.751 -4.112 -11.805 1.00 65.31 H new ATOM 0 HH11 ARG A 28 -11.410 -0.641 -12.067 1.00 34.32 H new ATOM 0 HH12 ARG A 28 -11.295 -0.690 -13.829 1.00 34.32 H new ATOM 0 HH21 ARG A 28 -11.611 -4.142 -14.004 1.00 64.10 H new ATOM 0 HH22 ARG A 28 -11.407 -2.636 -14.905 1.00 64.10 H new ATOM 477 N GLY A 29 -10.363 -4.534 -6.206 1.00 61.43 N ATOM 478 CA GLY A 29 -9.700 -5.828 -6.078 1.00 14.33 C ATOM 479 C GLY A 29 -8.201 -5.719 -5.805 1.00 74.23 C ATOM 480 O GLY A 29 -7.381 -6.170 -6.606 1.00 43.42 O ATOM 0 H GLY A 29 -10.896 -4.247 -5.385 1.00 61.43 H new ATOM 0 HA2 GLY A 29 -10.169 -6.389 -5.270 1.00 14.33 H new ATOM 0 HA3 GLY A 29 -9.854 -6.399 -6.994 1.00 14.33 H new ATOM 484 N LEU A 30 -7.841 -5.123 -4.673 1.00 34.04 N ATOM 485 CA LEU A 30 -6.430 -4.993 -4.282 1.00 10.23 C ATOM 486 C LEU A 30 -6.006 -6.097 -3.310 1.00 14.24 C ATOM 487 O LEU A 30 -6.839 -6.768 -2.701 1.00 72.34 O ATOM 488 CB LEU A 30 -6.170 -3.629 -3.633 1.00 73.53 C ATOM 489 CG LEU A 30 -6.428 -2.415 -4.531 1.00 11.13 C ATOM 490 CD1 LEU A 30 -6.084 -1.126 -3.799 1.00 51.12 C ATOM 491 CD2 LEU A 30 -5.631 -2.529 -5.826 1.00 1.53 C ATOM 0 H LEU A 30 -8.501 -4.721 -4.007 1.00 34.04 H new ATOM 0 HA LEU A 30 -5.840 -5.085 -5.194 1.00 10.23 H new ATOM 0 HB2 LEU A 30 -6.796 -3.543 -2.745 1.00 73.53 H new ATOM 0 HB3 LEU A 30 -5.134 -3.597 -3.296 1.00 73.53 H new ATOM 0 HG LEU A 30 -7.488 -2.392 -4.783 1.00 11.13 H new ATOM 0 HD11 LEU A 30 -6.274 -0.275 -4.453 1.00 51.12 H new ATOM 0 HD12 LEU A 30 -6.700 -1.040 -2.904 1.00 51.12 H new ATOM 0 HD13 LEU A 30 -5.032 -1.138 -3.515 1.00 51.12 H new ATOM 0 HD21 LEU A 30 -5.827 -1.658 -6.452 1.00 1.53 H new ATOM 0 HD22 LEU A 30 -4.567 -2.578 -5.595 1.00 1.53 H new ATOM 0 HD23 LEU A 30 -5.929 -3.432 -6.358 1.00 1.53 H new ATOM 503 N LYS A 31 -4.698 -6.261 -3.157 1.00 64.34 N ATOM 504 CA LYS A 31 -4.137 -7.266 -2.249 1.00 5.32 C ATOM 505 C LYS A 31 -3.129 -6.641 -1.269 1.00 54.51 C ATOM 506 O LYS A 31 -1.972 -6.418 -1.614 1.00 42.41 O ATOM 507 CB LYS A 31 -3.465 -8.386 -3.061 1.00 12.24 C ATOM 508 CG LYS A 31 -2.582 -9.318 -2.233 1.00 20.01 C ATOM 509 CD LYS A 31 -1.930 -10.397 -3.095 1.00 14.31 C ATOM 510 CE LYS A 31 -0.787 -11.094 -2.362 1.00 41.31 C ATOM 511 NZ LYS A 31 -1.233 -11.738 -1.098 1.00 4.11 N ATOM 0 H LYS A 31 -3.998 -5.709 -3.652 1.00 64.34 H new ATOM 0 HA LYS A 31 -4.954 -7.685 -1.661 1.00 5.32 H new ATOM 0 HB2 LYS A 31 -4.238 -8.977 -3.552 1.00 12.24 H new ATOM 0 HB3 LYS A 31 -2.860 -7.936 -3.848 1.00 12.24 H new ATOM 0 HG2 LYS A 31 -1.808 -8.736 -1.733 1.00 20.01 H new ATOM 0 HG3 LYS A 31 -3.181 -9.789 -1.453 1.00 20.01 H new ATOM 0 HD2 LYS A 31 -2.680 -11.134 -3.384 1.00 14.31 H new ATOM 0 HD3 LYS A 31 -1.553 -9.949 -4.014 1.00 14.31 H new ATOM 0 HE2 LYS A 31 -0.347 -11.848 -3.015 1.00 41.31 H new ATOM 0 HE3 LYS A 31 -0.005 -10.368 -2.140 1.00 41.31 H new ATOM 0 HZ1 LYS A 31 -0.403 -11.988 -0.524 1.00 4.11 H new ATOM 0 HZ2 LYS A 31 -1.836 -11.078 -0.566 1.00 4.11 H new ATOM 0 HZ3 LYS A 31 -1.773 -12.599 -1.319 1.00 4.11 H new ATOM 525 N TYR A 32 -3.589 -6.338 -0.057 1.00 63.42 N ATOM 526 CA TYR A 32 -2.703 -5.862 1.017 1.00 53.11 C ATOM 527 C TYR A 32 -2.260 -7.025 1.917 1.00 43.42 C ATOM 528 O TYR A 32 -3.099 -7.737 2.474 1.00 62.13 O ATOM 529 CB TYR A 32 -3.412 -4.813 1.890 1.00 74.54 C ATOM 530 CG TYR A 32 -3.570 -3.440 1.262 1.00 53.04 C ATOM 531 CD1 TYR A 32 -4.691 -3.118 0.501 1.00 10.21 C ATOM 532 CD2 TYR A 32 -2.605 -2.454 1.456 1.00 4.55 C ATOM 533 CE1 TYR A 32 -4.842 -1.860 -0.048 1.00 14.33 C ATOM 534 CE2 TYR A 32 -2.755 -1.193 0.914 1.00 44.31 C ATOM 535 CZ TYR A 32 -3.872 -0.903 0.162 1.00 62.34 C ATOM 536 OH TYR A 32 -4.023 0.353 -0.375 1.00 32.22 O ATOM 0 H TYR A 32 -4.570 -6.412 0.212 1.00 63.42 H new ATOM 0 HA TYR A 32 -1.831 -5.413 0.540 1.00 53.11 H new ATOM 0 HB2 TYR A 32 -4.401 -5.190 2.150 1.00 74.54 H new ATOM 0 HB3 TYR A 32 -2.857 -4.706 2.822 1.00 74.54 H new ATOM 0 HD1 TYR A 32 -5.454 -3.864 0.338 1.00 10.21 H new ATOM 0 HD2 TYR A 32 -1.725 -2.680 2.040 1.00 4.55 H new ATOM 0 HE1 TYR A 32 -5.715 -1.627 -0.639 1.00 14.33 H new ATOM 0 HE2 TYR A 32 -2.001 -0.438 1.079 1.00 44.31 H new ATOM 0 HH TYR A 32 -4.842 0.762 -0.025 1.00 32.22 H new ATOM 546 N GLU A 33 -0.950 -7.220 2.065 1.00 62.22 N ATOM 547 CA GLU A 33 -0.428 -8.213 3.014 1.00 3.53 C ATOM 548 C GLU A 33 0.737 -7.647 3.839 1.00 2.13 C ATOM 549 O GLU A 33 1.293 -6.592 3.524 1.00 20.53 O ATOM 550 CB GLU A 33 0.023 -9.497 2.297 1.00 31.15 C ATOM 551 CG GLU A 33 1.281 -9.343 1.445 1.00 71.03 C ATOM 552 CD GLU A 33 1.841 -10.682 0.984 1.00 64.15 C ATOM 553 OE1 GLU A 33 1.380 -11.207 -0.054 1.00 31.32 O ATOM 554 OE2 GLU A 33 2.725 -11.229 1.675 1.00 21.43 O ATOM 0 H GLU A 33 -0.234 -6.711 1.547 1.00 62.22 H new ATOM 0 HA GLU A 33 -1.247 -8.459 3.690 1.00 3.53 H new ATOM 0 HB2 GLU A 33 0.199 -10.271 3.044 1.00 31.15 H new ATOM 0 HB3 GLU A 33 -0.790 -9.846 1.661 1.00 31.15 H new ATOM 0 HG2 GLU A 33 1.053 -8.729 0.574 1.00 71.03 H new ATOM 0 HG3 GLU A 33 2.041 -8.813 2.018 1.00 71.03 H new ATOM 561 N LEU A 34 1.094 -8.365 4.893 1.00 51.03 N ATOM 562 CA LEU A 34 2.166 -7.952 5.805 1.00 62.24 C ATOM 563 C LEU A 34 3.511 -8.571 5.403 1.00 42.03 C ATOM 564 O LEU A 34 3.605 -9.776 5.148 1.00 52.15 O ATOM 565 CB LEU A 34 1.812 -8.366 7.240 1.00 23.21 C ATOM 566 CG LEU A 34 2.891 -8.091 8.305 1.00 54.32 C ATOM 567 CD1 LEU A 34 3.069 -6.593 8.542 1.00 54.54 C ATOM 568 CD2 LEU A 34 2.545 -8.809 9.602 1.00 71.23 C ATOM 0 H LEU A 34 0.654 -9.250 5.146 1.00 51.03 H new ATOM 0 HA LEU A 34 2.262 -6.868 5.747 1.00 62.24 H new ATOM 0 HB2 LEU A 34 0.899 -7.847 7.533 1.00 23.21 H new ATOM 0 HB3 LEU A 34 1.588 -9.433 7.245 1.00 23.21 H new ATOM 0 HG LEU A 34 3.840 -8.478 7.935 1.00 54.32 H new ATOM 0 HD11 LEU A 34 3.837 -6.433 9.299 1.00 54.54 H new ATOM 0 HD12 LEU A 34 3.370 -6.111 7.612 1.00 54.54 H new ATOM 0 HD13 LEU A 34 2.127 -6.164 8.885 1.00 54.54 H new ATOM 0 HD21 LEU A 34 3.315 -8.607 10.346 1.00 71.23 H new ATOM 0 HD22 LEU A 34 1.583 -8.453 9.969 1.00 71.23 H new ATOM 0 HD23 LEU A 34 2.489 -9.882 9.420 1.00 71.23 H new ATOM 580 N ILE A 35 4.552 -7.743 5.350 1.00 73.32 N ATOM 581 CA ILE A 35 5.903 -8.214 5.029 1.00 33.05 C ATOM 582 C ILE A 35 6.750 -8.404 6.299 1.00 20.21 C ATOM 583 O ILE A 35 7.495 -9.377 6.414 1.00 63.23 O ATOM 584 CB ILE A 35 6.626 -7.238 4.059 1.00 43.30 C ATOM 585 CG1 ILE A 35 5.815 -7.067 2.761 1.00 11.32 C ATOM 586 CG2 ILE A 35 8.041 -7.725 3.748 1.00 14.13 C ATOM 587 CD1 ILE A 35 5.596 -8.358 1.997 1.00 51.14 C ATOM 0 H ILE A 35 4.488 -6.740 5.525 1.00 73.32 H new ATOM 0 HA ILE A 35 5.793 -9.180 4.537 1.00 33.05 H new ATOM 0 HB ILE A 35 6.703 -6.268 4.549 1.00 43.30 H new ATOM 0 HG12 ILE A 35 4.846 -6.632 3.005 1.00 11.32 H new ATOM 0 HG13 ILE A 35 6.330 -6.357 2.114 1.00 11.32 H new ATOM 0 HG21 ILE A 35 8.525 -7.025 3.067 1.00 14.13 H new ATOM 0 HG22 ILE A 35 8.615 -7.789 4.672 1.00 14.13 H new ATOM 0 HG23 ILE A 35 7.993 -8.709 3.282 1.00 14.13 H new ATOM 0 HD11 ILE A 35 5.017 -8.154 1.096 1.00 51.14 H new ATOM 0 HD12 ILE A 35 6.560 -8.785 1.720 1.00 51.14 H new ATOM 0 HD13 ILE A 35 5.053 -9.065 2.625 1.00 51.14 H new ATOM 599 N SER A 36 6.636 -7.472 7.249 1.00 54.12 N ATOM 600 CA SER A 36 7.406 -7.550 8.506 1.00 20.15 C ATOM 601 C SER A 36 6.826 -6.630 9.592 1.00 73.21 C ATOM 602 O SER A 36 6.341 -5.539 9.295 1.00 2.45 O ATOM 603 CB SER A 36 8.871 -7.167 8.252 1.00 52.21 C ATOM 604 OG SER A 36 9.671 -7.385 9.407 1.00 41.32 O ATOM 0 H SER A 36 6.025 -6.659 7.179 1.00 54.12 H new ATOM 0 HA SER A 36 7.343 -8.579 8.860 1.00 20.15 H new ATOM 0 HB2 SER A 36 9.263 -7.752 7.420 1.00 52.21 H new ATOM 0 HB3 SER A 36 8.929 -6.119 7.960 1.00 52.21 H new ATOM 0 HG SER A 36 10.599 -7.134 9.215 1.00 41.32 H new ATOM 740 N PHE A 46 6.913 -1.145 10.776 1.00 62.11 N ATOM 741 CA PHE A 46 6.052 -2.117 10.098 1.00 44.43 C ATOM 742 C PHE A 46 6.139 -1.970 8.571 1.00 34.11 C ATOM 743 O PHE A 46 6.063 -0.861 8.039 1.00 13.32 O ATOM 744 CB PHE A 46 4.602 -1.943 10.564 1.00 14.34 C ATOM 745 CG PHE A 46 4.389 -2.293 12.016 1.00 75.32 C ATOM 746 CD1 PHE A 46 4.842 -1.454 13.025 1.00 23.11 C ATOM 747 CD2 PHE A 46 3.736 -3.463 12.370 1.00 42.24 C ATOM 748 CE1 PHE A 46 4.645 -1.776 14.354 1.00 41.11 C ATOM 749 CE2 PHE A 46 3.537 -3.790 13.697 1.00 15.44 C ATOM 750 CZ PHE A 46 3.990 -2.945 14.691 1.00 30.20 C ATOM 0 HA PHE A 46 6.398 -3.117 10.358 1.00 44.43 H new ATOM 0 HB2 PHE A 46 4.298 -0.909 10.399 1.00 14.34 H new ATOM 0 HB3 PHE A 46 3.954 -2.568 9.949 1.00 14.34 H new ATOM 0 HD1 PHE A 46 5.354 -0.539 12.768 1.00 23.11 H new ATOM 0 HD2 PHE A 46 3.378 -4.128 11.598 1.00 42.24 H new ATOM 0 HE1 PHE A 46 5.003 -1.114 15.129 1.00 41.11 H new ATOM 0 HE2 PHE A 46 3.027 -4.706 13.957 1.00 15.44 H new ATOM 0 HZ PHE A 46 3.833 -3.197 15.729 1.00 30.20 H new ATOM 760 N VAL A 47 6.302 -3.100 7.879 1.00 54.23 N ATOM 761 CA VAL A 47 6.415 -3.119 6.412 1.00 1.20 C ATOM 762 C VAL A 47 5.230 -3.863 5.773 1.00 14.21 C ATOM 763 O VAL A 47 5.035 -5.060 6.011 1.00 54.44 O ATOM 764 CB VAL A 47 7.732 -3.803 5.952 1.00 41.32 C ATOM 765 CG1 VAL A 47 7.934 -3.637 4.445 1.00 52.53 C ATOM 766 CG2 VAL A 47 8.930 -3.263 6.729 1.00 0.41 C ATOM 0 H VAL A 47 6.359 -4.022 8.312 1.00 54.23 H new ATOM 0 HA VAL A 47 6.414 -2.079 6.086 1.00 1.20 H new ATOM 0 HB VAL A 47 7.650 -4.869 6.165 1.00 41.32 H new ATOM 0 HG11 VAL A 47 8.862 -4.124 4.147 1.00 52.53 H new ATOM 0 HG12 VAL A 47 7.098 -4.092 3.914 1.00 52.53 H new ATOM 0 HG13 VAL A 47 7.986 -2.576 4.199 1.00 52.53 H new ATOM 0 HG21 VAL A 47 9.839 -3.759 6.387 1.00 0.41 H new ATOM 0 HG22 VAL A 47 9.018 -2.189 6.563 1.00 0.41 H new ATOM 0 HG23 VAL A 47 8.790 -3.455 7.793 1.00 0.41 H new ATOM 776 N MET A 48 4.452 -3.153 4.956 1.00 0.41 N ATOM 777 CA MET A 48 3.299 -3.740 4.259 1.00 62.12 C ATOM 778 C MET A 48 3.493 -3.675 2.733 1.00 74.22 C ATOM 779 O MET A 48 4.233 -2.826 2.232 1.00 51.01 O ATOM 780 CB MET A 48 2.014 -2.992 4.648 1.00 65.33 C ATOM 781 CG MET A 48 1.723 -3.001 6.145 1.00 32.24 C ATOM 782 SD MET A 48 1.292 -4.638 6.772 1.00 12.54 S ATOM 783 CE MET A 48 -0.292 -4.912 5.980 1.00 71.00 C ATOM 0 H MET A 48 4.598 -2.163 4.757 1.00 0.41 H new ATOM 0 HA MET A 48 3.215 -4.785 4.556 1.00 62.12 H new ATOM 0 HB2 MET A 48 2.090 -1.959 4.309 1.00 65.33 H new ATOM 0 HB3 MET A 48 1.171 -3.439 4.121 1.00 65.33 H new ATOM 0 HG2 MET A 48 2.597 -2.631 6.681 1.00 32.24 H new ATOM 0 HG3 MET A 48 0.905 -2.311 6.354 1.00 32.24 H new ATOM 0 HE1 MET A 48 -0.787 -5.766 6.443 1.00 71.00 H new ATOM 0 HE2 MET A 48 -0.915 -4.025 6.095 1.00 71.00 H new ATOM 0 HE3 MET A 48 -0.139 -5.113 4.920 1.00 71.00 H new ATOM 793 N GLU A 49 2.829 -4.569 2.002 1.00 3.22 N ATOM 794 CA GLU A 49 2.898 -4.581 0.531 1.00 1.12 C ATOM 795 C GLU A 49 1.500 -4.736 -0.088 1.00 52.10 C ATOM 796 O GLU A 49 0.637 -5.427 0.459 1.00 0.34 O ATOM 797 CB GLU A 49 3.818 -5.711 0.049 1.00 53.10 C ATOM 798 CG GLU A 49 3.989 -5.768 -1.469 1.00 64.41 C ATOM 799 CD GLU A 49 5.012 -6.799 -1.915 1.00 50.23 C ATOM 800 OE1 GLU A 49 4.712 -8.009 -1.855 1.00 3.12 O ATOM 801 OE2 GLU A 49 6.127 -6.409 -2.328 1.00 0.33 O ATOM 0 H GLU A 49 2.235 -5.297 2.399 1.00 3.22 H new ATOM 0 HA GLU A 49 3.310 -3.626 0.206 1.00 1.12 H new ATOM 0 HB2 GLU A 49 4.798 -5.590 0.511 1.00 53.10 H new ATOM 0 HB3 GLU A 49 3.418 -6.664 0.395 1.00 53.10 H new ATOM 0 HG2 GLU A 49 3.027 -5.997 -1.929 1.00 64.41 H new ATOM 0 HG3 GLU A 49 4.290 -4.785 -1.832 1.00 64.41 H new ATOM 808 N VAL A 50 1.279 -4.089 -1.230 1.00 35.03 N ATOM 809 CA VAL A 50 -0.024 -4.131 -1.901 1.00 62.44 C ATOM 810 C VAL A 50 0.102 -4.393 -3.411 1.00 12.14 C ATOM 811 O VAL A 50 0.939 -3.800 -4.092 1.00 5.43 O ATOM 812 CB VAL A 50 -0.813 -2.814 -1.676 1.00 54.01 C ATOM 813 CG1 VAL A 50 -0.020 -1.604 -2.170 1.00 2.02 C ATOM 814 CG2 VAL A 50 -2.183 -2.881 -2.354 1.00 21.14 C ATOM 0 H VAL A 50 1.982 -3.529 -1.712 1.00 35.03 H new ATOM 0 HA VAL A 50 -0.568 -4.963 -1.454 1.00 62.44 H new ATOM 0 HB VAL A 50 -0.968 -2.695 -0.604 1.00 54.01 H new ATOM 0 HG11 VAL A 50 -0.598 -0.696 -1.999 1.00 2.02 H new ATOM 0 HG12 VAL A 50 0.923 -1.541 -1.628 1.00 2.02 H new ATOM 0 HG13 VAL A 50 0.181 -1.711 -3.236 1.00 2.02 H new ATOM 0 HG21 VAL A 50 -2.719 -1.947 -2.184 1.00 21.14 H new ATOM 0 HG22 VAL A 50 -2.052 -3.034 -3.425 1.00 21.14 H new ATOM 0 HG23 VAL A 50 -2.755 -3.710 -1.937 1.00 21.14 H new ATOM 824 N GLU A 51 -0.729 -5.300 -3.923 1.00 43.51 N ATOM 825 CA GLU A 51 -0.834 -5.525 -5.368 1.00 52.14 C ATOM 826 C GLU A 51 -1.865 -4.576 -5.993 1.00 21.34 C ATOM 827 O GLU A 51 -3.073 -4.739 -5.804 1.00 72.10 O ATOM 828 CB GLU A 51 -1.223 -6.980 -5.675 1.00 75.02 C ATOM 829 CG GLU A 51 -1.493 -7.234 -7.160 1.00 25.14 C ATOM 830 CD GLU A 51 -1.935 -8.658 -7.460 1.00 62.10 C ATOM 831 OE1 GLU A 51 -3.080 -9.017 -7.117 1.00 55.34 O ATOM 832 OE2 GLU A 51 -1.143 -9.420 -8.053 1.00 44.23 O ATOM 0 H GLU A 51 -1.340 -5.892 -3.360 1.00 43.51 H new ATOM 0 HA GLU A 51 0.145 -5.325 -5.802 1.00 52.14 H new ATOM 0 HB2 GLU A 51 -0.424 -7.641 -5.340 1.00 75.02 H new ATOM 0 HB3 GLU A 51 -2.113 -7.240 -5.101 1.00 75.02 H new ATOM 0 HG2 GLU A 51 -2.262 -6.543 -7.505 1.00 25.14 H new ATOM 0 HG3 GLU A 51 -0.589 -7.015 -7.728 1.00 25.14 H new ATOM 839 N VAL A 52 -1.383 -3.576 -6.722 1.00 34.32 N ATOM 840 CA VAL A 52 -2.253 -2.644 -7.439 1.00 62.34 C ATOM 841 C VAL A 52 -2.054 -2.775 -8.951 1.00 15.32 C ATOM 842 O VAL A 52 -0.942 -2.599 -9.454 1.00 63.35 O ATOM 843 CB VAL A 52 -1.981 -1.181 -7.019 1.00 72.23 C ATOM 844 CG1 VAL A 52 -2.976 -0.228 -7.687 1.00 70.52 C ATOM 845 CG2 VAL A 52 -2.023 -1.051 -5.500 1.00 60.31 C ATOM 0 H VAL A 52 -0.387 -3.387 -6.834 1.00 34.32 H new ATOM 0 HA VAL A 52 -3.281 -2.899 -7.181 1.00 62.34 H new ATOM 0 HB VAL A 52 -0.983 -0.902 -7.356 1.00 72.23 H new ATOM 0 HG11 VAL A 52 -2.765 0.795 -7.376 1.00 70.52 H new ATOM 0 HG12 VAL A 52 -2.882 -0.305 -8.770 1.00 70.52 H new ATOM 0 HG13 VAL A 52 -3.990 -0.495 -7.391 1.00 70.52 H new ATOM 0 HG21 VAL A 52 -1.830 -0.016 -5.218 1.00 60.31 H new ATOM 0 HG22 VAL A 52 -3.006 -1.349 -5.136 1.00 60.31 H new ATOM 0 HG23 VAL A 52 -1.263 -1.695 -5.059 1.00 60.31 H new ATOM 855 N ASP A 53 -3.128 -3.104 -9.669 1.00 53.11 N ATOM 856 CA ASP A 53 -3.072 -3.261 -11.128 1.00 11.35 C ATOM 857 C ASP A 53 -2.099 -4.396 -11.521 1.00 42.44 C ATOM 858 O ASP A 53 -1.582 -4.442 -12.638 1.00 3.41 O ATOM 859 CB ASP A 53 -2.661 -1.924 -11.766 1.00 33.11 C ATOM 860 CG ASP A 53 -2.988 -1.854 -13.242 1.00 43.31 C ATOM 861 OD1 ASP A 53 -4.187 -1.810 -13.580 1.00 22.24 O ATOM 862 OD2 ASP A 53 -2.059 -1.833 -14.073 1.00 1.31 O ATOM 0 H ASP A 53 -4.050 -3.268 -9.266 1.00 53.11 H new ATOM 0 HA ASP A 53 -4.058 -3.539 -11.500 1.00 11.35 H new ATOM 0 HB2 ASP A 53 -3.166 -1.109 -11.248 1.00 33.11 H new ATOM 0 HB3 ASP A 53 -1.590 -1.775 -11.628 1.00 33.11 H new ATOM 867 N GLY A 54 -1.877 -5.323 -10.586 1.00 63.24 N ATOM 868 CA GLY A 54 -0.941 -6.426 -10.807 1.00 13.33 C ATOM 869 C GLY A 54 0.452 -6.169 -10.226 1.00 4.21 C ATOM 870 O GLY A 54 1.203 -7.107 -9.958 1.00 24.51 O ATOM 0 H GLY A 54 -2.331 -5.331 -9.673 1.00 63.24 H new ATOM 0 HA2 GLY A 54 -1.350 -7.334 -10.363 1.00 13.33 H new ATOM 0 HA3 GLY A 54 -0.852 -6.608 -11.878 1.00 13.33 H new ATOM 874 N GLN A 55 0.783 -4.896 -10.012 1.00 11.35 N ATOM 875 CA GLN A 55 2.119 -4.489 -9.550 1.00 52.04 C ATOM 876 C GLN A 55 2.171 -4.364 -8.016 1.00 25.44 C ATOM 877 O GLN A 55 1.277 -3.784 -7.403 1.00 23.31 O ATOM 878 CB GLN A 55 2.480 -3.151 -10.209 1.00 35.20 C ATOM 879 CG GLN A 55 2.491 -3.216 -11.734 1.00 11.24 C ATOM 880 CD GLN A 55 2.334 -1.855 -12.391 1.00 2.23 C ATOM 881 OE1 GLN A 55 1.101 -1.470 -12.663 1.00 2.34 O flip ATOM 882 NE2 GLN A 55 3.306 -1.159 -12.662 1.00 55.35 N flip ATOM 0 H GLN A 55 0.139 -4.117 -10.152 1.00 11.35 H new ATOM 0 HA GLN A 55 2.841 -5.254 -9.836 1.00 52.04 H new ATOM 0 HB2 GLN A 55 1.766 -2.392 -9.889 1.00 35.20 H new ATOM 0 HB3 GLN A 55 3.462 -2.834 -9.858 1.00 35.20 H new ATOM 0 HG2 GLN A 55 3.426 -3.667 -12.065 1.00 11.24 H new ATOM 0 HG3 GLN A 55 1.686 -3.870 -12.069 1.00 11.24 H new ATOM 0 HE21 GLN A 55 4.246 -1.486 -12.438 1.00 55.35 H new ATOM 0 HE22 GLN A 55 3.175 -0.253 -13.111 1.00 55.35 H new ATOM 891 N LYS A 56 3.220 -4.909 -7.398 1.00 1.42 N ATOM 892 CA LYS A 56 3.346 -4.903 -5.930 1.00 11.34 C ATOM 893 C LYS A 56 4.204 -3.724 -5.426 1.00 12.24 C ATOM 894 O LYS A 56 5.371 -3.584 -5.800 1.00 62.14 O ATOM 895 CB LYS A 56 3.948 -6.230 -5.429 1.00 51.54 C ATOM 896 CG LYS A 56 3.026 -7.444 -5.566 1.00 2.25 C ATOM 897 CD LYS A 56 2.807 -7.852 -7.021 1.00 14.42 C ATOM 898 CE LYS A 56 1.883 -9.059 -7.134 1.00 1.22 C ATOM 899 NZ LYS A 56 1.633 -9.436 -8.549 1.00 15.41 N ATOM 0 H LYS A 56 3.995 -5.360 -7.884 1.00 1.42 H new ATOM 0 HA LYS A 56 2.340 -4.785 -5.528 1.00 11.34 H new ATOM 0 HB2 LYS A 56 4.868 -6.426 -5.979 1.00 51.54 H new ATOM 0 HB3 LYS A 56 4.222 -6.116 -4.380 1.00 51.54 H new ATOM 0 HG2 LYS A 56 3.452 -8.284 -5.017 1.00 2.25 H new ATOM 0 HG3 LYS A 56 2.064 -7.219 -5.107 1.00 2.25 H new ATOM 0 HD2 LYS A 56 2.381 -7.015 -7.574 1.00 14.42 H new ATOM 0 HD3 LYS A 56 3.767 -8.084 -7.483 1.00 14.42 H new ATOM 0 HE2 LYS A 56 2.324 -9.904 -6.606 1.00 1.22 H new ATOM 0 HE3 LYS A 56 0.935 -8.837 -6.645 1.00 1.22 H new ATOM 0 HZ1 LYS A 56 0.658 -9.785 -8.648 1.00 15.41 H new ATOM 0 HZ2 LYS A 56 1.767 -8.604 -9.159 1.00 15.41 H new ATOM 0 HZ3 LYS A 56 2.299 -10.183 -8.832 1.00 15.41 H new ATOM 913 N PHE A 57 3.619 -2.887 -4.565 1.00 62.54 N ATOM 914 CA PHE A 57 4.327 -1.742 -3.967 1.00 11.33 C ATOM 915 C PHE A 57 4.431 -1.890 -2.437 1.00 45.04 C ATOM 916 O PHE A 57 3.456 -2.252 -1.776 1.00 40.35 O ATOM 917 CB PHE A 57 3.597 -0.433 -4.314 1.00 51.32 C ATOM 918 CG PHE A 57 3.467 -0.181 -5.797 1.00 0.23 C ATOM 919 CD1 PHE A 57 4.483 0.453 -6.497 1.00 44.21 C ATOM 920 CD2 PHE A 57 2.331 -0.579 -6.490 1.00 31.34 C ATOM 921 CE1 PHE A 57 4.371 0.688 -7.853 1.00 61.15 C ATOM 922 CE2 PHE A 57 2.213 -0.346 -7.849 1.00 72.51 C ATOM 923 CZ PHE A 57 3.236 0.287 -8.530 1.00 32.42 C ATOM 0 H PHE A 57 2.649 -2.979 -4.262 1.00 62.54 H new ATOM 0 HA PHE A 57 5.336 -1.716 -4.378 1.00 11.33 H new ATOM 0 HB2 PHE A 57 2.602 -0.455 -3.870 1.00 51.32 H new ATOM 0 HB3 PHE A 57 4.131 0.401 -3.859 1.00 51.32 H new ATOM 0 HD1 PHE A 57 5.374 0.767 -5.974 1.00 44.21 H new ATOM 0 HD2 PHE A 57 1.531 -1.076 -5.962 1.00 31.34 H new ATOM 0 HE1 PHE A 57 5.170 1.185 -8.384 1.00 61.15 H new ATOM 0 HE2 PHE A 57 1.324 -0.658 -8.376 1.00 72.51 H new ATOM 0 HZ PHE A 57 3.148 0.468 -9.591 1.00 32.42 H new ATOM 933 N GLN A 58 5.611 -1.615 -1.879 1.00 11.21 N ATOM 934 CA GLN A 58 5.825 -1.721 -0.425 1.00 23.55 C ATOM 935 C GLN A 58 5.896 -0.350 0.262 1.00 3.24 C ATOM 936 O GLN A 58 6.303 0.649 -0.333 1.00 62.22 O ATOM 937 CB GLN A 58 7.107 -2.513 -0.120 1.00 42.32 C ATOM 938 CG GLN A 58 6.942 -4.020 -0.250 1.00 64.44 C ATOM 939 CD GLN A 58 8.190 -4.792 0.142 1.00 53.24 C ATOM 940 OE1 GLN A 58 8.988 -4.341 0.958 1.00 73.24 O ATOM 941 NE2 GLN A 58 8.351 -5.973 -0.415 1.00 14.53 N ATOM 0 H GLN A 58 6.433 -1.318 -2.405 1.00 11.21 H new ATOM 0 HA GLN A 58 4.961 -2.250 -0.024 1.00 23.55 H new ATOM 0 HB2 GLN A 58 7.896 -2.183 -0.796 1.00 42.32 H new ATOM 0 HB3 GLN A 58 7.436 -2.279 0.892 1.00 42.32 H new ATOM 0 HG2 GLN A 58 6.110 -4.344 0.376 1.00 64.44 H new ATOM 0 HG3 GLN A 58 6.680 -4.263 -1.280 1.00 64.44 H new ATOM 0 HE21 GLN A 58 7.667 -6.316 -1.090 1.00 14.53 H new ATOM 0 HE22 GLN A 58 9.160 -6.545 -0.172 1.00 14.53 H new ATOM 950 N GLY A 59 5.500 -0.329 1.530 1.00 1.42 N ATOM 951 CA GLY A 59 5.588 0.878 2.342 1.00 11.13 C ATOM 952 C GLY A 59 5.849 0.567 3.814 1.00 13.01 C ATOM 953 O GLY A 59 5.279 -0.377 4.366 1.00 35.05 O ATOM 0 H GLY A 59 5.114 -1.137 2.018 1.00 1.42 H new ATOM 0 HA2 GLY A 59 6.387 1.513 1.960 1.00 11.13 H new ATOM 0 HA3 GLY A 59 4.660 1.443 2.251 1.00 11.13 H new ATOM 957 N ALA A 60 6.709 1.355 4.454 1.00 21.51 N ATOM 958 CA ALA A 60 7.057 1.144 5.865 1.00 75.50 C ATOM 959 C ALA A 60 6.615 2.333 6.730 1.00 31.21 C ATOM 960 O ALA A 60 6.783 3.488 6.342 1.00 42.44 O ATOM 961 CB ALA A 60 8.559 0.906 6.010 1.00 44.40 C ATOM 0 H ALA A 60 7.181 2.149 4.021 1.00 21.51 H new ATOM 0 HA ALA A 60 6.525 0.260 6.216 1.00 75.50 H new ATOM 0 HB1 ALA A 60 8.803 0.751 7.061 1.00 44.40 H new ATOM 0 HB2 ALA A 60 8.845 0.024 5.437 1.00 44.40 H new ATOM 0 HB3 ALA A 60 9.103 1.773 5.635 1.00 44.40 H new ATOM 967 N GLY A 61 6.056 2.048 7.904 1.00 51.53 N ATOM 968 CA GLY A 61 5.564 3.108 8.778 1.00 2.21 C ATOM 969 C GLY A 61 5.675 2.779 10.263 1.00 35.31 C ATOM 970 O GLY A 61 6.208 1.732 10.642 1.00 55.44 O ATOM 0 H GLY A 61 5.934 1.103 8.268 1.00 51.53 H new ATOM 0 HA2 GLY A 61 6.121 4.022 8.575 1.00 2.21 H new ATOM 0 HA3 GLY A 61 4.521 3.311 8.537 1.00 2.21 H new ATOM 974 N SER A 62 5.176 3.685 11.107 1.00 54.45 N ATOM 975 CA SER A 62 5.187 3.496 12.570 1.00 61.01 C ATOM 976 C SER A 62 4.241 2.365 13.012 1.00 53.02 C ATOM 977 O SER A 62 4.371 1.821 14.109 1.00 21.22 O ATOM 978 CB SER A 62 4.806 4.807 13.277 1.00 42.33 C ATOM 979 OG SER A 62 5.704 5.855 12.937 1.00 23.14 O ATOM 0 H SER A 62 4.756 4.564 10.805 1.00 54.45 H new ATOM 0 HA SER A 62 6.199 3.210 12.855 1.00 61.01 H new ATOM 0 HB2 SER A 62 3.791 5.091 13.000 1.00 42.33 H new ATOM 0 HB3 SER A 62 4.812 4.656 14.356 1.00 42.33 H new ATOM 0 HG SER A 62 5.437 6.677 13.399 1.00 23.14 H new ATOM 985 N ASN A 63 3.284 2.029 12.153 1.00 3.30 N ATOM 986 CA ASN A 63 2.369 0.906 12.385 1.00 34.21 C ATOM 987 C ASN A 63 1.814 0.398 11.044 1.00 75.24 C ATOM 988 O ASN A 63 2.034 1.024 10.004 1.00 75.42 O ATOM 989 CB ASN A 63 1.237 1.307 13.351 1.00 62.33 C ATOM 990 CG ASN A 63 0.380 2.446 12.833 1.00 51.33 C ATOM 991 OD1 ASN A 63 0.134 2.565 11.643 1.00 33.41 O ATOM 992 ND2 ASN A 63 -0.080 3.296 13.724 1.00 74.23 N ATOM 0 H ASN A 63 3.117 2.524 11.277 1.00 3.30 H new ATOM 0 HA ASN A 63 2.921 0.093 12.857 1.00 34.21 H new ATOM 0 HB2 ASN A 63 0.603 0.440 13.536 1.00 62.33 H new ATOM 0 HB3 ASN A 63 1.671 1.595 14.309 1.00 62.33 H new ATOM 0 HD21 ASN A 63 -0.660 4.081 13.428 1.00 74.23 H new ATOM 0 HD22 ASN A 63 0.143 3.170 14.711 1.00 74.23 H new ATOM 999 N LYS A 64 1.099 -0.727 11.061 1.00 3.24 N ATOM 1000 CA LYS A 64 0.584 -1.337 9.821 1.00 3.40 C ATOM 1001 C LYS A 64 -0.329 -0.383 9.030 1.00 1.01 C ATOM 1002 O LYS A 64 -0.426 -0.479 7.809 1.00 40.25 O ATOM 1003 CB LYS A 64 -0.157 -2.643 10.139 1.00 0.34 C ATOM 1004 CG LYS A 64 0.753 -3.726 10.707 1.00 64.15 C ATOM 1005 CD LYS A 64 0.005 -5.026 10.988 1.00 41.43 C ATOM 1006 CE LYS A 64 0.934 -6.087 11.565 1.00 4.40 C ATOM 1007 NZ LYS A 64 0.224 -7.359 11.862 1.00 71.42 N ATOM 0 H LYS A 64 0.861 -1.237 11.912 1.00 3.24 H new ATOM 0 HA LYS A 64 1.445 -1.553 9.188 1.00 3.40 H new ATOM 0 HB2 LYS A 64 -0.954 -2.436 10.853 1.00 0.34 H new ATOM 0 HB3 LYS A 64 -0.631 -3.015 9.231 1.00 0.34 H new ATOM 0 HG2 LYS A 64 1.563 -3.921 10.005 1.00 64.15 H new ATOM 0 HG3 LYS A 64 1.210 -3.366 11.629 1.00 64.15 H new ATOM 0 HD2 LYS A 64 -0.810 -4.835 11.686 1.00 41.43 H new ATOM 0 HD3 LYS A 64 -0.444 -5.396 10.066 1.00 41.43 H new ATOM 0 HE2 LYS A 64 1.742 -6.281 10.860 1.00 4.40 H new ATOM 0 HE3 LYS A 64 1.392 -5.708 12.478 1.00 4.40 H new ATOM 0 HZ1 LYS A 64 0.897 -8.049 12.252 1.00 71.42 H new ATOM 0 HZ2 LYS A 64 -0.531 -7.182 12.555 1.00 71.42 H new ATOM 0 HZ3 LYS A 64 -0.191 -7.737 10.987 1.00 71.42 H new ATOM 1021 N LYS A 65 -0.977 0.547 9.728 1.00 71.44 N ATOM 1022 CA LYS A 65 -1.865 1.529 9.086 1.00 63.41 C ATOM 1023 C LYS A 65 -1.040 2.541 8.273 1.00 1.41 C ATOM 1024 O LYS A 65 -1.270 2.742 7.079 1.00 54.22 O ATOM 1025 CB LYS A 65 -2.718 2.269 10.138 1.00 42.34 C ATOM 1026 CG LYS A 65 -3.724 1.389 10.889 1.00 73.41 C ATOM 1027 CD LYS A 65 -3.043 0.324 11.747 1.00 31.34 C ATOM 1028 CE LYS A 65 -4.044 -0.453 12.593 1.00 61.45 C ATOM 1029 NZ LYS A 65 -4.690 0.412 13.616 1.00 24.43 N ATOM 0 H LYS A 65 -0.907 0.646 10.741 1.00 71.44 H new ATOM 0 HA LYS A 65 -2.535 0.993 8.414 1.00 63.41 H new ATOM 0 HB2 LYS A 65 -2.051 2.733 10.864 1.00 42.34 H new ATOM 0 HB3 LYS A 65 -3.261 3.074 9.643 1.00 42.34 H new ATOM 0 HG2 LYS A 65 -4.349 2.017 11.524 1.00 73.41 H new ATOM 0 HG3 LYS A 65 -4.385 0.904 10.171 1.00 73.41 H new ATOM 0 HD2 LYS A 65 -2.499 -0.367 11.103 1.00 31.34 H new ATOM 0 HD3 LYS A 65 -2.309 0.798 12.398 1.00 31.34 H new ATOM 0 HE2 LYS A 65 -4.808 -0.885 11.947 1.00 61.45 H new ATOM 0 HE3 LYS A 65 -3.537 -1.283 13.086 1.00 61.45 H new ATOM 0 HZ1 LYS A 65 -5.177 -0.183 14.317 1.00 24.43 H new ATOM 0 HZ2 LYS A 65 -3.966 0.986 14.093 1.00 24.43 H new ATOM 0 HZ3 LYS A 65 -5.380 1.039 13.155 1.00 24.43 H new ATOM 1043 N VAL A 66 -0.070 3.164 8.939 1.00 4.30 N ATOM 1044 CA VAL A 66 0.845 4.112 8.297 1.00 43.40 C ATOM 1045 C VAL A 66 1.670 3.426 7.195 1.00 11.31 C ATOM 1046 O VAL A 66 1.975 4.027 6.163 1.00 41.44 O ATOM 1047 CB VAL A 66 1.799 4.749 9.341 1.00 42.24 C ATOM 1048 CG1 VAL A 66 2.760 5.737 8.684 1.00 73.23 C ATOM 1049 CG2 VAL A 66 1.001 5.430 10.453 1.00 43.20 C ATOM 0 H VAL A 66 0.105 3.028 9.935 1.00 4.30 H new ATOM 0 HA VAL A 66 0.239 4.896 7.843 1.00 43.40 H new ATOM 0 HB VAL A 66 2.394 3.949 9.782 1.00 42.24 H new ATOM 0 HG11 VAL A 66 3.415 6.166 9.442 1.00 73.23 H new ATOM 0 HG12 VAL A 66 3.361 5.218 7.937 1.00 73.23 H new ATOM 0 HG13 VAL A 66 2.191 6.533 8.203 1.00 73.23 H new ATOM 0 HG21 VAL A 66 1.687 5.871 11.176 1.00 43.20 H new ATOM 0 HG22 VAL A 66 0.374 6.212 10.024 1.00 43.20 H new ATOM 0 HG23 VAL A 66 0.372 4.693 10.953 1.00 43.20 H new ATOM 1059 N ALA A 67 2.017 2.161 7.423 1.00 44.13 N ATOM 1060 CA ALA A 67 2.739 1.361 6.434 1.00 74.32 C ATOM 1061 C ALA A 67 1.884 1.135 5.178 1.00 20.22 C ATOM 1062 O ALA A 67 2.344 1.353 4.057 1.00 45.31 O ATOM 1063 CB ALA A 67 3.172 0.032 7.042 1.00 13.42 C ATOM 0 H ALA A 67 1.809 1.665 8.289 1.00 44.13 H new ATOM 0 HA ALA A 67 3.631 1.911 6.134 1.00 74.32 H new ATOM 0 HB1 ALA A 67 3.708 -0.553 6.294 1.00 13.42 H new ATOM 0 HB2 ALA A 67 3.825 0.218 7.894 1.00 13.42 H new ATOM 0 HB3 ALA A 67 2.293 -0.521 7.373 1.00 13.42 H new ATOM 1069 N LYS A 68 0.633 0.699 5.371 1.00 71.31 N ATOM 1070 CA LYS A 68 -0.326 0.583 4.260 1.00 32.23 C ATOM 1071 C LYS A 68 -0.529 1.931 3.556 1.00 23.11 C ATOM 1072 O LYS A 68 -0.702 1.983 2.342 1.00 53.41 O ATOM 1073 CB LYS A 68 -1.685 0.056 4.756 1.00 51.34 C ATOM 1074 CG LYS A 68 -1.681 -1.420 5.148 1.00 14.04 C ATOM 1075 CD LYS A 68 -3.043 -1.876 5.675 1.00 55.02 C ATOM 1076 CE LYS A 68 -4.162 -1.643 4.659 1.00 3.24 C ATOM 1077 NZ LYS A 68 -5.487 -2.094 5.162 1.00 32.43 N ATOM 0 H LYS A 68 0.261 0.422 6.279 1.00 71.31 H new ATOM 0 HA LYS A 68 0.094 -0.127 3.547 1.00 32.23 H new ATOM 0 HB2 LYS A 68 -1.999 0.648 5.616 1.00 51.34 H new ATOM 0 HB3 LYS A 68 -2.429 0.210 3.974 1.00 51.34 H new ATOM 0 HG2 LYS A 68 -1.406 -2.024 4.283 1.00 14.04 H new ATOM 0 HG3 LYS A 68 -0.921 -1.591 5.911 1.00 14.04 H new ATOM 0 HD2 LYS A 68 -2.997 -2.936 5.926 1.00 55.02 H new ATOM 0 HD3 LYS A 68 -3.273 -1.340 6.596 1.00 55.02 H new ATOM 0 HE2 LYS A 68 -4.211 -0.582 4.414 1.00 3.24 H new ATOM 0 HE3 LYS A 68 -3.927 -2.173 3.736 1.00 3.24 H new ATOM 0 HZ1 LYS A 68 -6.212 -1.915 4.438 1.00 32.43 H new ATOM 0 HZ2 LYS A 68 -5.451 -3.112 5.372 1.00 32.43 H new ATOM 0 HZ3 LYS A 68 -5.726 -1.571 6.028 1.00 32.43 H new ATOM 1091 N ALA A 69 -0.510 3.020 4.329 1.00 54.11 N ATOM 1092 CA ALA A 69 -0.639 4.372 3.774 1.00 75.52 C ATOM 1093 C ALA A 69 0.523 4.704 2.823 1.00 12.41 C ATOM 1094 O ALA A 69 0.309 5.214 1.723 1.00 11.33 O ATOM 1095 CB ALA A 69 -0.723 5.397 4.899 1.00 24.35 C ATOM 0 H ALA A 69 -0.406 2.993 5.343 1.00 54.11 H new ATOM 0 HA ALA A 69 -1.560 4.411 3.192 1.00 75.52 H new ATOM 0 HB1 ALA A 69 -0.818 6.396 4.474 1.00 24.35 H new ATOM 0 HB2 ALA A 69 -1.591 5.183 5.522 1.00 24.35 H new ATOM 0 HB3 ALA A 69 0.181 5.346 5.506 1.00 24.35 H new ATOM 1101 N TYR A 70 1.752 4.415 3.253 1.00 52.42 N ATOM 1102 CA TYR A 70 2.933 4.608 2.401 1.00 0.22 C ATOM 1103 C TYR A 70 2.906 3.676 1.179 1.00 15.42 C ATOM 1104 O TYR A 70 3.230 4.093 0.065 1.00 12.54 O ATOM 1105 CB TYR A 70 4.225 4.389 3.205 1.00 14.01 C ATOM 1106 CG TYR A 70 4.648 5.597 4.025 1.00 11.33 C ATOM 1107 CD1 TYR A 70 5.065 6.766 3.397 1.00 71.34 C ATOM 1108 CD2 TYR A 70 4.637 5.572 5.418 1.00 1.32 C ATOM 1109 CE1 TYR A 70 5.457 7.870 4.126 1.00 44.13 C ATOM 1110 CE2 TYR A 70 5.029 6.677 6.153 1.00 74.23 C ATOM 1111 CZ TYR A 70 5.439 7.822 5.502 1.00 30.31 C ATOM 1112 OH TYR A 70 5.834 8.925 6.231 1.00 21.11 O ATOM 0 H TYR A 70 1.958 4.048 4.182 1.00 52.42 H new ATOM 0 HA TYR A 70 2.911 5.637 2.041 1.00 0.22 H new ATOM 0 HB2 TYR A 70 4.087 3.538 3.873 1.00 14.01 H new ATOM 0 HB3 TYR A 70 5.030 4.128 2.518 1.00 14.01 H new ATOM 0 HD1 TYR A 70 5.082 6.810 2.318 1.00 71.34 H new ATOM 0 HD2 TYR A 70 4.318 4.677 5.932 1.00 1.32 H new ATOM 0 HE1 TYR A 70 5.777 8.768 3.619 1.00 44.13 H new ATOM 0 HE2 TYR A 70 5.014 6.643 7.232 1.00 74.23 H new ATOM 0 HH TYR A 70 5.762 8.728 7.188 1.00 21.11 H new ATOM 1122 N ALA A 71 2.517 2.422 1.392 1.00 70.34 N ATOM 1123 CA ALA A 71 2.388 1.456 0.294 1.00 15.23 C ATOM 1124 C ALA A 71 1.351 1.928 -0.735 1.00 1.02 C ATOM 1125 O ALA A 71 1.555 1.817 -1.945 1.00 33.44 O ATOM 1126 CB ALA A 71 2.017 0.083 0.842 1.00 44.41 C ATOM 0 H ALA A 71 2.285 2.047 2.312 1.00 70.34 H new ATOM 0 HA ALA A 71 3.350 1.381 -0.212 1.00 15.23 H new ATOM 0 HB1 ALA A 71 1.924 -0.625 0.018 1.00 44.41 H new ATOM 0 HB2 ALA A 71 2.794 -0.257 1.527 1.00 44.41 H new ATOM 0 HB3 ALA A 71 1.067 0.148 1.373 1.00 44.41 H new ATOM 1132 N ALA A 72 0.243 2.470 -0.238 1.00 23.32 N ATOM 1133 CA ALA A 72 -0.804 3.017 -1.096 1.00 51.42 C ATOM 1134 C ALA A 72 -0.314 4.257 -1.855 1.00 72.54 C ATOM 1135 O ALA A 72 -0.524 4.376 -3.061 1.00 71.34 O ATOM 1136 CB ALA A 72 -2.038 3.349 -0.269 1.00 24.05 C ATOM 0 H ALA A 72 0.046 2.542 0.760 1.00 23.32 H new ATOM 0 HA ALA A 72 -1.066 2.260 -1.835 1.00 51.42 H new ATOM 0 HB1 ALA A 72 -2.813 3.756 -0.919 1.00 24.05 H new ATOM 0 HB2 ALA A 72 -2.407 2.444 0.213 1.00 24.05 H new ATOM 0 HB3 ALA A 72 -1.779 4.085 0.492 1.00 24.05 H new ATOM 1142 N LEU A 73 0.346 5.174 -1.145 1.00 32.34 N ATOM 1143 CA LEU A 73 0.927 6.367 -1.774 1.00 33.42 C ATOM 1144 C LEU A 73 1.970 5.987 -2.839 1.00 54.41 C ATOM 1145 O LEU A 73 2.068 6.635 -3.878 1.00 44.03 O ATOM 1146 CB LEU A 73 1.554 7.295 -0.720 1.00 14.21 C ATOM 1147 CG LEU A 73 0.560 8.169 0.067 1.00 30.11 C ATOM 1148 CD1 LEU A 73 1.281 8.965 1.153 1.00 12.21 C ATOM 1149 CD2 LEU A 73 -0.195 9.107 -0.874 1.00 2.41 C ATOM 0 H LEU A 73 0.493 5.116 -0.137 1.00 32.34 H new ATOM 0 HA LEU A 73 0.117 6.902 -2.269 1.00 33.42 H new ATOM 0 HB2 LEU A 73 2.115 6.685 -0.012 1.00 14.21 H new ATOM 0 HB3 LEU A 73 2.271 7.948 -1.217 1.00 14.21 H new ATOM 0 HG LEU A 73 -0.163 7.511 0.549 1.00 30.11 H new ATOM 0 HD11 LEU A 73 0.560 9.575 1.696 1.00 12.21 H new ATOM 0 HD12 LEU A 73 1.769 8.278 1.844 1.00 12.21 H new ATOM 0 HD13 LEU A 73 2.030 9.611 0.694 1.00 12.21 H new ATOM 0 HD21 LEU A 73 -0.892 9.716 -0.299 1.00 2.41 H new ATOM 0 HD22 LEU A 73 0.515 9.756 -1.388 1.00 2.41 H new ATOM 0 HD23 LEU A 73 -0.747 8.519 -1.608 1.00 2.41 H new ATOM 1161 N ALA A 74 2.735 4.927 -2.579 1.00 15.23 N ATOM 1162 CA ALA A 74 3.704 4.416 -3.556 1.00 22.32 C ATOM 1163 C ALA A 74 3.007 3.994 -4.860 1.00 40.35 C ATOM 1164 O ALA A 74 3.489 4.276 -5.958 1.00 3.42 O ATOM 1165 CB ALA A 74 4.485 3.246 -2.965 1.00 52.05 C ATOM 0 H ALA A 74 2.705 4.405 -1.703 1.00 15.23 H new ATOM 0 HA ALA A 74 4.401 5.219 -3.793 1.00 22.32 H new ATOM 0 HB1 ALA A 74 5.200 2.877 -3.701 1.00 52.05 H new ATOM 0 HB2 ALA A 74 5.019 3.578 -2.075 1.00 52.05 H new ATOM 0 HB3 ALA A 74 3.795 2.446 -2.697 1.00 52.05 H new ATOM 1171 N ALA A 75 1.867 3.321 -4.726 1.00 74.31 N ATOM 1172 CA ALA A 75 1.066 2.913 -5.881 1.00 31.00 C ATOM 1173 C ALA A 75 0.395 4.119 -6.560 1.00 4.15 C ATOM 1174 O ALA A 75 0.374 4.222 -7.786 1.00 43.43 O ATOM 1175 CB ALA A 75 0.013 1.901 -5.455 1.00 2.44 C ATOM 0 H ALA A 75 1.474 3.045 -3.826 1.00 74.31 H new ATOM 0 HA ALA A 75 1.737 2.454 -6.606 1.00 31.00 H new ATOM 0 HB1 ALA A 75 -0.578 1.604 -6.322 1.00 2.44 H new ATOM 0 HB2 ALA A 75 0.502 1.024 -5.031 1.00 2.44 H new ATOM 0 HB3 ALA A 75 -0.641 2.349 -4.707 1.00 2.44 H new ATOM 1181 N LEU A 76 -0.148 5.029 -5.754 1.00 61.20 N ATOM 1182 CA LEU A 76 -0.829 6.222 -6.269 1.00 23.22 C ATOM 1183 C LEU A 76 0.128 7.134 -7.054 1.00 71.42 C ATOM 1184 O LEU A 76 -0.160 7.516 -8.177 1.00 54.42 O ATOM 1185 CB LEU A 76 -1.477 7.001 -5.115 1.00 62.23 C ATOM 1186 CG LEU A 76 -2.665 6.300 -4.435 1.00 11.15 C ATOM 1187 CD1 LEU A 76 -3.126 7.079 -3.205 1.00 52.13 C ATOM 1188 CD2 LEU A 76 -3.820 6.128 -5.419 1.00 41.24 C ATOM 0 H LEU A 76 -0.131 4.965 -4.736 1.00 61.20 H new ATOM 0 HA LEU A 76 -1.604 5.887 -6.959 1.00 23.22 H new ATOM 0 HB2 LEU A 76 -0.715 7.203 -4.362 1.00 62.23 H new ATOM 0 HB3 LEU A 76 -1.814 7.966 -5.494 1.00 62.23 H new ATOM 0 HG LEU A 76 -2.335 5.313 -4.110 1.00 11.15 H new ATOM 0 HD11 LEU A 76 -3.967 6.563 -2.742 1.00 52.13 H new ATOM 0 HD12 LEU A 76 -2.306 7.150 -2.491 1.00 52.13 H new ATOM 0 HD13 LEU A 76 -3.435 8.081 -3.503 1.00 52.13 H new ATOM 0 HD21 LEU A 76 -4.652 5.630 -4.920 1.00 41.24 H new ATOM 0 HD22 LEU A 76 -4.143 7.106 -5.775 1.00 41.24 H new ATOM 0 HD23 LEU A 76 -3.491 5.525 -6.265 1.00 41.24 H new ATOM 1200 N GLU A 77 1.270 7.466 -6.466 1.00 30.52 N ATOM 1201 CA GLU A 77 2.247 8.353 -7.117 1.00 4.31 C ATOM 1202 C GLU A 77 2.827 7.746 -8.408 1.00 65.12 C ATOM 1203 O GLU A 77 3.354 8.465 -9.259 1.00 14.25 O ATOM 1204 CB GLU A 77 3.382 8.693 -6.138 1.00 63.22 C ATOM 1205 CG GLU A 77 2.934 9.524 -4.940 1.00 73.44 C ATOM 1206 CD GLU A 77 2.447 10.909 -5.340 1.00 43.41 C ATOM 1207 OE1 GLU A 77 1.240 11.068 -5.638 1.00 32.41 O ATOM 1208 OE2 GLU A 77 3.270 11.851 -5.359 1.00 31.23 O ATOM 0 H GLU A 77 1.549 7.139 -5.541 1.00 30.52 H new ATOM 0 HA GLU A 77 1.718 9.263 -7.400 1.00 4.31 H new ATOM 0 HB2 GLU A 77 3.829 7.766 -5.779 1.00 63.22 H new ATOM 0 HB3 GLU A 77 4.161 9.236 -6.674 1.00 63.22 H new ATOM 0 HG2 GLU A 77 2.135 8.999 -4.416 1.00 73.44 H new ATOM 0 HG3 GLU A 77 3.763 9.622 -4.240 1.00 73.44 H new ATOM 1215 N LYS A 78 2.729 6.428 -8.552 1.00 51.44 N ATOM 1216 CA LYS A 78 3.259 5.735 -9.735 1.00 32.34 C ATOM 1217 C LYS A 78 2.168 5.539 -10.807 1.00 71.00 C ATOM 1218 O LYS A 78 2.363 5.876 -11.976 1.00 50.45 O ATOM 1219 CB LYS A 78 3.863 4.382 -9.306 1.00 71.55 C ATOM 1220 CG LYS A 78 4.748 3.696 -10.356 1.00 52.15 C ATOM 1221 CD LYS A 78 3.938 2.980 -11.436 1.00 54.45 C ATOM 1222 CE LYS A 78 4.838 2.306 -12.469 1.00 34.44 C ATOM 1223 NZ LYS A 78 5.687 3.284 -13.201 1.00 74.23 N ATOM 0 H LYS A 78 2.289 5.813 -7.868 1.00 51.44 H new ATOM 0 HA LYS A 78 4.040 6.350 -10.183 1.00 32.34 H new ATOM 0 HB2 LYS A 78 4.453 4.536 -8.403 1.00 71.55 H new ATOM 0 HB3 LYS A 78 3.049 3.706 -9.044 1.00 71.55 H new ATOM 0 HG2 LYS A 78 5.392 4.441 -10.825 1.00 52.15 H new ATOM 0 HG3 LYS A 78 5.401 2.977 -9.861 1.00 52.15 H new ATOM 0 HD2 LYS A 78 3.295 2.232 -10.972 1.00 54.45 H new ATOM 0 HD3 LYS A 78 3.285 3.696 -11.935 1.00 54.45 H new ATOM 0 HE2 LYS A 78 5.476 1.576 -11.971 1.00 34.44 H new ATOM 0 HE3 LYS A 78 4.222 1.758 -13.182 1.00 34.44 H new ATOM 0 HZ1 LYS A 78 6.153 2.809 -14.001 1.00 74.23 H new ATOM 0 HZ2 LYS A 78 5.094 4.061 -13.557 1.00 74.23 H new ATOM 0 HZ3 LYS A 78 6.409 3.667 -12.558 1.00 74.23 H new ATOM 1237 N LEU A 79 1.021 4.990 -10.403 1.00 72.25 N ATOM 1238 CA LEU A 79 -0.061 4.657 -11.345 1.00 13.25 C ATOM 1239 C LEU A 79 -1.093 5.792 -11.492 1.00 74.11 C ATOM 1240 O LEU A 79 -1.687 5.961 -12.556 1.00 73.41 O ATOM 1241 CB LEU A 79 -0.771 3.371 -10.891 1.00 32.24 C ATOM 1242 CG LEU A 79 0.118 2.119 -10.826 1.00 42.43 C ATOM 1243 CD1 LEU A 79 -0.669 0.925 -10.297 1.00 43.53 C ATOM 1244 CD2 LEU A 79 0.708 1.812 -12.201 1.00 61.14 C ATOM 0 H LEU A 79 0.813 4.765 -9.430 1.00 72.25 H new ATOM 0 HA LEU A 79 0.401 4.510 -12.322 1.00 13.25 H new ATOM 0 HB2 LEU A 79 -1.202 3.542 -9.905 1.00 32.24 H new ATOM 0 HB3 LEU A 79 -1.600 3.173 -11.571 1.00 32.24 H new ATOM 0 HG LEU A 79 0.939 2.315 -10.136 1.00 42.43 H new ATOM 0 HD11 LEU A 79 -0.021 0.050 -10.259 1.00 43.53 H new ATOM 0 HD12 LEU A 79 -1.038 1.147 -9.296 1.00 43.53 H new ATOM 0 HD13 LEU A 79 -1.512 0.724 -10.958 1.00 43.53 H new ATOM 0 HD21 LEU A 79 1.335 0.923 -12.138 1.00 61.14 H new ATOM 0 HD22 LEU A 79 -0.099 1.637 -12.912 1.00 61.14 H new ATOM 0 HD23 LEU A 79 1.310 2.657 -12.536 1.00 61.14 H new ATOM 1256 N PHE A 80 -1.304 6.570 -10.428 1.00 15.14 N ATOM 1257 CA PHE A 80 -2.320 7.638 -10.435 1.00 41.21 C ATOM 1258 C PHE A 80 -1.757 8.992 -9.936 1.00 75.14 C ATOM 1259 O PHE A 80 -2.315 9.600 -9.013 1.00 71.01 O ATOM 1260 CB PHE A 80 -3.509 7.228 -9.547 1.00 12.44 C ATOM 1261 CG PHE A 80 -4.115 5.891 -9.904 1.00 20.12 C ATOM 1262 CD1 PHE A 80 -4.873 5.740 -11.057 1.00 44.11 C ATOM 1263 CD2 PHE A 80 -3.929 4.786 -9.082 1.00 30.33 C ATOM 1264 CE1 PHE A 80 -5.427 4.516 -11.384 1.00 62.43 C ATOM 1265 CE2 PHE A 80 -4.483 3.561 -9.405 1.00 20.35 C ATOM 1266 CZ PHE A 80 -5.233 3.426 -10.557 1.00 43.42 C ATOM 0 H PHE A 80 -0.790 6.485 -9.551 1.00 15.14 H new ATOM 0 HA PHE A 80 -2.641 7.771 -11.468 1.00 41.21 H new ATOM 0 HB2 PHE A 80 -3.180 7.200 -8.508 1.00 12.44 H new ATOM 0 HB3 PHE A 80 -4.281 7.994 -9.616 1.00 12.44 H new ATOM 0 HD1 PHE A 80 -5.032 6.588 -11.706 1.00 44.11 H new ATOM 0 HD2 PHE A 80 -3.344 4.885 -8.179 1.00 30.33 H new ATOM 0 HE1 PHE A 80 -6.012 4.412 -12.286 1.00 62.43 H new ATOM 0 HE2 PHE A 80 -4.329 2.711 -8.757 1.00 20.35 H new ATOM 0 HZ PHE A 80 -5.667 2.470 -10.811 1.00 43.42 H new