USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.8!) USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= -0.0854 F(o=-5.5!,f=0.017) USER MOD Set 2.2: A 32 TYR OH : rot 13:sc= 0.103 USER MOD Single : A 18 ASN : amide:sc= -0.211 K(o=-0.21,f=-5.1!) USER MOD Single : A 21 MET CE :methyl -178:sc= -0.42 (180deg=-0.48) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -120:sc= -0.46 (180deg=-0.638) USER MOD Single : A 55 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 128:sc= 1.3 (180deg=-0.342) USER MOD Single : A 58 GLN : amide:sc= 0.775 K(o=0.77,f=-0.73) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0151 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -8.146 9.057 2.374 1.00 24.51 N ATOM 284 CA ASN A 18 -7.289 8.033 3.002 1.00 45.00 C ATOM 285 C ASN A 18 -6.612 7.157 1.929 1.00 31.42 C ATOM 286 O ASN A 18 -7.289 6.436 1.204 1.00 43.05 O ATOM 287 CB ASN A 18 -8.103 7.163 3.978 1.00 43.22 C ATOM 288 CG ASN A 18 -7.305 6.005 4.551 1.00 50.31 C ATOM 289 OD1 ASN A 18 -7.239 4.931 3.960 1.00 64.14 O ATOM 290 ND2 ASN A 18 -6.708 6.203 5.710 1.00 14.31 N ATOM 0 HA ASN A 18 -6.510 8.543 3.569 1.00 45.00 H new ATOM 0 HB2 ASN A 18 -8.465 7.786 4.795 1.00 43.22 H new ATOM 0 HB3 ASN A 18 -8.980 6.772 3.462 1.00 43.22 H new ATOM 0 HD21 ASN A 18 -6.171 5.451 6.142 1.00 14.31 H new ATOM 0 HD22 ASN A 18 -6.783 7.108 6.174 1.00 14.31 H new ATOM 297 N PRO A 19 -5.262 7.193 1.825 1.00 3.10 N ATOM 298 CA PRO A 19 -4.521 6.502 0.747 1.00 62.13 C ATOM 299 C PRO A 19 -4.988 5.056 0.493 1.00 23.30 C ATOM 300 O PRO A 19 -5.160 4.647 -0.655 1.00 62.34 O ATOM 301 CB PRO A 19 -3.055 6.527 1.230 1.00 74.54 C ATOM 302 CG PRO A 19 -3.090 7.060 2.630 1.00 20.31 C ATOM 303 CD PRO A 19 -4.342 7.887 2.740 1.00 11.33 C ATOM 0 HA PRO A 19 -4.680 6.999 -0.210 1.00 62.13 H new ATOM 0 HB2 PRO A 19 -2.618 5.529 1.204 1.00 74.54 H new ATOM 0 HB3 PRO A 19 -2.443 7.160 0.587 1.00 74.54 H new ATOM 0 HG2 PRO A 19 -3.098 6.246 3.355 1.00 20.31 H new ATOM 0 HG3 PRO A 19 -2.207 7.664 2.838 1.00 20.31 H new ATOM 0 HD2 PRO A 19 -4.725 7.910 3.760 1.00 11.33 H new ATOM 0 HD3 PRO A 19 -4.173 8.921 2.439 1.00 11.33 H new ATOM 311 N VAL A 20 -5.199 4.295 1.563 1.00 52.31 N ATOM 312 CA VAL A 20 -5.616 2.892 1.445 1.00 60.24 C ATOM 313 C VAL A 20 -6.973 2.762 0.729 1.00 51.12 C ATOM 314 O VAL A 20 -7.084 2.115 -0.319 1.00 41.32 O ATOM 315 CB VAL A 20 -5.709 2.224 2.842 1.00 3.53 C ATOM 316 CG1 VAL A 20 -6.143 0.763 2.724 1.00 23.24 C ATOM 317 CG2 VAL A 20 -4.374 2.333 3.580 1.00 32.41 C ATOM 0 H VAL A 20 -5.089 4.621 2.523 1.00 52.31 H new ATOM 0 HA VAL A 20 -4.858 2.384 0.850 1.00 60.24 H new ATOM 0 HB VAL A 20 -6.466 2.754 3.420 1.00 3.53 H new ATOM 0 HG11 VAL A 20 -6.200 0.319 3.718 1.00 23.24 H new ATOM 0 HG12 VAL A 20 -7.122 0.712 2.247 1.00 23.24 H new ATOM 0 HG13 VAL A 20 -5.417 0.215 2.123 1.00 23.24 H new ATOM 0 HG21 VAL A 20 -4.459 1.859 4.558 1.00 32.41 H new ATOM 0 HG22 VAL A 20 -3.597 1.834 3.001 1.00 32.41 H new ATOM 0 HG23 VAL A 20 -4.114 3.384 3.708 1.00 32.41 H new ATOM 327 N MET A 21 -8.000 3.395 1.288 1.00 13.02 N ATOM 328 CA MET A 21 -9.356 3.304 0.735 1.00 34.20 C ATOM 329 C MET A 21 -9.465 4.029 -0.617 1.00 33.22 C ATOM 330 O MET A 21 -10.116 3.538 -1.540 1.00 73.33 O ATOM 331 CB MET A 21 -10.378 3.866 1.729 1.00 45.00 C ATOM 332 CG MET A 21 -10.380 3.138 3.066 1.00 32.04 C ATOM 333 SD MET A 21 -11.685 3.712 4.175 1.00 30.12 S ATOM 334 CE MET A 21 -11.225 5.430 4.406 1.00 55.44 C ATOM 0 H MET A 21 -7.924 3.977 2.122 1.00 13.02 H new ATOM 0 HA MET A 21 -9.574 2.250 0.563 1.00 34.20 H new ATOM 0 HB2 MET A 21 -10.167 4.922 1.898 1.00 45.00 H new ATOM 0 HB3 MET A 21 -11.373 3.806 1.289 1.00 45.00 H new ATOM 0 HG2 MET A 21 -10.502 2.069 2.892 1.00 32.04 H new ATOM 0 HG3 MET A 21 -9.413 3.274 3.550 1.00 32.04 H new ATOM 0 HE1 MET A 21 -11.922 5.903 5.098 1.00 55.44 H new ATOM 0 HE2 MET A 21 -10.216 5.485 4.814 1.00 55.44 H new ATOM 0 HE3 MET A 21 -11.258 5.948 3.447 1.00 55.44 H new ATOM 344 N GLU A 22 -8.819 5.187 -0.727 1.00 20.45 N ATOM 345 CA GLU A 22 -8.778 5.939 -1.987 1.00 22.32 C ATOM 346 C GLU A 22 -8.186 5.086 -3.113 1.00 11.13 C ATOM 347 O GLU A 22 -8.735 5.015 -4.212 1.00 53.12 O ATOM 348 CB GLU A 22 -7.962 7.227 -1.823 1.00 31.14 C ATOM 349 CG GLU A 22 -7.927 8.094 -3.077 1.00 41.42 C ATOM 350 CD GLU A 22 -7.398 9.493 -2.812 1.00 55.35 C ATOM 351 OE1 GLU A 22 -7.964 10.197 -1.947 1.00 72.11 O ATOM 352 OE2 GLU A 22 -6.427 9.914 -3.476 1.00 42.50 O ATOM 0 H GLU A 22 -8.314 5.629 0.041 1.00 20.45 H new ATOM 0 HA GLU A 22 -9.802 6.203 -2.252 1.00 22.32 H new ATOM 0 HB2 GLU A 22 -8.379 7.809 -1.001 1.00 31.14 H new ATOM 0 HB3 GLU A 22 -6.941 6.967 -1.543 1.00 31.14 H new ATOM 0 HG2 GLU A 22 -7.303 7.611 -3.829 1.00 41.42 H new ATOM 0 HG3 GLU A 22 -8.932 8.164 -3.493 1.00 41.42 H new ATOM 359 N LEU A 23 -7.067 4.429 -2.824 1.00 72.02 N ATOM 360 CA LEU A 23 -6.455 3.487 -3.763 1.00 51.11 C ATOM 361 C LEU A 23 -7.454 2.387 -4.160 1.00 31.12 C ATOM 362 O LEU A 23 -7.484 1.951 -5.307 1.00 4.43 O ATOM 363 CB LEU A 23 -5.200 2.863 -3.140 1.00 11.34 C ATOM 364 CG LEU A 23 -4.429 1.881 -4.038 1.00 64.22 C ATOM 365 CD1 LEU A 23 -3.930 2.574 -5.307 1.00 12.40 C ATOM 366 CD2 LEU A 23 -3.269 1.258 -3.267 1.00 11.41 C ATOM 0 H LEU A 23 -6.562 4.530 -1.944 1.00 72.02 H new ATOM 0 HA LEU A 23 -6.171 4.033 -4.663 1.00 51.11 H new ATOM 0 HB2 LEU A 23 -4.524 3.666 -2.847 1.00 11.34 H new ATOM 0 HB3 LEU A 23 -5.490 2.342 -2.228 1.00 11.34 H new ATOM 0 HG LEU A 23 -5.110 1.086 -4.340 1.00 64.22 H new ATOM 0 HD11 LEU A 23 -3.388 1.857 -5.924 1.00 12.40 H new ATOM 0 HD12 LEU A 23 -4.780 2.965 -5.866 1.00 12.40 H new ATOM 0 HD13 LEU A 23 -3.266 3.395 -5.036 1.00 12.40 H new ATOM 0 HD21 LEU A 23 -2.732 0.565 -3.915 1.00 11.41 H new ATOM 0 HD22 LEU A 23 -2.590 2.043 -2.934 1.00 11.41 H new ATOM 0 HD23 LEU A 23 -3.655 0.720 -2.401 1.00 11.41 H new ATOM 378 N ASN A 24 -8.271 1.950 -3.197 1.00 11.21 N ATOM 379 CA ASN A 24 -9.332 0.960 -3.464 1.00 12.12 C ATOM 380 C ASN A 24 -10.474 1.558 -4.311 1.00 74.14 C ATOM 381 O ASN A 24 -11.207 0.831 -4.984 1.00 63.52 O ATOM 382 CB ASN A 24 -9.883 0.399 -2.143 1.00 34.11 C ATOM 383 CG ASN A 24 -8.885 -0.494 -1.420 1.00 62.11 C ATOM 384 OD1 ASN A 24 -7.605 -0.241 -1.604 1.00 43.34 O flip ATOM 385 ND2 ASN A 24 -9.262 -1.409 -0.698 1.00 22.43 N flip ATOM 0 H ASN A 24 -8.223 2.262 -2.227 1.00 11.21 H new ATOM 0 HA ASN A 24 -8.887 0.148 -4.039 1.00 12.12 H new ATOM 0 HB2 ASN A 24 -10.163 1.226 -1.491 1.00 34.11 H new ATOM 0 HB3 ASN A 24 -10.791 -0.168 -2.345 1.00 34.11 H new ATOM 0 HD21 ASN A 24 -10.259 -1.583 -0.573 1.00 22.43 H new ATOM 0 HD22 ASN A 24 -8.579 -1.997 -0.221 1.00 22.43 H new ATOM 392 N GLU A 25 -10.632 2.880 -4.261 1.00 73.25 N ATOM 393 CA GLU A 25 -11.598 3.579 -5.119 1.00 45.11 C ATOM 394 C GLU A 25 -11.018 3.795 -6.529 1.00 15.31 C ATOM 395 O GLU A 25 -11.740 3.748 -7.530 1.00 21.24 O ATOM 396 CB GLU A 25 -11.992 4.934 -4.503 1.00 31.21 C ATOM 397 CG GLU A 25 -12.646 4.824 -3.128 1.00 72.24 C ATOM 398 CD GLU A 25 -13.037 6.177 -2.548 1.00 33.40 C ATOM 399 OE1 GLU A 25 -12.138 6.997 -2.271 1.00 51.22 O ATOM 400 OE2 GLU A 25 -14.248 6.430 -2.360 1.00 2.10 O ATOM 0 H GLU A 25 -10.106 3.492 -3.637 1.00 73.25 H new ATOM 0 HA GLU A 25 -12.489 2.956 -5.197 1.00 45.11 H new ATOM 0 HB2 GLU A 25 -11.101 5.557 -4.422 1.00 31.21 H new ATOM 0 HB3 GLU A 25 -12.677 5.444 -5.180 1.00 31.21 H new ATOM 0 HG2 GLU A 25 -13.534 4.196 -3.203 1.00 72.24 H new ATOM 0 HG3 GLU A 25 -11.960 4.326 -2.444 1.00 72.24 H new ATOM 407 N LYS A 26 -9.707 4.034 -6.590 1.00 14.03 N ATOM 408 CA LYS A 26 -8.995 4.220 -7.860 1.00 14.21 C ATOM 409 C LYS A 26 -8.785 2.881 -8.587 1.00 20.42 C ATOM 410 O LYS A 26 -8.831 2.812 -9.817 1.00 3.15 O ATOM 411 CB LYS A 26 -7.634 4.890 -7.600 1.00 32.42 C ATOM 412 CG LYS A 26 -7.732 6.291 -6.992 1.00 24.33 C ATOM 413 CD LYS A 26 -8.386 7.290 -7.945 1.00 31.42 C ATOM 414 CE LYS A 26 -7.557 7.492 -9.210 1.00 64.15 C ATOM 415 NZ LYS A 26 -8.200 8.445 -10.150 1.00 71.34 N ATOM 0 H LYS A 26 -9.109 4.104 -5.766 1.00 14.03 H new ATOM 0 HA LYS A 26 -9.604 4.859 -8.499 1.00 14.21 H new ATOM 0 HB2 LYS A 26 -7.051 4.256 -6.932 1.00 32.42 H new ATOM 0 HB3 LYS A 26 -7.086 4.951 -8.540 1.00 32.42 H new ATOM 0 HG2 LYS A 26 -8.307 6.244 -6.067 1.00 24.33 H new ATOM 0 HG3 LYS A 26 -6.734 6.642 -6.730 1.00 24.33 H new ATOM 0 HD2 LYS A 26 -9.381 6.937 -8.215 1.00 31.42 H new ATOM 0 HD3 LYS A 26 -8.514 8.246 -7.438 1.00 31.42 H new ATOM 0 HE2 LYS A 26 -6.568 7.861 -8.940 1.00 64.15 H new ATOM 0 HE3 LYS A 26 -7.415 6.533 -9.707 1.00 64.15 H new ATOM 0 HZ1 LYS A 26 -7.604 8.554 -10.996 1.00 71.34 H new ATOM 0 HZ2 LYS A 26 -9.134 8.081 -10.428 1.00 71.34 H new ATOM 0 HZ3 LYS A 26 -8.313 9.368 -9.685 1.00 71.34 H new ATOM 429 N ARG A 27 -8.548 1.825 -7.814 1.00 62.22 N ATOM 430 CA ARG A 27 -8.353 0.476 -8.356 1.00 43.45 C ATOM 431 C ARG A 27 -9.133 -0.571 -7.548 1.00 72.51 C ATOM 432 O ARG A 27 -9.009 -0.653 -6.328 1.00 34.30 O ATOM 433 CB ARG A 27 -6.856 0.112 -8.387 1.00 12.33 C ATOM 434 CG ARG A 27 -6.142 0.540 -9.666 1.00 30.01 C ATOM 435 CD ARG A 27 -6.735 -0.156 -10.887 1.00 50.30 C ATOM 436 NE ARG A 27 -6.036 0.179 -12.122 1.00 54.11 N ATOM 437 CZ ARG A 27 -6.635 0.489 -13.237 1.00 33.03 C ATOM 438 NH1 ARG A 27 -7.931 0.589 -13.288 1.00 4.21 N ATOM 439 NH2 ARG A 27 -5.935 0.713 -14.298 1.00 70.13 N ATOM 0 H ARG A 27 -8.485 1.876 -6.797 1.00 62.22 H new ATOM 0 HA ARG A 27 -8.738 0.474 -9.376 1.00 43.45 H new ATOM 0 HB2 ARG A 27 -6.362 0.576 -7.534 1.00 12.33 H new ATOM 0 HB3 ARG A 27 -6.752 -0.966 -8.268 1.00 12.33 H new ATOM 0 HG2 ARG A 27 -6.221 1.621 -9.786 1.00 30.01 H new ATOM 0 HG3 ARG A 27 -5.080 0.305 -9.589 1.00 30.01 H new ATOM 0 HD2 ARG A 27 -6.701 -1.235 -10.737 1.00 50.30 H new ATOM 0 HD3 ARG A 27 -7.785 0.120 -10.983 1.00 50.30 H new ATOM 0 HE ARG A 27 -5.016 0.170 -12.113 1.00 54.11 H new ATOM 0 HH11 ARG A 27 -8.489 0.424 -12.450 1.00 4.21 H new ATOM 0 HH12 ARG A 27 -8.390 0.832 -14.166 1.00 4.21 H new ATOM 0 HH21 ARG A 27 -4.918 0.647 -14.261 1.00 70.13 H new ATOM 0 HH22 ARG A 27 -6.399 0.956 -15.173 1.00 70.13 H new ATOM 453 N ARG A 28 -9.933 -1.375 -8.241 1.00 71.11 N ATOM 454 CA ARG A 28 -10.715 -2.435 -7.595 1.00 63.30 C ATOM 455 C ARG A 28 -9.966 -3.777 -7.644 1.00 15.15 C ATOM 456 O ARG A 28 -9.185 -4.024 -8.564 1.00 51.31 O ATOM 457 CB ARG A 28 -12.081 -2.573 -8.283 1.00 51.23 C ATOM 458 CG ARG A 28 -12.819 -1.249 -8.484 1.00 0.14 C ATOM 459 CD ARG A 28 -13.117 -0.540 -7.166 1.00 11.50 C ATOM 460 NE ARG A 28 -13.801 0.733 -7.384 1.00 24.04 N ATOM 461 CZ ARG A 28 -14.311 1.475 -6.440 1.00 72.52 C ATOM 462 NH1 ARG A 28 -14.207 1.134 -5.195 1.00 21.31 N ATOM 463 NH2 ARG A 28 -14.902 2.582 -6.749 1.00 23.40 N ATOM 0 H ARG A 28 -10.060 -1.316 -9.251 1.00 71.11 H new ATOM 0 HA ARG A 28 -10.863 -2.162 -6.550 1.00 63.30 H new ATOM 0 HB2 ARG A 28 -11.940 -3.048 -9.254 1.00 51.23 H new ATOM 0 HB3 ARG A 28 -12.708 -3.239 -7.690 1.00 51.23 H new ATOM 0 HG2 ARG A 28 -12.219 -0.595 -9.117 1.00 0.14 H new ATOM 0 HG3 ARG A 28 -13.754 -1.435 -9.013 1.00 0.14 H new ATOM 0 HD2 ARG A 28 -13.734 -1.182 -6.538 1.00 11.50 H new ATOM 0 HD3 ARG A 28 -12.186 -0.366 -6.627 1.00 11.50 H new ATOM 0 HE ARG A 28 -13.886 1.066 -8.345 1.00 24.04 H new ATOM 0 HH11 ARG A 28 -13.721 0.274 -4.941 1.00 21.31 H new ATOM 0 HH12 ARG A 28 -14.611 1.725 -4.469 1.00 21.31 H new ATOM 0 HH21 ARG A 28 -14.967 2.870 -7.725 1.00 23.40 H new ATOM 0 HH22 ARG A 28 -15.303 3.168 -6.017 1.00 23.40 H new ATOM 477 N GLY A 29 -10.217 -4.641 -6.661 1.00 55.21 N ATOM 478 CA GLY A 29 -9.534 -5.932 -6.600 1.00 54.02 C ATOM 479 C GLY A 29 -8.056 -5.813 -6.233 1.00 1.24 C ATOM 480 O GLY A 29 -7.177 -6.079 -7.055 1.00 51.54 O ATOM 0 H GLY A 29 -10.880 -4.473 -5.904 1.00 55.21 H new ATOM 0 HA2 GLY A 29 -10.034 -6.566 -5.868 1.00 54.02 H new ATOM 0 HA3 GLY A 29 -9.623 -6.429 -7.566 1.00 54.02 H new ATOM 484 N LEU A 30 -7.785 -5.412 -4.991 1.00 22.41 N ATOM 485 CA LEU A 30 -6.407 -5.217 -4.515 1.00 61.14 C ATOM 486 C LEU A 30 -6.065 -6.164 -3.357 1.00 22.04 C ATOM 487 O LEU A 30 -6.949 -6.693 -2.681 1.00 72.30 O ATOM 488 CB LEU A 30 -6.201 -3.766 -4.055 1.00 33.50 C ATOM 489 CG LEU A 30 -6.579 -2.687 -5.082 1.00 11.40 C ATOM 490 CD1 LEU A 30 -6.297 -1.292 -4.529 1.00 1.34 C ATOM 491 CD2 LEU A 30 -5.843 -2.910 -6.404 1.00 50.32 C ATOM 0 H LEU A 30 -8.500 -5.214 -4.291 1.00 22.41 H new ATOM 0 HA LEU A 30 -5.744 -5.440 -5.351 1.00 61.14 H new ATOM 0 HB2 LEU A 30 -6.787 -3.603 -3.150 1.00 33.50 H new ATOM 0 HB3 LEU A 30 -5.153 -3.634 -3.784 1.00 33.50 H new ATOM 0 HG LEU A 30 -7.649 -2.764 -5.277 1.00 11.40 H new ATOM 0 HD11 LEU A 30 -6.572 -0.544 -5.272 1.00 1.34 H new ATOM 0 HD12 LEU A 30 -6.882 -1.135 -3.623 1.00 1.34 H new ATOM 0 HD13 LEU A 30 -5.236 -1.200 -4.297 1.00 1.34 H new ATOM 0 HD21 LEU A 30 -6.127 -2.134 -7.114 1.00 50.32 H new ATOM 0 HD22 LEU A 30 -4.767 -2.869 -6.233 1.00 50.32 H new ATOM 0 HD23 LEU A 30 -6.109 -3.887 -6.808 1.00 50.32 H new ATOM 503 N LYS A 31 -4.771 -6.356 -3.122 1.00 14.41 N ATOM 504 CA LYS A 31 -4.292 -7.211 -2.028 1.00 72.02 C ATOM 505 C LYS A 31 -3.468 -6.411 -1.012 1.00 13.10 C ATOM 506 O LYS A 31 -2.502 -5.760 -1.383 1.00 72.12 O ATOM 507 CB LYS A 31 -3.414 -8.344 -2.577 1.00 32.53 C ATOM 508 CG LYS A 31 -2.809 -9.228 -1.484 1.00 21.14 C ATOM 509 CD LYS A 31 -1.597 -10.019 -1.972 1.00 72.33 C ATOM 510 CE LYS A 31 -1.904 -10.853 -3.210 1.00 65.31 C ATOM 511 NZ LYS A 31 -0.727 -11.657 -3.643 1.00 52.52 N ATOM 0 H LYS A 31 -4.027 -5.931 -3.675 1.00 14.41 H new ATOM 0 HA LYS A 31 -5.172 -7.622 -1.534 1.00 72.02 H new ATOM 0 HB2 LYS A 31 -4.010 -8.964 -3.247 1.00 32.53 H new ATOM 0 HB3 LYS A 31 -2.609 -7.914 -3.173 1.00 32.53 H new ATOM 0 HG2 LYS A 31 -2.515 -8.605 -0.639 1.00 21.14 H new ATOM 0 HG3 LYS A 31 -3.568 -9.921 -1.121 1.00 21.14 H new ATOM 0 HD2 LYS A 31 -0.783 -9.329 -2.195 1.00 72.33 H new ATOM 0 HD3 LYS A 31 -1.249 -10.674 -1.173 1.00 72.33 H new ATOM 0 HE2 LYS A 31 -2.741 -11.519 -3.001 1.00 65.31 H new ATOM 0 HE3 LYS A 31 -2.214 -10.196 -4.023 1.00 65.31 H new ATOM 0 HZ1 LYS A 31 -0.976 -12.210 -4.488 1.00 52.52 H new ATOM 0 HZ2 LYS A 31 0.065 -11.021 -3.867 1.00 52.52 H new ATOM 0 HZ3 LYS A 31 -0.447 -12.302 -2.877 1.00 52.52 H new ATOM 525 N TYR A 32 -3.845 -6.475 0.263 1.00 72.04 N ATOM 526 CA TYR A 32 -3.034 -5.895 1.345 1.00 55.05 C ATOM 527 C TYR A 32 -2.544 -6.995 2.301 1.00 73.14 C ATOM 528 O TYR A 32 -3.351 -7.644 2.969 1.00 35.30 O ATOM 529 CB TYR A 32 -3.837 -4.852 2.144 1.00 24.23 C ATOM 530 CG TYR A 32 -4.117 -3.558 1.395 1.00 44.53 C ATOM 531 CD1 TYR A 32 -5.232 -3.430 0.571 1.00 35.51 C ATOM 532 CD2 TYR A 32 -3.273 -2.459 1.529 1.00 61.11 C ATOM 533 CE1 TYR A 32 -5.492 -2.249 -0.098 1.00 61.33 C ATOM 534 CE2 TYR A 32 -3.531 -1.274 0.866 1.00 60.14 C ATOM 535 CZ TYR A 32 -4.641 -1.173 0.053 1.00 13.41 C ATOM 536 OH TYR A 32 -4.899 0.010 -0.606 1.00 54.24 O ATOM 0 H TYR A 32 -4.706 -6.922 0.578 1.00 72.04 H new ATOM 0 HA TYR A 32 -2.177 -5.404 0.884 1.00 55.05 H new ATOM 0 HB2 TYR A 32 -4.787 -5.296 2.444 1.00 24.23 H new ATOM 0 HB3 TYR A 32 -3.293 -4.616 3.058 1.00 24.23 H new ATOM 0 HD1 TYR A 32 -5.904 -4.267 0.453 1.00 35.51 H new ATOM 0 HD2 TYR A 32 -2.401 -2.534 2.162 1.00 61.11 H new ATOM 0 HE1 TYR A 32 -6.359 -2.168 -0.737 1.00 61.33 H new ATOM 0 HE2 TYR A 32 -2.867 -0.431 0.984 1.00 60.14 H new ATOM 0 HH TYR A 32 -5.811 -0.007 -0.964 1.00 54.24 H new ATOM 546 N GLU A 33 -1.228 -7.211 2.365 1.00 1.00 N ATOM 547 CA GLU A 33 -0.661 -8.199 3.295 1.00 31.24 C ATOM 548 C GLU A 33 0.584 -7.665 4.026 1.00 14.04 C ATOM 549 O GLU A 33 1.149 -6.631 3.663 1.00 25.03 O ATOM 550 CB GLU A 33 -0.311 -9.504 2.568 1.00 74.50 C ATOM 551 CG GLU A 33 0.858 -9.392 1.593 1.00 41.13 C ATOM 552 CD GLU A 33 1.237 -10.737 0.996 1.00 41.24 C ATOM 553 OE1 GLU A 33 1.971 -11.499 1.660 1.00 42.00 O ATOM 554 OE2 GLU A 33 0.783 -11.051 -0.125 1.00 44.41 O ATOM 0 H GLU A 33 -0.539 -6.723 1.792 1.00 1.00 H new ATOM 0 HA GLU A 33 -1.431 -8.398 4.041 1.00 31.24 H new ATOM 0 HB2 GLU A 33 -0.077 -10.267 3.310 1.00 74.50 H new ATOM 0 HB3 GLU A 33 -1.190 -9.849 2.023 1.00 74.50 H new ATOM 0 HG2 GLU A 33 0.596 -8.701 0.792 1.00 41.13 H new ATOM 0 HG3 GLU A 33 1.720 -8.969 2.109 1.00 41.13 H new ATOM 561 N LEU A 34 1.000 -8.399 5.055 1.00 72.14 N ATOM 562 CA LEU A 34 2.147 -8.022 5.895 1.00 21.43 C ATOM 563 C LEU A 34 3.467 -8.594 5.349 1.00 43.33 C ATOM 564 O LEU A 34 3.526 -9.751 4.922 1.00 1.13 O ATOM 565 CB LEU A 34 1.916 -8.541 7.320 1.00 73.23 C ATOM 566 CG LEU A 34 3.081 -8.345 8.304 1.00 53.40 C ATOM 567 CD1 LEU A 34 3.289 -6.865 8.616 1.00 42.40 C ATOM 568 CD2 LEU A 34 2.838 -9.151 9.578 1.00 71.24 C ATOM 0 H LEU A 34 0.555 -9.273 5.335 1.00 72.14 H new ATOM 0 HA LEU A 34 2.229 -6.935 5.892 1.00 21.43 H new ATOM 0 HB2 LEU A 34 1.035 -8.046 7.728 1.00 73.23 H new ATOM 0 HB3 LEU A 34 1.687 -9.605 7.266 1.00 73.23 H new ATOM 0 HG LEU A 34 3.995 -8.713 7.837 1.00 53.40 H new ATOM 0 HD11 LEU A 34 4.119 -6.753 9.314 1.00 42.40 H new ATOM 0 HD12 LEU A 34 3.515 -6.327 7.695 1.00 42.40 H new ATOM 0 HD13 LEU A 34 2.382 -6.456 9.062 1.00 42.40 H new ATOM 0 HD21 LEU A 34 3.670 -9.003 10.266 1.00 71.24 H new ATOM 0 HD22 LEU A 34 1.914 -8.817 10.049 1.00 71.24 H new ATOM 0 HD23 LEU A 34 2.756 -10.209 9.329 1.00 71.24 H new ATOM 580 N ILE A 35 4.528 -7.787 5.378 1.00 41.11 N ATOM 581 CA ILE A 35 5.853 -8.230 4.923 1.00 21.43 C ATOM 582 C ILE A 35 6.834 -8.399 6.098 1.00 23.51 C ATOM 583 O ILE A 35 7.508 -9.425 6.210 1.00 22.02 O ATOM 584 CB ILE A 35 6.452 -7.244 3.886 1.00 64.43 C ATOM 585 CG1 ILE A 35 5.539 -7.142 2.656 1.00 71.52 C ATOM 586 CG2 ILE A 35 7.862 -7.668 3.474 1.00 13.14 C ATOM 587 CD1 ILE A 35 5.325 -8.459 1.936 1.00 2.33 C ATOM 0 H ILE A 35 4.499 -6.823 5.711 1.00 41.11 H new ATOM 0 HA ILE A 35 5.711 -9.201 4.449 1.00 21.43 H new ATOM 0 HB ILE A 35 6.520 -6.261 4.353 1.00 64.43 H new ATOM 0 HG12 ILE A 35 4.571 -6.748 2.966 1.00 71.52 H new ATOM 0 HG13 ILE A 35 5.967 -6.423 1.957 1.00 71.52 H new ATOM 0 HG21 ILE A 35 8.257 -6.959 2.747 1.00 13.14 H new ATOM 0 HG22 ILE A 35 8.508 -7.685 4.352 1.00 13.14 H new ATOM 0 HG23 ILE A 35 7.828 -8.663 3.029 1.00 13.14 H new ATOM 0 HD11 ILE A 35 4.669 -8.303 1.079 1.00 2.33 H new ATOM 0 HD12 ILE A 35 6.284 -8.846 1.593 1.00 2.33 H new ATOM 0 HD13 ILE A 35 4.867 -9.176 2.617 1.00 2.33 H new ATOM 599 N SER A 36 6.913 -7.394 6.971 1.00 11.13 N ATOM 600 CA SER A 36 7.835 -7.439 8.122 1.00 31.34 C ATOM 601 C SER A 36 7.295 -6.655 9.323 1.00 54.32 C ATOM 602 O SER A 36 6.575 -5.668 9.161 1.00 1.10 O ATOM 603 CB SER A 36 9.212 -6.878 7.731 1.00 11.53 C ATOM 604 OG SER A 36 10.105 -6.872 8.838 1.00 0.04 O ATOM 0 H SER A 36 6.356 -6.541 6.910 1.00 11.13 H new ATOM 0 HA SER A 36 7.929 -8.486 8.411 1.00 31.34 H new ATOM 0 HB2 SER A 36 9.635 -7.477 6.924 1.00 11.53 H new ATOM 0 HB3 SER A 36 9.098 -5.864 7.349 1.00 11.53 H new ATOM 0 HG SER A 36 10.972 -6.512 8.557 1.00 0.04 H new ATOM 740 N PHE A 46 6.773 -1.144 10.903 1.00 63.01 N ATOM 741 CA PHE A 46 6.118 -2.232 10.162 1.00 50.55 C ATOM 742 C PHE A 46 6.209 -2.013 8.641 1.00 62.33 C ATOM 743 O PHE A 46 6.217 -0.875 8.164 1.00 25.53 O ATOM 744 CB PHE A 46 4.648 -2.362 10.592 1.00 3.12 C ATOM 745 CG PHE A 46 4.461 -2.874 12.005 1.00 50.21 C ATOM 746 CD1 PHE A 46 4.845 -2.107 13.095 1.00 2.44 C ATOM 747 CD2 PHE A 46 3.907 -4.124 12.239 1.00 64.10 C ATOM 748 CE1 PHE A 46 4.680 -2.574 14.385 1.00 74.24 C ATOM 749 CE2 PHE A 46 3.739 -4.594 13.528 1.00 61.21 C ATOM 750 CZ PHE A 46 4.125 -3.818 14.603 1.00 73.23 C ATOM 0 HA PHE A 46 6.642 -3.158 10.399 1.00 50.55 H new ATOM 0 HB2 PHE A 46 4.167 -1.388 10.503 1.00 3.12 H new ATOM 0 HB3 PHE A 46 4.137 -3.034 9.903 1.00 3.12 H new ATOM 0 HD1 PHE A 46 5.279 -1.131 12.933 1.00 2.44 H new ATOM 0 HD2 PHE A 46 3.603 -4.738 11.404 1.00 64.10 H new ATOM 0 HE1 PHE A 46 4.986 -1.965 15.223 1.00 74.24 H new ATOM 0 HE2 PHE A 46 3.305 -5.569 13.695 1.00 61.21 H new ATOM 0 HZ PHE A 46 3.993 -4.184 15.611 1.00 73.23 H new ATOM 760 N VAL A 47 6.277 -3.114 7.887 1.00 42.34 N ATOM 761 CA VAL A 47 6.366 -3.064 6.420 1.00 30.51 C ATOM 762 C VAL A 47 5.204 -3.835 5.771 1.00 40.11 C ATOM 763 O VAL A 47 5.047 -5.039 5.993 1.00 73.21 O ATOM 764 CB VAL A 47 7.707 -3.664 5.913 1.00 40.02 C ATOM 765 CG1 VAL A 47 7.840 -3.498 4.399 1.00 24.32 C ATOM 766 CG2 VAL A 47 8.893 -3.028 6.635 1.00 25.21 C ATOM 0 H VAL A 47 6.272 -4.059 8.270 1.00 42.34 H new ATOM 0 HA VAL A 47 6.313 -2.013 6.136 1.00 30.51 H new ATOM 0 HB VAL A 47 7.706 -4.731 6.137 1.00 40.02 H new ATOM 0 HG11 VAL A 47 8.786 -3.926 4.068 1.00 24.32 H new ATOM 0 HG12 VAL A 47 7.016 -4.012 3.903 1.00 24.32 H new ATOM 0 HG13 VAL A 47 7.812 -2.438 4.145 1.00 24.32 H new ATOM 0 HG21 VAL A 47 9.821 -3.463 6.264 1.00 25.21 H new ATOM 0 HG22 VAL A 47 8.897 -1.954 6.451 1.00 25.21 H new ATOM 0 HG23 VAL A 47 8.808 -3.212 7.706 1.00 25.21 H new ATOM 776 N MET A 48 4.400 -3.138 4.967 1.00 52.10 N ATOM 777 CA MET A 48 3.230 -3.745 4.311 1.00 51.02 C ATOM 778 C MET A 48 3.374 -3.726 2.779 1.00 43.20 C ATOM 779 O MET A 48 4.080 -2.879 2.224 1.00 22.12 O ATOM 780 CB MET A 48 1.958 -2.988 4.723 1.00 71.24 C ATOM 781 CG MET A 48 1.760 -2.899 6.234 1.00 53.22 C ATOM 782 SD MET A 48 1.428 -4.499 7.006 1.00 30.31 S ATOM 783 CE MET A 48 -0.206 -4.866 6.362 1.00 22.34 C ATOM 0 H MET A 48 4.534 -2.150 4.751 1.00 52.10 H new ATOM 0 HA MET A 48 3.162 -4.785 4.630 1.00 51.02 H new ATOM 0 HB2 MET A 48 1.996 -1.980 4.310 1.00 71.24 H new ATOM 0 HB3 MET A 48 1.093 -3.481 4.280 1.00 71.24 H new ATOM 0 HG2 MET A 48 2.651 -2.463 6.685 1.00 53.22 H new ATOM 0 HG3 MET A 48 0.932 -2.222 6.446 1.00 53.22 H new ATOM 0 HE1 MET A 48 -0.908 -4.970 7.189 1.00 22.34 H new ATOM 0 HE2 MET A 48 -0.531 -4.055 5.710 1.00 22.34 H new ATOM 0 HE3 MET A 48 -0.173 -5.796 5.795 1.00 22.34 H new ATOM 793 N GLU A 49 2.705 -4.661 2.100 1.00 13.13 N ATOM 794 CA GLU A 49 2.713 -4.716 0.628 1.00 42.52 C ATOM 795 C GLU A 49 1.287 -4.719 0.061 1.00 12.12 C ATOM 796 O GLU A 49 0.379 -5.336 0.629 1.00 1.11 O ATOM 797 CB GLU A 49 3.466 -5.962 0.126 1.00 13.01 C ATOM 798 CG GLU A 49 3.518 -6.084 -1.399 1.00 2.22 C ATOM 799 CD GLU A 49 4.345 -7.272 -1.876 1.00 54.40 C ATOM 800 OE1 GLU A 49 3.790 -8.388 -1.990 1.00 33.13 O ATOM 801 OE2 GLU A 49 5.553 -7.093 -2.146 1.00 23.42 O ATOM 0 H GLU A 49 2.149 -5.393 2.542 1.00 13.13 H new ATOM 0 HA GLU A 49 3.228 -3.822 0.277 1.00 42.52 H new ATOM 0 HB2 GLU A 49 4.485 -5.939 0.514 1.00 13.01 H new ATOM 0 HB3 GLU A 49 2.989 -6.852 0.536 1.00 13.01 H new ATOM 0 HG2 GLU A 49 2.503 -6.177 -1.785 1.00 2.22 H new ATOM 0 HG3 GLU A 49 3.935 -5.168 -1.817 1.00 2.22 H new ATOM 808 N VAL A 50 1.093 -4.035 -1.064 1.00 64.24 N ATOM 809 CA VAL A 50 -0.208 -4.004 -1.733 1.00 51.44 C ATOM 810 C VAL A 50 -0.085 -4.316 -3.235 1.00 43.21 C ATOM 811 O VAL A 50 0.645 -3.649 -3.971 1.00 54.30 O ATOM 812 CB VAL A 50 -0.923 -2.640 -1.532 1.00 13.45 C ATOM 813 CG1 VAL A 50 -0.074 -1.483 -2.057 1.00 71.10 C ATOM 814 CG2 VAL A 50 -2.301 -2.653 -2.192 1.00 32.00 C ATOM 0 H VAL A 50 1.820 -3.494 -1.533 1.00 64.24 H new ATOM 0 HA VAL A 50 -0.813 -4.783 -1.270 1.00 51.44 H new ATOM 0 HB VAL A 50 -1.058 -2.487 -0.461 1.00 13.45 H new ATOM 0 HG11 VAL A 50 -0.603 -0.543 -1.901 1.00 71.10 H new ATOM 0 HG12 VAL A 50 0.876 -1.457 -1.523 1.00 71.10 H new ATOM 0 HG13 VAL A 50 0.112 -1.622 -3.122 1.00 71.10 H new ATOM 0 HG21 VAL A 50 -2.786 -1.689 -2.040 1.00 32.00 H new ATOM 0 HG22 VAL A 50 -2.191 -2.840 -3.260 1.00 32.00 H new ATOM 0 HG23 VAL A 50 -2.910 -3.440 -1.747 1.00 32.00 H new ATOM 824 N GLU A 51 -0.783 -5.357 -3.681 1.00 4.31 N ATOM 825 CA GLU A 51 -0.827 -5.702 -5.105 1.00 73.12 C ATOM 826 C GLU A 51 -1.892 -4.864 -5.831 1.00 71.32 C ATOM 827 O GLU A 51 -3.093 -5.118 -5.711 1.00 70.05 O ATOM 828 CB GLU A 51 -1.103 -7.206 -5.293 1.00 14.05 C ATOM 829 CG GLU A 51 -1.346 -7.618 -6.747 1.00 42.33 C ATOM 830 CD GLU A 51 -1.549 -9.118 -6.923 1.00 61.11 C ATOM 831 OE1 GLU A 51 -2.642 -9.630 -6.601 1.00 21.21 O ATOM 832 OE2 GLU A 51 -0.612 -9.796 -7.392 1.00 72.33 O ATOM 0 H GLU A 51 -1.326 -5.977 -3.081 1.00 4.31 H new ATOM 0 HA GLU A 51 0.146 -5.476 -5.541 1.00 73.12 H new ATOM 0 HB2 GLU A 51 -0.257 -7.772 -4.903 1.00 14.05 H new ATOM 0 HB3 GLU A 51 -1.973 -7.482 -4.698 1.00 14.05 H new ATOM 0 HG2 GLU A 51 -2.224 -7.093 -7.124 1.00 42.33 H new ATOM 0 HG3 GLU A 51 -0.499 -7.299 -7.354 1.00 42.33 H new ATOM 839 N VAL A 52 -1.439 -3.845 -6.558 1.00 4.11 N ATOM 840 CA VAL A 52 -2.330 -2.956 -7.309 1.00 34.30 C ATOM 841 C VAL A 52 -2.126 -3.103 -8.820 1.00 41.11 C ATOM 842 O VAL A 52 -1.016 -2.924 -9.327 1.00 72.42 O ATOM 843 CB VAL A 52 -2.097 -1.476 -6.919 1.00 12.44 C ATOM 844 CG1 VAL A 52 -3.082 -0.553 -7.636 1.00 13.32 C ATOM 845 CG2 VAL A 52 -2.189 -1.299 -5.410 1.00 45.33 C ATOM 0 H VAL A 52 -0.450 -3.611 -6.645 1.00 4.11 H new ATOM 0 HA VAL A 52 -3.350 -3.246 -7.055 1.00 34.30 H new ATOM 0 HB VAL A 52 -1.092 -1.199 -7.237 1.00 12.44 H new ATOM 0 HG11 VAL A 52 -2.893 0.479 -7.342 1.00 13.32 H new ATOM 0 HG12 VAL A 52 -2.955 -0.652 -8.714 1.00 13.32 H new ATOM 0 HG13 VAL A 52 -4.101 -0.827 -7.364 1.00 13.32 H new ATOM 0 HG21 VAL A 52 -2.022 -0.252 -5.156 1.00 45.33 H new ATOM 0 HG22 VAL A 52 -3.178 -1.603 -5.068 1.00 45.33 H new ATOM 0 HG23 VAL A 52 -1.432 -1.915 -4.925 1.00 45.33 H new ATOM 855 N ASP A 53 -3.202 -3.435 -9.536 1.00 33.14 N ATOM 856 CA ASP A 53 -3.165 -3.532 -11.002 1.00 11.03 C ATOM 857 C ASP A 53 -2.131 -4.591 -11.459 1.00 2.12 C ATOM 858 O ASP A 53 -1.561 -4.504 -12.548 1.00 53.40 O ATOM 859 CB ASP A 53 -2.837 -2.144 -11.591 1.00 24.44 C ATOM 860 CG ASP A 53 -3.432 -1.906 -12.971 1.00 33.11 C ATOM 861 OD1 ASP A 53 -3.702 -2.883 -13.695 1.00 4.42 O ATOM 862 OD2 ASP A 53 -3.625 -0.728 -13.336 1.00 75.04 O ATOM 0 H ASP A 53 -4.113 -3.642 -9.126 1.00 33.14 H new ATOM 0 HA ASP A 53 -4.140 -3.853 -11.368 1.00 11.03 H new ATOM 0 HB2 ASP A 53 -3.203 -1.375 -10.910 1.00 24.44 H new ATOM 0 HB3 ASP A 53 -1.754 -2.030 -11.648 1.00 24.44 H new ATOM 867 N GLY A 54 -1.899 -5.595 -10.608 1.00 52.22 N ATOM 868 CA GLY A 54 -0.931 -6.652 -10.913 1.00 41.31 C ATOM 869 C GLY A 54 0.468 -6.369 -10.361 1.00 1.40 C ATOM 870 O GLY A 54 1.286 -7.281 -10.210 1.00 1.51 O ATOM 0 H GLY A 54 -2.366 -5.698 -9.707 1.00 52.22 H new ATOM 0 HA2 GLY A 54 -1.292 -7.595 -10.503 1.00 41.31 H new ATOM 0 HA3 GLY A 54 -0.869 -6.778 -11.994 1.00 41.31 H new ATOM 874 N GLN A 55 0.737 -5.104 -10.052 1.00 11.13 N ATOM 875 CA GLN A 55 2.051 -4.673 -9.553 1.00 1.03 C ATOM 876 C GLN A 55 2.055 -4.560 -8.019 1.00 31.04 C ATOM 877 O GLN A 55 1.096 -4.075 -7.424 1.00 32.11 O ATOM 878 CB GLN A 55 2.414 -3.318 -10.178 1.00 33.41 C ATOM 879 CG GLN A 55 2.443 -3.333 -11.704 1.00 74.44 C ATOM 880 CD GLN A 55 2.476 -1.938 -12.308 1.00 75.24 C ATOM 881 OE1 GLN A 55 3.536 -1.365 -12.545 1.00 35.25 O ATOM 882 NE2 GLN A 55 1.310 -1.376 -12.560 1.00 1.42 N ATOM 0 H GLN A 55 0.058 -4.348 -10.138 1.00 11.13 H new ATOM 0 HA GLN A 55 2.791 -5.422 -9.836 1.00 1.03 H new ATOM 0 HB2 GLN A 55 1.695 -2.570 -9.845 1.00 33.41 H new ATOM 0 HB3 GLN A 55 3.391 -3.008 -9.808 1.00 33.41 H new ATOM 0 HG2 GLN A 55 3.317 -3.890 -12.040 1.00 74.44 H new ATOM 0 HG3 GLN A 55 1.565 -3.863 -12.074 1.00 74.44 H new ATOM 0 HE21 GLN A 55 0.447 -1.878 -12.352 1.00 1.42 H new ATOM 0 HE22 GLN A 55 1.272 -0.440 -12.963 1.00 1.42 H new ATOM 891 N LYS A 56 3.130 -5.011 -7.382 1.00 34.23 N ATOM 892 CA LYS A 56 3.244 -4.934 -5.917 1.00 74.11 C ATOM 893 C LYS A 56 3.940 -3.639 -5.465 1.00 10.12 C ATOM 894 O LYS A 56 5.006 -3.278 -5.972 1.00 62.30 O ATOM 895 CB LYS A 56 4.002 -6.148 -5.358 1.00 30.31 C ATOM 896 CG LYS A 56 3.190 -7.442 -5.304 1.00 75.53 C ATOM 897 CD LYS A 56 2.944 -8.052 -6.682 1.00 71.22 C ATOM 898 CE LYS A 56 2.396 -9.469 -6.561 1.00 20.13 C ATOM 899 NZ LYS A 56 2.033 -10.049 -7.879 1.00 30.15 N ATOM 0 H LYS A 56 3.934 -5.432 -7.847 1.00 34.23 H new ATOM 0 HA LYS A 56 2.228 -4.933 -5.522 1.00 74.11 H new ATOM 0 HB2 LYS A 56 4.889 -6.317 -5.969 1.00 30.31 H new ATOM 0 HB3 LYS A 56 4.348 -5.911 -4.352 1.00 30.31 H new ATOM 0 HG2 LYS A 56 3.713 -8.167 -4.680 1.00 75.53 H new ATOM 0 HG3 LYS A 56 2.231 -7.243 -4.825 1.00 75.53 H new ATOM 0 HD2 LYS A 56 2.240 -7.432 -7.238 1.00 71.22 H new ATOM 0 HD3 LYS A 56 3.875 -8.065 -7.249 1.00 71.22 H new ATOM 0 HE2 LYS A 56 3.140 -10.104 -6.080 1.00 20.13 H new ATOM 0 HE3 LYS A 56 1.518 -9.462 -5.916 1.00 20.13 H new ATOM 0 HZ1 LYS A 56 2.489 -10.977 -7.987 1.00 30.15 H new ATOM 0 HZ2 LYS A 56 1.001 -10.162 -7.936 1.00 30.15 H new ATOM 0 HZ3 LYS A 56 2.354 -9.415 -8.638 1.00 30.15 H new ATOM 913 N PHE A 57 3.325 -2.945 -4.509 1.00 55.13 N ATOM 914 CA PHE A 57 3.892 -1.719 -3.933 1.00 55.02 C ATOM 915 C PHE A 57 4.038 -1.853 -2.409 1.00 42.20 C ATOM 916 O PHE A 57 3.067 -2.138 -1.709 1.00 1.34 O ATOM 917 CB PHE A 57 3.000 -0.514 -4.267 1.00 44.52 C ATOM 918 CG PHE A 57 2.791 -0.302 -5.748 1.00 31.52 C ATOM 919 CD1 PHE A 57 3.670 0.480 -6.481 1.00 53.01 C ATOM 920 CD2 PHE A 57 1.714 -0.886 -6.406 1.00 30.22 C ATOM 921 CE1 PHE A 57 3.483 0.676 -7.836 1.00 11.45 C ATOM 922 CE2 PHE A 57 1.522 -0.691 -7.761 1.00 21.55 C ATOM 923 CZ PHE A 57 2.408 0.091 -8.476 1.00 60.45 C ATOM 0 H PHE A 57 2.424 -3.212 -4.111 1.00 55.13 H new ATOM 0 HA PHE A 57 4.880 -1.563 -4.366 1.00 55.02 H new ATOM 0 HB2 PHE A 57 2.030 -0.648 -3.788 1.00 44.52 H new ATOM 0 HB3 PHE A 57 3.445 0.385 -3.840 1.00 44.52 H new ATOM 0 HD1 PHE A 57 4.512 0.942 -5.987 1.00 53.01 H new ATOM 0 HD2 PHE A 57 1.019 -1.499 -5.852 1.00 30.22 H new ATOM 0 HE1 PHE A 57 4.177 1.286 -8.394 1.00 11.45 H new ATOM 0 HE2 PHE A 57 0.681 -1.149 -8.260 1.00 21.55 H new ATOM 0 HZ PHE A 57 2.260 0.245 -9.535 1.00 60.45 H new ATOM 933 N GLN A 58 5.251 -1.655 -1.903 1.00 44.53 N ATOM 934 CA GLN A 58 5.514 -1.762 -0.460 1.00 11.01 C ATOM 935 C GLN A 58 5.687 -0.390 0.206 1.00 64.24 C ATOM 936 O GLN A 58 6.070 0.594 -0.434 1.00 61.13 O ATOM 937 CB GLN A 58 6.759 -2.625 -0.198 1.00 11.12 C ATOM 938 CG GLN A 58 6.527 -4.120 -0.383 1.00 71.43 C ATOM 939 CD GLN A 58 7.749 -4.959 -0.047 1.00 22.34 C ATOM 940 OE1 GLN A 58 8.584 -4.571 0.765 1.00 43.40 O ATOM 941 NE2 GLN A 58 7.852 -6.123 -0.648 1.00 52.42 N ATOM 0 H GLN A 58 6.070 -1.420 -2.464 1.00 44.53 H new ATOM 0 HA GLN A 58 4.640 -2.239 -0.017 1.00 11.01 H new ATOM 0 HB2 GLN A 58 7.557 -2.306 -0.868 1.00 11.12 H new ATOM 0 HB3 GLN A 58 7.106 -2.445 0.819 1.00 11.12 H new ATOM 0 HG2 GLN A 58 5.694 -4.433 0.247 1.00 71.43 H new ATOM 0 HG3 GLN A 58 6.235 -4.311 -1.416 1.00 71.43 H new ATOM 0 HE21 GLN A 58 7.141 -6.416 -1.318 1.00 52.42 H new ATOM 0 HE22 GLN A 58 8.643 -6.734 -0.445 1.00 52.42 H new ATOM 950 N GLY A 59 5.401 -0.343 1.504 1.00 44.32 N ATOM 951 CA GLY A 59 5.564 0.881 2.277 1.00 20.12 C ATOM 952 C GLY A 59 5.853 0.613 3.752 1.00 33.24 C ATOM 953 O GLY A 59 5.272 -0.297 4.352 1.00 3.33 O ATOM 0 H GLY A 59 5.056 -1.138 2.041 1.00 44.32 H new ATOM 0 HA2 GLY A 59 6.378 1.468 1.852 1.00 20.12 H new ATOM 0 HA3 GLY A 59 4.659 1.483 2.192 1.00 20.12 H new ATOM 957 N ALA A 60 6.756 1.397 4.336 1.00 1.23 N ATOM 958 CA ALA A 60 7.111 1.265 5.751 1.00 3.14 C ATOM 959 C ALA A 60 6.892 2.583 6.505 1.00 14.22 C ATOM 960 O ALA A 60 7.471 3.615 6.157 1.00 3.04 O ATOM 961 CB ALA A 60 8.560 0.810 5.886 1.00 72.12 C ATOM 0 H ALA A 60 7.260 2.137 3.848 1.00 1.23 H new ATOM 0 HA ALA A 60 6.459 0.514 6.196 1.00 3.14 H new ATOM 0 HB1 ALA A 60 8.815 0.715 6.942 1.00 72.12 H new ATOM 0 HB2 ALA A 60 8.686 -0.154 5.394 1.00 72.12 H new ATOM 0 HB3 ALA A 60 9.217 1.544 5.419 1.00 72.12 H new ATOM 967 N GLY A 61 6.063 2.539 7.547 1.00 51.43 N ATOM 968 CA GLY A 61 5.740 3.750 8.297 1.00 14.15 C ATOM 969 C GLY A 61 5.221 3.477 9.702 1.00 33.51 C ATOM 970 O GLY A 61 4.017 3.356 9.910 1.00 22.00 O ATOM 0 H GLY A 61 5.609 1.691 7.887 1.00 51.43 H new ATOM 0 HA2 GLY A 61 6.631 4.375 8.363 1.00 14.15 H new ATOM 0 HA3 GLY A 61 4.991 4.319 7.746 1.00 14.15 H new ATOM 974 N SER A 62 6.137 3.387 10.666 1.00 4.44 N ATOM 975 CA SER A 62 5.785 3.163 12.079 1.00 63.22 C ATOM 976 C SER A 62 4.919 1.903 12.272 1.00 30.25 C ATOM 977 O SER A 62 5.442 0.811 12.474 1.00 22.11 O ATOM 978 CB SER A 62 5.076 4.394 12.675 1.00 22.32 C ATOM 979 OG SER A 62 4.832 4.234 14.066 1.00 41.22 O ATOM 0 H SER A 62 7.140 3.466 10.497 1.00 4.44 H new ATOM 0 HA SER A 62 6.722 3.003 12.613 1.00 63.22 H new ATOM 0 HB2 SER A 62 5.688 5.281 12.512 1.00 22.32 H new ATOM 0 HB3 SER A 62 4.132 4.558 12.156 1.00 22.32 H new ATOM 0 HG SER A 62 4.383 5.033 14.413 1.00 41.22 H new ATOM 985 N ASN A 63 3.598 2.053 12.164 1.00 54.11 N ATOM 986 CA ASN A 63 2.663 0.948 12.432 1.00 22.02 C ATOM 987 C ASN A 63 2.055 0.379 11.138 1.00 14.35 C ATOM 988 O ASN A 63 2.265 0.918 10.055 1.00 72.52 O ATOM 989 CB ASN A 63 1.545 1.421 13.368 1.00 62.04 C ATOM 990 CG ASN A 63 0.738 2.569 12.789 1.00 33.33 C ATOM 991 OD1 ASN A 63 -0.248 2.365 12.086 1.00 51.21 O ATOM 992 ND2 ASN A 63 1.144 3.785 13.084 1.00 3.33 N ATOM 0 H ASN A 63 3.147 2.927 11.893 1.00 54.11 H new ATOM 0 HA ASN A 63 3.230 0.149 12.910 1.00 22.02 H new ATOM 0 HB2 ASN A 63 0.878 0.585 13.581 1.00 62.04 H new ATOM 0 HB3 ASN A 63 1.980 1.732 14.318 1.00 62.04 H new ATOM 0 HD21 ASN A 63 0.635 4.593 12.726 1.00 3.33 H new ATOM 0 HD22 ASN A 63 1.967 3.919 13.671 1.00 3.33 H new ATOM 999 N LYS A 64 1.285 -0.708 11.268 1.00 33.31 N ATOM 1000 CA LYS A 64 0.660 -1.370 10.108 1.00 31.23 C ATOM 1001 C LYS A 64 -0.139 -0.390 9.232 1.00 24.54 C ATOM 1002 O LYS A 64 -0.010 -0.395 8.009 1.00 64.51 O ATOM 1003 CB LYS A 64 -0.274 -2.502 10.561 1.00 5.04 C ATOM 1004 CG LYS A 64 0.418 -3.637 11.310 1.00 24.51 C ATOM 1005 CD LYS A 64 -0.590 -4.708 11.736 1.00 12.24 C ATOM 1006 CE LYS A 64 0.041 -5.801 12.589 1.00 22.11 C ATOM 1007 NZ LYS A 64 1.005 -6.628 11.821 1.00 54.44 N ATOM 0 H LYS A 64 1.078 -1.151 12.163 1.00 33.31 H new ATOM 0 HA LYS A 64 1.478 -1.776 9.513 1.00 31.23 H new ATOM 0 HB2 LYS A 64 -1.049 -2.081 11.202 1.00 5.04 H new ATOM 0 HB3 LYS A 64 -0.774 -2.915 9.685 1.00 5.04 H new ATOM 0 HG2 LYS A 64 1.182 -4.084 10.674 1.00 24.51 H new ATOM 0 HG3 LYS A 64 0.926 -3.241 12.189 1.00 24.51 H new ATOM 0 HD2 LYS A 64 -1.399 -4.238 12.295 1.00 12.24 H new ATOM 0 HD3 LYS A 64 -1.035 -5.157 10.848 1.00 12.24 H new ATOM 0 HE2 LYS A 64 0.551 -5.347 13.439 1.00 22.11 H new ATOM 0 HE3 LYS A 64 -0.743 -6.442 12.993 1.00 22.11 H new ATOM 0 HZ1 LYS A 64 1.408 -7.358 12.442 1.00 54.44 H new ATOM 0 HZ2 LYS A 64 0.515 -7.084 11.025 1.00 54.44 H new ATOM 0 HZ3 LYS A 64 1.768 -6.023 11.457 1.00 54.44 H new ATOM 1021 N LYS A 65 -0.958 0.450 9.863 1.00 51.42 N ATOM 1022 CA LYS A 65 -1.859 1.351 9.132 1.00 43.23 C ATOM 1023 C LYS A 65 -1.086 2.424 8.352 1.00 53.11 C ATOM 1024 O LYS A 65 -1.315 2.623 7.159 1.00 20.40 O ATOM 1025 CB LYS A 65 -2.847 2.013 10.100 1.00 43.30 C ATOM 1026 CG LYS A 65 -3.656 1.011 10.919 1.00 23.12 C ATOM 1027 CD LYS A 65 -4.736 1.688 11.759 1.00 54.20 C ATOM 1028 CE LYS A 65 -5.801 2.345 10.892 1.00 63.52 C ATOM 1029 NZ LYS A 65 -6.912 2.909 11.704 1.00 61.13 N ATOM 0 H LYS A 65 -1.019 0.528 10.878 1.00 51.42 H new ATOM 0 HA LYS A 65 -2.409 0.749 8.409 1.00 43.23 H new ATOM 0 HB2 LYS A 65 -2.298 2.666 10.778 1.00 43.30 H new ATOM 0 HB3 LYS A 65 -3.531 2.645 9.534 1.00 43.30 H new ATOM 0 HG2 LYS A 65 -4.120 0.288 10.249 1.00 23.12 H new ATOM 0 HG3 LYS A 65 -2.985 0.454 11.573 1.00 23.12 H new ATOM 0 HD2 LYS A 65 -5.203 0.951 12.412 1.00 54.20 H new ATOM 0 HD3 LYS A 65 -4.278 2.439 12.403 1.00 54.20 H new ATOM 0 HE2 LYS A 65 -5.347 3.139 10.299 1.00 63.52 H new ATOM 0 HE3 LYS A 65 -6.200 1.612 10.191 1.00 63.52 H new ATOM 0 HZ1 LYS A 65 -7.615 3.347 11.074 1.00 61.13 H new ATOM 0 HZ2 LYS A 65 -7.363 2.148 12.251 1.00 61.13 H new ATOM 0 HZ3 LYS A 65 -6.536 3.627 12.355 1.00 61.13 H new ATOM 1043 N VAL A 66 -0.168 3.112 9.027 1.00 33.11 N ATOM 1044 CA VAL A 66 0.655 4.133 8.369 1.00 12.44 C ATOM 1045 C VAL A 66 1.582 3.502 7.310 1.00 24.01 C ATOM 1046 O VAL A 66 1.870 4.111 6.277 1.00 12.24 O ATOM 1047 CB VAL A 66 1.491 4.941 9.395 1.00 40.51 C ATOM 1048 CG1 VAL A 66 2.324 6.017 8.700 1.00 44.42 C ATOM 1049 CG2 VAL A 66 0.584 5.562 10.457 1.00 51.15 C ATOM 0 H VAL A 66 0.026 2.986 10.020 1.00 33.11 H new ATOM 0 HA VAL A 66 -0.027 4.821 7.870 1.00 12.44 H new ATOM 0 HB VAL A 66 2.177 4.252 9.888 1.00 40.51 H new ATOM 0 HG11 VAL A 66 2.900 6.568 9.443 1.00 44.42 H new ATOM 0 HG12 VAL A 66 3.004 5.548 7.989 1.00 44.42 H new ATOM 0 HG13 VAL A 66 1.663 6.704 8.171 1.00 44.42 H new ATOM 0 HG21 VAL A 66 1.189 6.125 11.168 1.00 51.15 H new ATOM 0 HG22 VAL A 66 -0.131 6.231 9.979 1.00 51.15 H new ATOM 0 HG23 VAL A 66 0.046 4.773 10.983 1.00 51.15 H new ATOM 1059 N ALA A 67 2.031 2.272 7.563 1.00 3.41 N ATOM 1060 CA ALA A 67 2.796 1.508 6.569 1.00 44.43 C ATOM 1061 C ALA A 67 1.940 1.231 5.321 1.00 23.24 C ATOM 1062 O ALA A 67 2.390 1.420 4.190 1.00 61.54 O ATOM 1063 CB ALA A 67 3.300 0.204 7.175 1.00 14.25 C ATOM 0 H ALA A 67 1.880 1.782 8.445 1.00 3.41 H new ATOM 0 HA ALA A 67 3.657 2.103 6.265 1.00 44.43 H new ATOM 0 HB1 ALA A 67 3.865 -0.351 6.426 1.00 14.25 H new ATOM 0 HB2 ALA A 67 3.944 0.424 8.026 1.00 14.25 H new ATOM 0 HB3 ALA A 67 2.452 -0.395 7.507 1.00 14.25 H new ATOM 1069 N LYS A 68 0.698 0.790 5.540 1.00 4.40 N ATOM 1070 CA LYS A 68 -0.273 0.621 4.451 1.00 24.04 C ATOM 1071 C LYS A 68 -0.527 1.955 3.733 1.00 31.44 C ATOM 1072 O LYS A 68 -0.777 1.986 2.530 1.00 35.12 O ATOM 1073 CB LYS A 68 -1.601 0.056 4.988 1.00 5.42 C ATOM 1074 CG LYS A 68 -1.522 -1.400 5.435 1.00 50.51 C ATOM 1075 CD LYS A 68 -2.795 -1.856 6.146 1.00 14.42 C ATOM 1076 CE LYS A 68 -4.028 -1.745 5.254 1.00 21.42 C ATOM 1077 NZ LYS A 68 -5.254 -2.227 5.942 1.00 34.42 N ATOM 0 H LYS A 68 0.339 0.543 6.462 1.00 4.40 H new ATOM 0 HA LYS A 68 0.148 -0.086 3.736 1.00 24.04 H new ATOM 0 HB2 LYS A 68 -1.929 0.666 5.830 1.00 5.42 H new ATOM 0 HB3 LYS A 68 -2.362 0.146 4.213 1.00 5.42 H new ATOM 0 HG2 LYS A 68 -1.345 -2.035 4.567 1.00 50.51 H new ATOM 0 HG3 LYS A 68 -0.670 -1.528 6.102 1.00 50.51 H new ATOM 0 HD2 LYS A 68 -2.676 -2.890 6.471 1.00 14.42 H new ATOM 0 HD3 LYS A 68 -2.943 -1.255 7.043 1.00 14.42 H new ATOM 0 HE2 LYS A 68 -4.165 -0.707 4.952 1.00 21.42 H new ATOM 0 HE3 LYS A 68 -3.871 -2.324 4.344 1.00 21.42 H new ATOM 0 HZ1 LYS A 68 -6.069 -2.135 5.303 1.00 34.42 H new ATOM 0 HZ2 LYS A 68 -5.133 -3.225 6.208 1.00 34.42 H new ATOM 0 HZ3 LYS A 68 -5.418 -1.658 6.797 1.00 34.42 H new ATOM 1091 N ALA A 69 -0.464 3.055 4.484 1.00 40.30 N ATOM 1092 CA ALA A 69 -0.615 4.394 3.909 1.00 62.54 C ATOM 1093 C ALA A 69 0.512 4.711 2.915 1.00 44.10 C ATOM 1094 O ALA A 69 0.258 5.204 1.816 1.00 54.21 O ATOM 1095 CB ALA A 69 -0.671 5.442 5.015 1.00 4.12 C ATOM 0 H ALA A 69 -0.309 3.046 5.492 1.00 40.30 H new ATOM 0 HA ALA A 69 -1.554 4.418 3.357 1.00 62.54 H new ATOM 0 HB1 ALA A 69 -0.783 6.432 4.573 1.00 4.12 H new ATOM 0 HB2 ALA A 69 -1.520 5.238 5.667 1.00 4.12 H new ATOM 0 HB3 ALA A 69 0.250 5.407 5.597 1.00 4.12 H new ATOM 1101 N TYR A 70 1.759 4.427 3.303 1.00 41.30 N ATOM 1102 CA TYR A 70 2.905 4.610 2.402 1.00 62.43 C ATOM 1103 C TYR A 70 2.841 3.640 1.215 1.00 50.22 C ATOM 1104 O TYR A 70 3.136 4.017 0.082 1.00 44.04 O ATOM 1105 CB TYR A 70 4.237 4.439 3.151 1.00 3.31 C ATOM 1106 CG TYR A 70 4.574 5.601 4.068 1.00 31.21 C ATOM 1107 CD1 TYR A 70 4.979 6.826 3.547 1.00 43.30 C ATOM 1108 CD2 TYR A 70 4.485 5.477 5.449 1.00 14.34 C ATOM 1109 CE1 TYR A 70 5.283 7.890 4.377 1.00 60.35 C ATOM 1110 CE2 TYR A 70 4.785 6.536 6.283 1.00 74.43 C ATOM 1111 CZ TYR A 70 5.186 7.739 5.745 1.00 24.43 C ATOM 1112 OH TYR A 70 5.479 8.795 6.578 1.00 1.14 O ATOM 0 H TYR A 70 2.002 4.072 4.228 1.00 41.30 H new ATOM 0 HA TYR A 70 2.853 5.629 2.018 1.00 62.43 H new ATOM 0 HB2 TYR A 70 4.198 3.522 3.740 1.00 3.31 H new ATOM 0 HB3 TYR A 70 5.040 4.317 2.424 1.00 3.31 H new ATOM 0 HD1 TYR A 70 5.057 6.948 2.477 1.00 43.30 H new ATOM 0 HD2 TYR A 70 4.176 4.535 5.878 1.00 14.34 H new ATOM 0 HE1 TYR A 70 5.595 8.835 3.956 1.00 60.35 H new ATOM 0 HE2 TYR A 70 4.705 6.421 7.354 1.00 74.43 H new ATOM 0 HH TYR A 70 5.359 8.519 7.511 1.00 1.14 H new ATOM 1122 N ALA A 71 2.450 2.392 1.480 1.00 5.41 N ATOM 1123 CA ALA A 71 2.286 1.388 0.420 1.00 11.51 C ATOM 1124 C ALA A 71 1.245 1.836 -0.618 1.00 44.41 C ATOM 1125 O ALA A 71 1.471 1.756 -1.827 1.00 2.22 O ATOM 1126 CB ALA A 71 1.894 0.039 1.022 1.00 74.54 C ATOM 0 H ALA A 71 2.241 2.050 2.418 1.00 5.41 H new ATOM 0 HA ALA A 71 3.242 1.281 -0.092 1.00 11.51 H new ATOM 0 HB1 ALA A 71 1.776 -0.695 0.225 1.00 74.54 H new ATOM 0 HB2 ALA A 71 2.673 -0.293 1.709 1.00 74.54 H new ATOM 0 HB3 ALA A 71 0.953 0.142 1.563 1.00 74.54 H new ATOM 1132 N ALA A 72 0.105 2.320 -0.128 1.00 22.31 N ATOM 1133 CA ALA A 72 -0.959 2.834 -0.990 1.00 12.43 C ATOM 1134 C ALA A 72 -0.508 4.094 -1.745 1.00 20.15 C ATOM 1135 O ALA A 72 -0.722 4.218 -2.952 1.00 35.20 O ATOM 1136 CB ALA A 72 -2.207 3.120 -0.167 1.00 42.22 C ATOM 0 H ALA A 72 -0.107 2.367 0.869 1.00 22.31 H new ATOM 0 HA ALA A 72 -1.193 2.071 -1.732 1.00 12.43 H new ATOM 0 HB1 ALA A 72 -2.993 3.502 -0.819 1.00 42.22 H new ATOM 0 HB2 ALA A 72 -2.547 2.201 0.310 1.00 42.22 H new ATOM 0 HB3 ALA A 72 -1.977 3.862 0.597 1.00 42.22 H new ATOM 1142 N LEU A 73 0.117 5.030 -1.027 1.00 4.25 N ATOM 1143 CA LEU A 73 0.673 6.239 -1.648 1.00 24.22 C ATOM 1144 C LEU A 73 1.765 5.897 -2.671 1.00 15.51 C ATOM 1145 O LEU A 73 1.953 6.617 -3.648 1.00 1.12 O ATOM 1146 CB LEU A 73 1.221 7.202 -0.580 1.00 43.51 C ATOM 1147 CG LEU A 73 0.182 8.139 0.053 1.00 4.25 C ATOM 1148 CD1 LEU A 73 0.810 8.969 1.166 1.00 40.23 C ATOM 1149 CD2 LEU A 73 -0.441 9.049 -1.005 1.00 25.52 C ATOM 0 H LEU A 73 0.252 4.976 -0.017 1.00 4.25 H new ATOM 0 HA LEU A 73 -0.140 6.735 -2.179 1.00 24.22 H new ATOM 0 HB2 LEU A 73 1.686 6.614 0.211 1.00 43.51 H new ATOM 0 HB3 LEU A 73 2.007 7.809 -1.030 1.00 43.51 H new ATOM 0 HG LEU A 73 -0.607 7.525 0.487 1.00 4.25 H new ATOM 0 HD11 LEU A 73 0.056 9.625 1.600 1.00 40.23 H new ATOM 0 HD12 LEU A 73 1.202 8.306 1.938 1.00 40.23 H new ATOM 0 HD13 LEU A 73 1.622 9.570 0.758 1.00 40.23 H new ATOM 0 HD21 LEU A 73 -1.174 9.705 -0.535 1.00 25.52 H new ATOM 0 HD22 LEU A 73 0.338 9.652 -1.471 1.00 25.52 H new ATOM 0 HD23 LEU A 73 -0.932 8.441 -1.764 1.00 25.52 H new ATOM 1161 N ALA A 74 2.486 4.802 -2.440 1.00 53.35 N ATOM 1162 CA ALA A 74 3.464 4.306 -3.409 1.00 45.15 C ATOM 1163 C ALA A 74 2.776 3.922 -4.726 1.00 45.01 C ATOM 1164 O ALA A 74 3.263 4.234 -5.813 1.00 42.51 O ATOM 1165 CB ALA A 74 4.224 3.116 -2.833 1.00 74.22 C ATOM 0 H ALA A 74 2.412 4.241 -1.591 1.00 53.35 H new ATOM 0 HA ALA A 74 4.177 5.103 -3.619 1.00 45.15 H new ATOM 0 HB1 ALA A 74 4.948 2.758 -3.565 1.00 74.22 H new ATOM 0 HB2 ALA A 74 4.746 3.422 -1.926 1.00 74.22 H new ATOM 0 HB3 ALA A 74 3.522 2.317 -2.595 1.00 74.22 H new ATOM 1171 N ALA A 75 1.632 3.248 -4.615 1.00 21.13 N ATOM 1172 CA ALA A 75 0.826 2.885 -5.782 1.00 11.31 C ATOM 1173 C ALA A 75 0.236 4.129 -6.466 1.00 70.32 C ATOM 1174 O ALA A 75 0.289 4.259 -7.688 1.00 63.51 O ATOM 1175 CB ALA A 75 -0.285 1.926 -5.374 1.00 31.42 C ATOM 0 H ALA A 75 1.240 2.941 -3.725 1.00 21.13 H new ATOM 0 HA ALA A 75 1.478 2.389 -6.501 1.00 11.31 H new ATOM 0 HB1 ALA A 75 -0.878 1.663 -6.250 1.00 31.42 H new ATOM 0 HB2 ALA A 75 0.152 1.023 -4.947 1.00 31.42 H new ATOM 0 HB3 ALA A 75 -0.925 2.405 -4.633 1.00 31.42 H new ATOM 1181 N LEU A 76 -0.318 5.041 -5.668 1.00 52.13 N ATOM 1182 CA LEU A 76 -0.880 6.295 -6.190 1.00 71.03 C ATOM 1183 C LEU A 76 0.187 7.132 -6.921 1.00 1.45 C ATOM 1184 O LEU A 76 0.056 7.412 -8.107 1.00 3.11 O ATOM 1185 CB LEU A 76 -1.500 7.114 -5.046 1.00 61.44 C ATOM 1186 CG LEU A 76 -2.703 6.464 -4.334 1.00 21.31 C ATOM 1187 CD1 LEU A 76 -3.096 7.265 -3.095 1.00 73.52 C ATOM 1188 CD2 LEU A 76 -3.896 6.334 -5.281 1.00 44.13 C ATOM 0 H LEU A 76 -0.392 4.939 -4.656 1.00 52.13 H new ATOM 0 HA LEU A 76 -1.656 6.038 -6.911 1.00 71.03 H new ATOM 0 HB2 LEU A 76 -0.726 7.312 -4.305 1.00 61.44 H new ATOM 0 HB3 LEU A 76 -1.815 8.079 -5.444 1.00 61.44 H new ATOM 0 HG LEU A 76 -2.404 5.464 -4.021 1.00 21.31 H new ATOM 0 HD11 LEU A 76 -3.947 6.788 -2.608 1.00 73.52 H new ATOM 0 HD12 LEU A 76 -2.255 7.300 -2.403 1.00 73.52 H new ATOM 0 HD13 LEU A 76 -3.367 8.279 -3.388 1.00 73.52 H new ATOM 0 HD21 LEU A 76 -4.731 5.873 -4.753 1.00 44.13 H new ATOM 0 HD22 LEU A 76 -4.191 7.323 -5.633 1.00 44.13 H new ATOM 0 HD23 LEU A 76 -3.618 5.714 -6.133 1.00 44.13 H new ATOM 1200 N GLU A 77 1.258 7.495 -6.218 1.00 34.53 N ATOM 1201 CA GLU A 77 2.334 8.326 -6.792 1.00 72.31 C ATOM 1202 C GLU A 77 3.010 7.666 -8.009 1.00 71.20 C ATOM 1203 O GLU A 77 3.659 8.342 -8.811 1.00 63.13 O ATOM 1204 CB GLU A 77 3.393 8.631 -5.721 1.00 12.12 C ATOM 1205 CG GLU A 77 2.900 9.535 -4.592 1.00 32.00 C ATOM 1206 CD GLU A 77 2.690 10.977 -5.036 1.00 2.11 C ATOM 1207 OE1 GLU A 77 3.698 11.660 -5.321 1.00 61.11 O ATOM 1208 OE2 GLU A 77 1.530 11.439 -5.086 1.00 5.00 O ATOM 0 H GLU A 77 1.411 7.229 -5.245 1.00 34.53 H new ATOM 0 HA GLU A 77 1.869 9.250 -7.137 1.00 72.31 H new ATOM 0 HB2 GLU A 77 3.742 7.691 -5.293 1.00 12.12 H new ATOM 0 HB3 GLU A 77 4.252 9.102 -6.199 1.00 12.12 H new ATOM 0 HG2 GLU A 77 1.962 9.140 -4.201 1.00 32.00 H new ATOM 0 HG3 GLU A 77 3.621 9.513 -3.775 1.00 32.00 H new ATOM 1215 N LYS A 78 2.880 6.348 -8.140 1.00 11.22 N ATOM 1216 CA LYS A 78 3.490 5.620 -9.260 1.00 32.40 C ATOM 1217 C LYS A 78 2.510 5.485 -10.444 1.00 32.12 C ATOM 1218 O LYS A 78 2.873 5.741 -11.593 1.00 11.31 O ATOM 1219 CB LYS A 78 3.966 4.234 -8.776 1.00 41.22 C ATOM 1220 CG LYS A 78 4.959 3.523 -9.703 1.00 51.24 C ATOM 1221 CD LYS A 78 4.286 2.872 -10.910 1.00 3.10 C ATOM 1222 CE LYS A 78 5.287 2.105 -11.763 1.00 10.02 C ATOM 1223 NZ LYS A 78 6.357 2.985 -12.303 1.00 32.01 N ATOM 0 H LYS A 78 2.360 5.760 -7.489 1.00 11.22 H new ATOM 0 HA LYS A 78 4.349 6.187 -9.618 1.00 32.40 H new ATOM 0 HB2 LYS A 78 4.428 4.348 -7.795 1.00 41.22 H new ATOM 0 HB3 LYS A 78 3.094 3.594 -8.645 1.00 41.22 H new ATOM 0 HG2 LYS A 78 5.701 4.241 -10.051 1.00 51.24 H new ATOM 0 HG3 LYS A 78 5.494 2.761 -9.137 1.00 51.24 H new ATOM 0 HD2 LYS A 78 3.503 2.195 -10.569 1.00 3.10 H new ATOM 0 HD3 LYS A 78 3.803 3.639 -11.516 1.00 3.10 H new ATOM 0 HE2 LYS A 78 5.738 1.312 -11.166 1.00 10.02 H new ATOM 0 HE3 LYS A 78 4.764 1.624 -12.589 1.00 10.02 H new ATOM 0 HZ1 LYS A 78 6.914 2.462 -13.008 1.00 32.01 H new ATOM 0 HZ2 LYS A 78 5.927 3.819 -12.751 1.00 32.01 H new ATOM 0 HZ3 LYS A 78 6.979 3.290 -11.528 1.00 32.01 H new ATOM 1237 N LEU A 79 1.271 5.087 -10.155 1.00 73.34 N ATOM 1238 CA LEU A 79 0.263 4.844 -11.199 1.00 73.34 C ATOM 1239 C LEU A 79 -0.567 6.105 -11.507 1.00 64.12 C ATOM 1240 O LEU A 79 -0.790 6.447 -12.671 1.00 61.41 O ATOM 1241 CB LEU A 79 -0.672 3.699 -10.778 1.00 23.24 C ATOM 1242 CG LEU A 79 0.022 2.365 -10.455 1.00 1.40 C ATOM 1243 CD1 LEU A 79 -1.000 1.302 -10.057 1.00 72.23 C ATOM 1244 CD2 LEU A 79 0.864 1.889 -11.636 1.00 13.03 C ATOM 0 H LEU A 79 0.936 4.924 -9.205 1.00 73.34 H new ATOM 0 HA LEU A 79 0.798 4.567 -12.107 1.00 73.34 H new ATOM 0 HB2 LEU A 79 -1.236 4.017 -9.901 1.00 23.24 H new ATOM 0 HB3 LEU A 79 -1.394 3.529 -11.577 1.00 23.24 H new ATOM 0 HG LEU A 79 0.688 2.529 -9.608 1.00 1.40 H new ATOM 0 HD11 LEU A 79 -0.485 0.368 -9.833 1.00 72.23 H new ATOM 0 HD12 LEU A 79 -1.547 1.635 -9.175 1.00 72.23 H new ATOM 0 HD13 LEU A 79 -1.699 1.143 -10.878 1.00 72.23 H new ATOM 0 HD21 LEU A 79 1.345 0.944 -11.383 1.00 13.03 H new ATOM 0 HD22 LEU A 79 0.223 1.749 -12.507 1.00 13.03 H new ATOM 0 HD23 LEU A 79 1.626 2.634 -11.863 1.00 13.03 H new ATOM 1256 N PHE A 80 -1.019 6.798 -10.458 1.00 5.35 N ATOM 1257 CA PHE A 80 -1.875 7.990 -10.610 1.00 10.01 C ATOM 1258 C PHE A 80 -1.263 9.214 -9.892 1.00 63.52 C ATOM 1259 O PHE A 80 -1.878 9.776 -8.987 1.00 35.12 O ATOM 1260 CB PHE A 80 -3.277 7.709 -10.032 1.00 22.02 C ATOM 1261 CG PHE A 80 -3.808 6.332 -10.342 1.00 40.22 C ATOM 1262 CD1 PHE A 80 -4.303 6.025 -11.602 1.00 21.03 C ATOM 1263 CD2 PHE A 80 -3.813 5.344 -9.366 1.00 24.43 C ATOM 1264 CE1 PHE A 80 -4.792 4.762 -11.881 1.00 65.42 C ATOM 1265 CE2 PHE A 80 -4.300 4.081 -9.640 1.00 65.21 C ATOM 1266 CZ PHE A 80 -4.792 3.789 -10.899 1.00 74.40 C ATOM 0 H PHE A 80 -0.809 6.557 -9.489 1.00 5.35 H new ATOM 0 HA PHE A 80 -1.951 8.214 -11.674 1.00 10.01 H new ATOM 0 HB2 PHE A 80 -3.245 7.839 -8.950 1.00 22.02 H new ATOM 0 HB3 PHE A 80 -3.974 8.451 -10.421 1.00 22.02 H new ATOM 0 HD1 PHE A 80 -4.306 6.781 -12.373 1.00 21.03 H new ATOM 0 HD2 PHE A 80 -3.431 5.566 -8.380 1.00 24.43 H new ATOM 0 HE1 PHE A 80 -5.174 4.536 -12.866 1.00 65.42 H new ATOM 0 HE2 PHE A 80 -4.297 3.322 -8.872 1.00 65.21 H new ATOM 0 HZ PHE A 80 -5.176 2.803 -11.115 1.00 74.40 H new