USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 43 TYR OH : rot 79:sc= 0.0631 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -162:sc= 0.0712 (180deg=0.0354) USER MOD Set 2.1: A 24 MET CE :methyl 167:sc= 0 (180deg=-0.175) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -120:sc=-0.00916 (180deg=-0.145) USER MOD Single : A 22 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.8) USER MOD Single : A 23 SER OG : rot -130:sc= -0.309 USER MOD Single : A 25 ASN : amide:sc=-0.00239 K(o=-0.0024,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.0656 (180deg=-0.396) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.03 K(o=-3,f=-6.5!) USER MOD Single : A 50 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 54 CYS SG : rot 134:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 56 MET CE :methyl -160:sc= -0.613 (180deg=-2.01!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.1) USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= -0.813! (180deg=-1.9) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0388 K(o=-0.039,f=-0.73) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.79! K(o=-2.8!,f=-1.2) USER MOD Single : A 87 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.877 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.484 1.149 -11.351 1.00 0.00 N ATOM 247 CA ASP A 19 0.153 1.340 -10.786 1.00 0.00 C ATOM 248 C ASP A 19 0.238 1.928 -9.382 1.00 0.00 C ATOM 249 O ASP A 19 -0.508 2.844 -9.035 1.00 0.00 O ATOM 250 CB ASP A 19 -0.605 0.012 -10.751 1.00 0.00 C ATOM 251 CG ASP A 19 -1.002 -0.465 -12.134 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.499 0.105 -13.126 1.00 0.00 O ATOM 253 OD2 ASP A 19 -1.814 -1.409 -12.226 1.00 0.00 O ATOM 0 HA ASP A 19 -0.387 2.041 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.017 -0.745 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.499 0.124 -10.138 1.00 0.00 H new ATOM 258 N PHE A 20 1.151 1.395 -8.577 1.00 0.00 N ATOM 259 CA PHE A 20 1.333 1.866 -7.209 1.00 0.00 C ATOM 260 C PHE A 20 1.674 3.353 -7.186 1.00 0.00 C ATOM 261 O PHE A 20 0.967 4.153 -6.573 1.00 0.00 O ATOM 262 CB PHE A 20 2.438 1.068 -6.514 1.00 0.00 C ATOM 263 CG PHE A 20 2.621 1.430 -5.068 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.463 2.467 -4.701 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.951 0.733 -4.075 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.634 2.803 -3.371 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.118 1.065 -2.744 1.00 0.00 C ATOM 268 CZ PHE A 20 2.961 2.101 -2.392 1.00 0.00 C ATOM 0 H PHE A 20 1.777 0.636 -8.848 1.00 0.00 H new ATOM 0 HA PHE A 20 0.395 1.717 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.208 0.005 -6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.378 1.229 -7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.992 3.020 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.291 -0.078 -4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.293 3.614 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.590 0.515 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.093 2.361 -1.352 1.00 0.00 H new ATOM 278 N GLU A 21 2.762 3.715 -7.858 1.00 0.00 N ATOM 279 CA GLU A 21 3.198 5.106 -7.914 1.00 0.00 C ATOM 280 C GLU A 21 2.036 6.026 -8.279 1.00 0.00 C ATOM 281 O GLU A 21 2.035 7.207 -7.938 1.00 0.00 O ATOM 282 CB GLU A 21 4.330 5.268 -8.930 1.00 0.00 C ATOM 283 CG GLU A 21 5.714 5.055 -8.338 1.00 0.00 C ATOM 284 CD GLU A 21 6.791 5.820 -9.082 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.689 5.933 -10.322 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.735 6.305 -8.426 1.00 0.00 O ATOM 0 H GLU A 21 3.358 3.065 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 21 3.564 5.386 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.180 4.560 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.279 6.267 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.710 5.365 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.952 3.991 -8.354 1.00 0.00 H new ATOM 293 N ASN A 22 1.049 5.473 -8.977 1.00 0.00 N ATOM 294 CA ASN A 22 -0.119 6.243 -9.390 1.00 0.00 C ATOM 295 C ASN A 22 -1.119 6.371 -8.246 1.00 0.00 C ATOM 296 O ASN A 22 -1.635 7.456 -7.976 1.00 0.00 O ATOM 297 CB ASN A 22 -0.789 5.584 -10.597 1.00 0.00 C ATOM 298 CG ASN A 22 0.026 5.738 -11.867 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.649 6.775 -12.096 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.025 4.703 -12.699 1.00 0.00 N ATOM 0 H ASN A 22 1.035 4.496 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 22 0.216 7.242 -9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.940 4.524 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.775 6.023 -10.746 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.555 4.748 -13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.506 3.863 -12.468 1.00 0.00 H new ATOM 307 N SER A 23 -1.389 5.256 -7.575 1.00 0.00 N ATOM 308 CA SER A 23 -2.330 5.242 -6.461 1.00 0.00 C ATOM 309 C SER A 23 -1.858 6.162 -5.340 1.00 0.00 C ATOM 310 O SER A 23 -2.586 7.055 -4.907 1.00 0.00 O ATOM 311 CB SER A 23 -2.501 3.818 -5.929 1.00 0.00 C ATOM 312 OG SER A 23 -3.139 2.989 -6.885 1.00 0.00 O ATOM 0 H SER A 23 -0.969 4.350 -7.783 1.00 0.00 H new ATOM 0 HA SER A 23 -3.291 5.605 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.526 3.402 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.088 3.838 -5.011 1.00 0.00 H new ATOM 0 HG SER A 23 -3.884 2.514 -6.461 1.00 0.00 H new ATOM 318 N MET A 24 -0.634 5.937 -4.873 1.00 0.00 N ATOM 319 CA MET A 24 -0.064 6.747 -3.803 1.00 0.00 C ATOM 320 C MET A 24 -0.186 8.234 -4.121 1.00 0.00 C ATOM 321 O MET A 24 -0.407 9.053 -3.230 1.00 0.00 O ATOM 322 CB MET A 24 1.405 6.380 -3.584 1.00 0.00 C ATOM 323 CG MET A 24 2.247 6.464 -4.847 1.00 0.00 C ATOM 324 SD MET A 24 3.964 6.899 -4.510 1.00 0.00 S ATOM 325 CE MET A 24 4.248 8.152 -5.757 1.00 0.00 C ATOM 0 H MET A 24 -0.018 5.201 -5.219 1.00 0.00 H new ATOM 0 HA MET A 24 -0.623 6.542 -2.890 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.828 7.044 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.462 5.367 -3.185 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.214 5.506 -5.365 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.814 7.205 -5.519 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.176 8.680 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.323 7.680 -6.737 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.419 8.860 -5.757 1.00 0.00 H new ATOM 335 N ASN A 25 -0.041 8.575 -5.398 1.00 0.00 N ATOM 336 CA ASN A 25 -0.135 9.964 -5.833 1.00 0.00 C ATOM 337 C ASN A 25 -1.537 10.515 -5.594 1.00 0.00 C ATOM 338 O ASN A 25 -1.701 11.602 -5.040 1.00 0.00 O ATOM 339 CB ASN A 25 0.225 10.081 -7.316 1.00 0.00 C ATOM 340 CG ASN A 25 0.355 11.523 -7.767 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.500 12.430 -6.948 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.304 11.740 -9.076 1.00 0.00 N ATOM 0 H ASN A 25 0.142 7.909 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 25 0.572 10.551 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.164 9.559 -7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.540 9.584 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.386 12.690 -9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.183 10.957 -9.718 1.00 0.00 H new ATOM 349 N GLN A 26 -2.545 9.758 -6.016 1.00 0.00 N ATOM 350 CA GLN A 26 -3.933 10.171 -5.847 1.00 0.00 C ATOM 351 C GLN A 26 -4.218 10.542 -4.396 1.00 0.00 C ATOM 352 O GLN A 26 -4.890 11.536 -4.118 1.00 0.00 O ATOM 353 CB GLN A 26 -4.878 9.055 -6.296 1.00 0.00 C ATOM 354 CG GLN A 26 -4.683 8.639 -7.745 1.00 0.00 C ATOM 355 CD GLN A 26 -5.740 7.661 -8.219 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.565 6.446 -8.125 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.846 8.187 -8.732 1.00 0.00 N ATOM 0 H GLN A 26 -2.426 8.856 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.102 11.051 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.731 8.186 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.908 9.384 -6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.703 9.525 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.698 8.187 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.949 9.200 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.592 7.578 -9.067 1.00 0.00 H new ATOM 366 N VAL A 27 -3.704 9.736 -3.472 1.00 0.00 N ATOM 367 CA VAL A 27 -3.903 9.979 -2.048 1.00 0.00 C ATOM 368 C VAL A 27 -3.201 11.258 -1.606 1.00 0.00 C ATOM 369 O VAL A 27 -3.542 11.844 -0.578 1.00 0.00 O ATOM 370 CB VAL A 27 -3.385 8.802 -1.200 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.624 9.064 0.279 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.046 7.502 -1.633 1.00 0.00 C ATOM 0 H VAL A 27 -3.146 8.909 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.977 10.085 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.311 8.707 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.252 8.222 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.100 9.972 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.692 9.186 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.668 6.681 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.125 7.582 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.818 7.310 -2.682 1.00 0.00 H new ATOM 382 N LYS A 28 -2.217 11.687 -2.389 1.00 0.00 N ATOM 383 CA LYS A 28 -1.466 12.898 -2.081 1.00 0.00 C ATOM 384 C LYS A 28 -2.105 14.117 -2.739 1.00 0.00 C ATOM 385 O LYS A 28 -1.833 15.256 -2.356 1.00 0.00 O ATOM 386 CB LYS A 28 -0.015 12.756 -2.547 1.00 0.00 C ATOM 387 CG LYS A 28 0.775 11.720 -1.766 1.00 0.00 C ATOM 388 CD LYS A 28 2.272 11.962 -1.876 1.00 0.00 C ATOM 389 CE LYS A 28 2.808 11.530 -3.232 1.00 0.00 C ATOM 390 NZ LYS A 28 2.841 10.047 -3.369 1.00 0.00 N ATOM 0 H LYS A 28 -1.921 11.213 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.482 13.040 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.006 12.487 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.482 13.722 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.477 11.748 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.538 10.723 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.483 13.020 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.789 11.415 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.186 11.954 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.813 11.930 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.819 9.736 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.485 9.610 -2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.242 9.759 -4.169 1.00 0.00 H new ATOM 519 N ASN A 36 -7.416 9.380 10.362 1.00 0.00 N ATOM 520 CA ASN A 36 -6.247 8.642 10.827 1.00 0.00 C ATOM 521 C ASN A 36 -6.403 7.149 10.556 1.00 0.00 C ATOM 522 O ASN A 36 -5.417 6.417 10.479 1.00 0.00 O ATOM 523 CB ASN A 36 -6.030 8.880 12.323 1.00 0.00 C ATOM 524 CG ASN A 36 -5.309 10.184 12.603 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.786 11.260 12.242 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.153 10.094 13.249 1.00 0.00 N ATOM 0 HA ASN A 36 -5.378 9.004 10.278 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.994 8.885 12.831 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.455 8.053 12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.622 10.938 13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.795 9.181 13.529 1.00 0.00 H new ATOM 533 N GLU A 37 -7.648 6.707 10.410 1.00 0.00 N ATOM 534 CA GLU A 37 -7.932 5.301 10.147 1.00 0.00 C ATOM 535 C GLU A 37 -7.308 4.857 8.827 1.00 0.00 C ATOM 536 O GLU A 37 -6.606 3.848 8.767 1.00 0.00 O ATOM 537 CB GLU A 37 -9.443 5.060 10.115 1.00 0.00 C ATOM 538 CG GLU A 37 -9.824 3.617 9.833 1.00 0.00 C ATOM 539 CD GLU A 37 -9.785 2.749 11.076 1.00 0.00 C ATOM 540 OE1 GLU A 37 -8.926 2.999 11.947 1.00 0.00 O ATOM 541 OE2 GLU A 37 -10.614 1.820 11.178 1.00 0.00 O ATOM 0 H GLU A 37 -8.475 7.301 10.469 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.494 4.712 10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.870 5.359 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.888 5.700 9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.826 3.587 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.145 3.205 9.086 1.00 0.00 H new ATOM 548 N VAL A 38 -7.570 5.619 7.770 1.00 0.00 N ATOM 549 CA VAL A 38 -7.034 5.306 6.450 1.00 0.00 C ATOM 550 C VAL A 38 -5.566 5.704 6.345 1.00 0.00 C ATOM 551 O VAL A 38 -4.759 4.991 5.747 1.00 0.00 O ATOM 552 CB VAL A 38 -7.828 6.018 5.339 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.958 7.503 5.641 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.167 5.797 3.987 1.00 0.00 C ATOM 0 H VAL A 38 -8.150 6.457 7.802 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.126 4.228 6.318 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.830 5.591 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.522 7.988 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.480 7.637 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.966 7.949 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.741 6.307 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.153 6.196 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.133 4.730 3.769 1.00 0.00 H new ATOM 564 N LYS A 39 -5.225 6.847 6.929 1.00 0.00 N ATOM 565 CA LYS A 39 -3.853 7.341 6.904 1.00 0.00 C ATOM 566 C LYS A 39 -2.885 6.286 7.429 1.00 0.00 C ATOM 567 O LYS A 39 -1.680 6.358 7.186 1.00 0.00 O ATOM 568 CB LYS A 39 -3.733 8.618 7.738 1.00 0.00 C ATOM 569 CG LYS A 39 -4.476 9.804 7.145 1.00 0.00 C ATOM 570 CD LYS A 39 -4.947 10.763 8.225 1.00 0.00 C ATOM 571 CE LYS A 39 -5.081 12.181 7.691 1.00 0.00 C ATOM 572 NZ LYS A 39 -3.758 12.771 7.345 1.00 0.00 N ATOM 0 H LYS A 39 -5.881 7.450 7.426 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.593 7.565 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.115 8.425 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.679 8.876 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.825 10.331 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.333 9.449 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.908 10.428 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.242 10.751 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.719 12.177 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.573 12.805 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.821 13.809 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.043 12.444 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.485 12.473 6.387 1.00 0.00 H new ATOM 586 N LEU A 40 -3.420 5.305 8.148 1.00 0.00 N ATOM 587 CA LEU A 40 -2.603 4.233 8.706 1.00 0.00 C ATOM 588 C LEU A 40 -2.598 3.016 7.786 1.00 0.00 C ATOM 589 O LEU A 40 -1.568 2.367 7.603 1.00 0.00 O ATOM 590 CB LEU A 40 -3.122 3.837 10.090 1.00 0.00 C ATOM 591 CG LEU A 40 -2.793 4.800 11.231 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.683 4.527 12.434 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.325 4.691 11.615 1.00 0.00 C ATOM 0 H LEU A 40 -4.415 5.230 8.358 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.581 4.600 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.205 3.730 10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.717 2.856 10.341 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.983 5.817 10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.434 5.222 13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.727 4.658 12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.526 3.505 12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.109 5.384 12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.108 3.673 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.704 4.938 10.754 1.00 0.00 H new ATOM 605 N LYS A 41 -3.754 2.715 7.206 1.00 0.00 N ATOM 606 CA LYS A 41 -3.884 1.579 6.300 1.00 0.00 C ATOM 607 C LYS A 41 -3.034 1.780 5.050 1.00 0.00 C ATOM 608 O LYS A 41 -2.587 0.815 4.428 1.00 0.00 O ATOM 609 CB LYS A 41 -5.349 1.378 5.907 1.00 0.00 C ATOM 610 CG LYS A 41 -5.750 2.130 4.650 1.00 0.00 C ATOM 611 CD LYS A 41 -7.253 2.086 4.429 1.00 0.00 C ATOM 612 CE LYS A 41 -7.717 0.691 4.038 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.164 0.488 4.327 1.00 0.00 N ATOM 0 H LYS A 41 -4.616 3.242 7.347 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.529 0.689 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.534 0.314 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.985 1.700 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.423 3.167 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.242 1.697 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.765 2.400 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.528 2.795 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.533 0.531 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.131 -0.052 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.442 -0.474 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.336 0.616 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.725 1.181 3.791 1.00 0.00 H new ATOM 627 N LEU A 42 -2.813 3.039 4.687 1.00 0.00 N ATOM 628 CA LEU A 42 -2.014 3.367 3.511 1.00 0.00 C ATOM 629 C LEU A 42 -0.524 3.236 3.810 1.00 0.00 C ATOM 630 O LEU A 42 0.269 2.903 2.930 1.00 0.00 O ATOM 631 CB LEU A 42 -2.328 4.787 3.037 1.00 0.00 C ATOM 632 CG LEU A 42 -3.460 4.920 2.018 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.124 4.159 0.745 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.771 4.421 2.609 1.00 0.00 C ATOM 0 H LEU A 42 -3.176 3.849 5.190 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.270 2.662 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.578 5.392 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.423 5.212 2.602 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.575 5.974 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.941 4.265 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.209 4.562 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.981 3.104 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.566 4.523 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.668 3.373 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.019 5.009 3.492 1.00 0.00 H new ATOM 646 N TYR A 43 -0.152 3.499 5.058 1.00 0.00 N ATOM 647 CA TYR A 43 1.243 3.411 5.474 1.00 0.00 C ATOM 648 C TYR A 43 1.624 1.970 5.800 1.00 0.00 C ATOM 649 O TYR A 43 2.753 1.545 5.558 1.00 0.00 O ATOM 650 CB TYR A 43 1.491 4.304 6.691 1.00 0.00 C ATOM 651 CG TYR A 43 2.546 3.767 7.631 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.214 2.877 8.645 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.877 4.148 7.504 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.174 2.384 9.507 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.844 3.659 8.361 1.00 0.00 C ATOM 656 CZ TYR A 43 4.488 2.778 9.360 1.00 0.00 C ATOM 657 OH TYR A 43 5.448 2.288 10.216 1.00 0.00 O ATOM 0 H TYR A 43 -0.797 3.775 5.799 1.00 0.00 H new ATOM 0 HA TYR A 43 1.865 3.754 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.791 5.295 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.556 4.425 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.187 2.565 8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.160 4.838 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.898 1.695 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.874 3.965 8.249 1.00 0.00 H new ATOM 0 HH TYR A 43 5.699 1.381 9.941 1.00 0.00 H new ATOM 667 N ALA A 44 0.673 1.224 6.351 1.00 0.00 N ATOM 668 CA ALA A 44 0.907 -0.170 6.708 1.00 0.00 C ATOM 669 C ALA A 44 1.383 -0.973 5.503 1.00 0.00 C ATOM 670 O ALA A 44 2.351 -1.730 5.591 1.00 0.00 O ATOM 671 CB ALA A 44 -0.358 -0.785 7.289 1.00 0.00 C ATOM 0 H ALA A 44 -0.267 1.561 6.560 1.00 0.00 H new ATOM 0 HA ALA A 44 1.692 -0.199 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.169 -1.826 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.654 -0.234 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.158 -0.736 6.551 1.00 0.00 H new ATOM 677 N LEU A 45 0.698 -0.804 4.377 1.00 0.00 N ATOM 678 CA LEU A 45 1.051 -1.515 3.153 1.00 0.00 C ATOM 679 C LEU A 45 2.346 -0.968 2.560 1.00 0.00 C ATOM 680 O LEU A 45 3.227 -1.729 2.160 1.00 0.00 O ATOM 681 CB LEU A 45 -0.080 -1.400 2.129 1.00 0.00 C ATOM 682 CG LEU A 45 -1.257 -2.358 2.320 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.761 -3.747 2.689 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.208 -1.829 3.384 1.00 0.00 C ATOM 0 H LEU A 45 -0.105 -0.181 4.286 1.00 0.00 H new ATOM 0 HA LEU A 45 1.202 -2.565 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.461 -0.379 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.338 -1.563 1.136 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.800 -2.428 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.613 -4.414 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.121 -4.128 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.193 -3.696 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.039 -2.523 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.676 -1.729 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.591 -0.855 3.078 1.00 0.00 H new ATOM 696 N TYR A 46 2.454 0.355 2.509 1.00 0.00 N ATOM 697 CA TYR A 46 3.641 1.004 1.965 1.00 0.00 C ATOM 698 C TYR A 46 4.912 0.366 2.518 1.00 0.00 C ATOM 699 O TYR A 46 5.750 -0.132 1.765 1.00 0.00 O ATOM 700 CB TYR A 46 3.624 2.499 2.288 1.00 0.00 C ATOM 701 CG TYR A 46 4.938 3.194 2.009 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.372 3.401 0.705 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.745 3.641 3.047 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.572 4.035 0.445 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.945 4.277 2.796 1.00 0.00 C ATOM 706 CZ TYR A 46 7.354 4.472 1.493 1.00 0.00 C ATOM 707 OH TYR A 46 8.550 5.104 1.239 1.00 0.00 O ATOM 0 H TYR A 46 1.734 0.999 2.838 1.00 0.00 H new ATOM 0 HA TYR A 46 3.632 0.873 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.838 2.979 1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.368 2.632 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.762 3.061 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.429 3.489 4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.896 4.187 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.560 4.620 3.615 1.00 0.00 H new ATOM 0 HH TYR A 46 8.977 5.349 2.086 1.00 0.00 H new ATOM 717 N LYS A 47 5.049 0.386 3.839 1.00 0.00 N ATOM 718 CA LYS A 47 6.216 -0.191 4.497 1.00 0.00 C ATOM 719 C LYS A 47 6.264 -1.702 4.293 1.00 0.00 C ATOM 720 O LYS A 47 7.312 -2.325 4.453 1.00 0.00 O ATOM 721 CB LYS A 47 6.196 0.132 5.992 1.00 0.00 C ATOM 722 CG LYS A 47 6.241 1.620 6.294 1.00 0.00 C ATOM 723 CD LYS A 47 7.657 2.164 6.209 1.00 0.00 C ATOM 724 CE LYS A 47 8.460 1.825 7.456 1.00 0.00 C ATOM 725 NZ LYS A 47 8.237 2.815 8.545 1.00 0.00 N ATOM 0 H LYS A 47 4.366 0.796 4.476 1.00 0.00 H new ATOM 0 HA LYS A 47 7.108 0.247 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.295 -0.293 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.046 -0.353 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.602 2.154 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.840 1.802 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.154 1.751 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.625 3.246 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.184 0.831 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.521 1.792 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.002 2.739 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.227 3.775 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.325 2.623 9.007 1.00 0.00 H new ATOM 739 N GLN A 48 5.122 -2.283 3.938 1.00 0.00 N ATOM 740 CA GLN A 48 5.035 -3.721 3.712 1.00 0.00 C ATOM 741 C GLN A 48 5.414 -4.070 2.277 1.00 0.00 C ATOM 742 O GLN A 48 5.842 -5.188 1.992 1.00 0.00 O ATOM 743 CB GLN A 48 3.622 -4.222 4.015 1.00 0.00 C ATOM 744 CG GLN A 48 3.529 -5.733 4.155 1.00 0.00 C ATOM 745 CD GLN A 48 3.745 -6.201 5.581 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.829 -5.393 6.506 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.837 -7.513 5.766 1.00 0.00 N ATOM 0 H GLN A 48 4.245 -1.780 3.801 1.00 0.00 H new ATOM 0 HA GLN A 48 5.739 -4.212 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.271 -3.758 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.952 -3.897 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.550 -6.066 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.270 -6.201 3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.762 -8.147 4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.983 -7.887 6.704 1.00 0.00 H new ATOM 756 N ALA A 49 5.254 -3.106 1.376 1.00 0.00 N ATOM 757 CA ALA A 49 5.581 -3.311 -0.029 1.00 0.00 C ATOM 758 C ALA A 49 6.955 -2.739 -0.362 1.00 0.00 C ATOM 759 O ALA A 49 7.335 -2.649 -1.530 1.00 0.00 O ATOM 760 CB ALA A 49 4.516 -2.683 -0.916 1.00 0.00 C ATOM 0 H ALA A 49 4.900 -2.175 1.595 1.00 0.00 H new ATOM 0 HA ALA A 49 5.608 -4.384 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.773 -2.844 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.550 -3.142 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.461 -1.613 -0.716 1.00 0.00 H new ATOM 766 N THR A 50 7.696 -2.352 0.671 1.00 0.00 N ATOM 767 CA THR A 50 9.027 -1.786 0.488 1.00 0.00 C ATOM 768 C THR A 50 10.022 -2.393 1.470 1.00 0.00 C ATOM 769 O THR A 50 11.165 -2.675 1.113 1.00 0.00 O ATOM 770 CB THR A 50 9.016 -0.256 0.665 1.00 0.00 C ATOM 771 OG1 THR A 50 8.405 0.089 1.913 1.00 0.00 O ATOM 772 CG2 THR A 50 8.266 0.416 -0.475 1.00 0.00 C ATOM 0 H THR A 50 7.397 -2.420 1.644 1.00 0.00 H new ATOM 0 HA THR A 50 9.335 -2.024 -0.530 1.00 0.00 H new ATOM 0 HB THR A 50 10.048 0.095 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.440 0.205 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.272 1.496 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.751 0.176 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.237 0.058 -0.494 1.00 0.00 H new ATOM 780 N GLU A 51 9.579 -2.591 2.707 1.00 0.00 N ATOM 781 CA GLU A 51 10.434 -3.165 3.741 1.00 0.00 C ATOM 782 C GLU A 51 10.044 -4.613 4.026 1.00 0.00 C ATOM 783 O GLU A 51 10.903 -5.469 4.235 1.00 0.00 O ATOM 784 CB GLU A 51 10.344 -2.339 5.025 1.00 0.00 C ATOM 785 CG GLU A 51 10.318 -0.839 4.783 1.00 0.00 C ATOM 786 CD GLU A 51 11.700 -0.262 4.546 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.154 -0.267 3.383 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.327 0.195 5.524 1.00 0.00 O ATOM 0 H GLU A 51 8.635 -2.363 3.018 1.00 0.00 H new ATOM 0 HA GLU A 51 11.462 -3.148 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.445 -2.626 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.194 -2.581 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.686 -0.625 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.864 -0.344 5.642 1.00 0.00 H new ATOM 795 N GLY A 52 8.741 -4.878 4.035 1.00 0.00 N ATOM 796 CA GLY A 52 8.260 -6.222 4.297 1.00 0.00 C ATOM 797 C GLY A 52 7.437 -6.306 5.567 1.00 0.00 C ATOM 798 O GLY A 52 6.746 -5.361 5.948 1.00 0.00 O ATOM 0 H GLY A 52 8.011 -4.187 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.657 -6.560 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.110 -6.900 4.373 1.00 0.00 H new ATOM 802 N PRO A 53 7.505 -7.462 6.245 1.00 0.00 N ATOM 803 CA PRO A 53 6.766 -7.693 7.489 1.00 0.00 C ATOM 804 C PRO A 53 7.310 -6.867 8.650 1.00 0.00 C ATOM 805 O PRO A 53 8.523 -6.712 8.798 1.00 0.00 O ATOM 806 CB PRO A 53 6.973 -9.187 7.752 1.00 0.00 C ATOM 807 CG PRO A 53 8.250 -9.519 7.060 1.00 0.00 C ATOM 808 CD PRO A 53 8.308 -8.630 5.849 1.00 0.00 C ATOM 0 HA PRO A 53 5.719 -7.402 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.035 -9.396 8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.145 -9.777 7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.105 -9.344 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.277 -10.570 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.333 -8.349 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.894 -9.122 4.969 1.00 0.00 H new ATOM 816 N CYS A 54 6.408 -6.340 9.470 1.00 0.00 N ATOM 817 CA CYS A 54 6.799 -5.530 10.617 1.00 0.00 C ATOM 818 C CYS A 54 7.924 -6.200 11.399 1.00 0.00 C ATOM 819 O CYS A 54 7.700 -7.176 12.114 1.00 0.00 O ATOM 820 CB CYS A 54 5.597 -5.291 11.533 1.00 0.00 C ATOM 821 SG CYS A 54 6.025 -4.599 13.147 1.00 0.00 S ATOM 0 H CYS A 54 5.401 -6.459 9.362 1.00 0.00 H new ATOM 0 HA CYS A 54 7.161 -4.571 10.246 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.902 -4.617 11.033 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.074 -6.236 11.682 1.00 0.00 H new ATOM 0 HG CYS A 54 5.225 -3.612 13.422 1.00 0.00 H new ATOM 827 N ASN A 55 9.134 -5.671 11.255 1.00 0.00 N ATOM 828 CA ASN A 55 10.296 -6.219 11.946 1.00 0.00 C ATOM 829 C ASN A 55 10.923 -5.178 12.867 1.00 0.00 C ATOM 830 O ASN A 55 12.069 -5.321 13.293 1.00 0.00 O ATOM 831 CB ASN A 55 11.332 -6.712 10.934 1.00 0.00 C ATOM 832 CG ASN A 55 12.022 -5.571 10.212 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.151 -5.207 10.540 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.344 -5.000 9.223 1.00 0.00 N ATOM 0 H ASN A 55 9.336 -4.863 10.666 1.00 0.00 H new ATOM 0 HA ASN A 55 9.962 -7.060 12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.078 -7.318 11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.844 -7.358 10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.757 -4.227 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.410 -5.334 8.985 1.00 0.00 H new ATOM 841 N MET A 56 10.164 -4.130 13.171 1.00 0.00 N ATOM 842 CA MET A 56 10.645 -3.065 14.043 1.00 0.00 C ATOM 843 C MET A 56 10.225 -3.314 15.488 1.00 0.00 C ATOM 844 O MET A 56 9.226 -3.979 15.764 1.00 0.00 O ATOM 845 CB MET A 56 10.112 -1.711 13.572 1.00 0.00 C ATOM 846 CG MET A 56 8.645 -1.739 13.175 1.00 0.00 C ATOM 847 SD MET A 56 7.970 -0.092 12.890 1.00 0.00 S ATOM 848 CE MET A 56 8.604 0.785 14.318 1.00 0.00 C ATOM 0 H MET A 56 9.213 -3.996 12.826 1.00 0.00 H new ATOM 0 HA MET A 56 11.734 -3.055 13.996 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.251 -0.979 14.367 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.704 -1.373 12.721 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.529 -2.336 12.271 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.070 -2.232 13.959 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.011 1.684 14.486 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.545 0.142 15.196 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.643 1.064 14.142 1.00 0.00 H new ATOM 858 N PRO A 57 11.004 -2.770 16.435 1.00 0.00 N ATOM 859 CA PRO A 57 10.732 -2.920 17.867 1.00 0.00 C ATOM 860 C PRO A 57 9.492 -2.148 18.306 1.00 0.00 C ATOM 861 O PRO A 57 9.261 -1.022 17.865 1.00 0.00 O ATOM 862 CB PRO A 57 11.985 -2.340 18.529 1.00 0.00 C ATOM 863 CG PRO A 57 12.534 -1.384 17.527 1.00 0.00 C ATOM 864 CD PRO A 57 12.211 -1.965 16.179 1.00 0.00 C ATOM 0 HA PRO A 57 10.531 -3.957 18.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.742 -1.837 19.465 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.706 -3.122 18.766 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.087 -0.397 17.644 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.610 -1.263 17.652 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.025 -1.186 15.440 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.029 -2.577 15.799 1.00 0.00 H new ATOM 872 N LYS A 58 8.697 -2.760 19.176 1.00 0.00 N ATOM 873 CA LYS A 58 7.481 -2.131 19.677 1.00 0.00 C ATOM 874 C LYS A 58 7.802 -0.831 20.408 1.00 0.00 C ATOM 875 O LYS A 58 8.581 -0.803 21.361 1.00 0.00 O ATOM 876 CB LYS A 58 6.737 -3.085 20.614 1.00 0.00 C ATOM 877 CG LYS A 58 5.383 -2.562 21.064 1.00 0.00 C ATOM 878 CD LYS A 58 4.409 -3.697 21.333 1.00 0.00 C ATOM 879 CE LYS A 58 2.976 -3.194 21.415 1.00 0.00 C ATOM 880 NZ LYS A 58 2.030 -4.276 21.805 1.00 0.00 N ATOM 0 H LYS A 58 8.873 -3.693 19.550 1.00 0.00 H new ATOM 0 HA LYS A 58 6.844 -1.900 18.823 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.599 -4.042 20.110 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.355 -3.274 21.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.505 -1.964 21.967 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.973 -1.903 20.298 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.489 -4.442 20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.676 -4.193 22.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.917 -2.382 22.139 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.680 -2.783 20.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.064 -3.893 21.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.067 -5.040 21.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.297 -4.651 22.737 1.00 0.00 H new ATOM 894 N PRO A 59 7.189 0.272 19.953 1.00 0.00 N ATOM 895 CA PRO A 59 7.393 1.594 20.551 1.00 0.00 C ATOM 896 C PRO A 59 6.774 1.704 21.940 1.00 0.00 C ATOM 897 O PRO A 59 6.232 0.734 22.468 1.00 0.00 O ATOM 898 CB PRO A 59 6.686 2.538 19.575 1.00 0.00 C ATOM 899 CG PRO A 59 5.657 1.692 18.908 1.00 0.00 C ATOM 900 CD PRO A 59 6.248 0.312 18.821 1.00 0.00 C ATOM 0 HA PRO A 59 8.450 1.818 20.692 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.229 3.378 20.098 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.386 2.955 18.851 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.729 1.684 19.479 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.418 2.077 17.917 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.483 -0.459 18.907 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.756 0.152 17.870 1.00 0.00 H new ATOM 908 N GLY A 60 6.858 2.894 22.528 1.00 0.00 N ATOM 909 CA GLY A 60 6.301 3.108 23.851 1.00 0.00 C ATOM 910 C GLY A 60 4.960 3.813 23.809 1.00 0.00 C ATOM 911 O GLY A 60 4.704 4.623 22.918 1.00 0.00 O ATOM 0 H GLY A 60 7.302 3.713 22.112 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.187 2.147 24.354 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.999 3.698 24.445 1.00 0.00 H new ATOM 915 N VAL A 61 4.100 3.503 24.774 1.00 0.00 N ATOM 916 CA VAL A 61 2.777 4.112 24.843 1.00 0.00 C ATOM 917 C VAL A 61 2.854 5.619 24.630 1.00 0.00 C ATOM 918 O VAL A 61 2.160 6.173 23.777 1.00 0.00 O ATOM 919 CB VAL A 61 2.099 3.830 26.197 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.646 2.380 26.275 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.041 4.165 27.344 1.00 0.00 C ATOM 0 H VAL A 61 4.296 2.834 25.519 1.00 0.00 H new ATOM 0 HA VAL A 61 2.181 3.665 24.047 1.00 0.00 H new ATOM 0 HB VAL A 61 1.218 4.466 26.283 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.169 2.199 27.238 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.935 2.178 25.474 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.509 1.723 26.168 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.546 3.960 28.293 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.941 3.556 27.265 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.311 5.220 27.296 1.00 0.00 H new ATOM 931 N PHE A 62 3.702 6.279 25.411 1.00 0.00 N ATOM 932 CA PHE A 62 3.870 7.724 25.309 1.00 0.00 C ATOM 933 C PHE A 62 3.891 8.167 23.849 1.00 0.00 C ATOM 934 O PHE A 62 3.412 9.250 23.511 1.00 0.00 O ATOM 935 CB PHE A 62 5.163 8.159 26.003 1.00 0.00 C ATOM 936 CG PHE A 62 5.449 7.399 27.266 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.430 7.093 28.154 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.738 6.989 27.566 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.691 6.394 29.317 1.00 0.00 C ATOM 940 CE2 PHE A 62 7.006 6.289 28.728 1.00 0.00 C ATOM 941 CZ PHE A 62 5.981 5.991 29.604 1.00 0.00 C ATOM 0 H PHE A 62 4.284 5.836 26.122 1.00 0.00 H new ATOM 0 HA PHE A 62 3.022 8.199 25.803 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.997 8.030 25.314 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.102 9.222 26.234 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.420 7.405 27.934 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.543 7.219 26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.888 6.163 30.001 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.015 5.976 28.950 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.187 5.444 30.512 1.00 0.00 H new ATOM 951 N ASP A 63 4.448 7.323 22.988 1.00 0.00 N ATOM 952 CA ASP A 63 4.531 7.626 21.564 1.00 0.00 C ATOM 953 C ASP A 63 3.283 7.143 20.832 1.00 0.00 C ATOM 954 O ASP A 63 3.272 6.057 20.251 1.00 0.00 O ATOM 955 CB ASP A 63 5.776 6.980 20.955 1.00 0.00 C ATOM 956 CG ASP A 63 7.009 7.851 21.096 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.907 9.069 20.839 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.076 7.316 21.463 1.00 0.00 O ATOM 0 H ASP A 63 4.849 6.423 23.251 1.00 0.00 H new ATOM 0 HA ASP A 63 4.601 8.708 21.452 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.956 6.020 21.438 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.597 6.777 19.899 1.00 0.00 H new ATOM 963 N LEU A 64 2.232 7.956 20.866 1.00 0.00 N ATOM 964 CA LEU A 64 0.977 7.611 20.207 1.00 0.00 C ATOM 965 C LEU A 64 1.114 7.710 18.691 1.00 0.00 C ATOM 966 O LEU A 64 0.231 7.278 17.949 1.00 0.00 O ATOM 967 CB LEU A 64 -0.145 8.531 20.690 1.00 0.00 C ATOM 968 CG LEU A 64 -0.323 8.634 22.206 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.370 9.681 22.551 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.705 7.282 22.790 1.00 0.00 C ATOM 0 H LEU A 64 2.224 8.858 21.343 1.00 0.00 H new ATOM 0 HA LEU A 64 0.730 6.581 20.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.038 9.531 20.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.083 8.185 20.257 1.00 0.00 H new ATOM 0 HG LEU A 64 0.626 8.942 22.644 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.483 9.740 23.634 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.055 10.651 22.166 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.324 9.404 22.101 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.828 7.373 23.869 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.642 6.945 22.346 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.080 6.557 22.574 1.00 0.00 H new ATOM 982 N ILE A 65 2.226 8.280 18.238 1.00 0.00 N ATOM 983 CA ILE A 65 2.478 8.432 16.810 1.00 0.00 C ATOM 984 C ILE A 65 3.100 7.168 16.225 1.00 0.00 C ATOM 985 O ILE A 65 2.712 6.715 15.149 1.00 0.00 O ATOM 986 CB ILE A 65 3.408 9.626 16.528 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.681 10.944 16.807 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.904 9.583 15.090 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.731 11.365 18.259 1.00 0.00 C ATOM 0 H ILE A 65 2.966 8.644 18.838 1.00 0.00 H new ATOM 0 HA ILE A 65 1.513 8.613 16.336 1.00 0.00 H new ATOM 0 HB ILE A 65 4.270 9.561 17.192 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.122 11.730 16.194 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.639 10.847 16.501 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.560 10.434 14.906 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.454 8.657 14.922 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.053 9.627 14.410 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.196 12.307 18.383 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.264 10.598 18.877 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.769 11.494 18.565 1.00 0.00 H new ATOM 1001 N ASN A 66 4.067 6.604 16.942 1.00 0.00 N ATOM 1002 CA ASN A 66 4.742 5.391 16.493 1.00 0.00 C ATOM 1003 C ASN A 66 3.871 4.162 16.738 1.00 0.00 C ATOM 1004 O ASN A 66 3.848 3.234 15.929 1.00 0.00 O ATOM 1005 CB ASN A 66 6.082 5.233 17.215 1.00 0.00 C ATOM 1006 CG ASN A 66 6.804 6.554 17.390 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.412 6.809 18.430 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.741 7.403 16.370 1.00 0.00 N ATOM 0 H ASN A 66 4.400 6.967 17.835 1.00 0.00 H new ATOM 0 HA ASN A 66 4.922 5.479 15.422 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.914 4.782 18.193 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.716 4.547 16.653 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.208 8.308 16.430 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.226 7.150 15.527 1.00 0.00 H new ATOM 1015 N LYS A 67 3.156 4.164 17.857 1.00 0.00 N ATOM 1016 CA LYS A 67 2.282 3.051 18.209 1.00 0.00 C ATOM 1017 C LYS A 67 1.156 2.901 17.191 1.00 0.00 C ATOM 1018 O LYS A 67 0.843 1.793 16.756 1.00 0.00 O ATOM 1019 CB LYS A 67 1.696 3.257 19.607 1.00 0.00 C ATOM 1020 CG LYS A 67 1.406 1.961 20.343 1.00 0.00 C ATOM 1021 CD LYS A 67 2.683 1.202 20.661 1.00 0.00 C ATOM 1022 CE LYS A 67 2.459 0.164 21.749 1.00 0.00 C ATOM 1023 NZ LYS A 67 3.688 -0.066 22.558 1.00 0.00 N ATOM 0 H LYS A 67 3.164 4.925 18.537 1.00 0.00 H new ATOM 0 HA LYS A 67 2.878 2.138 18.203 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.391 3.853 20.199 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.774 3.832 19.524 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.871 2.179 21.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.752 1.335 19.736 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.050 0.712 19.759 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.454 1.903 20.979 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.650 0.491 22.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.142 -0.775 21.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.765 -1.076 22.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.523 0.228 22.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.635 0.490 23.435 1.00 0.00 H new ATOM 1037 N ALA A 68 0.551 4.023 16.815 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.538 4.016 15.847 1.00 0.00 C ATOM 1039 C ALA A 68 -0.128 3.299 14.565 1.00 0.00 C ATOM 1040 O ALA A 68 -0.906 2.537 13.991 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.979 5.440 15.539 1.00 0.00 C ATOM 0 H ALA A 68 0.797 4.948 17.166 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.376 3.473 16.284 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.793 5.420 14.814 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.320 5.921 16.455 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.140 6.000 15.126 1.00 0.00 H new ATOM 1047 N LYS A 69 1.099 3.549 14.119 1.00 0.00 N ATOM 1048 CA LYS A 69 1.614 2.927 12.905 1.00 0.00 C ATOM 1049 C LYS A 69 1.982 1.468 13.155 1.00 0.00 C ATOM 1050 O LYS A 69 1.554 0.576 12.422 1.00 0.00 O ATOM 1051 CB LYS A 69 2.837 3.692 12.395 1.00 0.00 C ATOM 1052 CG LYS A 69 2.489 4.857 11.485 1.00 0.00 C ATOM 1053 CD LYS A 69 2.271 6.137 12.275 1.00 0.00 C ATOM 1054 CE LYS A 69 1.441 7.142 11.491 1.00 0.00 C ATOM 1055 NZ LYS A 69 1.746 8.544 11.890 1.00 0.00 N ATOM 0 H LYS A 69 1.755 4.179 14.581 1.00 0.00 H new ATOM 0 HA LYS A 69 0.830 2.961 12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.404 4.065 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.488 3.003 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.291 5.007 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.589 4.621 10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.770 5.905 13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.235 6.578 12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.632 7.018 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.382 6.941 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.160 9.199 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.540 8.670 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.751 8.744 11.714 1.00 0.00 H new ATOM 1069 N TRP A 70 2.775 1.232 14.194 1.00 0.00 N ATOM 1070 CA TRP A 70 3.199 -0.119 14.541 1.00 0.00 C ATOM 1071 C TRP A 70 2.039 -1.102 14.418 1.00 0.00 C ATOM 1072 O TRP A 70 2.180 -2.171 13.825 1.00 0.00 O ATOM 1073 CB TRP A 70 3.762 -0.150 15.963 1.00 0.00 C ATOM 1074 CG TRP A 70 4.617 -1.350 16.237 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.922 -1.526 15.876 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.226 -2.542 16.928 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.366 -2.755 16.301 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.345 -3.397 16.950 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.040 -2.968 17.532 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.310 -4.652 17.551 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.007 -4.215 18.128 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.137 -5.044 18.135 1.00 0.00 C ATOM 0 H TRP A 70 3.137 1.959 14.811 1.00 0.00 H new ATOM 0 HA TRP A 70 3.980 -0.419 13.842 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.349 0.752 16.133 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.936 -0.131 16.674 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.518 -0.805 15.336 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.304 -3.129 16.157 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.165 -2.335 17.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.179 -5.294 17.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.095 -4.556 18.596 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.080 -6.012 18.611 1.00 0.00 H new ATOM 1093 N ASP A 71 0.894 -0.732 14.982 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.290 -1.581 14.934 1.00 0.00 C ATOM 1095 C ASP A 71 -0.800 -1.723 13.503 1.00 0.00 C ATOM 1096 O ASP A 71 -1.396 -2.738 13.144 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.392 -1.006 15.826 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.254 -1.443 17.271 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.143 -1.316 17.826 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.257 -1.914 17.847 1.00 0.00 O ATOM 0 H ASP A 71 0.761 0.150 15.477 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.013 -2.569 15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.366 0.082 15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.364 -1.320 15.446 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.561 -0.698 12.691 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.995 -0.710 11.299 1.00 0.00 C ATOM 1107 C ALA A 72 -0.097 -1.604 10.452 1.00 0.00 C ATOM 1108 O ALA A 72 -0.575 -2.502 9.759 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.013 0.705 10.741 1.00 0.00 C ATOM 0 H ALA A 72 -0.070 0.150 12.973 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.006 -1.116 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.339 0.682 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.702 1.317 11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.011 1.131 10.798 1.00 0.00 H new ATOM 1115 N TRP A 73 1.206 -1.353 10.512 1.00 0.00 N ATOM 1116 CA TRP A 73 2.171 -2.136 9.748 1.00 0.00 C ATOM 1117 C TRP A 73 2.291 -3.549 10.308 1.00 0.00 C ATOM 1118 O TRP A 73 2.563 -4.496 9.573 1.00 0.00 O ATOM 1119 CB TRP A 73 3.539 -1.451 9.762 1.00 0.00 C ATOM 1120 CG TRP A 73 4.563 -2.154 8.923 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.331 -3.110 7.976 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.981 -1.958 8.959 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.519 -3.519 7.420 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.546 -2.827 8.006 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.828 -1.131 9.702 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.918 -2.892 7.779 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.190 -1.197 9.477 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.724 -2.072 8.521 1.00 0.00 C ATOM 0 H TRP A 73 1.619 -0.614 11.081 1.00 0.00 H new ATOM 0 HA TRP A 73 1.815 -2.202 8.720 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.428 -0.427 9.406 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.898 -1.394 10.789 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.357 -3.489 7.704 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.620 -4.224 6.689 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.425 -0.452 10.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.332 -3.566 7.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.854 -0.564 10.047 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.793 -2.100 8.367 1.00 0.00 H new ATOM 1139 N ASN A 74 2.085 -3.682 11.614 1.00 0.00 N ATOM 1140 CA ASN A 74 2.170 -4.981 12.273 1.00 0.00 C ATOM 1141 C ASN A 74 1.003 -5.875 11.866 1.00 0.00 C ATOM 1142 O ASN A 74 1.189 -7.049 11.548 1.00 0.00 O ATOM 1143 CB ASN A 74 2.187 -4.805 13.792 1.00 0.00 C ATOM 1144 CG ASN A 74 2.127 -6.130 14.528 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.600 -7.152 14.030 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.542 -6.119 15.720 1.00 0.00 N ATOM 0 H ASN A 74 1.858 -2.907 12.237 1.00 0.00 H new ATOM 0 HA ASN A 74 3.098 -5.460 11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.092 -4.271 14.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.341 -4.187 14.093 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.471 -6.981 16.261 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.164 -5.249 16.094 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.200 -5.310 11.877 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.397 -6.055 11.507 1.00 0.00 C ATOM 1155 C ALA A 75 -1.150 -6.910 10.269 1.00 0.00 C ATOM 1156 O ALA A 75 -1.620 -8.046 10.183 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.559 -5.101 11.269 1.00 0.00 C ATOM 0 H ALA A 75 -0.371 -4.339 12.138 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.651 -6.721 12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.447 -5.670 10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.758 -4.536 12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.305 -4.412 10.463 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.412 -6.359 9.312 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.103 -7.072 8.077 1.00 0.00 C ATOM 1165 C LEU A 76 0.480 -8.449 8.375 1.00 0.00 C ATOM 1166 O LEU A 76 -0.018 -9.464 7.889 1.00 0.00 O ATOM 1167 CB LEU A 76 0.879 -6.262 7.230 1.00 0.00 C ATOM 1168 CG LEU A 76 0.272 -5.140 6.386 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.331 -5.700 5.107 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.778 -4.381 7.185 1.00 0.00 C ATOM 0 H LEU A 76 -0.016 -5.421 9.367 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.031 -7.204 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.626 -5.827 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.404 -6.947 6.564 1.00 0.00 H new ATOM 0 HG LEU A 76 1.067 -4.445 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.758 -4.887 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.445 -6.198 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.113 -6.417 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.200 -3.586 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.571 -5.066 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.317 -3.947 8.072 1.00 0.00 H new ATOM 1182 N GLY A 77 1.538 -8.477 9.180 1.00 0.00 N ATOM 1183 CA GLY A 77 2.170 -9.735 9.531 1.00 0.00 C ATOM 1184 C GLY A 77 3.212 -10.164 8.516 1.00 0.00 C ATOM 1185 O GLY A 77 4.116 -9.397 8.184 1.00 0.00 O ATOM 0 H GLY A 77 1.968 -7.651 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.639 -9.642 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.408 -10.510 9.615 1.00 0.00 H new ATOM 1189 N SER A 78 3.086 -11.392 8.024 1.00 0.00 N ATOM 1190 CA SER A 78 4.028 -11.923 7.045 1.00 0.00 C ATOM 1191 C SER A 78 3.558 -11.628 5.624 1.00 0.00 C ATOM 1192 O SER A 78 3.924 -12.328 4.679 1.00 0.00 O ATOM 1193 CB SER A 78 4.197 -13.431 7.236 1.00 0.00 C ATOM 1194 OG SER A 78 4.727 -13.727 8.517 1.00 0.00 O ATOM 0 H SER A 78 2.342 -12.038 8.287 1.00 0.00 H new ATOM 0 HA SER A 78 4.990 -11.434 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.234 -13.926 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.858 -13.826 6.465 1.00 0.00 H new ATOM 0 HG SER A 78 4.824 -14.697 8.615 1.00 0.00 H new ATOM 1200 N LEU A 79 2.744 -10.588 5.481 1.00 0.00 N ATOM 1201 CA LEU A 79 2.223 -10.199 4.175 1.00 0.00 C ATOM 1202 C LEU A 79 3.358 -9.865 3.213 1.00 0.00 C ATOM 1203 O LEU A 79 4.191 -8.996 3.474 1.00 0.00 O ATOM 1204 CB LEU A 79 1.287 -8.997 4.315 1.00 0.00 C ATOM 1205 CG LEU A 79 0.322 -8.758 3.153 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.088 -8.400 1.889 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.548 -9.985 2.922 1.00 0.00 C ATOM 0 H LEU A 79 2.431 -9.999 6.253 1.00 0.00 H new ATOM 0 HA LEU A 79 1.664 -11.042 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.702 -9.121 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.895 -8.102 4.446 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.327 -7.920 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.385 -8.233 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.668 -7.493 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.761 -9.217 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.229 -9.797 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.085 -10.841 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.124 -10.197 3.823 1.00 0.00 H new ATOM 1219 N PRO A 80 3.393 -10.567 2.071 1.00 0.00 N ATOM 1220 CA PRO A 80 4.419 -10.361 1.045 1.00 0.00 C ATOM 1221 C PRO A 80 4.264 -9.022 0.331 1.00 0.00 C ATOM 1222 O PRO A 80 3.190 -8.420 0.344 1.00 0.00 O ATOM 1223 CB PRO A 80 4.184 -11.517 0.070 1.00 0.00 C ATOM 1224 CG PRO A 80 2.749 -11.875 0.246 1.00 0.00 C ATOM 1225 CD PRO A 80 2.432 -11.618 1.693 1.00 0.00 C ATOM 0 HA PRO A 80 5.422 -10.342 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.394 -11.218 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.834 -12.363 0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.114 -11.274 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.573 -12.919 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.402 -11.287 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.560 -12.516 2.298 1.00 0.00 H new ATOM 1233 N LYS A 81 5.343 -8.561 -0.292 1.00 0.00 N ATOM 1234 CA LYS A 81 5.327 -7.294 -1.014 1.00 0.00 C ATOM 1235 C LYS A 81 4.350 -7.347 -2.184 1.00 0.00 C ATOM 1236 O LYS A 81 3.527 -6.449 -2.356 1.00 0.00 O ATOM 1237 CB LYS A 81 6.731 -6.956 -1.523 1.00 0.00 C ATOM 1238 CG LYS A 81 7.680 -6.498 -0.429 1.00 0.00 C ATOM 1239 CD LYS A 81 9.128 -6.781 -0.793 1.00 0.00 C ATOM 1240 CE LYS A 81 10.042 -6.648 0.415 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.478 -6.602 0.022 1.00 0.00 N ATOM 0 H LYS A 81 6.240 -9.046 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 81 4.999 -6.516 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.152 -7.834 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.656 -6.174 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.549 -5.430 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.433 -7.004 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.211 -7.787 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.450 -6.090 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.787 -5.742 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.877 -7.488 1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.068 -6.511 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.728 -7.477 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.641 -5.786 -0.601 1.00 0.00 H new ATOM 1255 N GLU A 82 4.446 -8.405 -2.983 1.00 0.00 N ATOM 1256 CA GLU A 82 3.570 -8.573 -4.136 1.00 0.00 C ATOM 1257 C GLU A 82 2.115 -8.311 -3.756 1.00 0.00 C ATOM 1258 O GLU A 82 1.391 -7.618 -4.470 1.00 0.00 O ATOM 1259 CB GLU A 82 3.712 -9.983 -4.711 1.00 0.00 C ATOM 1260 CG GLU A 82 3.381 -11.083 -3.716 1.00 0.00 C ATOM 1261 CD GLU A 82 3.408 -12.464 -4.342 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.508 -12.929 -4.706 1.00 0.00 O ATOM 1263 OE2 GLU A 82 2.329 -13.079 -4.469 1.00 0.00 O ATOM 0 H GLU A 82 5.121 -9.158 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 82 3.866 -7.848 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.058 -10.080 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.734 -10.121 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.093 -11.048 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.394 -10.899 -3.292 1.00 0.00 H new ATOM 1270 N ALA A 83 1.695 -8.871 -2.626 1.00 0.00 N ATOM 1271 CA ALA A 83 0.328 -8.698 -2.150 1.00 0.00 C ATOM 1272 C ALA A 83 0.150 -7.342 -1.476 1.00 0.00 C ATOM 1273 O ALA A 83 -0.891 -6.700 -1.617 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.043 -9.819 -1.191 1.00 0.00 C ATOM 0 H ALA A 83 2.282 -9.448 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.339 -8.737 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.066 -9.677 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.036 -10.778 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.635 -9.807 -0.337 1.00 0.00 H new ATOM 1280 N ALA A 84 1.171 -6.912 -0.742 1.00 0.00 N ATOM 1281 CA ALA A 84 1.127 -5.631 -0.047 1.00 0.00 C ATOM 1282 C ALA A 84 0.817 -4.493 -1.013 1.00 0.00 C ATOM 1283 O ALA A 84 -0.067 -3.675 -0.760 1.00 0.00 O ATOM 1284 CB ALA A 84 2.444 -5.374 0.670 1.00 0.00 C ATOM 0 H ALA A 84 2.039 -7.432 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 84 0.327 -5.674 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.397 -4.414 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.624 -6.167 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.256 -5.357 -0.056 1.00 0.00 H new ATOM 1290 N ARG A 85 1.551 -4.446 -2.120 1.00 0.00 N ATOM 1291 CA ARG A 85 1.356 -3.406 -3.123 1.00 0.00 C ATOM 1292 C ARG A 85 -0.070 -3.435 -3.665 1.00 0.00 C ATOM 1293 O ARG A 85 -0.668 -2.389 -3.918 1.00 0.00 O ATOM 1294 CB ARG A 85 2.352 -3.581 -4.271 1.00 0.00 C ATOM 1295 CG ARG A 85 3.709 -2.952 -4.001 1.00 0.00 C ATOM 1296 CD ARG A 85 4.420 -2.584 -5.294 1.00 0.00 C ATOM 1297 NE ARG A 85 4.785 -3.765 -6.072 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.748 -4.610 -5.719 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.437 -4.406 -4.605 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.021 -5.662 -6.480 1.00 0.00 N ATOM 0 H ARG A 85 2.286 -5.116 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 85 1.527 -2.441 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.486 -4.645 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.931 -3.143 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.582 -2.060 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.326 -3.646 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.775 -1.941 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.317 -2.010 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 85 4.272 -3.951 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.228 -3.599 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.176 -5.056 -4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.492 -5.823 -7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.760 -6.310 -6.208 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.608 -4.638 -3.840 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.963 -4.801 -4.353 1.00 0.00 C ATOM 1316 C GLN A 86 -2.984 -4.196 -3.396 1.00 0.00 C ATOM 1317 O GLN A 86 -3.937 -3.544 -3.820 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.271 -6.283 -4.576 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.741 -6.565 -4.841 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.149 -6.243 -6.265 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.456 -7.139 -7.053 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.156 -4.959 -6.603 1.00 0.00 N ATOM 0 H GLN A 86 -0.126 -5.513 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.030 -4.275 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.682 -6.645 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.953 -6.848 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.948 -7.615 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.349 -5.980 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.894 -4.250 -5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.423 -4.682 -7.548 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.778 -4.416 -2.101 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.681 -3.893 -1.083 1.00 0.00 C ATOM 1333 C ASN A 87 -3.677 -2.367 -1.085 1.00 0.00 C ATOM 1334 O ASN A 87 -4.732 -1.734 -1.120 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.282 -4.414 0.299 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.805 -5.812 0.563 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.992 -6.003 0.828 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.919 -6.799 0.492 1.00 0.00 N ATOM 0 H ASN A 87 -1.993 -4.953 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.689 -4.236 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.195 -4.413 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.662 -3.736 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.213 -7.761 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.945 -6.595 0.269 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.484 -1.784 -1.047 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.343 -0.333 -1.042 1.00 0.00 C ATOM 1347 C TYR A 88 -3.155 0.297 -2.169 1.00 0.00 C ATOM 1348 O TYR A 88 -4.042 1.116 -1.928 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.870 0.057 -1.181 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.630 1.548 -1.114 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -0.931 2.369 -2.193 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.102 2.136 0.029 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.713 3.732 -2.136 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.119 3.498 0.095 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.188 4.292 -0.990 1.00 0.00 C ATOM 1356 OH TYR A 88 0.030 5.649 -0.929 1.00 0.00 O ATOM 0 H TYR A 88 -1.601 -2.294 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.724 0.041 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.298 -0.431 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.491 -0.321 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.343 1.934 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.140 1.517 0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.952 4.356 -2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.530 3.939 0.991 1.00 0.00 H new ATOM 0 HH TYR A 88 0.402 5.881 -0.053 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.846 -0.091 -3.402 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.547 0.433 -4.568 1.00 0.00 C ATOM 1368 C VAL A 89 -5.038 0.121 -4.498 1.00 0.00 C ATOM 1369 O VAL A 89 -5.876 0.979 -4.778 1.00 0.00 O ATOM 1370 CB VAL A 89 -2.973 -0.145 -5.875 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.545 0.332 -6.088 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.041 -1.664 -5.861 1.00 0.00 C ATOM 0 H VAL A 89 -2.114 -0.767 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.404 1.514 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.578 0.214 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.156 -0.087 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.530 1.420 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.924 0.005 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.631 -2.055 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.462 -2.046 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.079 -1.981 -5.760 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.362 -1.111 -4.123 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.752 -1.537 -4.015 1.00 0.00 C ATOM 1384 C ASP A 90 -7.569 -0.529 -3.213 1.00 0.00 C ATOM 1385 O ASP A 90 -8.762 -0.347 -3.455 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.836 -2.917 -3.361 1.00 0.00 C ATOM 1387 CG ASP A 90 -6.748 -4.044 -4.371 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -5.987 -3.904 -5.352 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -7.440 -5.066 -4.182 1.00 0.00 O ATOM 0 H ASP A 90 -4.681 -1.833 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.167 -1.595 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.030 -3.021 -2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.774 -2.999 -2.811 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.918 0.123 -2.255 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.583 1.112 -1.415 1.00 0.00 C ATOM 1396 C LEU A 91 -7.765 2.429 -2.164 1.00 0.00 C ATOM 1397 O LEU A 91 -8.888 2.896 -2.356 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.779 1.347 -0.135 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.419 2.273 0.900 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.339 3.721 0.443 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.865 1.871 1.152 1.00 0.00 C ATOM 0 H LEU A 91 -5.930 -0.016 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.568 0.726 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.594 0.382 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.808 1.759 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.867 2.178 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.799 4.365 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.295 4.004 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.866 3.833 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.305 2.540 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.429 1.937 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.898 0.847 1.524 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.653 3.021 -2.587 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.689 4.282 -3.318 1.00 0.00 C ATOM 1415 C VAL A 92 -7.750 4.252 -4.413 1.00 0.00 C ATOM 1416 O VAL A 92 -8.298 5.288 -4.789 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.322 4.604 -3.951 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.371 5.940 -4.676 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.231 4.602 -2.891 1.00 0.00 C ATOM 0 H VAL A 92 -5.716 2.648 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.938 5.059 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.088 3.830 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.397 6.151 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.124 5.900 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.627 6.729 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.272 4.831 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.457 5.354 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.181 3.619 -2.422 1.00 0.00 H new ATOM 1429 N SER A 93 -8.034 3.057 -4.921 1.00 0.00 N ATOM 1430 CA SER A 93 -9.027 2.892 -5.976 1.00 0.00 C ATOM 1431 C SER A 93 -10.441 2.972 -5.409 1.00 0.00 C ATOM 1432 O SER A 93 -11.362 3.446 -6.074 1.00 0.00 O ATOM 1433 CB SER A 93 -8.827 1.553 -6.689 1.00 0.00 C ATOM 1434 OG SER A 93 -8.031 1.708 -7.851 1.00 0.00 O ATOM 0 H SER A 93 -7.591 2.189 -4.619 1.00 0.00 H new ATOM 0 HA SER A 93 -8.896 3.702 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.352 0.844 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.796 1.134 -6.961 1.00 0.00 H new ATOM 0 HG SER A 93 -7.917 0.838 -8.288 1.00 0.00 H new ATOM 1440 N SER A 94 -10.604 2.506 -4.175 1.00 0.00 N ATOM 1441 CA SER A 94 -11.906 2.522 -3.518 1.00 0.00 C ATOM 1442 C SER A 94 -12.404 3.952 -3.332 1.00 0.00 C ATOM 1443 O SER A 94 -13.588 4.238 -3.510 1.00 0.00 O ATOM 1444 CB SER A 94 -11.825 1.817 -2.162 1.00 0.00 C ATOM 1445 OG SER A 94 -12.974 2.086 -1.379 1.00 0.00 O ATOM 0 H SER A 94 -9.851 2.113 -3.610 1.00 0.00 H new ATOM 0 HA SER A 94 -12.613 1.990 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.727 0.742 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.933 2.147 -1.630 1.00 0.00 H new ATOM 0 HG SER A 94 -12.899 1.623 -0.518 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.490 4.847 -2.971 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.835 6.248 -2.760 1.00 0.00 C ATOM 1453 C LEU A 95 -12.344 6.884 -4.049 1.00 0.00 C ATOM 1454 O LEU A 95 -13.354 7.589 -4.049 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.620 7.020 -2.243 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.092 6.601 -0.870 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.660 7.076 -0.680 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.987 7.144 0.234 1.00 0.00 C ATOM 0 H LEU A 95 -10.506 4.627 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.630 6.292 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.813 6.915 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.877 8.078 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.102 5.512 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.302 6.768 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.026 6.638 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.624 8.163 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.596 6.836 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.010 8.232 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.997 6.753 0.109 1.00 0.00 H new