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 58 LYS NZ :NH3+ 178:sc= -0.847 (180deg=-0.881) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 169:sc= -0.31 (180deg=-0.576) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 69:sc= -1.14 USER MOD Single : A 24 MET CE :methyl 165:sc= -0.0254 (180deg=-0.605) USER MOD Single : A 25 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.127) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.197) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4.6 K(o=-4.6,f=-10!) USER MOD Single : A 50 THR OG1 : rot -99:sc= 0.339 USER MOD Single : A 54 CYS SG : rot 125:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.15) USER MOD Single : A 56 MET CE :methyl -145:sc= -0.614 (180deg=-2.74!) USER MOD Single : A 66 ASN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD Single : A 78 SER OG : rot -57:sc= 0.299 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.00739 X(o=0.0074,f=-0.0055) USER MOD Single : A 87 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.61) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.938 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 1.021 1.188 -10.999 1.00 0.00 N ATOM 247 CA ASP A 19 -0.267 1.403 -10.349 1.00 0.00 C ATOM 248 C ASP A 19 -0.079 1.975 -8.947 1.00 0.00 C ATOM 249 O ASP A 19 -0.795 2.888 -8.536 1.00 0.00 O ATOM 250 CB ASP A 19 -1.052 0.093 -10.278 1.00 0.00 C ATOM 251 CG ASP A 19 -2.551 0.314 -10.322 1.00 0.00 C ATOM 252 OD1 ASP A 19 -2.985 1.326 -10.911 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.291 -0.527 -9.769 1.00 0.00 O ATOM 0 HA ASP A 19 -0.830 2.123 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.758 -0.549 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.792 -0.434 -9.360 1.00 0.00 H new ATOM 258 N PHE A 20 0.888 1.430 -8.216 1.00 0.00 N ATOM 259 CA PHE A 20 1.169 1.884 -6.859 1.00 0.00 C ATOM 260 C PHE A 20 1.629 3.339 -6.857 1.00 0.00 C ATOM 261 O PHE A 20 1.003 4.197 -6.235 1.00 0.00 O ATOM 262 CB PHE A 20 2.237 0.999 -6.213 1.00 0.00 C ATOM 263 CG PHE A 20 2.434 1.270 -4.749 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.148 2.380 -4.326 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.907 0.414 -3.795 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.331 2.632 -2.980 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.087 0.661 -2.448 1.00 0.00 C ATOM 268 CZ PHE A 20 2.801 1.771 -2.039 1.00 0.00 C ATOM 0 H PHE A 20 1.490 0.673 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 20 0.248 1.811 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.961 -0.047 -6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.184 1.148 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.566 3.056 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.349 -0.456 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.888 3.502 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.670 -0.013 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.944 1.965 -0.986 1.00 0.00 H new ATOM 278 N GLU A 21 2.727 3.608 -7.556 1.00 0.00 N ATOM 279 CA GLU A 21 3.272 4.958 -7.633 1.00 0.00 C ATOM 280 C GLU A 21 2.163 5.980 -7.866 1.00 0.00 C ATOM 281 O GLU A 21 2.228 7.105 -7.374 1.00 0.00 O ATOM 282 CB GLU A 21 4.309 5.050 -8.754 1.00 0.00 C ATOM 283 CG GLU A 21 5.710 4.652 -8.321 1.00 0.00 C ATOM 284 CD GLU A 21 6.679 4.572 -9.485 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.857 5.593 -10.180 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.261 3.487 -9.699 1.00 0.00 O ATOM 0 H GLU A 21 3.256 2.909 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 21 3.755 5.182 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.997 4.410 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.332 6.071 -9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.080 5.374 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.670 3.685 -7.819 1.00 0.00 H new ATOM 293 N ASN A 22 1.145 5.577 -8.620 1.00 0.00 N ATOM 294 CA ASN A 22 0.021 6.458 -8.920 1.00 0.00 C ATOM 295 C ASN A 22 -0.930 6.549 -7.731 1.00 0.00 C ATOM 296 O ASN A 22 -1.348 7.639 -7.340 1.00 0.00 O ATOM 297 CB ASN A 22 -0.732 5.955 -10.153 1.00 0.00 C ATOM 298 CG ASN A 22 0.036 6.195 -11.439 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.253 7.339 -11.840 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.452 5.116 -12.091 1.00 0.00 N ATOM 0 H ASN A 22 1.075 4.647 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 22 0.415 7.454 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.929 4.888 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.699 6.453 -10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.974 5.216 -12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.249 4.187 -11.721 1.00 0.00 H new ATOM 307 N SER A 23 -1.268 5.398 -7.161 1.00 0.00 N ATOM 308 CA SER A 23 -2.173 5.347 -6.018 1.00 0.00 C ATOM 309 C SER A 23 -1.652 6.212 -4.874 1.00 0.00 C ATOM 310 O SER A 23 -2.348 7.104 -4.390 1.00 0.00 O ATOM 311 CB SER A 23 -2.348 3.904 -5.543 1.00 0.00 C ATOM 312 OG SER A 23 -3.111 3.150 -6.469 1.00 0.00 O ATOM 0 H SER A 23 -0.929 4.487 -7.471 1.00 0.00 H new ATOM 0 HA SER A 23 -3.140 5.737 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.370 3.441 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.839 3.895 -4.570 1.00 0.00 H new ATOM 0 HG SER A 23 -2.593 3.020 -7.291 1.00 0.00 H new ATOM 318 N MET A 24 -0.424 5.940 -4.448 1.00 0.00 N ATOM 319 CA MET A 24 0.192 6.694 -3.361 1.00 0.00 C ATOM 320 C MET A 24 0.127 8.193 -3.635 1.00 0.00 C ATOM 321 O MET A 24 -0.012 8.996 -2.714 1.00 0.00 O ATOM 322 CB MET A 24 1.647 6.260 -3.172 1.00 0.00 C ATOM 323 CG MET A 24 2.460 6.283 -4.456 1.00 0.00 C ATOM 324 SD MET A 24 4.204 6.638 -4.167 1.00 0.00 S ATOM 325 CE MET A 24 4.524 7.836 -5.460 1.00 0.00 C ATOM 0 H MET A 24 0.165 5.204 -4.838 1.00 0.00 H new ATOM 0 HA MET A 24 -0.363 6.486 -2.446 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.121 6.914 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.666 5.252 -2.758 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.367 5.320 -4.957 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.047 7.034 -5.130 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.465 8.348 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.588 7.326 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.714 8.565 -5.489 1.00 0.00 H new ATOM 335 N ASN A 25 0.230 8.563 -4.908 1.00 0.00 N ATOM 336 CA ASN A 25 0.184 9.966 -5.302 1.00 0.00 C ATOM 337 C ASN A 25 -1.216 10.540 -5.108 1.00 0.00 C ATOM 338 O ASN A 25 -1.381 11.617 -4.536 1.00 0.00 O ATOM 339 CB ASN A 25 0.613 10.121 -6.762 1.00 0.00 C ATOM 340 CG ASN A 25 0.894 11.565 -7.132 1.00 0.00 C ATOM 341 OD1 ASN A 25 1.281 12.370 -6.285 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.701 11.899 -8.402 1.00 0.00 N ATOM 0 H ASN A 25 0.346 7.911 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 25 0.875 10.519 -4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.506 9.523 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.169 9.728 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.874 12.856 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.379 11.199 -9.070 1.00 0.00 H new ATOM 349 N GLN A 26 -2.220 9.813 -5.588 1.00 0.00 N ATOM 350 CA GLN A 26 -3.605 10.250 -5.467 1.00 0.00 C ATOM 351 C GLN A 26 -3.964 10.526 -4.010 1.00 0.00 C ATOM 352 O GLN A 26 -4.780 11.400 -3.716 1.00 0.00 O ATOM 353 CB GLN A 26 -4.548 9.193 -6.045 1.00 0.00 C ATOM 354 CG GLN A 26 -4.510 9.109 -7.562 1.00 0.00 C ATOM 355 CD GLN A 26 -5.352 7.971 -8.105 1.00 0.00 C ATOM 356 OE1 GLN A 26 -4.877 6.845 -8.248 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.612 8.261 -8.410 1.00 0.00 N ATOM 0 H GLN A 26 -2.100 8.919 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.718 11.175 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.288 8.220 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.567 9.414 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.863 10.050 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.478 8.981 -7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.964 9.209 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.227 7.536 -8.779 1.00 0.00 H new ATOM 366 N VAL A 27 -3.349 9.775 -3.102 1.00 0.00 N ATOM 367 CA VAL A 27 -3.603 9.940 -1.676 1.00 0.00 C ATOM 368 C VAL A 27 -3.067 11.275 -1.172 1.00 0.00 C ATOM 369 O VAL A 27 -3.382 11.705 -0.063 1.00 0.00 O ATOM 370 CB VAL A 27 -2.964 8.801 -0.857 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.106 9.071 0.633 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.589 7.465 -1.227 1.00 0.00 C ATOM 0 H VAL A 27 -2.672 9.047 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.684 9.913 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.901 8.757 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.649 8.257 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.608 10.008 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.163 9.142 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.126 6.672 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.659 7.494 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.431 7.271 -2.288 1.00 0.00 H new ATOM 382 N LYS A 28 -2.254 11.928 -1.996 1.00 0.00 N ATOM 383 CA LYS A 28 -1.674 13.217 -1.636 1.00 0.00 C ATOM 384 C LYS A 28 -2.352 14.350 -2.399 1.00 0.00 C ATOM 385 O LYS A 28 -2.364 15.496 -1.947 1.00 0.00 O ATOM 386 CB LYS A 28 -0.171 13.221 -1.925 1.00 0.00 C ATOM 387 CG LYS A 28 0.582 12.090 -1.246 1.00 0.00 C ATOM 388 CD LYS A 28 2.081 12.209 -1.464 1.00 0.00 C ATOM 389 CE LYS A 28 2.820 10.989 -0.935 1.00 0.00 C ATOM 390 NZ LYS A 28 3.148 11.124 0.512 1.00 0.00 N ATOM 0 H LYS A 28 -1.982 11.586 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.833 13.374 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.016 13.154 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.250 14.173 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.367 12.098 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.232 11.134 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.287 12.327 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.452 13.105 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.209 10.100 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.739 10.846 -1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.651 10.273 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.752 11.958 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.270 11.235 1.058 1.00 0.00 H new ATOM 519 N ASN A 36 -7.259 9.849 10.261 1.00 0.00 N ATOM 520 CA ASN A 36 -5.995 9.176 10.533 1.00 0.00 C ATOM 521 C ASN A 36 -6.145 7.663 10.406 1.00 0.00 C ATOM 522 O ASN A 36 -5.156 6.932 10.368 1.00 0.00 O ATOM 523 CB ASN A 36 -5.493 9.534 11.933 1.00 0.00 C ATOM 524 CG ASN A 36 -4.618 10.773 11.935 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.062 11.860 11.565 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.368 10.613 12.352 1.00 0.00 N ATOM 0 HA ASN A 36 -5.267 9.514 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.346 9.694 12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.930 8.694 12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.732 11.410 12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.043 9.693 12.650 1.00 0.00 H new ATOM 533 N GLU A 37 -7.390 7.201 10.341 1.00 0.00 N ATOM 534 CA GLU A 37 -7.669 5.775 10.218 1.00 0.00 C ATOM 535 C GLU A 37 -7.100 5.219 8.916 1.00 0.00 C ATOM 536 O GLU A 37 -6.452 4.173 8.905 1.00 0.00 O ATOM 537 CB GLU A 37 -9.177 5.521 10.278 1.00 0.00 C ATOM 538 CG GLU A 37 -9.859 5.579 8.922 1.00 0.00 C ATOM 539 CD GLU A 37 -11.328 5.209 8.991 1.00 0.00 C ATOM 540 OE1 GLU A 37 -11.631 4.001 9.073 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.173 6.128 8.962 1.00 0.00 O ATOM 0 H GLU A 37 -8.220 7.793 10.371 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.188 5.264 11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.354 4.542 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.635 6.258 10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.760 6.584 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.350 4.904 8.234 1.00 0.00 H new ATOM 548 N VAL A 38 -7.349 5.927 7.819 1.00 0.00 N ATOM 549 CA VAL A 38 -6.861 5.506 6.510 1.00 0.00 C ATOM 550 C VAL A 38 -5.396 5.881 6.323 1.00 0.00 C ATOM 551 O VAL A 38 -4.611 5.110 5.771 1.00 0.00 O ATOM 552 CB VAL A 38 -7.690 6.134 5.374 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.900 7.620 5.624 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.015 5.900 4.031 1.00 0.00 C ATOM 0 H VAL A 38 -7.886 6.794 7.810 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.963 4.422 6.468 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.668 5.653 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.488 8.046 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.430 7.759 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.933 8.121 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.614 6.350 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.024 6.353 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.923 4.829 3.852 1.00 0.00 H new ATOM 564 N LYS A 39 -5.032 7.072 6.787 1.00 0.00 N ATOM 565 CA LYS A 39 -3.659 7.551 6.673 1.00 0.00 C ATOM 566 C LYS A 39 -2.672 6.495 7.160 1.00 0.00 C ATOM 567 O LYS A 39 -1.503 6.498 6.771 1.00 0.00 O ATOM 568 CB LYS A 39 -3.480 8.842 7.476 1.00 0.00 C ATOM 569 CG LYS A 39 -3.833 10.097 6.697 1.00 0.00 C ATOM 570 CD LYS A 39 -5.307 10.439 6.830 1.00 0.00 C ATOM 571 CE LYS A 39 -5.562 11.917 6.573 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.013 12.354 5.259 1.00 0.00 N ATOM 0 H LYS A 39 -5.669 7.723 7.246 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.457 7.753 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.101 8.793 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.445 8.911 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.231 10.931 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.585 9.955 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.885 9.841 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.654 10.177 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.634 12.111 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.110 12.508 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.336 13.320 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.974 12.337 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.345 11.710 4.513 1.00 0.00 H new ATOM 586 N LEU A 40 -3.149 5.594 8.011 1.00 0.00 N ATOM 587 CA LEU A 40 -2.309 4.530 8.550 1.00 0.00 C ATOM 588 C LEU A 40 -2.356 3.294 7.657 1.00 0.00 C ATOM 589 O LEU A 40 -1.325 2.692 7.358 1.00 0.00 O ATOM 590 CB LEU A 40 -2.756 4.168 9.967 1.00 0.00 C ATOM 591 CG LEU A 40 -2.484 5.217 11.045 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.389 4.994 12.247 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.021 5.184 11.464 1.00 0.00 C ATOM 0 H LEU A 40 -4.113 5.579 8.343 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.282 4.893 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.827 3.965 9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.261 3.241 10.257 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.701 6.201 10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.181 5.750 13.004 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.431 5.068 11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.204 4.004 12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.845 5.937 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.778 4.198 11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.390 5.393 10.600 1.00 0.00 H new ATOM 605 N LYS A 41 -3.559 2.922 7.234 1.00 0.00 N ATOM 606 CA LYS A 41 -3.742 1.760 6.373 1.00 0.00 C ATOM 607 C LYS A 41 -2.917 1.893 5.096 1.00 0.00 C ATOM 608 O LYS A 41 -2.490 0.895 4.514 1.00 0.00 O ATOM 609 CB LYS A 41 -5.221 1.588 6.021 1.00 0.00 C ATOM 610 CG LYS A 41 -5.623 2.278 4.729 1.00 0.00 C ATOM 611 CD LYS A 41 -7.134 2.329 4.571 1.00 0.00 C ATOM 612 CE LYS A 41 -7.729 0.935 4.450 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.213 0.952 4.580 1.00 0.00 N ATOM 0 H LYS A 41 -4.423 3.409 7.474 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.399 0.879 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.445 0.524 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.828 1.981 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.220 3.291 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.185 1.750 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.573 2.840 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.389 2.913 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.454 0.505 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.304 0.291 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.610 0.099 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.473 0.973 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.593 1.796 4.107 1.00 0.00 H new ATOM 627 N LEU A 42 -2.695 3.131 4.667 1.00 0.00 N ATOM 628 CA LEU A 42 -1.920 3.395 3.460 1.00 0.00 C ATOM 629 C LEU A 42 -0.426 3.246 3.730 1.00 0.00 C ATOM 630 O LEU A 42 0.346 2.901 2.834 1.00 0.00 O ATOM 631 CB LEU A 42 -2.218 4.800 2.936 1.00 0.00 C ATOM 632 CG LEU A 42 -3.369 4.914 1.936 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.144 3.981 0.756 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.697 4.609 2.614 1.00 0.00 C ATOM 0 H LEU A 42 -3.041 3.967 5.137 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.209 2.664 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.438 5.444 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.315 5.190 2.466 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.401 5.938 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.973 4.075 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.213 4.246 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.085 2.952 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.505 4.695 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.676 3.596 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.862 5.318 3.426 1.00 0.00 H new ATOM 646 N TYR A 43 -0.025 3.507 4.969 1.00 0.00 N ATOM 647 CA TYR A 43 1.377 3.403 5.356 1.00 0.00 C ATOM 648 C TYR A 43 1.740 1.963 5.706 1.00 0.00 C ATOM 649 O TYR A 43 2.877 1.533 5.512 1.00 0.00 O ATOM 650 CB TYR A 43 1.668 4.317 6.548 1.00 0.00 C ATOM 651 CG TYR A 43 2.737 3.783 7.474 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.414 2.928 8.520 1.00 0.00 C ATOM 653 CD2 TYR A 43 4.071 4.133 7.302 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.387 2.438 9.369 1.00 0.00 C ATOM 655 CE2 TYR A 43 5.051 3.647 8.146 1.00 0.00 C ATOM 656 CZ TYR A 43 4.704 2.801 9.178 1.00 0.00 C ATOM 657 OH TYR A 43 5.677 2.314 10.021 1.00 0.00 O ATOM 0 H TYR A 43 -0.651 3.792 5.722 1.00 0.00 H new ATOM 0 HA TYR A 43 1.986 3.717 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.975 5.295 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.749 4.465 7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.384 2.641 8.672 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.346 4.796 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.118 1.775 10.178 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.083 3.928 7.998 1.00 0.00 H new ATOM 0 HH TYR A 43 6.551 2.665 9.749 1.00 0.00 H new ATOM 667 N ALA A 44 0.764 1.222 6.221 1.00 0.00 N ATOM 668 CA ALA A 44 0.979 -0.170 6.596 1.00 0.00 C ATOM 669 C ALA A 44 1.433 -0.997 5.398 1.00 0.00 C ATOM 670 O ALA A 44 2.352 -1.810 5.505 1.00 0.00 O ATOM 671 CB ALA A 44 -0.291 -0.758 7.193 1.00 0.00 C ATOM 0 H ALA A 44 -0.183 1.563 6.388 1.00 0.00 H new ATOM 0 HA ALA A 44 1.769 -0.200 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.116 -1.798 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.573 -0.190 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.095 -0.708 6.459 1.00 0.00 H new ATOM 677 N LEU A 45 0.785 -0.785 4.258 1.00 0.00 N ATOM 678 CA LEU A 45 1.122 -1.512 3.039 1.00 0.00 C ATOM 679 C LEU A 45 2.444 -1.018 2.459 1.00 0.00 C ATOM 680 O LEU A 45 3.314 -1.814 2.105 1.00 0.00 O ATOM 681 CB LEU A 45 0.007 -1.355 2.003 1.00 0.00 C ATOM 682 CG LEU A 45 -1.248 -2.197 2.236 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.874 -3.593 2.710 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.167 -1.519 3.241 1.00 0.00 C ATOM 0 H LEU A 45 0.023 -0.115 4.152 1.00 0.00 H new ATOM 0 HA LEU A 45 1.228 -2.567 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.285 -0.305 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.412 -1.605 1.022 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.782 -2.288 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.780 -4.178 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.257 -4.080 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.317 -3.523 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.055 -2.133 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.643 -1.397 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.463 -0.541 2.861 1.00 0.00 H new ATOM 696 N TYR A 46 2.587 0.299 2.366 1.00 0.00 N ATOM 697 CA TYR A 46 3.803 0.900 1.829 1.00 0.00 C ATOM 698 C TYR A 46 5.044 0.213 2.391 1.00 0.00 C ATOM 699 O TYR A 46 5.883 -0.289 1.644 1.00 0.00 O ATOM 700 CB TYR A 46 3.843 2.395 2.150 1.00 0.00 C ATOM 701 CG TYR A 46 5.193 3.030 1.907 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.637 3.293 0.617 1.00 0.00 C ATOM 703 CD2 TYR A 46 6.026 3.365 2.967 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.870 3.873 0.390 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.260 3.946 2.750 1.00 0.00 C ATOM 706 CZ TYR A 46 7.678 4.198 1.459 1.00 0.00 C ATOM 707 OH TYR A 46 8.907 4.776 1.238 1.00 0.00 O ATOM 0 H TYR A 46 1.876 0.971 2.655 1.00 0.00 H new ATOM 0 HA TYR A 46 3.796 0.768 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.095 2.908 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.564 2.542 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.007 3.040 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.703 3.168 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.199 4.071 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.894 4.202 3.586 1.00 0.00 H new ATOM 0 HH TYR A 46 9.349 4.943 2.097 1.00 0.00 H new ATOM 717 N LYS A 47 5.153 0.196 3.715 1.00 0.00 N ATOM 718 CA LYS A 47 6.289 -0.429 4.381 1.00 0.00 C ATOM 719 C LYS A 47 6.280 -1.940 4.170 1.00 0.00 C ATOM 720 O LYS A 47 7.297 -2.607 4.356 1.00 0.00 O ATOM 721 CB LYS A 47 6.266 -0.113 5.879 1.00 0.00 C ATOM 722 CG LYS A 47 6.378 1.370 6.188 1.00 0.00 C ATOM 723 CD LYS A 47 7.788 1.884 5.955 1.00 0.00 C ATOM 724 CE LYS A 47 8.656 1.713 7.192 1.00 0.00 C ATOM 725 NZ LYS A 47 10.049 2.188 6.963 1.00 0.00 N ATOM 0 H LYS A 47 4.468 0.608 4.348 1.00 0.00 H new ATOM 0 HA LYS A 47 7.202 -0.024 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.341 -0.497 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.086 -0.640 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.679 1.926 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.091 1.549 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.237 1.350 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.751 2.938 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.216 2.265 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.674 0.662 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.608 2.054 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.478 1.645 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.035 3.197 6.712 1.00 0.00 H new ATOM 739 N GLN A 48 5.125 -2.471 3.781 1.00 0.00 N ATOM 740 CA GLN A 48 4.985 -3.903 3.544 1.00 0.00 C ATOM 741 C GLN A 48 5.458 -4.272 2.142 1.00 0.00 C ATOM 742 O GLN A 48 5.954 -5.375 1.913 1.00 0.00 O ATOM 743 CB GLN A 48 3.530 -4.333 3.733 1.00 0.00 C ATOM 744 CG GLN A 48 3.361 -5.827 3.960 1.00 0.00 C ATOM 745 CD GLN A 48 3.473 -6.211 5.423 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.331 -5.370 6.310 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.728 -7.488 5.681 1.00 0.00 N ATOM 0 H GLN A 48 4.274 -1.932 3.623 1.00 0.00 H new ATOM 0 HA GLN A 48 5.609 -4.428 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.108 -3.795 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.956 -4.040 2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.389 -6.141 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.117 -6.365 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.838 -8.151 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.814 -7.806 6.646 1.00 0.00 H new ATOM 756 N ALA A 49 5.301 -3.341 1.206 1.00 0.00 N ATOM 757 CA ALA A 49 5.714 -3.568 -0.174 1.00 0.00 C ATOM 758 C ALA A 49 7.093 -2.975 -0.439 1.00 0.00 C ATOM 759 O ALA A 49 7.551 -2.926 -1.581 1.00 0.00 O ATOM 760 CB ALA A 49 4.691 -2.979 -1.134 1.00 0.00 C ATOM 0 H ALA A 49 4.891 -2.423 1.378 1.00 0.00 H new ATOM 0 HA ALA A 49 5.773 -4.644 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.012 -3.156 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.723 -3.452 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.604 -1.906 -0.960 1.00 0.00 H new ATOM 766 N THR A 50 7.753 -2.525 0.624 1.00 0.00 N ATOM 767 CA THR A 50 9.080 -1.934 0.506 1.00 0.00 C ATOM 768 C THR A 50 10.064 -2.596 1.463 1.00 0.00 C ATOM 769 O THR A 50 11.217 -2.842 1.110 1.00 0.00 O ATOM 770 CB THR A 50 9.047 -0.419 0.788 1.00 0.00 C ATOM 771 OG1 THR A 50 8.399 -0.168 2.040 1.00 0.00 O ATOM 772 CG2 THR A 50 8.320 0.322 -0.324 1.00 0.00 C ATOM 0 H THR A 50 7.390 -2.559 1.577 1.00 0.00 H new ATOM 0 HA THR A 50 9.409 -2.098 -0.520 1.00 0.00 H new ATOM 0 HB THR A 50 10.074 -0.057 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.468 0.093 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.309 1.389 -0.103 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.833 0.152 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.296 -0.044 -0.396 1.00 0.00 H new ATOM 780 N GLU A 51 9.601 -2.882 2.676 1.00 0.00 N ATOM 781 CA GLU A 51 10.443 -3.516 3.684 1.00 0.00 C ATOM 782 C GLU A 51 9.978 -4.943 3.962 1.00 0.00 C ATOM 783 O GLU A 51 10.791 -5.844 4.165 1.00 0.00 O ATOM 784 CB GLU A 51 10.427 -2.702 4.980 1.00 0.00 C ATOM 785 CG GLU A 51 10.610 -1.209 4.763 1.00 0.00 C ATOM 786 CD GLU A 51 12.058 -0.826 4.529 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.649 -1.313 3.543 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.600 -0.039 5.333 1.00 0.00 O ATOM 0 H GLU A 51 8.649 -2.685 2.984 1.00 0.00 H new ATOM 0 HA GLU A 51 11.462 -3.552 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.481 -2.873 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.218 -3.065 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.012 -0.894 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.232 -0.670 5.632 1.00 0.00 H new ATOM 795 N GLY A 52 8.663 -5.140 3.969 1.00 0.00 N ATOM 796 CA GLY A 52 8.112 -6.458 4.223 1.00 0.00 C ATOM 797 C GLY A 52 7.296 -6.509 5.499 1.00 0.00 C ATOM 798 O GLY A 52 6.621 -5.548 5.869 1.00 0.00 O ATOM 0 H GLY A 52 7.970 -4.410 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.485 -6.754 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.924 -7.182 4.286 1.00 0.00 H new ATOM 802 N PRO A 53 7.350 -7.654 6.196 1.00 0.00 N ATOM 803 CA PRO A 53 6.615 -7.855 7.448 1.00 0.00 C ATOM 804 C PRO A 53 7.178 -7.018 8.592 1.00 0.00 C ATOM 805 O PRO A 53 8.394 -6.888 8.738 1.00 0.00 O ATOM 806 CB PRO A 53 6.802 -9.347 7.735 1.00 0.00 C ATOM 807 CG PRO A 53 8.070 -9.709 7.041 1.00 0.00 C ATOM 808 CD PRO A 53 8.134 -8.841 5.815 1.00 0.00 C ATOM 0 HA PRO A 53 5.572 -7.552 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.868 -9.539 8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.963 -9.931 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.931 -9.536 7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.080 -10.765 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.161 -8.580 5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.708 -9.342 4.945 1.00 0.00 H new ATOM 816 N CYS A 54 6.288 -6.453 9.400 1.00 0.00 N ATOM 817 CA CYS A 54 6.697 -5.628 10.531 1.00 0.00 C ATOM 818 C CYS A 54 7.774 -6.329 11.354 1.00 0.00 C ATOM 819 O CYS A 54 7.489 -7.269 12.094 1.00 0.00 O ATOM 820 CB CYS A 54 5.492 -5.305 11.415 1.00 0.00 C ATOM 821 SG CYS A 54 5.924 -4.595 13.021 1.00 0.00 S ATOM 0 H CYS A 54 5.278 -6.551 9.293 1.00 0.00 H new ATOM 0 HA CYS A 54 7.111 -4.699 10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.842 -4.609 10.885 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.918 -6.217 11.576 1.00 0.00 H new ATOM 0 HG CYS A 54 5.309 -3.460 13.173 1.00 0.00 H new ATOM 827 N ASN A 55 9.011 -5.865 11.216 1.00 0.00 N ATOM 828 CA ASN A 55 10.132 -6.449 11.945 1.00 0.00 C ATOM 829 C ASN A 55 10.803 -5.408 12.836 1.00 0.00 C ATOM 830 O ASN A 55 11.940 -5.588 13.271 1.00 0.00 O ATOM 831 CB ASN A 55 11.153 -7.035 10.969 1.00 0.00 C ATOM 832 CG ASN A 55 12.132 -5.993 10.461 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.314 -6.019 10.801 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.641 -5.070 9.643 1.00 0.00 N ATOM 0 H ASN A 55 9.263 -5.087 10.607 1.00 0.00 H new ATOM 0 HA ASN A 55 9.745 -7.248 12.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.703 -7.837 11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.629 -7.480 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.251 -4.343 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.654 -5.088 9.388 1.00 0.00 H new ATOM 841 N MET A 56 10.090 -4.318 13.104 1.00 0.00 N ATOM 842 CA MET A 56 10.616 -3.249 13.944 1.00 0.00 C ATOM 843 C MET A 56 10.168 -3.425 15.392 1.00 0.00 C ATOM 844 O MET A 56 9.156 -4.065 15.680 1.00 0.00 O ATOM 845 CB MET A 56 10.159 -1.886 13.419 1.00 0.00 C ATOM 846 CG MET A 56 8.692 -1.848 13.024 1.00 0.00 C ATOM 847 SD MET A 56 8.116 -0.180 12.652 1.00 0.00 S ATOM 848 CE MET A 56 8.592 0.683 14.147 1.00 0.00 C ATOM 0 H MET A 56 9.147 -4.153 12.752 1.00 0.00 H new ATOM 0 HA MET A 56 11.704 -3.297 13.910 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.340 -1.132 14.184 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.767 -1.616 12.555 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.538 -2.484 12.153 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.091 -2.264 13.833 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.849 1.446 14.379 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.654 -0.026 14.972 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.563 1.155 14.001 1.00 0.00 H new ATOM 858 N PRO A 57 10.937 -2.844 16.325 1.00 0.00 N ATOM 859 CA PRO A 57 10.638 -2.923 17.758 1.00 0.00 C ATOM 860 C PRO A 57 9.399 -2.118 18.137 1.00 0.00 C ATOM 861 O PRO A 57 9.214 -0.991 17.678 1.00 0.00 O ATOM 862 CB PRO A 57 11.885 -2.326 18.414 1.00 0.00 C ATOM 863 CG PRO A 57 12.463 -1.424 17.378 1.00 0.00 C ATOM 864 CD PRO A 57 12.157 -2.066 16.053 1.00 0.00 C ATOM 0 HA PRO A 57 10.421 -3.944 18.073 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.631 -1.776 19.320 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.592 -3.104 18.701 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.025 -0.428 17.439 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.538 -1.309 17.517 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.993 -1.321 15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.974 -2.704 15.717 1.00 0.00 H new ATOM 872 N LYS A 58 8.554 -2.703 18.978 1.00 0.00 N ATOM 873 CA LYS A 58 7.333 -2.040 19.421 1.00 0.00 C ATOM 874 C LYS A 58 7.655 -0.747 20.163 1.00 0.00 C ATOM 875 O LYS A 58 8.428 -0.729 21.121 1.00 0.00 O ATOM 876 CB LYS A 58 6.522 -2.971 20.325 1.00 0.00 C ATOM 877 CG LYS A 58 5.102 -2.492 20.575 1.00 0.00 C ATOM 878 CD LYS A 58 4.188 -3.639 20.971 1.00 0.00 C ATOM 879 CE LYS A 58 2.851 -3.132 21.490 1.00 0.00 C ATOM 880 NZ LYS A 58 2.929 -2.721 22.919 1.00 0.00 N ATOM 0 H LYS A 58 8.692 -3.636 19.367 1.00 0.00 H new ATOM 0 HA LYS A 58 6.742 -1.795 18.539 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.488 -3.963 19.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.035 -3.073 21.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.105 -1.739 21.363 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.716 -2.011 19.676 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.023 -4.288 20.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.672 -4.243 21.738 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.525 -2.285 20.886 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.098 -3.912 21.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.007 -2.350 23.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.182 -3.543 23.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.653 -1.982 23.029 1.00 0.00 H new ATOM 894 N PRO A 59 7.048 0.362 19.713 1.00 0.00 N ATOM 895 CA PRO A 59 7.253 1.679 20.322 1.00 0.00 C ATOM 896 C PRO A 59 6.627 1.781 21.709 1.00 0.00 C ATOM 897 O PRO A 59 5.841 0.924 22.110 1.00 0.00 O ATOM 898 CB PRO A 59 6.555 2.632 19.349 1.00 0.00 C ATOM 899 CG PRO A 59 5.527 1.795 18.670 1.00 0.00 C ATOM 900 CD PRO A 59 6.114 0.414 18.576 1.00 0.00 C ATOM 0 HA PRO A 59 8.310 1.899 20.471 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.098 3.470 19.875 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.260 3.052 18.632 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.596 1.785 19.236 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.295 2.189 17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.345 -0.355 18.652 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.627 0.259 17.627 1.00 0.00 H new ATOM 908 N GLY A 60 6.981 2.836 22.437 1.00 0.00 N ATOM 909 CA GLY A 60 6.444 3.030 23.771 1.00 0.00 C ATOM 910 C GLY A 60 5.111 3.752 23.759 1.00 0.00 C ATOM 911 O GLY A 60 4.853 4.581 22.887 1.00 0.00 O ATOM 0 H GLY A 60 7.630 3.559 22.127 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.325 2.061 24.256 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.157 3.599 24.367 1.00 0.00 H new ATOM 915 N VAL A 61 4.260 3.435 24.731 1.00 0.00 N ATOM 916 CA VAL A 61 2.946 4.059 24.829 1.00 0.00 C ATOM 917 C VAL A 61 3.029 5.560 24.574 1.00 0.00 C ATOM 918 O VAL A 61 2.318 6.097 23.724 1.00 0.00 O ATOM 919 CB VAL A 61 2.313 3.819 26.212 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.837 2.380 26.339 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.300 4.162 27.317 1.00 0.00 C ATOM 0 H VAL A 61 4.457 2.750 25.461 1.00 0.00 H new ATOM 0 HA VAL A 61 2.319 3.598 24.065 1.00 0.00 H new ATOM 0 HB VAL A 61 1.447 4.473 26.314 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.393 2.229 27.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.093 2.174 25.569 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.684 1.705 26.216 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.835 3.986 28.287 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.187 3.535 27.220 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.586 5.211 27.236 1.00 0.00 H new ATOM 931 N PHE A 62 3.903 6.233 25.315 1.00 0.00 N ATOM 932 CA PHE A 62 4.080 7.673 25.170 1.00 0.00 C ATOM 933 C PHE A 62 4.208 8.060 23.700 1.00 0.00 C ATOM 934 O PHE A 62 3.791 9.144 23.294 1.00 0.00 O ATOM 935 CB PHE A 62 5.318 8.136 25.941 1.00 0.00 C ATOM 936 CG PHE A 62 5.163 8.048 27.433 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.611 9.098 28.148 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.569 6.915 28.119 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.468 9.020 29.521 1.00 0.00 C ATOM 940 CE2 PHE A 62 5.428 6.830 29.491 1.00 0.00 C ATOM 941 CZ PHE A 62 4.876 7.884 30.193 1.00 0.00 C ATOM 0 H PHE A 62 4.500 5.804 26.022 1.00 0.00 H new ATOM 0 HA PHE A 62 3.199 8.166 25.581 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.173 7.532 25.636 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.542 9.167 25.667 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.289 9.988 27.627 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.001 6.088 27.575 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.038 9.846 30.068 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.749 5.941 30.014 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.764 7.820 31.265 1.00 0.00 H new ATOM 951 N ASP A 63 4.789 7.165 22.908 1.00 0.00 N ATOM 952 CA ASP A 63 4.973 7.412 21.482 1.00 0.00 C ATOM 953 C ASP A 63 3.729 7.007 20.696 1.00 0.00 C ATOM 954 O ASP A 63 3.764 6.070 19.898 1.00 0.00 O ATOM 955 CB ASP A 63 6.191 6.646 20.963 1.00 0.00 C ATOM 956 CG ASP A 63 7.485 7.409 21.168 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.594 8.539 20.649 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.388 6.875 21.845 1.00 0.00 O ATOM 0 H ASP A 63 5.140 6.263 23.229 1.00 0.00 H new ATOM 0 HA ASP A 63 5.138 8.480 21.341 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.255 5.684 21.471 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.060 6.437 19.901 1.00 0.00 H new ATOM 963 N LEU A 64 2.632 7.719 20.928 1.00 0.00 N ATOM 964 CA LEU A 64 1.376 7.434 20.243 1.00 0.00 C ATOM 965 C LEU A 64 1.566 7.450 18.729 1.00 0.00 C ATOM 966 O LEU A 64 1.028 6.602 18.018 1.00 0.00 O ATOM 967 CB LEU A 64 0.310 8.455 20.645 1.00 0.00 C ATOM 968 CG LEU A 64 0.154 8.707 22.145 1.00 0.00 C ATOM 969 CD1 LEU A 64 -0.779 9.881 22.395 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.359 7.457 22.845 1.00 0.00 C ATOM 0 H LEU A 64 2.587 8.498 21.585 1.00 0.00 H new ATOM 0 HA LEU A 64 1.047 6.438 20.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.542 9.403 20.160 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.650 8.122 20.251 1.00 0.00 H new ATOM 0 HG LEU A 64 1.133 8.954 22.556 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.878 10.045 23.468 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.370 10.777 21.927 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.759 9.664 21.969 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.464 7.655 23.912 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.328 7.179 22.430 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.347 6.640 22.695 1.00 0.00 H new ATOM 982 N ILE A 65 2.337 8.418 18.245 1.00 0.00 N ATOM 983 CA ILE A 65 2.600 8.542 16.817 1.00 0.00 C ATOM 984 C ILE A 65 3.103 7.225 16.235 1.00 0.00 C ATOM 985 O ILE A 65 2.517 6.685 15.297 1.00 0.00 O ATOM 986 CB ILE A 65 3.635 9.646 16.529 1.00 0.00 C ATOM 987 CG1 ILE A 65 3.098 11.007 16.975 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.987 9.668 15.049 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.794 11.389 16.311 1.00 0.00 C ATOM 0 H ILE A 65 2.790 9.128 18.821 1.00 0.00 H new ATOM 0 HA ILE A 65 1.655 8.809 16.344 1.00 0.00 H new ATOM 0 HB ILE A 65 4.541 9.431 17.095 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.957 10.996 18.056 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.844 11.772 16.759 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.719 10.453 14.861 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.406 8.704 14.760 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.088 9.863 14.464 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.473 12.365 16.675 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.935 11.432 15.231 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.033 10.645 16.548 1.00 0.00 H new ATOM 1001 N ASN A 66 4.192 6.712 16.799 1.00 0.00 N ATOM 1002 CA ASN A 66 4.773 5.457 16.337 1.00 0.00 C ATOM 1003 C ASN A 66 3.815 4.294 16.574 1.00 0.00 C ATOM 1004 O ASN A 66 3.500 3.537 15.655 1.00 0.00 O ATOM 1005 CB ASN A 66 6.100 5.192 17.051 1.00 0.00 C ATOM 1006 CG ASN A 66 7.160 6.220 16.701 1.00 0.00 C ATOM 1007 OD1 ASN A 66 8.011 5.983 15.845 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.111 7.369 17.366 1.00 0.00 N ATOM 0 H ASN A 66 4.690 7.146 17.576 1.00 0.00 H new ATOM 0 HA ASN A 66 4.955 5.543 15.266 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.937 5.195 18.129 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.460 4.198 16.786 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.798 8.099 17.175 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.387 7.522 18.068 1.00 0.00 H new ATOM 1015 N LYS A 67 3.353 4.157 17.812 1.00 0.00 N ATOM 1016 CA LYS A 67 2.429 3.088 18.172 1.00 0.00 C ATOM 1017 C LYS A 67 1.287 2.995 17.164 1.00 0.00 C ATOM 1018 O LYS A 67 0.839 1.902 16.820 1.00 0.00 O ATOM 1019 CB LYS A 67 1.867 3.322 19.576 1.00 0.00 C ATOM 1020 CG LYS A 67 1.405 2.051 20.266 1.00 0.00 C ATOM 1021 CD LYS A 67 2.582 1.193 20.700 1.00 0.00 C ATOM 1022 CE LYS A 67 2.208 0.277 21.855 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.919 -0.428 21.610 1.00 0.00 N ATOM 0 H LYS A 67 3.604 4.774 18.584 1.00 0.00 H new ATOM 0 HA LYS A 67 2.979 2.147 18.161 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.631 3.801 20.189 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.029 4.016 19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.800 2.307 21.136 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.767 1.481 19.591 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.928 0.595 19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.411 1.835 20.997 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.000 -0.457 22.008 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.134 0.861 22.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.791 -1.175 22.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.134 0.251 21.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.931 -0.854 20.661 1.00 0.00 H new ATOM 1037 N ALA A 68 0.823 4.148 16.694 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.264 4.195 15.724 1.00 0.00 C ATOM 1039 C ALA A 68 0.110 3.454 14.445 1.00 0.00 C ATOM 1040 O ALA A 68 -0.679 2.671 13.915 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.631 5.638 15.413 1.00 0.00 C ATOM 0 H ALA A 68 1.183 5.062 16.969 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.130 3.698 16.161 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.444 5.658 14.687 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.949 6.138 16.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.236 6.153 15.001 1.00 0.00 H new ATOM 1047 N LYS A 69 1.318 3.707 13.952 1.00 0.00 N ATOM 1048 CA LYS A 69 1.797 3.064 12.734 1.00 0.00 C ATOM 1049 C LYS A 69 2.128 1.597 12.988 1.00 0.00 C ATOM 1050 O LYS A 69 1.690 0.716 12.248 1.00 0.00 O ATOM 1051 CB LYS A 69 3.034 3.792 12.201 1.00 0.00 C ATOM 1052 CG LYS A 69 2.708 4.915 11.232 1.00 0.00 C ATOM 1053 CD LYS A 69 2.451 6.224 11.960 1.00 0.00 C ATOM 1054 CE LYS A 69 2.087 7.338 10.992 1.00 0.00 C ATOM 1055 NZ LYS A 69 1.367 8.451 11.672 1.00 0.00 N ATOM 0 H LYS A 69 1.983 4.353 14.377 1.00 0.00 H new ATOM 0 HA LYS A 69 1.003 3.116 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.595 4.200 13.041 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.683 3.071 11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.533 5.043 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.830 4.646 10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.644 6.089 12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.339 6.507 12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.993 7.724 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.463 6.936 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.136 9.191 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.489 8.089 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.972 8.852 12.417 1.00 0.00 H new ATOM 1069 N TRP A 70 2.901 1.343 14.037 1.00 0.00 N ATOM 1070 CA TRP A 70 3.289 -0.019 14.389 1.00 0.00 C ATOM 1071 C TRP A 70 2.097 -0.965 14.297 1.00 0.00 C ATOM 1072 O TRP A 70 2.199 -2.054 13.732 1.00 0.00 O ATOM 1073 CB TRP A 70 3.878 -0.055 15.800 1.00 0.00 C ATOM 1074 CG TRP A 70 4.712 -1.272 16.064 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.024 -1.454 15.734 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.289 -2.477 16.713 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.443 -2.699 16.138 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.397 -3.345 16.742 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.082 -2.905 17.273 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.332 -4.616 17.308 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.019 -4.166 17.834 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.138 -5.009 17.849 1.00 0.00 C ATOM 0 H TRP A 70 3.272 2.061 14.659 1.00 0.00 H new ATOM 0 HA TRP A 70 4.047 -0.350 13.679 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.488 0.835 15.954 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.066 -0.015 16.526 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.642 -0.726 15.229 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.380 -3.080 16.009 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.214 -2.262 17.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.193 -5.268 17.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.091 -4.508 18.268 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.057 -5.989 18.296 1.00 0.00 H new ATOM 1093 N ASP A 71 0.968 -0.543 14.856 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.244 -1.354 14.835 1.00 0.00 C ATOM 1095 C ASP A 71 -0.781 -1.494 13.414 1.00 0.00 C ATOM 1096 O ASP A 71 -1.459 -2.468 13.090 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.312 -0.734 15.738 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.132 -1.115 17.194 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.207 -2.322 17.506 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -0.914 -0.206 18.022 1.00 0.00 O ATOM 0 H ASP A 71 0.867 0.355 15.329 1.00 0.00 H new ATOM 0 HA ASP A 71 0.006 -2.347 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.279 0.351 15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.298 -1.053 15.401 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.472 -0.514 12.571 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.922 -0.528 11.185 1.00 0.00 C ATOM 1107 C ALA A 72 -0.066 -1.465 10.340 1.00 0.00 C ATOM 1108 O ALA A 72 -0.587 -2.315 9.617 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.896 0.879 10.607 1.00 0.00 C ATOM 0 H ALA A 72 0.088 0.300 12.824 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.947 -0.898 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.235 0.853 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.555 1.523 11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.121 1.270 10.647 1.00 0.00 H new ATOM 1115 N TRP A 73 1.249 -1.304 10.435 1.00 0.00 N ATOM 1116 CA TRP A 73 2.178 -2.136 9.677 1.00 0.00 C ATOM 1117 C TRP A 73 2.268 -3.535 10.276 1.00 0.00 C ATOM 1118 O TRP A 73 2.498 -4.511 9.563 1.00 0.00 O ATOM 1119 CB TRP A 73 3.564 -1.491 9.647 1.00 0.00 C ATOM 1120 CG TRP A 73 4.549 -2.238 8.800 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.268 -3.204 7.876 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.972 -2.083 8.801 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.431 -3.658 7.302 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.490 -2.986 7.852 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.859 -1.268 9.510 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.855 -3.095 7.597 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.213 -1.378 9.255 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.700 -2.285 8.305 1.00 0.00 C ATOM 0 H TRP A 73 1.696 -0.606 11.029 1.00 0.00 H new ATOM 0 HA TRP A 73 1.802 -2.221 8.657 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.474 -0.471 9.273 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.948 -1.425 10.665 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.277 -3.559 7.632 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.495 -4.379 6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.493 -0.565 10.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.233 -3.794 6.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.908 -0.754 9.798 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.764 -2.346 8.128 1.00 0.00 H new ATOM 1139 N ASN A 74 2.084 -3.625 11.589 1.00 0.00 N ATOM 1140 CA ASN A 74 2.145 -4.906 12.283 1.00 0.00 C ATOM 1141 C ASN A 74 1.003 -5.818 11.845 1.00 0.00 C ATOM 1142 O ASN A 74 1.221 -6.974 11.485 1.00 0.00 O ATOM 1143 CB ASN A 74 2.089 -4.693 13.797 1.00 0.00 C ATOM 1144 CG ASN A 74 1.907 -5.992 14.558 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.310 -7.058 14.093 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.298 -5.908 15.735 1.00 0.00 N ATOM 0 H ASN A 74 1.891 -2.826 12.194 1.00 0.00 H new ATOM 0 HA ASN A 74 3.089 -5.385 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.007 -4.208 14.127 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.268 -4.017 14.036 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.148 -6.749 16.293 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.980 -5.003 16.081 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.215 -5.287 11.876 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.392 -6.051 11.479 1.00 0.00 C ATOM 1155 C ALA A 75 -1.089 -6.942 10.280 1.00 0.00 C ATOM 1156 O ALA A 75 -1.372 -8.141 10.296 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.548 -5.114 11.165 1.00 0.00 C ATOM 0 H ALA A 75 -0.413 -4.331 12.172 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.676 -6.693 12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.420 -5.698 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.789 -4.524 12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.265 -4.448 10.350 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.511 -6.350 9.240 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.170 -7.091 8.030 1.00 0.00 C ATOM 1165 C LEU A 76 0.393 -8.466 8.374 1.00 0.00 C ATOM 1166 O LEU A 76 -0.089 -9.486 7.884 1.00 0.00 O ATOM 1167 CB LEU A 76 0.844 -6.305 7.197 1.00 0.00 C ATOM 1168 CG LEU A 76 0.285 -5.135 6.387 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.327 -5.631 5.086 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.743 -4.365 7.203 1.00 0.00 C ATOM 0 H LEU A 76 -0.269 -5.360 9.210 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.081 -7.228 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.615 -5.922 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.333 -6.996 6.510 1.00 0.00 H new ATOM 0 HG LEU A 76 1.106 -4.460 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.720 -4.785 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.436 -6.138 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.136 -6.327 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.130 -3.536 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.562 -5.030 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.273 -3.977 8.107 1.00 0.00 H new ATOM 1182 N GLY A 77 1.417 -8.485 9.222 1.00 0.00 N ATOM 1183 CA GLY A 77 2.028 -9.740 9.619 1.00 0.00 C ATOM 1184 C GLY A 77 3.042 -10.237 8.608 1.00 0.00 C ATOM 1185 O GLY A 77 4.026 -9.555 8.320 1.00 0.00 O ATOM 0 H GLY A 77 1.834 -7.654 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.516 -9.613 10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.251 -10.493 9.750 1.00 0.00 H new ATOM 1189 N SER A 78 2.804 -11.429 8.070 1.00 0.00 N ATOM 1190 CA SER A 78 3.708 -12.018 7.089 1.00 0.00 C ATOM 1191 C SER A 78 3.218 -11.751 5.669 1.00 0.00 C ATOM 1192 O SER A 78 3.430 -12.560 4.764 1.00 0.00 O ATOM 1193 CB SER A 78 3.835 -13.525 7.322 1.00 0.00 C ATOM 1194 OG SER A 78 4.924 -14.064 6.594 1.00 0.00 O ATOM 0 H SER A 78 1.994 -12.005 8.297 1.00 0.00 H new ATOM 0 HA SER A 78 4.687 -11.555 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.972 -13.721 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.912 -14.021 7.022 1.00 0.00 H new ATOM 0 HG SER A 78 4.808 -13.869 5.641 1.00 0.00 H new ATOM 1200 N LEU A 79 2.562 -10.612 5.481 1.00 0.00 N ATOM 1201 CA LEU A 79 2.041 -10.236 4.171 1.00 0.00 C ATOM 1202 C LEU A 79 3.177 -9.952 3.194 1.00 0.00 C ATOM 1203 O LEU A 79 4.021 -9.085 3.419 1.00 0.00 O ATOM 1204 CB LEU A 79 1.139 -9.006 4.293 1.00 0.00 C ATOM 1205 CG LEU A 79 0.204 -8.741 3.113 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.004 -8.482 1.845 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.750 -9.909 2.914 1.00 0.00 C ATOM 0 H LEU A 79 2.378 -9.932 6.219 1.00 0.00 H new ATOM 0 HA LEU A 79 1.456 -11.072 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.534 -9.111 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.771 -8.129 4.434 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.385 -7.851 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.321 -8.295 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.645 -7.612 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.620 -9.353 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.408 -9.702 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.179 -10.816 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.348 -10.048 3.814 1.00 0.00 H new ATOM 1219 N PRO A 80 3.200 -10.700 2.080 1.00 0.00 N ATOM 1220 CA PRO A 80 4.226 -10.545 1.044 1.00 0.00 C ATOM 1221 C PRO A 80 4.085 -9.234 0.279 1.00 0.00 C ATOM 1222 O PRO A 80 2.974 -8.762 0.036 1.00 0.00 O ATOM 1223 CB PRO A 80 3.975 -11.736 0.116 1.00 0.00 C ATOM 1224 CG PRO A 80 2.536 -12.070 0.309 1.00 0.00 C ATOM 1225 CD PRO A 80 2.227 -11.752 1.746 1.00 0.00 C ATOM 0 HA PRO A 80 5.231 -10.520 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.186 -11.480 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.615 -12.580 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.906 -11.488 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.347 -13.121 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.201 -11.404 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.346 -12.627 2.385 1.00 0.00 H new ATOM 1233 N LYS A 81 5.217 -8.649 -0.098 1.00 0.00 N ATOM 1234 CA LYS A 81 5.220 -7.392 -0.837 1.00 0.00 C ATOM 1235 C LYS A 81 4.266 -7.458 -2.026 1.00 0.00 C ATOM 1236 O LYS A 81 3.420 -6.583 -2.203 1.00 0.00 O ATOM 1237 CB LYS A 81 6.634 -7.065 -1.322 1.00 0.00 C ATOM 1238 CG LYS A 81 7.710 -7.336 -0.284 1.00 0.00 C ATOM 1239 CD LYS A 81 8.894 -6.399 -0.451 1.00 0.00 C ATOM 1240 CE LYS A 81 9.848 -6.490 0.730 1.00 0.00 C ATOM 1241 NZ LYS A 81 10.886 -7.537 0.526 1.00 0.00 N ATOM 0 H LYS A 81 6.145 -9.026 0.096 1.00 0.00 H new ATOM 0 HA LYS A 81 4.882 -6.603 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.847 -7.651 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.676 -6.015 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.291 -7.219 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.047 -8.369 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.427 -6.644 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.537 -5.374 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.331 -5.525 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.284 -6.710 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.516 -7.567 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.427 -8.462 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.442 -7.314 -0.324 1.00 0.00 H new ATOM 1255 N GLU A 82 4.410 -8.502 -2.837 1.00 0.00 N ATOM 1256 CA GLU A 82 3.560 -8.681 -4.009 1.00 0.00 C ATOM 1257 C GLU A 82 2.104 -8.368 -3.677 1.00 0.00 C ATOM 1258 O GLU A 82 1.397 -7.746 -4.469 1.00 0.00 O ATOM 1259 CB GLU A 82 3.678 -10.112 -4.538 1.00 0.00 C ATOM 1260 CG GLU A 82 5.047 -10.438 -5.111 1.00 0.00 C ATOM 1261 CD GLU A 82 5.252 -9.859 -6.498 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.602 -10.345 -7.446 1.00 0.00 O ATOM 1263 OE2 GLU A 82 6.063 -8.919 -6.634 1.00 0.00 O ATOM 0 H GLU A 82 5.106 -9.236 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 82 3.896 -7.988 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.457 -10.809 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.924 -10.269 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.817 -10.053 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.172 -11.520 -5.151 1.00 0.00 H new ATOM 1270 N ALA A 83 1.664 -8.805 -2.502 1.00 0.00 N ATOM 1271 CA ALA A 83 0.293 -8.571 -2.065 1.00 0.00 C ATOM 1272 C ALA A 83 0.143 -7.186 -1.445 1.00 0.00 C ATOM 1273 O ALA A 83 -0.867 -6.512 -1.644 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.136 -9.644 -1.075 1.00 0.00 C ATOM 0 H ALA A 83 2.237 -9.323 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.354 -8.620 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.162 -9.457 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.077 -10.623 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.523 -9.622 -0.207 1.00 0.00 H new ATOM 1280 N ALA A 84 1.156 -6.767 -0.693 1.00 0.00 N ATOM 1281 CA ALA A 84 1.137 -5.461 -0.045 1.00 0.00 C ATOM 1282 C ALA A 84 0.787 -4.360 -1.040 1.00 0.00 C ATOM 1283 O ALA A 84 -0.088 -3.533 -0.782 1.00 0.00 O ATOM 1284 CB ALA A 84 2.482 -5.177 0.608 1.00 0.00 C ATOM 0 H ALA A 84 2.000 -7.313 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 84 0.367 -5.476 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.454 -4.199 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.692 -5.942 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.264 -5.186 -0.151 1.00 0.00 H new ATOM 1290 N ARG A 85 1.475 -4.354 -2.177 1.00 0.00 N ATOM 1291 CA ARG A 85 1.238 -3.353 -3.209 1.00 0.00 C ATOM 1292 C ARG A 85 -0.201 -3.422 -3.713 1.00 0.00 C ATOM 1293 O ARG A 85 -0.845 -2.395 -3.922 1.00 0.00 O ATOM 1294 CB ARG A 85 2.208 -3.552 -4.375 1.00 0.00 C ATOM 1295 CG ARG A 85 3.544 -2.855 -4.181 1.00 0.00 C ATOM 1296 CD ARG A 85 4.282 -2.686 -5.500 1.00 0.00 C ATOM 1297 NE ARG A 85 5.725 -2.572 -5.310 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.615 -2.821 -6.265 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.210 -3.195 -7.470 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.911 -2.694 -6.014 1.00 0.00 N ATOM 0 H ARG A 85 2.202 -5.032 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 85 1.405 -2.369 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.381 -4.619 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.744 -3.182 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.383 -1.878 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.159 -3.431 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.068 -3.537 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.912 -1.797 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 85 6.069 -2.285 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.214 -3.292 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.895 -3.386 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.225 -2.405 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.594 -2.885 -6.747 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.697 -4.640 -3.906 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.059 -4.843 -4.386 1.00 0.00 C ATOM 1316 C GLN A 86 -3.073 -4.261 -3.408 1.00 0.00 C ATOM 1317 O GLN A 86 -4.092 -3.703 -3.814 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.332 -6.334 -4.596 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.725 -6.628 -5.128 1.00 0.00 C ATOM 1320 CD GLN A 86 -3.897 -6.213 -6.576 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -3.631 -6.992 -7.492 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.344 -4.982 -6.790 1.00 0.00 N ATOM 0 H GLN A 86 -0.176 -5.501 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.162 -4.325 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.594 -6.736 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.196 -6.857 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.928 -7.695 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.461 -6.108 -4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.552 -4.370 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.480 -4.647 -7.744 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.788 -4.395 -2.117 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.676 -3.883 -1.080 1.00 0.00 C ATOM 1333 C ASN A 87 -3.642 -2.359 -1.039 1.00 0.00 C ATOM 1334 O ASN A 87 -4.678 -1.707 -0.900 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.282 -4.451 0.285 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.586 -5.932 0.405 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.729 -6.325 0.639 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.561 -6.761 0.246 1.00 0.00 N ATOM 0 H ASN A 87 -1.948 -4.854 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.692 -4.200 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.217 -4.287 0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.813 -3.909 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.704 -7.768 0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.630 -6.390 0.053 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.445 -1.796 -1.160 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.275 -0.348 -1.134 1.00 0.00 C ATOM 1347 C TYR A 88 -3.109 0.318 -2.225 1.00 0.00 C ATOM 1348 O TYR A 88 -3.901 1.220 -1.953 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.800 0.016 -1.311 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.510 1.486 -1.102 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.064 2.449 -1.936 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.318 1.910 -0.070 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.801 3.792 -1.749 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.585 3.252 0.126 1.00 0.00 C ATOM 1355 CZ TYR A 88 0.024 4.188 -0.717 1.00 0.00 C ATOM 1356 OH TYR A 88 0.287 5.526 -0.527 1.00 0.00 O ATOM 0 H TYR A 88 -1.578 -2.320 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.619 0.016 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.204 -0.567 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.482 -0.270 -2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.711 2.142 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.760 1.179 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.239 4.528 -2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.229 3.565 0.934 1.00 0.00 H new ATOM 0 HH TYR A 88 0.884 5.636 0.242 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.925 -0.135 -3.461 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.660 0.414 -4.594 1.00 0.00 C ATOM 1368 C VAL A 89 -5.151 0.118 -4.476 1.00 0.00 C ATOM 1369 O VAL A 89 -5.987 0.999 -4.678 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.139 -0.151 -5.928 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.740 0.370 -6.219 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.157 -1.672 -5.906 1.00 0.00 C ATOM 0 H VAL A 89 -2.273 -0.881 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.504 1.493 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.799 0.185 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.389 -0.040 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.763 1.458 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.065 0.066 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.786 -2.054 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.521 -2.032 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.177 -2.022 -5.748 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.477 -1.128 -4.149 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.868 -1.541 -4.003 1.00 0.00 C ATOM 1384 C ASP A 90 -7.634 -0.567 -3.113 1.00 0.00 C ATOM 1385 O ASP A 90 -8.852 -0.430 -3.229 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.944 -2.952 -3.418 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.252 -3.210 -2.696 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.266 -3.468 -3.379 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.261 -3.155 -1.449 1.00 0.00 O ATOM 0 H ASP A 90 -4.797 -1.869 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.327 -1.540 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.825 -3.681 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.115 -3.100 -2.726 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.912 0.108 -2.225 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.523 1.070 -1.315 1.00 0.00 C ATOM 1396 C LEU A 91 -7.725 2.417 -2.000 1.00 0.00 C ATOM 1397 O LEU A 91 -8.853 2.887 -2.150 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.655 1.244 -0.067 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.248 2.106 1.048 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.101 3.583 0.716 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.710 1.751 1.277 1.00 0.00 C ATOM 0 H LEU A 91 -5.903 0.007 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.499 0.684 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.438 0.257 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.703 1.680 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.698 1.905 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.529 4.181 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.045 3.827 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.624 3.800 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.115 2.374 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.274 1.922 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.789 0.702 1.561 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.623 3.034 -2.417 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.679 4.326 -3.090 1.00 0.00 C ATOM 1415 C VAL A 92 -7.765 4.342 -4.160 1.00 0.00 C ATOM 1416 O VAL A 92 -8.431 5.356 -4.367 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.328 4.678 -3.741 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.409 6.024 -4.445 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.219 4.679 -2.699 1.00 0.00 C ATOM 0 H VAL A 92 -5.681 2.660 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.912 5.070 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.095 3.918 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.445 6.256 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.175 5.984 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.665 6.798 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.272 4.930 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.444 5.417 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.146 3.691 -2.244 1.00 0.00 H new ATOM 1429 N SER A 93 -7.939 3.211 -4.836 1.00 0.00 N ATOM 1430 CA SER A 93 -8.943 3.096 -5.887 1.00 0.00 C ATOM 1431 C SER A 93 -10.351 3.137 -5.301 1.00 0.00 C ATOM 1432 O SER A 93 -11.288 3.616 -5.940 1.00 0.00 O ATOM 1433 CB SER A 93 -8.743 1.798 -6.673 1.00 0.00 C ATOM 1434 OG SER A 93 -9.264 1.911 -7.986 1.00 0.00 O ATOM 0 H SER A 93 -7.398 2.362 -4.675 1.00 0.00 H new ATOM 0 HA SER A 93 -8.825 3.943 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.681 1.557 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.234 0.975 -6.153 1.00 0.00 H new ATOM 0 HG SER A 93 -9.122 1.069 -8.468 1.00 0.00 H new ATOM 1440 N SER A 94 -10.492 2.631 -4.080 1.00 0.00 N ATOM 1441 CA SER A 94 -11.785 2.606 -3.407 1.00 0.00 C ATOM 1442 C SER A 94 -12.259 4.021 -3.088 1.00 0.00 C ATOM 1443 O SER A 94 -13.449 4.324 -3.178 1.00 0.00 O ATOM 1444 CB SER A 94 -11.699 1.782 -2.121 1.00 0.00 C ATOM 1445 OG SER A 94 -12.985 1.567 -1.566 1.00 0.00 O ATOM 0 H SER A 94 -9.726 2.233 -3.537 1.00 0.00 H new ATOM 0 HA SER A 94 -12.508 2.142 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.225 0.823 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.068 2.297 -1.397 1.00 0.00 H new ATOM 0 HG SER A 94 -12.903 1.037 -0.746 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.319 4.882 -2.715 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.639 6.266 -2.382 1.00 0.00 C ATOM 1453 C LEU A 95 -12.102 7.031 -3.618 1.00 0.00 C ATOM 1454 O LEU A 95 -13.124 7.716 -3.590 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.421 6.958 -1.766 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.966 6.429 -0.406 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.516 6.808 -0.144 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.866 6.958 0.701 1.00 0.00 C ATOM 0 H LEU A 95 -10.330 4.647 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.452 6.260 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.588 6.873 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.644 8.020 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.040 5.342 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.209 6.423 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.882 6.379 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.416 7.893 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.527 6.571 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.825 8.047 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.892 6.635 0.521 1.00 0.00 H new