USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 32 GLN : amide:sc= -2.1! C(o=-3.3!,f=-8.9!) USER MOD Set 1.2: A 37 SER OG : rot -65:sc= -1.22 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 26 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.64 F(o=-1.8,f=-0.64) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -150:sc= -0.482 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 65 SER OG : rot 180:sc= -0.539 USER MOD Single : A 69 CYS SG : rot 180:sc=-0.000972 USER MOD Single : A 74 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 79 CYS SG : rot 170:sc= -0.117 USER MOD Single : A 83 HIS : no HD1:sc= -10.4! C(o=-10!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 277 N GLU A 19 94.641 -11.601 8.483 1.00 0.00 N ATOM 278 CA GLU A 19 95.669 -11.039 7.571 1.00 0.00 C ATOM 279 C GLU A 19 95.230 -9.646 7.131 1.00 0.00 C ATOM 280 O GLU A 19 96.035 -8.761 6.921 1.00 0.00 O ATOM 281 CB GLU A 19 95.718 -11.997 6.379 1.00 0.00 C ATOM 282 CG GLU A 19 96.610 -13.192 6.720 1.00 0.00 C ATOM 283 CD GLU A 19 98.002 -12.977 6.124 1.00 0.00 C ATOM 284 OE1 GLU A 19 98.100 -12.895 4.911 1.00 0.00 O ATOM 285 OE2 GLU A 19 98.948 -12.899 6.891 1.00 0.00 O ATOM 0 HA GLU A 19 96.649 -10.945 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 94.713 -12.339 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 19 96.104 -11.481 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 96.680 -13.310 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 19 96.172 -14.110 6.327 1.00 0.00 H new ATOM 292 N GLN A 20 93.947 -9.447 7.006 1.00 0.00 N ATOM 293 CA GLN A 20 93.431 -8.118 6.599 1.00 0.00 C ATOM 294 C GLN A 20 92.476 -7.590 7.673 1.00 0.00 C ATOM 295 O GLN A 20 92.255 -6.404 7.792 1.00 0.00 O ATOM 296 CB GLN A 20 92.691 -8.357 5.279 1.00 0.00 C ATOM 297 CG GLN A 20 91.336 -9.016 5.557 1.00 0.00 C ATOM 298 CD GLN A 20 90.618 -9.284 4.234 1.00 0.00 C ATOM 299 OE1 GLN A 20 91.104 -8.921 3.181 1.00 0.00 O ATOM 300 NE2 GLN A 20 89.473 -9.910 4.243 1.00 0.00 N ATOM 0 H GLN A 20 93.232 -10.156 7.170 1.00 0.00 H new ATOM 0 HA GLN A 20 94.223 -7.379 6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 20 92.546 -7.412 4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 20 93.288 -8.994 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 20 91.479 -9.950 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 20 90.728 -8.369 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 20 89.065 -10.215 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 20 88.986 -10.095 3.366 1.00 0.00 H new ATOM 309 N ARG A 21 91.915 -8.468 8.460 1.00 0.00 N ATOM 310 CA ARG A 21 90.979 -8.022 9.530 1.00 0.00 C ATOM 311 C ARG A 21 91.765 -7.361 10.664 1.00 0.00 C ATOM 312 O ARG A 21 91.241 -6.558 11.409 1.00 0.00 O ATOM 313 CB ARG A 21 90.303 -9.304 10.015 1.00 0.00 C ATOM 314 CG ARG A 21 88.991 -8.955 10.721 1.00 0.00 C ATOM 315 CD ARG A 21 87.880 -9.879 10.219 1.00 0.00 C ATOM 316 NE ARG A 21 88.321 -11.251 10.593 1.00 0.00 N ATOM 317 CZ ARG A 21 87.989 -11.750 11.752 1.00 0.00 C ATOM 318 NH1 ARG A 21 86.792 -11.548 12.232 1.00 0.00 N ATOM 319 NH2 ARG A 21 88.854 -12.452 12.431 1.00 0.00 N ATOM 0 H ARG A 21 92.065 -9.476 8.408 1.00 0.00 H new ATOM 0 HA ARG A 21 90.253 -7.289 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 21 90.109 -9.967 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 21 90.963 -9.840 10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.107 -9.061 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 21 88.728 -7.915 10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 21 86.923 -9.633 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 21 87.747 -9.787 9.141 1.00 0.00 H new ATOM 0 HE ARG A 21 88.883 -11.801 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 21 86.115 -11.000 11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 21 86.533 -11.938 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 21 89.789 -12.610 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 21 88.595 -12.842 13.337 1.00 0.00 H new ATOM 333 N GLU A 22 93.020 -7.691 10.795 1.00 0.00 N ATOM 334 CA GLU A 22 93.841 -7.080 11.877 1.00 0.00 C ATOM 335 C GLU A 22 94.202 -5.639 11.508 1.00 0.00 C ATOM 336 O GLU A 22 94.178 -4.752 12.337 1.00 0.00 O ATOM 337 CB GLU A 22 95.099 -7.946 11.959 1.00 0.00 C ATOM 338 CG GLU A 22 94.775 -9.245 12.699 1.00 0.00 C ATOM 339 CD GLU A 22 96.022 -9.739 13.435 1.00 0.00 C ATOM 340 OE1 GLU A 22 97.047 -9.087 13.326 1.00 0.00 O ATOM 341 OE2 GLU A 22 95.930 -10.760 14.095 1.00 0.00 O ATOM 0 H GLU A 22 93.512 -8.357 10.200 1.00 0.00 H new ATOM 0 HA GLU A 22 93.312 -7.043 12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.467 -8.167 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.892 -7.407 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 22 93.963 -9.079 13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 94.433 -10.002 11.993 1.00 0.00 H new ATOM 348 N TYR A 23 94.530 -5.399 10.266 1.00 0.00 N ATOM 349 CA TYR A 23 94.885 -4.014 9.846 1.00 0.00 C ATOM 350 C TYR A 23 93.615 -3.177 9.664 1.00 0.00 C ATOM 351 O TYR A 23 93.596 -1.993 9.937 1.00 0.00 O ATOM 352 CB TYR A 23 95.619 -4.176 8.514 1.00 0.00 C ATOM 353 CG TYR A 23 96.638 -3.072 8.366 1.00 0.00 C ATOM 354 CD1 TYR A 23 96.227 -1.783 8.006 1.00 0.00 C ATOM 355 CD2 TYR A 23 97.994 -3.337 8.588 1.00 0.00 C ATOM 356 CE1 TYR A 23 97.172 -0.759 7.870 1.00 0.00 C ATOM 357 CE2 TYR A 23 98.940 -2.314 8.452 1.00 0.00 C ATOM 358 CZ TYR A 23 98.528 -1.025 8.092 1.00 0.00 C ATOM 359 OH TYR A 23 99.459 -0.015 7.957 1.00 0.00 O ATOM 0 H TYR A 23 94.567 -6.101 9.527 1.00 0.00 H new ATOM 0 HA TYR A 23 95.500 -3.502 10.587 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.111 -5.148 8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 23 94.908 -4.143 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 23 95.181 -1.579 7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.311 -4.332 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 23 96.855 0.236 7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 23 99.986 -2.519 8.625 1.00 0.00 H new ATOM 0 HH TYR A 23 100.354 -0.367 8.147 1.00 0.00 H new ATOM 369 N TYR A 24 92.552 -3.786 9.210 1.00 0.00 N ATOM 370 CA TYR A 24 91.284 -3.027 9.018 1.00 0.00 C ATOM 371 C TYR A 24 90.719 -2.609 10.377 1.00 0.00 C ATOM 372 O TYR A 24 90.266 -1.496 10.560 1.00 0.00 O ATOM 373 CB TYR A 24 90.330 -4.006 8.324 1.00 0.00 C ATOM 374 CG TYR A 24 90.630 -4.061 6.844 1.00 0.00 C ATOM 375 CD1 TYR A 24 90.912 -2.884 6.138 1.00 0.00 C ATOM 376 CD2 TYR A 24 90.626 -5.293 6.175 1.00 0.00 C ATOM 377 CE1 TYR A 24 91.190 -2.939 4.766 1.00 0.00 C ATOM 378 CE2 TYR A 24 90.905 -5.346 4.804 1.00 0.00 C ATOM 379 CZ TYR A 24 91.186 -4.170 4.100 1.00 0.00 C ATOM 380 OH TYR A 24 91.461 -4.224 2.749 1.00 0.00 O ATOM 0 H TYR A 24 92.508 -4.775 8.964 1.00 0.00 H new ATOM 0 HA TYR A 24 91.430 -2.119 8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.434 -4.999 8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.298 -3.694 8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 24 90.915 -1.934 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 24 90.408 -6.201 6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 24 91.407 -2.032 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 24 90.903 -6.296 4.289 1.00 0.00 H new ATOM 0 HH TYR A 24 91.418 -5.154 2.443 1.00 0.00 H new ATOM 390 N VAL A 25 90.746 -3.497 11.332 1.00 0.00 N ATOM 391 CA VAL A 25 90.214 -3.160 12.683 1.00 0.00 C ATOM 392 C VAL A 25 91.140 -2.163 13.384 1.00 0.00 C ATOM 393 O VAL A 25 90.699 -1.315 14.130 1.00 0.00 O ATOM 394 CB VAL A 25 90.187 -4.489 13.437 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.656 -4.262 14.853 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.277 -5.474 12.702 1.00 0.00 C ATOM 0 H VAL A 25 91.114 -4.443 11.235 1.00 0.00 H new ATOM 0 HA VAL A 25 89.229 -2.696 12.636 1.00 0.00 H new ATOM 0 HB VAL A 25 91.196 -4.897 13.489 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.637 -5.210 15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 25 90.305 -3.561 15.377 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.647 -3.853 14.802 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.258 -6.422 13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.268 -5.066 12.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.656 -5.637 11.693 1.00 0.00 H new ATOM 406 N ASN A 26 92.421 -2.263 13.151 1.00 0.00 N ATOM 407 CA ASN A 26 93.374 -1.323 13.810 1.00 0.00 C ATOM 408 C ASN A 26 92.956 0.129 13.554 1.00 0.00 C ATOM 409 O ASN A 26 93.259 1.016 14.328 1.00 0.00 O ATOM 410 CB ASN A 26 94.726 -1.611 13.156 1.00 0.00 C ATOM 411 CG ASN A 26 95.837 -1.482 14.201 1.00 0.00 C ATOM 412 OD1 ASN A 26 95.603 -1.020 15.300 1.00 0.00 O ATOM 413 ND2 ASN A 26 97.044 -1.876 13.902 1.00 0.00 N ATOM 0 H ASN A 26 92.849 -2.954 12.534 1.00 0.00 H new ATOM 0 HA ASN A 26 93.403 -1.458 14.891 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.729 -2.614 12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.901 -0.915 12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.792 -1.796 14.591 1.00 0.00 H new ATOM 0 HD22 ASN A 26 97.240 -2.264 12.979 1.00 0.00 H new ATOM 420 N GLN A 27 92.265 0.379 12.477 1.00 0.00 N ATOM 421 CA GLN A 27 91.832 1.770 12.173 1.00 0.00 C ATOM 422 C GLN A 27 90.480 2.050 12.843 1.00 0.00 C ATOM 423 O GLN A 27 90.341 2.974 13.620 1.00 0.00 O ATOM 424 CB GLN A 27 91.735 1.807 10.639 1.00 0.00 C ATOM 425 CG GLN A 27 90.588 2.717 10.192 1.00 0.00 C ATOM 426 CD GLN A 27 90.904 4.164 10.572 1.00 0.00 C ATOM 427 OE1 GLN A 27 90.054 4.837 11.299 1.00 0.00 O flip ATOM 428 NE2 GLN A 27 91.936 4.689 10.202 1.00 0.00 N flip ATOM 0 H GLN A 27 91.981 -0.322 11.793 1.00 0.00 H new ATOM 0 HA GLN A 27 92.516 2.532 12.547 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.675 2.165 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.577 0.799 10.255 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.445 2.636 9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.656 2.402 10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 27 92.600 4.163 9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 27 92.138 5.655 10.460 1.00 0.00 H new ATOM 437 N PHE A 28 89.487 1.256 12.551 1.00 0.00 N ATOM 438 CA PHE A 28 88.148 1.473 13.174 1.00 0.00 C ATOM 439 C PHE A 28 88.277 1.474 14.702 1.00 0.00 C ATOM 440 O PHE A 28 87.401 1.934 15.407 1.00 0.00 O ATOM 441 CB PHE A 28 87.302 0.290 12.686 1.00 0.00 C ATOM 442 CG PHE A 28 85.998 0.217 13.449 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.988 -0.119 14.811 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.792 0.474 12.787 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.774 -0.197 15.504 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.579 0.396 13.481 1.00 0.00 C ATOM 447 CZ PHE A 28 83.570 0.060 14.838 1.00 0.00 C ATOM 0 H PHE A 28 89.543 0.466 11.908 1.00 0.00 H new ATOM 0 HA PHE A 28 87.700 2.429 12.902 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.100 0.395 11.620 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.857 -0.639 12.815 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.917 -0.318 15.325 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.797 0.733 11.739 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.767 -0.455 16.553 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.650 0.595 12.968 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.634 -0.001 15.373 1.00 0.00 H new ATOM 457 N ARG A 29 89.365 0.968 15.217 1.00 0.00 N ATOM 458 CA ARG A 29 89.552 0.943 16.698 1.00 0.00 C ATOM 459 C ARG A 29 89.804 2.358 17.222 1.00 0.00 C ATOM 460 O ARG A 29 89.175 2.803 18.161 1.00 0.00 O ATOM 461 CB ARG A 29 90.778 0.059 16.930 1.00 0.00 C ATOM 462 CG ARG A 29 90.551 -0.817 18.164 1.00 0.00 C ATOM 463 CD ARG A 29 91.762 -1.730 18.376 1.00 0.00 C ATOM 464 NE ARG A 29 92.056 -1.643 19.834 1.00 0.00 N ATOM 465 CZ ARG A 29 92.991 -2.387 20.357 1.00 0.00 C ATOM 466 NH1 ARG A 29 93.862 -2.978 19.585 1.00 0.00 N ATOM 467 NH2 ARG A 29 93.058 -2.540 21.651 1.00 0.00 N ATOM 0 H ARG A 29 90.133 0.570 14.677 1.00 0.00 H new ATOM 0 HA ARG A 29 88.673 0.563 17.218 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.959 -0.566 16.056 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.665 0.678 17.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.396 -0.191 19.043 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.649 -1.416 18.036 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.541 -2.755 18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.614 -1.401 17.781 1.00 0.00 H new ATOM 0 HE ARG A 29 91.526 -1.001 20.423 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.811 -2.858 18.573 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.593 -3.560 19.993 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.379 -2.077 22.255 1.00 0.00 H new ATOM 0 HH22 ARG A 29 93.790 -3.122 22.059 1.00 0.00 H new ATOM 481 N SER A 30 90.719 3.070 16.622 1.00 0.00 N ATOM 482 CA SER A 30 91.006 4.458 17.087 1.00 0.00 C ATOM 483 C SER A 30 89.694 5.190 17.375 1.00 0.00 C ATOM 484 O SER A 30 89.605 5.998 18.278 1.00 0.00 O ATOM 485 CB SER A 30 91.750 5.119 15.927 1.00 0.00 C ATOM 486 OG SER A 30 92.158 6.426 16.313 1.00 0.00 O ATOM 0 H SER A 30 91.279 2.752 15.831 1.00 0.00 H new ATOM 0 HA SER A 30 91.592 4.478 18.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 92.619 4.522 15.650 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.106 5.171 15.049 1.00 0.00 H new ATOM 0 HG SER A 30 92.637 6.852 15.571 1.00 0.00 H new ATOM 492 N LEU A 31 88.671 4.904 16.616 1.00 0.00 N ATOM 493 CA LEU A 31 87.361 5.570 16.842 1.00 0.00 C ATOM 494 C LEU A 31 86.527 4.759 17.838 1.00 0.00 C ATOM 495 O LEU A 31 85.752 5.299 18.601 1.00 0.00 O ATOM 496 CB LEU A 31 86.686 5.595 15.470 1.00 0.00 C ATOM 497 CG LEU A 31 87.633 6.221 14.445 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.531 5.459 13.122 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.245 7.684 14.221 1.00 0.00 C ATOM 0 H LEU A 31 88.689 4.235 15.847 1.00 0.00 H new ATOM 0 HA LEU A 31 87.470 6.572 17.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.421 4.583 15.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.759 6.166 15.520 1.00 0.00 H new ATOM 0 HG LEU A 31 88.656 6.168 14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.206 5.906 12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.806 4.416 13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.508 5.512 12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 31 87.919 8.131 13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.221 7.736 13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.318 8.228 15.163 1.00 0.00 H new ATOM 511 N GLN A 32 86.686 3.462 17.836 1.00 0.00 N ATOM 512 CA GLN A 32 85.910 2.611 18.780 1.00 0.00 C ATOM 513 C GLN A 32 86.859 1.742 19.611 1.00 0.00 C ATOM 514 O GLN A 32 87.310 0.708 19.160 1.00 0.00 O ATOM 515 CB GLN A 32 85.019 1.740 17.896 1.00 0.00 C ATOM 516 CG GLN A 32 83.591 2.292 17.909 1.00 0.00 C ATOM 517 CD GLN A 32 83.096 2.398 19.353 1.00 0.00 C ATOM 518 OE1 GLN A 32 83.794 2.028 20.275 1.00 0.00 O ATOM 519 NE2 GLN A 32 81.912 2.895 19.588 1.00 0.00 N ATOM 0 H GLN A 32 87.322 2.956 17.219 1.00 0.00 H new ATOM 0 HA GLN A 32 85.325 3.205 19.483 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.405 1.724 16.877 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.026 0.711 18.256 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.564 3.272 17.432 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.933 1.640 17.335 1.00 0.00 H new ATOM 0 HE21 GLN A 32 81.326 3.206 18.813 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.573 2.973 20.547 1.00 0.00 H new ATOM 528 N PRO A 33 87.131 2.199 20.802 1.00 0.00 N ATOM 529 CA PRO A 33 88.038 1.458 21.714 1.00 0.00 C ATOM 530 C PRO A 33 87.563 0.014 21.890 1.00 0.00 C ATOM 531 O PRO A 33 88.344 -0.880 22.150 1.00 0.00 O ATOM 532 CB PRO A 33 87.942 2.224 23.033 1.00 0.00 C ATOM 533 CG PRO A 33 87.418 3.580 22.673 1.00 0.00 C ATOM 534 CD PRO A 33 86.623 3.435 21.403 1.00 0.00 C ATOM 0 HA PRO A 33 89.059 1.399 21.337 1.00 0.00 H new ATOM 0 HB2 PRO A 33 87.275 1.719 23.732 1.00 0.00 H new ATOM 0 HB3 PRO A 33 88.916 2.296 23.517 1.00 0.00 H new ATOM 0 HG2 PRO A 33 86.793 3.974 23.474 1.00 0.00 H new ATOM 0 HG3 PRO A 33 88.239 4.284 22.533 1.00 0.00 H new ATOM 0 HD2 PRO A 33 85.554 3.369 21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 33 86.769 4.289 20.742 1.00 0.00 H new ATOM 542 N ASP A 34 86.287 -0.221 21.755 1.00 0.00 N ATOM 543 CA ASP A 34 85.762 -1.607 21.918 1.00 0.00 C ATOM 544 C ASP A 34 85.975 -2.411 20.632 1.00 0.00 C ATOM 545 O ASP A 34 85.523 -2.020 19.575 1.00 0.00 O ATOM 546 CB ASP A 34 84.269 -1.433 22.200 1.00 0.00 C ATOM 547 CG ASP A 34 84.051 -1.253 23.703 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.626 -2.016 24.461 1.00 0.00 O ATOM 549 OD2 ASP A 34 83.312 -0.355 24.070 1.00 0.00 O ATOM 0 H ASP A 34 85.585 0.486 21.539 1.00 0.00 H new ATOM 0 HA ASP A 34 86.269 -2.149 22.717 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.885 -0.568 21.660 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.717 -2.303 21.843 1.00 0.00 H new ATOM 554 N PRO A 35 86.660 -3.517 20.767 1.00 0.00 N ATOM 555 CA PRO A 35 86.934 -4.387 19.597 1.00 0.00 C ATOM 556 C PRO A 35 85.625 -4.942 19.029 1.00 0.00 C ATOM 557 O PRO A 35 85.523 -5.238 17.855 1.00 0.00 O ATOM 558 CB PRO A 35 87.801 -5.514 20.161 1.00 0.00 C ATOM 559 CG PRO A 35 87.626 -5.460 21.647 1.00 0.00 C ATOM 560 CD PRO A 35 87.234 -4.051 22.005 1.00 0.00 C ATOM 0 HA PRO A 35 87.424 -3.855 18.782 1.00 0.00 H new ATOM 0 HB2 PRO A 35 87.490 -6.481 19.766 1.00 0.00 H new ATOM 0 HB3 PRO A 35 88.847 -5.378 19.885 1.00 0.00 H new ATOM 0 HG2 PRO A 35 86.859 -6.165 21.969 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.550 -5.741 22.152 1.00 0.00 H new ATOM 0 HD2 PRO A 35 86.511 -4.033 22.820 1.00 0.00 H new ATOM 0 HD3 PRO A 35 88.095 -3.467 22.330 1.00 0.00 H new ATOM 568 N SER A 36 84.624 -5.084 19.854 1.00 0.00 N ATOM 569 CA SER A 36 83.322 -5.619 19.362 1.00 0.00 C ATOM 570 C SER A 36 82.226 -4.559 19.505 1.00 0.00 C ATOM 571 O SER A 36 81.317 -4.697 20.299 1.00 0.00 O ATOM 572 CB SER A 36 83.024 -6.820 20.258 1.00 0.00 C ATOM 573 OG SER A 36 83.334 -8.017 19.558 1.00 0.00 O ATOM 0 H SER A 36 84.651 -4.853 20.847 1.00 0.00 H new ATOM 0 HA SER A 36 83.361 -5.895 18.308 1.00 0.00 H new ATOM 0 HB2 SER A 36 83.611 -6.759 21.175 1.00 0.00 H new ATOM 0 HB3 SER A 36 81.974 -6.818 20.551 1.00 0.00 H new ATOM 0 HG SER A 36 83.145 -8.789 20.131 1.00 0.00 H new ATOM 579 N SER A 37 82.304 -3.502 18.743 1.00 0.00 N ATOM 580 CA SER A 37 81.265 -2.437 18.840 1.00 0.00 C ATOM 581 C SER A 37 81.059 -1.768 17.479 1.00 0.00 C ATOM 582 O SER A 37 81.820 -1.969 16.554 1.00 0.00 O ATOM 583 CB SER A 37 81.818 -1.435 19.853 1.00 0.00 C ATOM 584 OG SER A 37 83.191 -1.196 19.574 1.00 0.00 O ATOM 0 H SER A 37 83.041 -3.330 18.059 1.00 0.00 H new ATOM 0 HA SER A 37 80.297 -2.834 19.145 1.00 0.00 H new ATOM 0 HB2 SER A 37 81.257 -0.502 19.803 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.703 -1.822 20.865 1.00 0.00 H new ATOM 0 HG SER A 37 83.702 -2.019 19.719 1.00 0.00 H new ATOM 590 N PHE A 38 80.033 -0.972 17.350 1.00 0.00 N ATOM 591 CA PHE A 38 79.770 -0.288 16.051 1.00 0.00 C ATOM 592 C PHE A 38 80.113 1.203 16.165 1.00 0.00 C ATOM 593 O PHE A 38 79.887 1.823 17.185 1.00 0.00 O ATOM 594 CB PHE A 38 78.269 -0.466 15.821 1.00 0.00 C ATOM 595 CG PHE A 38 77.518 0.015 17.040 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.267 1.382 17.213 1.00 0.00 C ATOM 597 CD2 PHE A 38 77.077 -0.904 18.000 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.574 1.830 18.344 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.384 -0.456 19.132 1.00 0.00 C ATOM 600 CZ PHE A 38 76.133 0.911 19.303 1.00 0.00 C ATOM 0 H PHE A 38 79.363 -0.765 18.091 1.00 0.00 H new ATOM 0 HA PHE A 38 80.367 -0.695 15.235 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.955 0.095 14.941 1.00 0.00 H new ATOM 0 HB3 PHE A 38 78.040 -1.514 15.629 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.608 2.091 16.473 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.271 -1.958 17.868 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.380 2.884 18.476 1.00 0.00 H new ATOM 0 HE2 PHE A 38 76.043 -1.165 19.873 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.599 1.256 20.176 1.00 0.00 H new ATOM 610 N ILE A 39 80.646 1.785 15.126 1.00 0.00 N ATOM 611 CA ILE A 39 80.988 3.236 15.177 1.00 0.00 C ATOM 612 C ILE A 39 79.791 4.058 14.700 1.00 0.00 C ATOM 613 O ILE A 39 78.903 3.552 14.048 1.00 0.00 O ATOM 614 CB ILE A 39 82.183 3.403 14.229 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.477 3.154 15.005 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.214 4.821 13.648 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.641 3.014 14.024 1.00 0.00 C ATOM 0 H ILE A 39 80.860 1.319 14.244 1.00 0.00 H new ATOM 0 HA ILE A 39 81.232 3.576 16.183 1.00 0.00 H new ATOM 0 HB ILE A 39 82.087 2.688 13.412 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.665 3.978 15.694 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.384 2.250 15.607 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.068 4.921 12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.294 5.007 13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.302 5.544 14.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.563 2.837 14.577 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.453 2.176 13.353 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.738 3.930 13.441 1.00 0.00 H new ATOM 629 N SER A 40 79.756 5.319 15.016 1.00 0.00 N ATOM 630 CA SER A 40 78.611 6.153 14.566 1.00 0.00 C ATOM 631 C SER A 40 78.621 6.264 13.038 1.00 0.00 C ATOM 632 O SER A 40 79.114 5.395 12.347 1.00 0.00 O ATOM 633 CB SER A 40 78.837 7.521 15.206 1.00 0.00 C ATOM 634 OG SER A 40 79.479 7.350 16.462 1.00 0.00 O ATOM 0 H SER A 40 80.466 5.807 15.563 1.00 0.00 H new ATOM 0 HA SER A 40 77.649 5.729 14.853 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.449 8.144 14.554 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.885 8.036 15.338 1.00 0.00 H new ATOM 0 HG SER A 40 79.215 8.076 17.066 1.00 0.00 H new ATOM 640 N GLY A 41 78.085 7.326 12.506 1.00 0.00 N ATOM 641 CA GLY A 41 78.069 7.490 11.026 1.00 0.00 C ATOM 642 C GLY A 41 79.042 8.602 10.630 1.00 0.00 C ATOM 643 O GLY A 41 80.144 8.346 10.188 1.00 0.00 O ATOM 0 H GLY A 41 77.657 8.088 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.351 6.555 10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.062 7.734 10.686 1.00 0.00 H new ATOM 647 N SER A 42 78.645 9.834 10.789 1.00 0.00 N ATOM 648 CA SER A 42 79.552 10.959 10.425 1.00 0.00 C ATOM 649 C SER A 42 80.911 10.772 11.105 1.00 0.00 C ATOM 650 O SER A 42 81.917 11.284 10.656 1.00 0.00 O ATOM 651 CB SER A 42 78.857 12.215 10.947 1.00 0.00 C ATOM 652 OG SER A 42 79.455 12.608 12.175 1.00 0.00 O ATOM 0 H SER A 42 77.734 10.110 11.154 1.00 0.00 H new ATOM 0 HA SER A 42 79.735 11.016 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 42 78.938 13.020 10.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 77.794 12.022 11.092 1.00 0.00 H new ATOM 0 HG SER A 42 79.012 13.415 12.511 1.00 0.00 H new ATOM 658 N VAL A 43 80.947 10.039 12.184 1.00 0.00 N ATOM 659 CA VAL A 43 82.239 9.817 12.889 1.00 0.00 C ATOM 660 C VAL A 43 83.235 9.128 11.951 1.00 0.00 C ATOM 661 O VAL A 43 84.359 9.562 11.798 1.00 0.00 O ATOM 662 CB VAL A 43 81.897 8.909 14.069 1.00 0.00 C ATOM 663 CG1 VAL A 43 83.182 8.306 14.638 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.195 9.729 15.155 1.00 0.00 C ATOM 0 H VAL A 43 80.138 9.585 12.607 1.00 0.00 H new ATOM 0 HA VAL A 43 82.699 10.750 13.216 1.00 0.00 H new ATOM 0 HB VAL A 43 81.238 8.109 13.733 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.938 7.658 15.480 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.684 7.724 13.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.841 9.106 14.975 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.950 9.083 15.998 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.855 10.529 15.491 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.279 10.160 14.751 1.00 0.00 H new ATOM 674 N ALA A 44 82.829 8.058 11.320 1.00 0.00 N ATOM 675 CA ALA A 44 83.754 7.347 10.391 1.00 0.00 C ATOM 676 C ALA A 44 83.881 8.124 9.080 1.00 0.00 C ATOM 677 O ALA A 44 84.968 8.356 8.590 1.00 0.00 O ATOM 678 CB ALA A 44 83.107 5.982 10.148 1.00 0.00 C ATOM 0 H ALA A 44 81.900 7.647 11.408 1.00 0.00 H new ATOM 0 HA ALA A 44 84.759 7.250 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.731 5.399 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 44 83.007 5.453 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 44 82.121 6.120 9.704 1.00 0.00 H new ATOM 684 N LYS A 45 82.781 8.534 8.508 1.00 0.00 N ATOM 685 CA LYS A 45 82.851 9.302 7.232 1.00 0.00 C ATOM 686 C LYS A 45 83.729 10.540 7.424 1.00 0.00 C ATOM 687 O LYS A 45 84.193 11.141 6.476 1.00 0.00 O ATOM 688 CB LYS A 45 81.408 9.706 6.930 1.00 0.00 C ATOM 689 CG LYS A 45 81.096 9.411 5.462 1.00 0.00 C ATOM 690 CD LYS A 45 80.184 10.506 4.904 1.00 0.00 C ATOM 691 CE LYS A 45 78.769 10.326 5.460 1.00 0.00 C ATOM 692 NZ LYS A 45 78.471 11.599 6.173 1.00 0.00 N ATOM 0 H LYS A 45 81.840 8.371 8.868 1.00 0.00 H new ATOM 0 HA LYS A 45 83.284 8.722 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.722 9.158 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.264 10.766 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 45 82.020 9.363 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.612 8.438 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.570 11.489 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.167 10.460 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.051 10.144 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.716 9.473 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 77.516 11.552 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 79.167 11.742 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.522 12.392 5.503 1.00 0.00 H new ATOM 706 N ASN A 46 83.959 10.920 8.650 1.00 0.00 N ATOM 707 CA ASN A 46 84.806 12.114 8.922 1.00 0.00 C ATOM 708 C ASN A 46 86.214 11.905 8.363 1.00 0.00 C ATOM 709 O ASN A 46 86.685 12.657 7.535 1.00 0.00 O ATOM 710 CB ASN A 46 84.854 12.216 10.446 1.00 0.00 C ATOM 711 CG ASN A 46 85.848 13.305 10.855 1.00 0.00 C ATOM 712 OD1 ASN A 46 86.670 13.098 11.726 1.00 0.00 O ATOM 713 ND2 ASN A 46 85.806 14.467 10.262 1.00 0.00 N ATOM 0 H ASN A 46 83.594 10.452 9.480 1.00 0.00 H new ATOM 0 HA ASN A 46 84.409 13.017 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.863 12.448 10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.150 11.259 10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 46 86.463 15.200 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 46 85.117 14.642 9.531 1.00 0.00 H new ATOM 720 N PHE A 47 86.891 10.888 8.820 1.00 0.00 N ATOM 721 CA PHE A 47 88.271 10.630 8.327 1.00 0.00 C ATOM 722 C PHE A 47 88.229 9.887 6.985 1.00 0.00 C ATOM 723 O PHE A 47 89.174 9.911 6.224 1.00 0.00 O ATOM 724 CB PHE A 47 88.925 9.782 9.430 1.00 0.00 C ATOM 725 CG PHE A 47 88.727 8.308 9.162 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.486 7.669 8.175 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.787 7.584 9.902 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.305 6.303 7.929 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.606 6.220 9.658 1.00 0.00 C ATOM 730 CZ PHE A 47 88.365 5.578 8.670 1.00 0.00 C ATOM 0 H PHE A 47 86.547 10.225 9.514 1.00 0.00 H new ATOM 0 HA PHE A 47 88.833 11.545 8.142 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.990 10.007 9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.495 10.041 10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.211 8.230 7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 47 87.201 8.079 10.662 1.00 0.00 H new ATOM 0 HE1 PHE A 47 89.890 5.809 7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.881 5.661 10.231 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.224 4.524 8.481 1.00 0.00 H new ATOM 740 N PHE A 48 87.139 9.234 6.692 1.00 0.00 N ATOM 741 CA PHE A 48 87.032 8.493 5.400 1.00 0.00 C ATOM 742 C PHE A 48 87.496 9.379 4.239 1.00 0.00 C ATOM 743 O PHE A 48 87.874 8.896 3.190 1.00 0.00 O ATOM 744 CB PHE A 48 85.546 8.164 5.260 1.00 0.00 C ATOM 745 CG PHE A 48 85.263 6.804 5.855 1.00 0.00 C ATOM 746 CD1 PHE A 48 85.941 6.383 7.006 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.320 5.961 5.253 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.676 5.120 7.553 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.056 4.700 5.801 1.00 0.00 C ATOM 750 CZ PHE A 48 84.734 4.279 6.952 1.00 0.00 C ATOM 0 H PHE A 48 86.315 9.180 7.291 1.00 0.00 H new ATOM 0 HA PHE A 48 87.654 7.598 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.947 8.923 5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.259 8.178 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.668 7.032 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.796 6.284 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.200 4.796 8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.329 4.051 5.336 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.530 3.306 7.375 1.00 0.00 H new ATOM 760 N THR A 49 87.461 10.673 4.418 1.00 0.00 N ATOM 761 CA THR A 49 87.891 11.598 3.327 1.00 0.00 C ATOM 762 C THR A 49 89.130 11.058 2.606 1.00 0.00 C ATOM 763 O THR A 49 89.356 11.347 1.449 1.00 0.00 O ATOM 764 CB THR A 49 88.221 12.912 4.036 1.00 0.00 C ATOM 765 OG1 THR A 49 88.592 13.888 3.072 1.00 0.00 O ATOM 766 CG2 THR A 49 89.377 12.689 5.012 1.00 0.00 C ATOM 0 H THR A 49 87.152 11.131 5.275 1.00 0.00 H new ATOM 0 HA THR A 49 87.118 11.716 2.568 1.00 0.00 H new ATOM 0 HB THR A 49 87.346 13.260 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 49 88.802 14.731 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 49 89.612 13.626 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 49 89.090 11.940 5.750 1.00 0.00 H new ATOM 0 HG23 THR A 49 90.253 12.342 4.465 1.00 0.00 H new ATOM 907 N LEU A 58 82.164 10.941 -2.669 1.00 0.00 N ATOM 908 CA LEU A 58 82.171 9.968 -1.538 1.00 0.00 C ATOM 909 C LEU A 58 80.754 9.457 -1.270 1.00 0.00 C ATOM 910 O LEU A 58 80.503 8.781 -0.292 1.00 0.00 O ATOM 911 CB LEU A 58 82.692 10.759 -0.338 1.00 0.00 C ATOM 912 CG LEU A 58 84.207 10.586 -0.230 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.762 11.572 0.802 1.00 0.00 C ATOM 914 CD2 LEU A 58 84.526 9.156 0.212 1.00 0.00 C ATOM 0 HA LEU A 58 82.788 9.094 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.443 11.814 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.210 10.412 0.576 1.00 0.00 H new ATOM 0 HG LEU A 58 84.664 10.779 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 85.842 11.449 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.535 12.591 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.305 11.379 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 58 85.606 9.031 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.068 8.964 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.131 8.452 -0.521 1.00 0.00 H new ATOM 926 N SER A 59 79.825 9.775 -2.130 1.00 0.00 N ATOM 927 CA SER A 59 78.424 9.307 -1.920 1.00 0.00 C ATOM 928 C SER A 59 78.313 7.810 -2.224 1.00 0.00 C ATOM 929 O SER A 59 77.496 7.112 -1.655 1.00 0.00 O ATOM 930 CB SER A 59 77.583 10.118 -2.904 1.00 0.00 C ATOM 931 OG SER A 59 76.880 11.132 -2.197 1.00 0.00 O ATOM 0 H SER A 59 79.974 10.338 -2.968 1.00 0.00 H new ATOM 0 HA SER A 59 78.093 9.446 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.223 10.566 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.880 9.466 -3.423 1.00 0.00 H new ATOM 0 HG SER A 59 76.341 11.655 -2.826 1.00 0.00 H new ATOM 937 N TYR A 60 79.125 7.307 -3.115 1.00 0.00 N ATOM 938 CA TYR A 60 79.055 5.855 -3.443 1.00 0.00 C ATOM 939 C TYR A 60 79.828 5.040 -2.401 1.00 0.00 C ATOM 940 O TYR A 60 79.508 3.898 -2.131 1.00 0.00 O ATOM 941 CB TYR A 60 79.680 5.725 -4.837 1.00 0.00 C ATOM 942 CG TYR A 60 81.189 5.724 -4.745 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.879 4.517 -4.575 1.00 0.00 C ATOM 944 CD2 TYR A 60 81.898 6.926 -4.845 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.276 4.513 -4.502 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.298 6.922 -4.774 1.00 0.00 C ATOM 947 CZ TYR A 60 83.986 5.716 -4.603 1.00 0.00 C ATOM 948 OH TYR A 60 85.364 5.713 -4.536 1.00 0.00 O ATOM 0 H TYR A 60 79.830 7.836 -3.627 1.00 0.00 H new ATOM 0 HA TYR A 60 78.034 5.474 -3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.338 4.804 -5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.349 6.550 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.332 3.589 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 60 81.367 7.857 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.807 3.582 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 60 83.845 7.850 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 60 85.698 6.630 -4.624 1.00 0.00 H new ATOM 958 N ILE A 61 80.830 5.621 -1.799 1.00 0.00 N ATOM 959 CA ILE A 61 81.602 4.877 -0.761 1.00 0.00 C ATOM 960 C ILE A 61 80.723 4.658 0.470 1.00 0.00 C ATOM 961 O ILE A 61 80.642 3.571 1.007 1.00 0.00 O ATOM 962 CB ILE A 61 82.785 5.781 -0.414 1.00 0.00 C ATOM 963 CG1 ILE A 61 83.703 5.907 -1.630 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.568 5.172 0.753 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.365 4.558 -1.907 1.00 0.00 C ATOM 0 H ILE A 61 81.147 6.574 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 61 81.931 3.898 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 61 82.417 6.767 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.131 6.229 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.463 6.667 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.412 5.816 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.915 5.080 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.936 4.186 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.020 4.645 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.950 4.255 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.597 3.810 -2.106 1.00 0.00 H new ATOM 977 N TRP A 62 80.060 5.689 0.916 1.00 0.00 N ATOM 978 CA TRP A 62 79.178 5.556 2.107 1.00 0.00 C ATOM 979 C TRP A 62 77.926 4.757 1.742 1.00 0.00 C ATOM 980 O TRP A 62 77.456 3.937 2.507 1.00 0.00 O ATOM 981 CB TRP A 62 78.815 6.993 2.480 1.00 0.00 C ATOM 982 CG TRP A 62 77.761 6.988 3.539 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.433 7.106 3.313 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.923 6.866 4.981 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.768 7.063 4.526 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.644 6.917 5.583 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.045 6.719 5.816 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.485 6.825 6.966 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.887 6.626 7.207 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.611 6.679 7.781 1.00 0.00 C ATOM 0 H TRP A 62 80.092 6.622 0.504 1.00 0.00 H new ATOM 0 HA TRP A 62 79.659 5.030 2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.700 7.521 2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.457 7.528 1.600 1.00 0.00 H new ATOM 0 HD1 TRP A 62 75.968 7.216 2.345 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.755 7.131 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.034 6.677 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.499 6.866 7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.755 6.513 7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.497 6.607 8.853 1.00 0.00 H new ATOM 1001 N GLU A 63 77.385 4.984 0.576 1.00 0.00 N ATOM 1002 CA GLU A 63 76.169 4.230 0.161 1.00 0.00 C ATOM 1003 C GLU A 63 76.414 2.728 0.314 1.00 0.00 C ATOM 1004 O GLU A 63 75.516 1.968 0.617 1.00 0.00 O ATOM 1005 CB GLU A 63 75.958 4.594 -1.308 1.00 0.00 C ATOM 1006 CG GLU A 63 74.941 5.731 -1.413 1.00 0.00 C ATOM 1007 CD GLU A 63 74.520 5.907 -2.873 1.00 0.00 C ATOM 1008 OE1 GLU A 63 74.938 5.104 -3.690 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.787 6.842 -3.149 1.00 0.00 O ATOM 0 H GLU A 63 77.732 5.658 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 63 75.297 4.477 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 63 76.904 4.896 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.605 3.724 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.069 5.511 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.374 6.657 -1.034 1.00 0.00 H new ATOM 1016 N LEU A 64 77.628 2.296 0.110 1.00 0.00 N ATOM 1017 CA LEU A 64 77.938 0.844 0.247 1.00 0.00 C ATOM 1018 C LEU A 64 78.393 0.538 1.676 1.00 0.00 C ATOM 1019 O LEU A 64 78.353 -0.591 2.122 1.00 0.00 O ATOM 1020 CB LEU A 64 79.072 0.585 -0.744 1.00 0.00 C ATOM 1021 CG LEU A 64 78.587 0.885 -2.162 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.779 1.272 -3.038 1.00 0.00 C ATOM 1023 CD2 LEU A 64 77.909 -0.358 -2.741 1.00 0.00 C ATOM 0 H LEU A 64 78.420 2.886 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 64 77.072 0.214 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.931 1.211 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.402 -0.451 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 64 77.874 1.709 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.433 1.486 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.262 2.157 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.493 0.449 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 77.562 -0.146 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 78.622 -1.182 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 77.059 -0.633 -2.117 1.00 0.00 H new ATOM 1035 N SER A 65 78.826 1.536 2.397 1.00 0.00 N ATOM 1036 CA SER A 65 79.283 1.302 3.795 1.00 0.00 C ATOM 1037 C SER A 65 78.081 1.043 4.707 1.00 0.00 C ATOM 1038 O SER A 65 78.175 0.332 5.687 1.00 0.00 O ATOM 1039 CB SER A 65 79.994 2.593 4.199 1.00 0.00 C ATOM 1040 OG SER A 65 80.979 2.298 5.180 1.00 0.00 O ATOM 0 H SER A 65 78.883 2.503 2.078 1.00 0.00 H new ATOM 0 HA SER A 65 79.937 0.434 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.459 3.054 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 65 79.274 3.310 4.594 1.00 0.00 H new ATOM 0 HG SER A 65 81.439 3.123 5.441 1.00 0.00 H new ATOM 1046 N ASP A 66 76.954 1.617 4.392 1.00 0.00 N ATOM 1047 CA ASP A 66 75.745 1.407 5.240 1.00 0.00 C ATOM 1048 C ASP A 66 74.847 0.329 4.630 1.00 0.00 C ATOM 1049 O ASP A 66 74.834 0.122 3.433 1.00 0.00 O ATOM 1050 CB ASP A 66 75.030 2.758 5.250 1.00 0.00 C ATOM 1051 CG ASP A 66 74.082 2.826 6.448 1.00 0.00 C ATOM 1052 OD1 ASP A 66 73.960 1.827 7.137 1.00 0.00 O ATOM 1053 OD2 ASP A 66 73.494 3.874 6.655 1.00 0.00 O ATOM 0 H ASP A 66 76.816 2.223 3.583 1.00 0.00 H new ATOM 0 HA ASP A 66 76.001 1.072 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.759 3.567 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.472 2.893 4.323 1.00 0.00 H new ATOM 1058 N ALA A 67 74.093 -0.359 5.444 1.00 0.00 N ATOM 1059 CA ALA A 67 73.197 -1.420 4.911 1.00 0.00 C ATOM 1060 C ALA A 67 71.835 -1.364 5.611 1.00 0.00 C ATOM 1061 O ALA A 67 71.108 -2.336 5.654 1.00 0.00 O ATOM 1062 CB ALA A 67 73.908 -2.738 5.221 1.00 0.00 C ATOM 0 H ALA A 67 74.060 -0.231 6.455 1.00 0.00 H new ATOM 0 HA ALA A 67 73.010 -1.303 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.306 -3.571 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.881 -2.751 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 67 74.045 -2.833 6.298 1.00 0.00 H new ATOM 1068 N ASP A 68 71.485 -0.231 6.157 1.00 0.00 N ATOM 1069 CA ASP A 68 70.170 -0.107 6.850 1.00 0.00 C ATOM 1070 C ASP A 68 69.926 1.361 7.176 1.00 0.00 C ATOM 1071 O ASP A 68 69.224 1.701 8.107 1.00 0.00 O ATOM 1072 CB ASP A 68 70.309 -0.930 8.131 1.00 0.00 C ATOM 1073 CG ASP A 68 71.648 -0.611 8.801 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.161 0.471 8.570 1.00 0.00 O ATOM 1075 OD2 ASP A 68 72.137 -1.456 9.534 1.00 0.00 O ATOM 0 H ASP A 68 72.054 0.616 6.153 1.00 0.00 H new ATOM 0 HA ASP A 68 69.334 -0.459 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.487 -0.705 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.250 -1.994 7.901 1.00 0.00 H new ATOM 1080 N CYS A 69 70.524 2.227 6.407 1.00 0.00 N ATOM 1081 CA CYS A 69 70.378 3.683 6.636 1.00 0.00 C ATOM 1082 C CYS A 69 70.347 3.988 8.133 1.00 0.00 C ATOM 1083 O CYS A 69 69.682 4.901 8.579 1.00 0.00 O ATOM 1084 CB CYS A 69 69.058 4.070 5.972 1.00 0.00 C ATOM 1085 SG CYS A 69 69.074 5.839 5.589 1.00 0.00 S ATOM 0 H CYS A 69 71.118 1.978 5.616 1.00 0.00 H new ATOM 0 HA CYS A 69 71.214 4.247 6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 69 68.913 3.491 5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 69 68.223 3.837 6.633 1.00 0.00 H new ATOM 0 HG CYS A 69 67.952 6.170 5.022 1.00 0.00 H new ATOM 1091 N ASP A 70 71.065 3.227 8.908 1.00 0.00 N ATOM 1092 CA ASP A 70 71.085 3.465 10.378 1.00 0.00 C ATOM 1093 C ASP A 70 72.064 4.593 10.710 1.00 0.00 C ATOM 1094 O ASP A 70 72.078 5.114 11.809 1.00 0.00 O ATOM 1095 CB ASP A 70 71.558 2.144 10.986 1.00 0.00 C ATOM 1096 CG ASP A 70 73.014 1.892 10.590 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.510 2.614 9.740 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.609 0.983 11.144 1.00 0.00 O ATOM 0 H ASP A 70 71.641 2.448 8.587 1.00 0.00 H new ATOM 0 HA ASP A 70 70.111 3.763 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 70 71.466 2.178 12.072 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.928 1.325 10.638 1.00 0.00 H new ATOM 1103 N GLY A 71 72.886 4.971 9.770 1.00 0.00 N ATOM 1104 CA GLY A 71 73.868 6.061 10.031 1.00 0.00 C ATOM 1105 C GLY A 71 75.128 5.470 10.663 1.00 0.00 C ATOM 1106 O GLY A 71 76.235 5.831 10.320 1.00 0.00 O ATOM 0 H GLY A 71 72.920 4.572 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.119 6.569 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.431 6.808 10.694 1.00 0.00 H new ATOM 1110 N ALA A 72 74.969 4.561 11.584 1.00 0.00 N ATOM 1111 CA ALA A 72 76.151 3.946 12.239 1.00 0.00 C ATOM 1112 C ALA A 72 76.564 2.677 11.488 1.00 0.00 C ATOM 1113 O ALA A 72 75.781 2.080 10.776 1.00 0.00 O ATOM 1114 CB ALA A 72 75.677 3.600 13.649 1.00 0.00 C ATOM 0 H ALA A 72 74.066 4.218 11.911 1.00 0.00 H new ATOM 0 HA ALA A 72 77.016 4.609 12.248 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.494 3.139 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 72 75.359 4.509 14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.839 2.905 13.591 1.00 0.00 H new ATOM 1120 N LEU A 73 77.788 2.263 11.645 1.00 0.00 N ATOM 1121 CA LEU A 73 78.260 1.032 10.948 1.00 0.00 C ATOM 1122 C LEU A 73 79.012 0.128 11.930 1.00 0.00 C ATOM 1123 O LEU A 73 79.985 0.529 12.536 1.00 0.00 O ATOM 1124 CB LEU A 73 79.202 1.534 9.852 1.00 0.00 C ATOM 1125 CG LEU A 73 78.400 2.297 8.798 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.370 3.784 9.154 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.062 2.116 7.431 1.00 0.00 C ATOM 0 H LEU A 73 78.486 2.724 12.228 1.00 0.00 H new ATOM 0 HA LEU A 73 77.437 0.445 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.965 2.182 10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.721 0.694 9.391 1.00 0.00 H new ATOM 0 HG LEU A 73 77.381 1.911 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.798 4.327 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.902 3.915 10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.388 4.171 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.493 2.659 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.080 2.503 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.085 1.057 7.175 1.00 0.00 H new ATOM 1139 N THR A 74 78.568 -1.089 12.095 1.00 0.00 N ATOM 1140 CA THR A 74 79.259 -2.013 13.043 1.00 0.00 C ATOM 1141 C THR A 74 80.715 -2.223 12.618 1.00 0.00 C ATOM 1142 O THR A 74 81.061 -2.071 11.464 1.00 0.00 O ATOM 1143 CB THR A 74 78.489 -3.333 12.960 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.818 -3.996 11.747 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.986 -3.064 13.003 1.00 0.00 C ATOM 0 H THR A 74 77.759 -1.484 11.616 1.00 0.00 H new ATOM 0 HA THR A 74 79.275 -1.613 14.057 1.00 0.00 H new ATOM 0 HB THR A 74 78.763 -3.961 13.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.327 -4.842 11.693 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.445 -4.009 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.733 -2.559 13.936 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.705 -2.432 12.161 1.00 0.00 H new ATOM 1153 N LEU A 75 81.567 -2.585 13.539 1.00 0.00 N ATOM 1154 CA LEU A 75 82.994 -2.818 13.173 1.00 0.00 C ATOM 1155 C LEU A 75 83.077 -3.843 12.038 1.00 0.00 C ATOM 1156 O LEU A 75 83.831 -3.666 11.102 1.00 0.00 O ATOM 1157 CB LEU A 75 83.658 -3.364 14.439 1.00 0.00 C ATOM 1158 CG LEU A 75 85.151 -3.036 14.415 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.656 -2.840 15.846 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.913 -4.191 13.761 1.00 0.00 C ATOM 0 H LEU A 75 81.339 -2.729 14.523 1.00 0.00 H new ATOM 0 HA LEU A 75 83.484 -1.908 12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 75 83.193 -2.928 15.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.513 -4.442 14.502 1.00 0.00 H new ATOM 0 HG LEU A 75 85.313 -2.121 13.845 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.720 -2.606 15.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 85.112 -2.020 16.314 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.495 -3.754 16.417 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.978 -3.960 13.742 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.750 -5.105 14.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.555 -4.332 12.741 1.00 0.00 H new ATOM 1172 N PRO A 76 82.293 -4.886 12.155 1.00 0.00 N ATOM 1173 CA PRO A 76 82.286 -5.942 11.115 1.00 0.00 C ATOM 1174 C PRO A 76 81.852 -5.361 9.770 1.00 0.00 C ATOM 1175 O PRO A 76 82.258 -5.828 8.725 1.00 0.00 O ATOM 1176 CB PRO A 76 81.263 -6.963 11.617 1.00 0.00 C ATOM 1177 CG PRO A 76 81.049 -6.643 13.062 1.00 0.00 C ATOM 1178 CD PRO A 76 81.355 -5.182 13.241 1.00 0.00 C ATOM 0 HA PRO A 76 83.270 -6.384 10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.330 -6.891 11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.632 -7.981 11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.022 -6.860 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 76 81.697 -7.252 13.692 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.454 -4.573 13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.797 -4.982 14.217 1.00 0.00 H new ATOM 1186 N GLU A 77 81.036 -4.340 9.778 1.00 0.00 N ATOM 1187 CA GLU A 77 80.602 -3.750 8.482 1.00 0.00 C ATOM 1188 C GLU A 77 81.671 -2.766 7.994 1.00 0.00 C ATOM 1189 O GLU A 77 81.792 -2.496 6.816 1.00 0.00 O ATOM 1190 CB GLU A 77 79.251 -3.071 8.779 1.00 0.00 C ATOM 1191 CG GLU A 77 79.380 -1.544 8.792 1.00 0.00 C ATOM 1192 CD GLU A 77 77.983 -0.924 8.767 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.158 -1.343 9.561 1.00 0.00 O ATOM 1194 OE2 GLU A 77 77.760 -0.044 7.953 1.00 0.00 O ATOM 0 H GLU A 77 80.657 -3.896 10.614 1.00 0.00 H new ATOM 0 HA GLU A 77 80.482 -4.484 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 77 78.520 -3.369 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 77 78.875 -3.414 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 77 79.919 -1.220 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 79.956 -1.208 7.930 1.00 0.00 H new ATOM 1201 N PHE A 78 82.460 -2.247 8.896 1.00 0.00 N ATOM 1202 CA PHE A 78 83.536 -1.302 8.490 1.00 0.00 C ATOM 1203 C PHE A 78 84.688 -2.087 7.858 1.00 0.00 C ATOM 1204 O PHE A 78 85.400 -1.590 7.009 1.00 0.00 O ATOM 1205 CB PHE A 78 83.988 -0.631 9.791 1.00 0.00 C ATOM 1206 CG PHE A 78 85.350 -0.006 9.598 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.495 -0.813 9.576 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.469 1.380 9.440 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.757 -0.235 9.394 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.731 1.959 9.260 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.875 1.152 9.237 1.00 0.00 C ATOM 0 H PHE A 78 82.405 -2.438 9.896 1.00 0.00 H new ATOM 0 HA PHE A 78 83.200 -0.568 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.267 0.131 10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.025 -1.365 10.596 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.404 -1.882 9.700 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.587 2.003 9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.639 -0.858 9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.822 3.028 9.139 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.848 1.599 9.098 1.00 0.00 H new ATOM 1221 N CYS A 79 84.875 -3.313 8.270 1.00 0.00 N ATOM 1222 CA CYS A 79 85.979 -4.133 7.695 1.00 0.00 C ATOM 1223 C CYS A 79 85.853 -4.194 6.171 1.00 0.00 C ATOM 1224 O CYS A 79 86.822 -4.392 5.465 1.00 0.00 O ATOM 1225 CB CYS A 79 85.796 -5.522 8.304 1.00 0.00 C ATOM 1226 SG CYS A 79 87.055 -5.796 9.574 1.00 0.00 S ATOM 0 H CYS A 79 84.311 -3.781 8.979 1.00 0.00 H new ATOM 0 HA CYS A 79 86.962 -3.717 7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 79 84.800 -5.612 8.739 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.875 -6.284 7.528 1.00 0.00 H new ATOM 0 HG CYS A 79 86.774 -6.878 10.237 1.00 0.00 H new ATOM 1232 N ALA A 80 84.666 -4.027 5.658 1.00 0.00 N ATOM 1233 CA ALA A 80 84.481 -4.079 4.180 1.00 0.00 C ATOM 1234 C ALA A 80 84.569 -2.672 3.583 1.00 0.00 C ATOM 1235 O ALA A 80 85.202 -2.450 2.567 1.00 0.00 O ATOM 1236 CB ALA A 80 83.085 -4.666 3.973 1.00 0.00 C ATOM 0 H ALA A 80 83.817 -3.857 6.197 1.00 0.00 H new ATOM 0 HA ALA A 80 85.249 -4.677 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.874 -4.736 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 80 83.039 -5.660 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 80 82.345 -4.021 4.447 1.00 0.00 H new ATOM 1242 N ALA A 81 83.942 -1.718 4.208 1.00 0.00 N ATOM 1243 CA ALA A 81 83.996 -0.327 3.680 1.00 0.00 C ATOM 1244 C ALA A 81 85.454 0.095 3.491 1.00 0.00 C ATOM 1245 O ALA A 81 85.797 0.769 2.545 1.00 0.00 O ATOM 1246 CB ALA A 81 83.320 0.533 4.747 1.00 0.00 C ATOM 0 H ALA A 81 83.395 -1.840 5.060 1.00 0.00 H new ATOM 0 HA ALA A 81 83.502 -0.228 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.321 1.575 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.292 0.198 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.864 0.440 5.687 1.00 0.00 H new ATOM 1252 N PHE A 82 86.315 -0.301 4.387 1.00 0.00 N ATOM 1253 CA PHE A 82 87.749 0.076 4.257 1.00 0.00 C ATOM 1254 C PHE A 82 88.434 -0.788 3.192 1.00 0.00 C ATOM 1255 O PHE A 82 89.435 -0.403 2.622 1.00 0.00 O ATOM 1256 CB PHE A 82 88.361 -0.182 5.633 1.00 0.00 C ATOM 1257 CG PHE A 82 89.133 1.038 6.071 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.533 2.301 6.019 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.452 0.908 6.523 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.250 3.434 6.420 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.169 2.041 6.926 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.568 3.304 6.873 1.00 0.00 C ATOM 0 H PHE A 82 86.087 -0.869 5.203 1.00 0.00 H new ATOM 0 HA PHE A 82 87.871 1.114 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.577 -0.410 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.020 -1.049 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.516 2.402 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 82 90.916 -0.066 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.786 4.409 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.185 1.941 7.278 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.121 4.179 7.182 1.00 0.00 H new ATOM 1272 N HIS A 83 87.905 -1.950 2.913 1.00 0.00 N ATOM 1273 CA HIS A 83 88.537 -2.816 1.881 1.00 0.00 C ATOM 1274 C HIS A 83 88.542 -2.084 0.540 1.00 0.00 C ATOM 1275 O HIS A 83 89.469 -2.195 -0.238 1.00 0.00 O ATOM 1276 CB HIS A 83 87.682 -4.103 1.848 1.00 0.00 C ATOM 1277 CG HIS A 83 86.592 -4.031 0.798 1.00 0.00 C ATOM 1278 ND1 HIS A 83 85.271 -4.354 1.077 1.00 0.00 N ATOM 1279 CD2 HIS A 83 86.617 -3.707 -0.535 1.00 0.00 C ATOM 1280 CE1 HIS A 83 84.569 -4.219 -0.061 1.00 0.00 C ATOM 1281 NE2 HIS A 83 85.340 -3.827 -1.076 1.00 0.00 N ATOM 0 H HIS A 83 87.068 -2.333 3.353 1.00 0.00 H new ATOM 0 HA HIS A 83 89.577 -3.060 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 83 88.324 -4.960 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.232 -4.265 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 83 87.497 -3.404 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 83 83.508 -4.405 -0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 83 85.056 -3.653 -2.040 1.00 0.00 H new ATOM 1289 N LEU A 84 87.510 -1.335 0.265 1.00 0.00 N ATOM 1290 CA LEU A 84 87.451 -0.596 -1.028 1.00 0.00 C ATOM 1291 C LEU A 84 88.154 0.761 -0.898 1.00 0.00 C ATOM 1292 O LEU A 84 88.635 1.312 -1.868 1.00 0.00 O ATOM 1293 CB LEU A 84 85.960 -0.410 -1.312 1.00 0.00 C ATOM 1294 CG LEU A 84 85.380 0.618 -0.342 1.00 0.00 C ATOM 1295 CD1 LEU A 84 85.177 1.947 -1.070 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.037 0.117 0.191 1.00 0.00 C ATOM 0 H LEU A 84 86.706 -1.203 0.879 1.00 0.00 H new ATOM 0 HA LEU A 84 87.952 -1.133 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.813 -0.079 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.438 -1.361 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 84 86.069 0.761 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 84.763 2.681 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 84 86.135 2.305 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 84.488 1.804 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.624 0.851 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 84 83.347 -0.027 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 84 84.182 -0.830 0.711 1.00 0.00 H new ATOM 1308 N ILE A 85 88.224 1.303 0.290 1.00 0.00 N ATOM 1309 CA ILE A 85 88.905 2.619 0.466 1.00 0.00 C ATOM 1310 C ILE A 85 90.317 2.554 -0.132 1.00 0.00 C ATOM 1311 O ILE A 85 90.759 3.464 -0.804 1.00 0.00 O ATOM 1312 CB ILE A 85 88.935 2.847 1.990 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.818 3.820 2.373 1.00 0.00 C ATOM 1314 CG2 ILE A 85 90.279 3.439 2.430 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.459 3.195 2.064 1.00 0.00 C ATOM 0 H ILE A 85 87.841 0.893 1.142 1.00 0.00 H new ATOM 0 HA ILE A 85 88.395 3.438 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 85 88.795 1.887 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.884 4.064 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 85 87.932 4.754 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 85 90.274 3.590 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 85 91.083 2.753 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 85 90.437 4.395 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.667 3.892 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.394 2.973 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.345 2.273 2.634 1.00 0.00 H new ATOM 1327 N VAL A 86 91.024 1.484 0.110 1.00 0.00 N ATOM 1328 CA VAL A 86 92.404 1.362 -0.442 1.00 0.00 C ATOM 1329 C VAL A 86 92.352 1.195 -1.963 1.00 0.00 C ATOM 1330 O VAL A 86 93.186 1.706 -2.683 1.00 0.00 O ATOM 1331 CB VAL A 86 92.986 0.110 0.214 1.00 0.00 C ATOM 1332 CG1 VAL A 86 94.377 -0.168 -0.358 1.00 0.00 C ATOM 1333 CG2 VAL A 86 93.092 0.329 1.726 1.00 0.00 C ATOM 0 H VAL A 86 90.706 0.690 0.665 1.00 0.00 H new ATOM 0 HA VAL A 86 93.008 2.246 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 86 92.334 -0.740 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.791 -1.061 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 86 94.303 -0.324 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 86 95.029 0.682 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 93.507 -0.563 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.743 1.180 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 86 92.101 0.527 2.135 1.00 0.00 H new ATOM 1343 N ALA A 87 91.377 0.481 -2.455 1.00 0.00 N ATOM 1344 CA ALA A 87 91.271 0.280 -3.929 1.00 0.00 C ATOM 1345 C ALA A 87 91.087 1.625 -4.635 1.00 0.00 C ATOM 1346 O ALA A 87 91.204 1.726 -5.839 1.00 0.00 O ATOM 1347 CB ALA A 87 90.036 -0.600 -4.120 1.00 0.00 C ATOM 0 H ALA A 87 90.650 0.028 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 87 92.167 -0.178 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.889 -0.794 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 87 90.177 -1.544 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 87 89.160 -0.090 -3.720 1.00 0.00 H new