USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.15) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.24) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -96:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.02) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0551) USER MOD Single : A 66 SER OG : rot 180:sc= -0.474 USER MOD Single : A 71 THR OG1 : rot 122:sc= 0.111 USER MOD Single : A 72 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.499 -4.361 -6.993 1.00 0.00 N ATOM 82 CA VAL A 9 6.209 -2.974 -6.669 1.00 0.00 C ATOM 83 C VAL A 9 5.174 -2.430 -7.656 1.00 0.00 C ATOM 84 O VAL A 9 5.236 -2.723 -8.850 1.00 0.00 O ATOM 85 CB VAL A 9 7.504 -2.159 -6.651 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.210 -0.667 -6.479 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.452 -2.660 -5.560 1.00 0.00 C ATOM 0 HA VAL A 9 5.778 -2.897 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 9 7.999 -2.295 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.147 -0.110 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.590 -0.321 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.683 -0.506 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.364 -2.064 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.968 -2.569 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.700 -3.705 -5.745 1.00 0.00 H new ATOM 97 N ARG A 10 4.247 -1.649 -7.122 1.00 0.00 N ATOM 98 CA ARG A 10 3.201 -1.062 -7.941 1.00 0.00 C ATOM 99 C ARG A 10 3.246 0.465 -7.846 1.00 0.00 C ATOM 100 O ARG A 10 3.636 1.015 -6.818 1.00 0.00 O ATOM 101 CB ARG A 10 1.819 -1.553 -7.505 1.00 0.00 C ATOM 102 CG ARG A 10 1.613 -1.346 -6.003 1.00 0.00 C ATOM 103 CD ARG A 10 1.396 -2.682 -5.290 1.00 0.00 C ATOM 104 NE ARG A 10 1.744 -2.553 -3.857 1.00 0.00 N ATOM 105 CZ ARG A 10 0.893 -2.134 -2.912 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.362 -1.799 -3.241 1.00 0.00 N ATOM 107 NH2 ARG A 10 1.296 -2.048 -1.637 1.00 0.00 N ATOM 0 H ARG A 10 4.199 -1.409 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 10 3.375 -1.370 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.048 -1.018 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.711 -2.610 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.481 -0.841 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.753 -0.697 -5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.357 -2.994 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.009 -3.455 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 10 2.692 -2.799 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.669 -1.863 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.010 -1.480 -2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.251 -2.302 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.647 -1.729 -0.918 1.00 0.00 H new ATOM 121 N LEU A 11 2.841 1.105 -8.933 1.00 0.00 N ATOM 122 CA LEU A 11 2.830 2.557 -8.985 1.00 0.00 C ATOM 123 C LEU A 11 1.401 3.061 -8.772 1.00 0.00 C ATOM 124 O LEU A 11 0.545 2.895 -9.639 1.00 0.00 O ATOM 125 CB LEU A 11 3.468 3.052 -10.285 1.00 0.00 C ATOM 126 CG LEU A 11 4.379 2.056 -11.006 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.313 1.353 -10.019 1.00 0.00 C ATOM 128 CD2 LEU A 11 3.560 1.060 -11.828 1.00 0.00 C ATOM 0 H LEU A 11 2.518 0.645 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 11 3.438 2.970 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.672 3.346 -10.968 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.046 3.949 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 11 5.006 2.611 -11.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.949 0.651 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.935 2.094 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.721 0.813 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.232 0.364 -12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.891 0.507 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.973 1.598 -12.572 1.00 0.00 H new ATOM 140 N VAL A 12 1.188 3.665 -7.612 1.00 0.00 N ATOM 141 CA VAL A 12 -0.123 4.193 -7.274 1.00 0.00 C ATOM 142 C VAL A 12 -0.187 5.673 -7.658 1.00 0.00 C ATOM 143 O VAL A 12 0.816 6.381 -7.582 1.00 0.00 O ATOM 144 CB VAL A 12 -0.420 3.947 -5.793 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.617 4.779 -5.328 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.646 2.459 -5.519 1.00 0.00 C ATOM 0 H VAL A 12 1.901 3.800 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.900 3.677 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 12 0.451 4.264 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.807 4.585 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.401 5.838 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.497 4.507 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.855 2.312 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.492 2.105 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.248 1.899 -5.794 1.00 0.00 H new ATOM 156 N SER A 13 -1.375 6.095 -8.063 1.00 0.00 N ATOM 157 CA SER A 13 -1.583 7.478 -8.460 1.00 0.00 C ATOM 158 C SER A 13 -2.791 8.058 -7.723 1.00 0.00 C ATOM 159 O SER A 13 -3.892 7.515 -7.805 1.00 0.00 O ATOM 160 CB SER A 13 -1.778 7.593 -9.973 1.00 0.00 C ATOM 161 OG SER A 13 -0.834 6.807 -10.695 1.00 0.00 O ATOM 0 H SER A 13 -2.204 5.504 -8.125 1.00 0.00 H new ATOM 0 HA SER A 13 -0.694 8.049 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.788 7.276 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.684 8.637 -10.272 1.00 0.00 H new ATOM 0 HG SER A 13 -0.993 6.906 -11.657 1.00 0.00 H new ATOM 167 N LEU A 14 -2.545 9.153 -7.020 1.00 0.00 N ATOM 168 CA LEU A 14 -3.600 9.813 -6.268 1.00 0.00 C ATOM 169 C LEU A 14 -3.761 11.247 -6.776 1.00 0.00 C ATOM 170 O LEU A 14 -2.817 12.035 -6.731 1.00 0.00 O ATOM 171 CB LEU A 14 -3.326 9.719 -4.766 1.00 0.00 C ATOM 172 CG LEU A 14 -3.845 8.461 -4.067 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.342 8.272 -4.318 1.00 0.00 C ATOM 174 CD2 LEU A 14 -3.034 7.231 -4.480 1.00 0.00 C ATOM 0 H LEU A 14 -1.631 9.600 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.554 9.310 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.249 9.780 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.769 10.589 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.713 8.588 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.685 7.371 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.887 9.135 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.522 8.176 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.423 6.350 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.112 7.089 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.989 7.376 -4.208 1.00 0.00 H new ATOM 315 N LEU A 23 -3.092 12.592 -0.115 1.00 0.00 N ATOM 316 CA LEU A 23 -3.475 11.823 -1.287 1.00 0.00 C ATOM 317 C LEU A 23 -4.589 10.845 -0.909 1.00 0.00 C ATOM 318 O LEU A 23 -4.916 9.943 -1.679 1.00 0.00 O ATOM 319 CB LEU A 23 -2.251 11.150 -1.910 1.00 0.00 C ATOM 320 CG LEU A 23 -0.898 11.790 -1.590 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.249 10.983 -2.202 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.867 13.255 -2.031 1.00 0.00 C ATOM 0 HA LEU A 23 -3.876 12.480 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.226 10.111 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.379 11.139 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.760 11.776 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.199 11.459 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.237 9.971 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.129 10.943 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.105 13.686 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.036 13.315 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.648 13.809 -1.509 1.00 0.00 H new ATOM 334 N GLY A 24 -5.143 11.058 0.276 1.00 0.00 N ATOM 335 CA GLY A 24 -6.214 10.206 0.765 1.00 0.00 C ATOM 336 C GLY A 24 -5.683 9.181 1.769 1.00 0.00 C ATOM 337 O GLY A 24 -6.446 8.632 2.562 1.00 0.00 O ATOM 0 H GLY A 24 -4.870 11.808 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.984 10.817 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.685 9.691 -0.072 1.00 0.00 H new ATOM 341 N PHE A 25 -4.380 8.954 1.702 1.00 0.00 N ATOM 342 CA PHE A 25 -3.738 8.004 2.595 1.00 0.00 C ATOM 343 C PHE A 25 -2.673 8.691 3.452 1.00 0.00 C ATOM 344 O PHE A 25 -1.916 9.525 2.958 1.00 0.00 O ATOM 345 CB PHE A 25 -3.066 6.948 1.716 1.00 0.00 C ATOM 346 CG PHE A 25 -1.759 7.415 1.072 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.624 7.494 1.816 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.733 7.750 -0.246 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.589 7.928 1.218 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.520 8.184 -0.844 1.00 0.00 C ATOM 351 CZ PHE A 25 0.615 8.263 -0.099 1.00 0.00 C ATOM 0 H PHE A 25 -3.751 9.412 1.043 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.477 7.565 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.866 6.062 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.760 6.649 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.645 7.227 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.634 7.686 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.490 7.992 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.499 8.451 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.537 8.592 -0.554 1.00 0.00 H new ATOM 361 N SER A 26 -2.649 8.315 4.723 1.00 0.00 N ATOM 362 CA SER A 26 -1.689 8.884 5.653 1.00 0.00 C ATOM 363 C SER A 26 -0.401 8.059 5.646 1.00 0.00 C ATOM 364 O SER A 26 -0.346 6.992 5.037 1.00 0.00 O ATOM 365 CB SER A 26 -2.268 8.951 7.068 1.00 0.00 C ATOM 366 OG SER A 26 -1.669 9.988 7.841 1.00 0.00 O ATOM 0 H SER A 26 -3.279 7.624 5.130 1.00 0.00 H new ATOM 0 HA SER A 26 -1.463 9.901 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.344 9.116 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.118 7.994 7.567 1.00 0.00 H new ATOM 0 HG SER A 26 -2.066 9.999 8.737 1.00 0.00 H new ATOM 372 N ILE A 27 0.605 8.586 6.329 1.00 0.00 N ATOM 373 CA ILE A 27 1.890 7.912 6.409 1.00 0.00 C ATOM 374 C ILE A 27 2.383 7.933 7.857 1.00 0.00 C ATOM 375 O ILE A 27 1.803 8.610 8.704 1.00 0.00 O ATOM 376 CB ILE A 27 2.878 8.522 5.413 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.317 9.918 5.862 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.295 8.533 3.998 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.532 10.394 5.063 1.00 0.00 C ATOM 0 H ILE A 27 0.556 9.472 6.832 1.00 0.00 H new ATOM 0 HA ILE A 27 1.790 6.865 6.122 1.00 0.00 H new ATOM 0 HB ILE A 27 3.769 7.895 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.494 10.621 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.559 9.903 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.018 8.972 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.073 7.512 3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.379 9.123 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.823 11.388 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.360 9.702 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.279 10.431 4.003 1.00 0.00 H new ATOM 391 N ARG A 28 3.450 7.184 8.096 1.00 0.00 N ATOM 392 CA ARG A 28 4.028 7.108 9.427 1.00 0.00 C ATOM 393 C ARG A 28 5.492 6.671 9.346 1.00 0.00 C ATOM 394 O ARG A 28 5.988 6.347 8.267 1.00 0.00 O ATOM 395 CB ARG A 28 3.256 6.124 10.307 1.00 0.00 C ATOM 396 CG ARG A 28 2.978 4.819 9.558 1.00 0.00 C ATOM 397 CD ARG A 28 2.535 3.717 10.522 1.00 0.00 C ATOM 398 NE ARG A 28 2.587 2.402 9.845 1.00 0.00 N ATOM 399 CZ ARG A 28 2.383 1.230 10.463 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.113 1.203 11.775 1.00 0.00 N ATOM 401 NH2 ARG A 28 2.450 0.086 9.768 1.00 0.00 N ATOM 0 H ARG A 28 3.929 6.625 7.390 1.00 0.00 H new ATOM 0 HA ARG A 28 3.967 8.101 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.827 5.914 11.211 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.315 6.574 10.622 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.204 4.984 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.875 4.503 9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.181 3.709 11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.522 3.915 10.873 1.00 0.00 H new ATOM 0 HE ARG A 28 2.791 2.386 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.063 2.074 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.958 0.311 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.656 0.107 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.295 -0.806 10.238 1.00 0.00 H new ATOM 415 N GLY A 29 6.142 6.675 10.500 1.00 0.00 N ATOM 416 CA GLY A 29 7.539 6.283 10.573 1.00 0.00 C ATOM 417 C GLY A 29 8.459 7.495 10.413 1.00 0.00 C ATOM 418 O GLY A 29 8.245 8.529 11.044 1.00 0.00 O ATOM 0 H GLY A 29 5.727 6.944 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.734 5.798 11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.756 5.552 9.794 1.00 0.00 H new ATOM 422 N GLY A 30 9.463 7.328 9.564 1.00 0.00 N ATOM 423 CA GLY A 30 10.415 8.396 9.313 1.00 0.00 C ATOM 424 C GLY A 30 11.823 7.990 9.754 1.00 0.00 C ATOM 425 O GLY A 30 11.986 7.071 10.555 1.00 0.00 O ATOM 0 H GLY A 30 9.637 6.469 9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.419 8.642 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.108 9.295 9.847 1.00 0.00 H new ATOM 429 N SER A 31 12.805 8.694 9.210 1.00 0.00 N ATOM 430 CA SER A 31 14.194 8.418 9.538 1.00 0.00 C ATOM 431 C SER A 31 14.461 8.750 11.007 1.00 0.00 C ATOM 432 O SER A 31 15.314 8.131 11.642 1.00 0.00 O ATOM 433 CB SER A 31 15.140 9.211 8.634 1.00 0.00 C ATOM 434 OG SER A 31 16.503 9.055 9.021 1.00 0.00 O ATOM 0 H SER A 31 12.667 9.455 8.545 1.00 0.00 H new ATOM 0 HA SER A 31 14.381 7.357 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.016 8.882 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.872 10.267 8.666 1.00 0.00 H new ATOM 0 HG SER A 31 17.076 9.575 8.419 1.00 0.00 H new ATOM 440 N GLU A 32 13.716 9.726 11.505 1.00 0.00 N ATOM 441 CA GLU A 32 13.861 10.147 12.888 1.00 0.00 C ATOM 442 C GLU A 32 13.525 8.991 13.833 1.00 0.00 C ATOM 443 O GLU A 32 13.841 9.044 15.021 1.00 0.00 O ATOM 444 CB GLU A 32 12.989 11.369 13.184 1.00 0.00 C ATOM 445 CG GLU A 32 11.563 11.161 12.671 1.00 0.00 C ATOM 446 CD GLU A 32 10.563 11.988 13.482 1.00 0.00 C ATOM 447 OE1 GLU A 32 10.074 11.450 14.499 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.310 13.140 13.067 1.00 0.00 O ATOM 0 H GLU A 32 13.010 10.237 10.975 1.00 0.00 H new ATOM 0 HA GLU A 32 14.899 10.435 13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.970 11.555 14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.423 12.252 12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.506 11.443 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.301 10.105 12.732 1.00 0.00 H new ATOM 455 N HIS A 33 12.888 7.975 13.271 1.00 0.00 N ATOM 456 CA HIS A 33 12.506 6.809 14.048 1.00 0.00 C ATOM 457 C HIS A 33 13.378 5.617 13.649 1.00 0.00 C ATOM 458 O HIS A 33 13.359 4.580 14.311 1.00 0.00 O ATOM 459 CB HIS A 33 11.010 6.524 13.900 1.00 0.00 C ATOM 460 CG HIS A 33 10.140 7.286 14.871 1.00 0.00 C ATOM 461 ND1 HIS A 33 10.279 7.180 16.244 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.122 8.167 14.654 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.378 7.965 16.818 1.00 0.00 C ATOM 464 NE2 HIS A 33 8.662 8.575 15.831 1.00 0.00 N ATOM 0 H HIS A 33 12.627 7.935 12.286 1.00 0.00 H new ATOM 0 HA HIS A 33 12.678 7.002 15.107 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.703 6.769 12.883 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.839 5.456 14.036 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.753 8.480 13.689 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.236 8.098 17.880 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.898 9.236 15.973 1.00 0.00 H new ATOM 472 N GLY A 34 14.122 5.805 12.569 1.00 0.00 N ATOM 473 CA GLY A 34 15.000 4.758 12.074 1.00 0.00 C ATOM 474 C GLY A 34 14.236 3.777 11.184 1.00 0.00 C ATOM 475 O GLY A 34 14.615 2.612 11.069 1.00 0.00 O ATOM 0 H GLY A 34 14.135 6.666 12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.820 5.203 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.443 4.223 12.914 1.00 0.00 H new ATOM 479 N VAL A 35 13.172 4.283 10.577 1.00 0.00 N ATOM 480 CA VAL A 35 12.351 3.465 9.700 1.00 0.00 C ATOM 481 C VAL A 35 12.172 4.182 8.361 1.00 0.00 C ATOM 482 O VAL A 35 12.468 5.370 8.244 1.00 0.00 O ATOM 483 CB VAL A 35 11.023 3.136 10.384 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.253 2.576 11.789 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.109 4.363 10.427 1.00 0.00 C ATOM 0 H VAL A 35 12.860 5.249 10.675 1.00 0.00 H new ATOM 0 HA VAL A 35 12.841 2.513 9.496 1.00 0.00 H new ATOM 0 HB VAL A 35 10.525 2.367 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.293 2.351 12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.848 1.665 11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.783 3.313 12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.172 4.102 10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.599 5.163 10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.904 4.700 9.411 1.00 0.00 H new ATOM 495 N GLY A 36 11.690 3.429 7.383 1.00 0.00 N ATOM 496 CA GLY A 36 11.468 3.978 6.056 1.00 0.00 C ATOM 497 C GLY A 36 10.174 4.793 6.008 1.00 0.00 C ATOM 498 O GLY A 36 9.963 5.677 6.837 1.00 0.00 O ATOM 0 H GLY A 36 11.447 2.443 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.310 4.610 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.419 3.169 5.327 1.00 0.00 H new ATOM 502 N ILE A 37 9.342 4.466 5.030 1.00 0.00 N ATOM 503 CA ILE A 37 8.075 5.157 4.864 1.00 0.00 C ATOM 504 C ILE A 37 6.962 4.128 4.652 1.00 0.00 C ATOM 505 O ILE A 37 7.167 3.116 3.984 1.00 0.00 O ATOM 506 CB ILE A 37 8.173 6.195 3.745 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.389 7.103 3.944 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.874 6.995 3.623 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.126 8.139 5.039 1.00 0.00 C ATOM 0 H ILE A 37 9.521 3.732 4.345 1.00 0.00 H new ATOM 0 HA ILE A 37 7.826 5.717 5.765 1.00 0.00 H new ATOM 0 HB ILE A 37 8.316 5.668 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.258 6.501 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.626 7.610 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.971 7.726 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.049 6.318 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.675 7.512 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.005 8.771 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.272 8.755 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.913 7.629 5.979 1.00 0.00 H new ATOM 521 N TYR A 38 5.809 4.423 5.234 1.00 0.00 N ATOM 522 CA TYR A 38 4.664 3.536 5.118 1.00 0.00 C ATOM 523 C TYR A 38 3.357 4.292 5.367 1.00 0.00 C ATOM 524 O TYR A 38 3.373 5.428 5.837 1.00 0.00 O ATOM 525 CB TYR A 38 4.840 2.474 6.205 1.00 0.00 C ATOM 526 CG TYR A 38 6.236 1.848 6.243 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.263 2.493 6.902 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.468 0.640 5.618 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.577 1.904 6.938 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.782 0.051 5.654 1.00 0.00 C ATOM 531 CZ TYR A 38 8.771 0.712 6.312 1.00 0.00 C ATOM 532 OH TYR A 38 10.012 0.156 6.346 1.00 0.00 O ATOM 0 H TYR A 38 5.643 5.264 5.787 1.00 0.00 H new ATOM 0 HA TYR A 38 4.613 3.105 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.628 2.923 7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.103 1.685 6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.081 3.439 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.664 0.136 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.390 2.398 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.977 -0.894 5.169 1.00 0.00 H new ATOM 0 HH TYR A 38 9.956 -0.785 6.077 1.00 0.00 H new ATOM 542 N VAL A 39 2.256 3.630 5.042 1.00 0.00 N ATOM 543 CA VAL A 39 0.944 4.225 5.225 1.00 0.00 C ATOM 544 C VAL A 39 0.460 3.955 6.651 1.00 0.00 C ATOM 545 O VAL A 39 0.659 2.863 7.181 1.00 0.00 O ATOM 546 CB VAL A 39 -0.021 3.703 4.157 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.474 3.984 4.547 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.304 4.299 2.786 1.00 0.00 C ATOM 0 H VAL A 39 2.246 2.687 4.653 1.00 0.00 H new ATOM 0 HA VAL A 39 0.994 5.306 5.098 1.00 0.00 H new ATOM 0 HB VAL A 39 0.105 2.622 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.139 3.603 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.699 3.490 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.620 5.059 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.396 3.912 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.220 5.385 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.320 4.026 2.502 1.00 0.00 H new ATOM 558 N SER A 40 -0.165 4.969 7.231 1.00 0.00 N ATOM 559 CA SER A 40 -0.678 4.855 8.586 1.00 0.00 C ATOM 560 C SER A 40 -2.207 4.907 8.572 1.00 0.00 C ATOM 561 O SER A 40 -2.856 4.450 9.513 1.00 0.00 O ATOM 562 CB SER A 40 -0.117 5.960 9.483 1.00 0.00 C ATOM 563 OG SER A 40 -1.122 6.532 10.316 1.00 0.00 O ATOM 0 H SER A 40 -0.328 5.873 6.788 1.00 0.00 H new ATOM 0 HA SER A 40 -0.357 3.897 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.681 5.553 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.328 6.739 8.864 1.00 0.00 H new ATOM 0 HG SER A 40 -0.724 7.232 10.875 1.00 0.00 H new ATOM 569 N LEU A 41 -2.739 5.467 7.496 1.00 0.00 N ATOM 570 CA LEU A 41 -4.179 5.584 7.347 1.00 0.00 C ATOM 571 C LEU A 41 -4.535 5.599 5.859 1.00 0.00 C ATOM 572 O LEU A 41 -3.782 6.127 5.043 1.00 0.00 O ATOM 573 CB LEU A 41 -4.700 6.801 8.116 1.00 0.00 C ATOM 574 CG LEU A 41 -6.002 7.414 7.599 1.00 0.00 C ATOM 575 CD1 LEU A 41 -7.104 6.357 7.499 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.427 8.606 8.459 1.00 0.00 C ATOM 0 H LEU A 41 -2.198 5.845 6.718 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.678 4.720 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.846 6.513 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.929 7.571 8.103 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.825 7.791 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.019 6.819 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.792 5.570 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.287 5.928 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.356 9.023 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.580 8.277 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.648 9.368 8.434 1.00 0.00 H new ATOM 588 N VAL A 42 -5.683 5.013 5.552 1.00 0.00 N ATOM 589 CA VAL A 42 -6.147 4.952 4.177 1.00 0.00 C ATOM 590 C VAL A 42 -7.637 5.299 4.130 1.00 0.00 C ATOM 591 O VAL A 42 -8.433 4.733 4.878 1.00 0.00 O ATOM 592 CB VAL A 42 -5.835 3.578 3.579 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.817 3.232 2.459 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.389 3.513 3.082 1.00 0.00 C ATOM 0 H VAL A 42 -6.305 4.576 6.232 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.622 5.685 3.565 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.952 2.834 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.573 2.251 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.832 3.218 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.747 3.980 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.193 2.527 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.233 4.272 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.710 3.694 3.915 1.00 0.00 H new ATOM 604 N GLU A 43 -7.968 6.227 3.245 1.00 0.00 N ATOM 605 CA GLU A 43 -9.347 6.657 3.091 1.00 0.00 C ATOM 606 C GLU A 43 -10.179 5.549 2.442 1.00 0.00 C ATOM 607 O GLU A 43 -9.710 4.870 1.529 1.00 0.00 O ATOM 608 CB GLU A 43 -9.431 7.952 2.281 1.00 0.00 C ATOM 609 CG GLU A 43 -9.215 9.174 3.176 1.00 0.00 C ATOM 610 CD GLU A 43 -10.511 9.971 3.337 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.548 9.323 3.592 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.434 11.212 3.202 1.00 0.00 O ATOM 0 H GLU A 43 -7.304 6.694 2.627 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.756 6.860 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.681 7.939 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.405 8.019 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.857 8.854 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.442 9.812 2.747 1.00 0.00 H new ATOM 619 N PRO A 44 -11.431 5.396 2.951 1.00 0.00 N ATOM 620 CA PRO A 44 -12.332 4.382 2.431 1.00 0.00 C ATOM 621 C PRO A 44 -12.898 4.797 1.071 1.00 0.00 C ATOM 622 O PRO A 44 -12.902 5.979 0.731 1.00 0.00 O ATOM 623 CB PRO A 44 -13.403 4.223 3.497 1.00 0.00 C ATOM 624 CG PRO A 44 -13.325 5.474 4.356 1.00 0.00 C ATOM 625 CD PRO A 44 -12.019 6.181 4.032 1.00 0.00 C ATOM 0 HA PRO A 44 -11.832 3.432 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.390 4.120 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.230 3.328 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.173 6.128 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.366 5.214 5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.193 7.212 3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.361 6.215 4.900 1.00 0.00 H new ATOM 633 N GLY A 45 -13.363 3.802 0.331 1.00 0.00 N ATOM 634 CA GLY A 45 -13.931 4.049 -0.984 1.00 0.00 C ATOM 635 C GLY A 45 -13.167 5.157 -1.711 1.00 0.00 C ATOM 636 O GLY A 45 -13.754 5.921 -2.476 1.00 0.00 O ATOM 0 H GLY A 45 -13.358 2.823 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.901 3.134 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.979 4.330 -0.884 1.00 0.00 H new ATOM 640 N SER A 46 -11.869 5.209 -1.448 1.00 0.00 N ATOM 641 CA SER A 46 -11.019 6.211 -2.068 1.00 0.00 C ATOM 642 C SER A 46 -10.242 5.591 -3.231 1.00 0.00 C ATOM 643 O SER A 46 -10.374 4.399 -3.505 1.00 0.00 O ATOM 644 CB SER A 46 -10.053 6.820 -1.050 1.00 0.00 C ATOM 645 OG SER A 46 -8.965 5.948 -0.758 1.00 0.00 O ATOM 0 H SER A 46 -11.386 4.573 -0.814 1.00 0.00 H new ATOM 0 HA SER A 46 -11.655 7.010 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.668 7.764 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.592 7.048 -0.130 1.00 0.00 H new ATOM 0 HG SER A 46 -9.164 5.438 0.055 1.00 0.00 H new ATOM 651 N LEU A 47 -9.450 6.427 -3.885 1.00 0.00 N ATOM 652 CA LEU A 47 -8.652 5.976 -5.012 1.00 0.00 C ATOM 653 C LEU A 47 -7.526 5.073 -4.506 1.00 0.00 C ATOM 654 O LEU A 47 -7.377 3.942 -4.967 1.00 0.00 O ATOM 655 CB LEU A 47 -8.160 7.171 -5.833 1.00 0.00 C ATOM 656 CG LEU A 47 -7.267 6.840 -7.029 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.717 5.545 -7.709 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.208 8.012 -8.011 1.00 0.00 C ATOM 0 H LEU A 47 -9.344 7.415 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.259 5.379 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.029 7.721 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.612 7.841 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.254 6.676 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.065 5.333 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.664 4.722 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.743 5.656 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.566 7.750 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.211 8.233 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.804 8.890 -7.506 1.00 0.00 H new ATOM 670 N ALA A 48 -6.762 5.605 -3.563 1.00 0.00 N ATOM 671 CA ALA A 48 -5.654 4.861 -2.989 1.00 0.00 C ATOM 672 C ALA A 48 -6.083 3.410 -2.763 1.00 0.00 C ATOM 673 O ALA A 48 -5.531 2.493 -3.369 1.00 0.00 O ATOM 674 CB ALA A 48 -5.197 5.542 -1.698 1.00 0.00 C ATOM 0 H ALA A 48 -6.889 6.543 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.804 4.851 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.366 4.984 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.876 6.560 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.024 5.568 -0.988 1.00 0.00 H new ATOM 680 N GLU A 49 -7.064 3.246 -1.887 1.00 0.00 N ATOM 681 CA GLU A 49 -7.574 1.922 -1.573 1.00 0.00 C ATOM 682 C GLU A 49 -7.869 1.148 -2.860 1.00 0.00 C ATOM 683 O GLU A 49 -7.630 -0.057 -2.932 1.00 0.00 O ATOM 684 CB GLU A 49 -8.819 2.009 -0.688 1.00 0.00 C ATOM 685 CG GLU A 49 -9.529 0.656 -0.606 1.00 0.00 C ATOM 686 CD GLU A 49 -10.500 0.475 -1.775 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.173 1.472 -2.114 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.547 -0.657 -2.302 1.00 0.00 O ATOM 0 H GLU A 49 -7.519 4.008 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.809 1.383 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.536 2.337 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.502 2.759 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.792 -0.147 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.071 0.582 0.337 1.00 0.00 H new ATOM 695 N LYS A 50 -8.383 1.871 -3.843 1.00 0.00 N ATOM 696 CA LYS A 50 -8.713 1.267 -5.123 1.00 0.00 C ATOM 697 C LYS A 50 -7.422 0.916 -5.864 1.00 0.00 C ATOM 698 O LYS A 50 -7.374 -0.064 -6.605 1.00 0.00 O ATOM 699 CB LYS A 50 -9.651 2.177 -5.919 1.00 0.00 C ATOM 700 CG LYS A 50 -11.103 1.995 -5.470 1.00 0.00 C ATOM 701 CD LYS A 50 -12.050 2.845 -6.319 1.00 0.00 C ATOM 702 CE LYS A 50 -13.158 1.985 -6.931 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.426 2.169 -6.190 1.00 0.00 N ATOM 0 H LYS A 50 -8.579 2.870 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.260 0.336 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.353 3.217 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.565 1.954 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.383 0.944 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.201 2.273 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.491 3.629 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.489 3.340 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.299 2.254 -7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.866 0.935 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.167 1.578 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.292 1.890 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.711 3.168 -6.233 1.00 0.00 H new ATOM 717 N GLU A 51 -6.406 1.737 -5.639 1.00 0.00 N ATOM 718 CA GLU A 51 -5.118 1.525 -6.277 1.00 0.00 C ATOM 719 C GLU A 51 -4.400 0.333 -5.641 1.00 0.00 C ATOM 720 O GLU A 51 -3.516 -0.263 -6.255 1.00 0.00 O ATOM 721 CB GLU A 51 -4.255 2.787 -6.202 1.00 0.00 C ATOM 722 CG GLU A 51 -4.897 3.936 -6.982 1.00 0.00 C ATOM 723 CD GLU A 51 -5.100 3.556 -8.450 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.101 3.625 -9.198 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.251 3.205 -8.791 1.00 0.00 O ATOM 0 H GLU A 51 -6.449 2.550 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.289 1.302 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.121 3.079 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.264 2.579 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.856 4.194 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.266 4.822 -6.916 1.00 0.00 H new ATOM 732 N GLY A 52 -4.808 0.020 -4.420 1.00 0.00 N ATOM 733 CA GLY A 52 -4.215 -1.091 -3.695 1.00 0.00 C ATOM 734 C GLY A 52 -3.667 -0.633 -2.342 1.00 0.00 C ATOM 735 O GLY A 52 -3.575 -1.424 -1.405 1.00 0.00 O ATOM 0 H GLY A 52 -5.542 0.516 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.961 -1.871 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.412 -1.529 -4.287 1.00 0.00 H new ATOM 739 N LEU A 53 -3.316 0.643 -2.284 1.00 0.00 N ATOM 740 CA LEU A 53 -2.779 1.217 -1.061 1.00 0.00 C ATOM 741 C LEU A 53 -3.557 0.671 0.138 1.00 0.00 C ATOM 742 O LEU A 53 -4.713 0.272 0.003 1.00 0.00 O ATOM 743 CB LEU A 53 -2.771 2.744 -1.145 1.00 0.00 C ATOM 744 CG LEU A 53 -1.447 3.428 -0.796 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.451 3.315 -1.952 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.674 4.881 -0.375 1.00 0.00 C ATOM 0 H LEU A 53 -3.393 1.296 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.738 0.923 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.051 3.034 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.543 3.129 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.010 2.911 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.481 3.809 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.256 2.264 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.868 3.792 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.717 5.343 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.144 5.427 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.323 4.909 0.501 1.00 0.00 H new ATOM 758 N ARG A 54 -2.892 0.670 1.284 1.00 0.00 N ATOM 759 CA ARG A 54 -3.506 0.179 2.505 1.00 0.00 C ATOM 760 C ARG A 54 -2.523 0.283 3.673 1.00 0.00 C ATOM 761 O ARG A 54 -1.332 0.018 3.512 1.00 0.00 O ATOM 762 CB ARG A 54 -3.953 -1.276 2.351 1.00 0.00 C ATOM 763 CG ARG A 54 -5.474 -1.371 2.211 1.00 0.00 C ATOM 764 CD ARG A 54 -6.089 -2.109 3.401 1.00 0.00 C ATOM 765 NE ARG A 54 -7.561 -2.162 3.257 1.00 0.00 N ATOM 766 CZ ARG A 54 -8.380 -2.769 4.127 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.875 -3.378 5.208 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.703 -2.767 3.915 1.00 0.00 N ATOM 0 H ARG A 54 -1.934 1.002 1.392 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.381 0.796 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.476 -1.716 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.627 -1.854 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.899 -0.370 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.726 -1.891 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.685 -3.119 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.824 -1.603 4.330 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.978 -1.708 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.868 -3.380 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.498 -3.840 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.087 -2.304 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.326 -3.229 4.577 1.00 0.00 H new ATOM 782 N VAL A 55 -3.057 0.669 4.822 1.00 0.00 N ATOM 783 CA VAL A 55 -2.241 0.811 6.016 1.00 0.00 C ATOM 784 C VAL A 55 -1.322 -0.405 6.148 1.00 0.00 C ATOM 785 O VAL A 55 -1.753 -1.470 6.588 1.00 0.00 O ATOM 786 CB VAL A 55 -3.136 1.019 7.240 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.396 0.654 8.528 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.662 2.454 7.296 1.00 0.00 C ATOM 0 H VAL A 55 -4.045 0.888 4.952 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.605 1.693 5.941 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.993 0.352 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.054 0.811 9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.094 -0.393 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.512 1.283 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.295 2.575 8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.823 3.147 7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.243 2.664 6.398 1.00 0.00 H new ATOM 798 N GLY A 56 -0.071 -0.207 5.758 1.00 0.00 N ATOM 799 CA GLY A 56 0.913 -1.274 5.827 1.00 0.00 C ATOM 800 C GLY A 56 1.880 -1.205 4.643 1.00 0.00 C ATOM 801 O GLY A 56 3.003 -1.700 4.725 1.00 0.00 O ATOM 0 H GLY A 56 0.284 0.677 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.470 -1.200 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.408 -2.240 5.833 1.00 0.00 H new ATOM 805 N ASP A 57 1.408 -0.588 3.570 1.00 0.00 N ATOM 806 CA ASP A 57 2.217 -0.448 2.371 1.00 0.00 C ATOM 807 C ASP A 57 3.578 0.142 2.745 1.00 0.00 C ATOM 808 O ASP A 57 3.834 0.431 3.913 1.00 0.00 O ATOM 809 CB ASP A 57 1.553 0.495 1.365 1.00 0.00 C ATOM 810 CG ASP A 57 1.705 1.984 1.678 1.00 0.00 C ATOM 811 OD1 ASP A 57 2.117 2.286 2.819 1.00 0.00 O ATOM 812 OD2 ASP A 57 1.407 2.789 0.768 1.00 0.00 O ATOM 0 H ASP A 57 0.476 -0.179 3.506 1.00 0.00 H new ATOM 0 HA ASP A 57 2.327 -1.435 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.972 0.302 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.491 0.257 1.313 1.00 0.00 H new ATOM 817 N GLN A 58 4.416 0.303 1.731 1.00 0.00 N ATOM 818 CA GLN A 58 5.744 0.853 1.939 1.00 0.00 C ATOM 819 C GLN A 58 6.139 1.746 0.761 1.00 0.00 C ATOM 820 O GLN A 58 6.378 1.256 -0.342 1.00 0.00 O ATOM 821 CB GLN A 58 6.772 -0.260 2.151 1.00 0.00 C ATOM 822 CG GLN A 58 8.176 0.318 2.338 1.00 0.00 C ATOM 823 CD GLN A 58 9.164 -0.769 2.768 1.00 0.00 C ATOM 824 OE1 GLN A 58 8.951 -1.953 2.567 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.253 -0.301 3.372 1.00 0.00 N ATOM 0 H GLN A 58 4.201 0.062 0.764 1.00 0.00 H new ATOM 0 HA GLN A 58 5.726 1.463 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.499 -0.850 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.764 -0.935 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.513 0.773 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.151 1.109 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.369 0.703 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.972 -0.946 3.699 1.00 0.00 H new ATOM 834 N ILE A 59 6.195 3.041 1.034 1.00 0.00 N ATOM 835 CA ILE A 59 6.557 4.007 0.011 1.00 0.00 C ATOM 836 C ILE A 59 8.074 3.994 -0.184 1.00 0.00 C ATOM 837 O ILE A 59 8.815 4.514 0.649 1.00 0.00 O ATOM 838 CB ILE A 59 5.993 5.388 0.353 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.533 5.288 0.800 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.169 6.358 -0.816 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.622 4.932 -0.377 1.00 0.00 C ATOM 0 H ILE A 59 5.996 3.444 1.950 1.00 0.00 H new ATOM 0 HA ILE A 59 6.110 3.733 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 59 6.561 5.790 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.439 4.532 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.217 6.236 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.760 7.331 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.229 6.462 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.644 5.973 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.590 4.867 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.700 5.703 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.926 3.972 -0.795 1.00 0.00 H new ATOM 853 N LEU A 60 8.492 3.394 -1.289 1.00 0.00 N ATOM 854 CA LEU A 60 9.908 3.306 -1.603 1.00 0.00 C ATOM 855 C LEU A 60 10.354 4.596 -2.294 1.00 0.00 C ATOM 856 O LEU A 60 11.401 5.151 -1.964 1.00 0.00 O ATOM 857 CB LEU A 60 10.199 2.042 -2.414 1.00 0.00 C ATOM 858 CG LEU A 60 9.530 0.758 -1.919 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.685 -0.370 -2.940 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.060 0.360 -0.540 1.00 0.00 C ATOM 0 H LEU A 60 7.875 2.964 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 60 10.496 3.214 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.888 2.216 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.277 1.884 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 60 8.462 0.949 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.201 -1.271 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.221 -0.075 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.744 -0.569 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.568 -0.556 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.136 0.193 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.854 1.158 0.173 1.00 0.00 H new ATOM 872 N ARG A 61 9.536 5.036 -3.239 1.00 0.00 N ATOM 873 CA ARG A 61 9.833 6.251 -3.980 1.00 0.00 C ATOM 874 C ARG A 61 8.600 7.155 -4.033 1.00 0.00 C ATOM 875 O ARG A 61 7.490 6.715 -3.737 1.00 0.00 O ATOM 876 CB ARG A 61 10.284 5.930 -5.406 1.00 0.00 C ATOM 877 CG ARG A 61 11.779 5.607 -5.449 1.00 0.00 C ATOM 878 CD ARG A 61 12.116 4.727 -6.654 1.00 0.00 C ATOM 879 NE ARG A 61 12.610 3.410 -6.196 1.00 0.00 N ATOM 880 CZ ARG A 61 12.661 2.316 -6.969 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.247 2.375 -8.242 1.00 0.00 N ATOM 882 NH2 ARG A 61 13.125 1.163 -6.469 1.00 0.00 N ATOM 0 H ARG A 61 8.668 4.573 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 61 10.643 6.766 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.714 5.084 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.073 6.778 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.353 6.532 -5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.071 5.099 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.232 4.596 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.872 5.214 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 61 12.932 3.329 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.893 3.252 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.286 1.542 -8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.440 1.117 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.164 0.331 -7.057 1.00 0.00 H new ATOM 896 N VAL A 62 8.836 8.402 -4.413 1.00 0.00 N ATOM 897 CA VAL A 62 7.758 9.372 -4.509 1.00 0.00 C ATOM 898 C VAL A 62 7.953 10.221 -5.766 1.00 0.00 C ATOM 899 O VAL A 62 8.909 10.990 -5.859 1.00 0.00 O ATOM 900 CB VAL A 62 7.690 10.206 -3.228 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.874 11.170 -3.138 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.361 10.959 -3.135 1.00 0.00 C ATOM 0 H VAL A 62 9.758 8.763 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 62 6.796 8.867 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 62 7.749 9.524 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.801 11.751 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.805 10.603 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.860 11.844 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.338 11.544 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.260 11.625 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.538 10.245 -3.131 1.00 0.00 H new ATOM 912 N ASN A 63 7.031 10.054 -6.703 1.00 0.00 N ATOM 913 CA ASN A 63 7.089 10.796 -7.951 1.00 0.00 C ATOM 914 C ASN A 63 8.233 10.252 -8.810 1.00 0.00 C ATOM 915 O ASN A 63 8.003 9.742 -9.905 1.00 0.00 O ATOM 916 CB ASN A 63 7.353 12.281 -7.697 1.00 0.00 C ATOM 917 CG ASN A 63 6.995 13.120 -8.926 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.815 13.827 -9.487 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.728 13.001 -9.311 1.00 0.00 N ATOM 0 H ASN A 63 6.240 9.416 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 63 6.130 10.682 -8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.768 12.617 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.403 12.429 -7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.390 13.520 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.094 12.391 -8.796 1.00 0.00 H new ATOM 926 N ASP A 64 9.440 10.380 -8.280 1.00 0.00 N ATOM 927 CA ASP A 64 10.620 9.908 -8.984 1.00 0.00 C ATOM 928 C ASP A 64 11.754 9.686 -7.980 1.00 0.00 C ATOM 929 O ASP A 64 12.439 8.666 -8.027 1.00 0.00 O ATOM 930 CB ASP A 64 11.095 10.935 -10.013 1.00 0.00 C ATOM 931 CG ASP A 64 10.780 10.585 -11.469 1.00 0.00 C ATOM 932 OD1 ASP A 64 10.242 9.477 -11.682 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.084 11.433 -12.335 1.00 0.00 O ATOM 0 H ASP A 64 9.627 10.804 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 64 10.359 8.980 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.640 11.898 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.173 11.059 -9.910 1.00 0.00 H new ATOM 938 N LYS A 65 11.916 10.659 -7.095 1.00 0.00 N ATOM 939 CA LYS A 65 12.954 10.583 -6.081 1.00 0.00 C ATOM 940 C LYS A 65 12.623 9.456 -5.101 1.00 0.00 C ATOM 941 O LYS A 65 11.453 9.155 -4.868 1.00 0.00 O ATOM 942 CB LYS A 65 13.149 11.944 -5.410 1.00 0.00 C ATOM 943 CG LYS A 65 14.511 12.025 -4.718 1.00 0.00 C ATOM 944 CD LYS A 65 14.543 13.169 -3.703 1.00 0.00 C ATOM 945 CE LYS A 65 15.967 13.418 -3.203 1.00 0.00 C ATOM 946 NZ LYS A 65 16.756 14.142 -4.225 1.00 0.00 N ATOM 0 H LYS A 65 11.346 11.504 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 65 13.913 10.338 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.068 12.735 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.356 12.111 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.724 11.082 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.293 12.173 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.150 14.077 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.894 12.931 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.939 13.997 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.448 12.468 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.666 14.437 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.928 13.517 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.229 14.982 -4.539 1.00 0.00 H new ATOM 960 N SER A 66 13.673 8.864 -4.553 1.00 0.00 N ATOM 961 CA SER A 66 13.508 7.776 -3.604 1.00 0.00 C ATOM 962 C SER A 66 13.748 8.284 -2.180 1.00 0.00 C ATOM 963 O SER A 66 14.774 8.902 -1.902 1.00 0.00 O ATOM 964 CB SER A 66 14.457 6.619 -3.921 1.00 0.00 C ATOM 965 OG SER A 66 14.685 6.484 -5.321 1.00 0.00 O ATOM 0 H SER A 66 14.642 9.117 -4.748 1.00 0.00 H new ATOM 0 HA SER A 66 12.487 7.404 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.408 6.780 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.040 5.691 -3.530 1.00 0.00 H new ATOM 0 HG SER A 66 15.297 5.736 -5.482 1.00 0.00 H new ATOM 971 N LEU A 67 12.784 8.004 -1.316 1.00 0.00 N ATOM 972 CA LEU A 67 12.877 8.424 0.072 1.00 0.00 C ATOM 973 C LEU A 67 14.147 7.839 0.693 1.00 0.00 C ATOM 974 O LEU A 67 15.027 8.580 1.128 1.00 0.00 O ATOM 975 CB LEU A 67 11.598 8.060 0.829 1.00 0.00 C ATOM 976 CG LEU A 67 10.285 8.496 0.175 1.00 0.00 C ATOM 977 CD1 LEU A 67 9.185 7.458 0.410 1.00 0.00 C ATOM 978 CD2 LEU A 67 9.870 9.888 0.654 1.00 0.00 C ATOM 0 H LEU A 67 11.934 7.491 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 67 12.960 9.509 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.573 6.978 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.650 8.502 1.824 1.00 0.00 H new ATOM 0 HG LEU A 67 10.444 8.560 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.262 7.792 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.489 6.503 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.020 7.339 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.934 10.174 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.734 9.875 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.646 10.608 0.394 1.00 0.00 H new ATOM 990 N ALA A 68 14.201 6.515 0.714 1.00 0.00 N ATOM 991 CA ALA A 68 15.349 5.823 1.275 1.00 0.00 C ATOM 992 C ALA A 68 15.577 6.302 2.710 1.00 0.00 C ATOM 993 O ALA A 68 16.641 6.829 3.030 1.00 0.00 O ATOM 994 CB ALA A 68 16.570 6.052 0.383 1.00 0.00 C ATOM 0 H ALA A 68 13.469 5.904 0.352 1.00 0.00 H new ATOM 0 HA ALA A 68 15.169 4.749 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.431 5.533 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.368 5.667 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.783 7.119 0.325 1.00 0.00 H new ATOM 1000 N ARG A 69 14.561 6.101 3.536 1.00 0.00 N ATOM 1001 CA ARG A 69 14.637 6.506 4.929 1.00 0.00 C ATOM 1002 C ARG A 69 14.890 8.011 5.031 1.00 0.00 C ATOM 1003 O ARG A 69 16.009 8.473 4.809 1.00 0.00 O ATOM 1004 CB ARG A 69 15.753 5.757 5.660 1.00 0.00 C ATOM 1005 CG ARG A 69 15.294 4.359 6.077 1.00 0.00 C ATOM 1006 CD ARG A 69 16.198 3.282 5.474 1.00 0.00 C ATOM 1007 NE ARG A 69 16.391 2.181 6.444 1.00 0.00 N ATOM 1008 CZ ARG A 69 17.238 1.159 6.263 1.00 0.00 C ATOM 1009 NH1 ARG A 69 17.976 1.091 5.147 1.00 0.00 N ATOM 1010 NH2 ARG A 69 17.347 0.205 7.197 1.00 0.00 N ATOM 0 H ARG A 69 13.680 5.663 3.267 1.00 0.00 H new ATOM 0 HA ARG A 69 13.684 6.262 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.627 5.679 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.058 6.321 6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.302 4.279 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.266 4.198 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.755 2.895 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.162 3.714 5.205 1.00 0.00 H new ATOM 0 HE ARG A 69 15.844 2.202 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.893 1.817 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.621 0.313 5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.785 0.256 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.992 -0.573 7.059 1.00 0.00 H new ATOM 1024 N VAL A 70 13.833 8.736 5.368 1.00 0.00 N ATOM 1025 CA VAL A 70 13.927 10.179 5.502 1.00 0.00 C ATOM 1026 C VAL A 70 12.939 10.653 6.570 1.00 0.00 C ATOM 1027 O VAL A 70 11.861 10.080 6.722 1.00 0.00 O ATOM 1028 CB VAL A 70 13.704 10.847 4.143 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.876 10.573 3.199 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.381 10.395 3.521 1.00 0.00 C ATOM 0 H VAL A 70 12.907 8.350 5.552 1.00 0.00 H new ATOM 0 HA VAL A 70 14.925 10.468 5.831 1.00 0.00 H new ATOM 0 HB VAL A 70 13.648 11.924 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.692 11.059 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.794 10.966 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.978 9.498 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.247 10.884 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.395 9.314 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.557 10.664 4.182 1.00 0.00 H new ATOM 1040 N THR A 71 13.342 11.695 7.283 1.00 0.00 N ATOM 1041 CA THR A 71 12.506 12.252 8.332 1.00 0.00 C ATOM 1042 C THR A 71 11.051 12.339 7.866 1.00 0.00 C ATOM 1043 O THR A 71 10.786 12.626 6.699 1.00 0.00 O ATOM 1044 CB THR A 71 13.095 13.604 8.738 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.008 14.391 7.553 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.596 13.526 9.025 1.00 0.00 C ATOM 0 H THR A 71 14.237 12.168 7.154 1.00 0.00 H new ATOM 0 HA THR A 71 12.495 11.608 9.212 1.00 0.00 H new ATOM 0 HB THR A 71 12.576 13.976 9.621 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.476 15.195 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.964 14.512 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.775 12.824 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.120 13.186 8.132 1.00 0.00 H new ATOM 1054 N HIS A 72 10.147 12.085 8.800 1.00 0.00 N ATOM 1055 CA HIS A 72 8.726 12.131 8.500 1.00 0.00 C ATOM 1056 C HIS A 72 8.399 13.433 7.767 1.00 0.00 C ATOM 1057 O HIS A 72 7.430 13.498 7.012 1.00 0.00 O ATOM 1058 CB HIS A 72 7.896 11.940 9.770 1.00 0.00 C ATOM 1059 CG HIS A 72 6.483 11.470 9.516 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.374 12.260 9.765 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.011 10.286 9.031 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.289 11.571 9.443 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.686 10.348 8.988 1.00 0.00 N ATOM 0 H HIS A 72 10.371 11.846 9.766 1.00 0.00 H new ATOM 0 HA HIS A 72 8.463 11.306 7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.398 11.218 10.414 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.862 12.884 10.315 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.389 13.211 10.134 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.614 9.441 8.732 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.269 11.917 9.526 1.00 0.00 H new ATOM 1071 N ALA A 73 9.225 14.438 8.015 1.00 0.00 N ATOM 1072 CA ALA A 73 9.035 15.735 7.388 1.00 0.00 C ATOM 1073 C ALA A 73 9.510 15.669 5.935 1.00 0.00 C ATOM 1074 O ALA A 73 8.888 16.252 5.048 1.00 0.00 O ATOM 1075 CB ALA A 73 9.774 16.805 8.195 1.00 0.00 C ATOM 0 H ALA A 73 10.028 14.381 8.642 1.00 0.00 H new ATOM 0 HA ALA A 73 7.979 16.005 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.632 17.778 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.380 16.832 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.838 16.568 8.225 1.00 0.00 H new ATOM 1081 N GLU A 74 10.608 14.954 5.737 1.00 0.00 N ATOM 1082 CA GLU A 74 11.173 14.804 4.407 1.00 0.00 C ATOM 1083 C GLU A 74 10.169 14.119 3.478 1.00 0.00 C ATOM 1084 O GLU A 74 9.687 14.726 2.523 1.00 0.00 O ATOM 1085 CB GLU A 74 12.492 14.030 4.456 1.00 0.00 C ATOM 1086 CG GLU A 74 13.679 14.980 4.630 1.00 0.00 C ATOM 1087 CD GLU A 74 13.942 15.770 3.346 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.317 15.120 2.347 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.763 17.006 3.394 1.00 0.00 O ATOM 0 H GLU A 74 11.121 14.472 6.475 1.00 0.00 H new ATOM 0 HA GLU A 74 11.387 15.796 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.469 13.317 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.614 13.454 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.481 15.669 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.569 14.411 4.900 1.00 0.00 H new ATOM 1096 N ALA A 75 9.884 12.863 3.790 1.00 0.00 N ATOM 1097 CA ALA A 75 8.946 12.088 2.995 1.00 0.00 C ATOM 1098 C ALA A 75 7.765 12.976 2.599 1.00 0.00 C ATOM 1099 O ALA A 75 7.390 13.032 1.429 1.00 0.00 O ATOM 1100 CB ALA A 75 8.508 10.852 3.783 1.00 0.00 C ATOM 0 H ALA A 75 10.286 12.363 4.583 1.00 0.00 H new ATOM 0 HA ALA A 75 9.418 11.738 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.805 10.271 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.380 10.240 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.027 11.163 4.710 1.00 0.00 H new ATOM 1106 N VAL A 76 7.211 13.649 3.597 1.00 0.00 N ATOM 1107 CA VAL A 76 6.080 14.532 3.367 1.00 0.00 C ATOM 1108 C VAL A 76 6.449 15.559 2.296 1.00 0.00 C ATOM 1109 O VAL A 76 5.760 15.682 1.284 1.00 0.00 O ATOM 1110 CB VAL A 76 5.641 15.174 4.685 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.518 16.186 4.454 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.221 14.109 5.700 1.00 0.00 C ATOM 0 H VAL A 76 7.524 13.601 4.567 1.00 0.00 H new ATOM 0 HA VAL A 76 5.225 13.968 2.995 1.00 0.00 H new ATOM 0 HB VAL A 76 6.495 15.711 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.225 16.628 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.867 16.970 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.660 15.682 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.914 14.592 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.388 13.532 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.061 13.444 5.898 1.00 0.00 H new ATOM 1122 N LYS A 77 7.536 16.271 2.554 1.00 0.00 N ATOM 1123 CA LYS A 77 8.006 17.284 1.623 1.00 0.00 C ATOM 1124 C LYS A 77 8.134 16.669 0.228 1.00 0.00 C ATOM 1125 O LYS A 77 8.118 17.383 -0.773 1.00 0.00 O ATOM 1126 CB LYS A 77 9.299 17.923 2.135 1.00 0.00 C ATOM 1127 CG LYS A 77 8.998 19.108 3.054 1.00 0.00 C ATOM 1128 CD LYS A 77 10.103 19.287 4.097 1.00 0.00 C ATOM 1129 CE LYS A 77 9.534 19.827 5.411 1.00 0.00 C ATOM 1130 NZ LYS A 77 10.603 20.456 6.219 1.00 0.00 N ATOM 0 H LYS A 77 8.105 16.167 3.394 1.00 0.00 H new ATOM 0 HA LYS A 77 7.284 18.097 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.887 17.180 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.903 18.257 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.902 20.018 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.042 18.951 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.597 18.332 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.860 19.972 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.751 20.556 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.073 19.016 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.200 20.817 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.337 19.751 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.024 21.243 5.685 1.00 0.00 H new ATOM 1144 N ALA A 78 8.258 15.350 0.207 1.00 0.00 N ATOM 1145 CA ALA A 78 8.389 14.631 -1.049 1.00 0.00 C ATOM 1146 C ALA A 78 6.996 14.284 -1.580 1.00 0.00 C ATOM 1147 O ALA A 78 6.740 14.394 -2.778 1.00 0.00 O ATOM 1148 CB ALA A 78 9.258 13.389 -0.838 1.00 0.00 C ATOM 0 H ALA A 78 8.271 14.761 1.039 1.00 0.00 H new ATOM 0 HA ALA A 78 8.883 15.251 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.356 12.849 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.245 13.691 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.792 12.741 -0.096 1.00 0.00 H new ATOM 1154 N LEU A 79 6.133 13.873 -0.663 1.00 0.00 N ATOM 1155 CA LEU A 79 4.774 13.509 -1.025 1.00 0.00 C ATOM 1156 C LEU A 79 3.918 14.775 -1.110 1.00 0.00 C ATOM 1157 O LEU A 79 3.011 14.971 -0.303 1.00 0.00 O ATOM 1158 CB LEU A 79 4.224 12.460 -0.057 1.00 0.00 C ATOM 1159 CG LEU A 79 4.805 11.051 -0.195 1.00 0.00 C ATOM 1160 CD1 LEU A 79 5.060 10.426 1.178 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.908 10.171 -1.068 1.00 0.00 C ATOM 0 H LEU A 79 6.348 13.784 0.330 1.00 0.00 H new ATOM 0 HA LEU A 79 4.754 13.042 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.400 12.806 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.144 12.401 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 79 5.769 11.127 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.473 9.425 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.767 11.043 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.122 10.364 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.344 9.175 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.919 10.098 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.821 10.612 -2.061 1.00 0.00 H new ATOM 1257 N LEU A 85 1.456 12.467 -9.293 1.00 0.00 N ATOM 1258 CA LEU A 85 2.170 11.901 -8.161 1.00 0.00 C ATOM 1259 C LEU A 85 2.041 10.377 -8.192 1.00 0.00 C ATOM 1260 O LEU A 85 0.996 9.832 -7.839 1.00 0.00 O ATOM 1261 CB LEU A 85 1.688 12.533 -6.854 1.00 0.00 C ATOM 1262 CG LEU A 85 2.284 11.955 -5.569 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.748 11.559 -5.773 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.110 12.925 -4.399 1.00 0.00 C ATOM 0 HA LEU A 85 3.233 12.132 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.910 13.600 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.604 12.434 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 85 1.737 11.046 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.147 11.151 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.815 10.806 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.326 12.437 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.542 12.490 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.615 13.864 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.049 13.114 -4.238 1.00 0.00 H new ATOM 1276 N VAL A 86 3.118 9.732 -8.616 1.00 0.00 N ATOM 1277 CA VAL A 86 3.138 8.282 -8.697 1.00 0.00 C ATOM 1278 C VAL A 86 3.785 7.714 -7.432 1.00 0.00 C ATOM 1279 O VAL A 86 4.997 7.817 -7.251 1.00 0.00 O ATOM 1280 CB VAL A 86 3.844 7.839 -9.981 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.163 6.343 -9.943 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.010 8.191 -11.214 1.00 0.00 C ATOM 0 H VAL A 86 3.983 10.187 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 86 2.123 7.888 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 86 4.787 8.381 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.664 6.054 -10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.815 6.131 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.238 5.776 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.534 7.866 -12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.044 7.689 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.857 9.269 -11.254 1.00 0.00 H new ATOM 1292 N LEU A 87 2.948 7.126 -6.591 1.00 0.00 N ATOM 1293 CA LEU A 87 3.423 6.541 -5.348 1.00 0.00 C ATOM 1294 C LEU A 87 4.000 5.153 -5.631 1.00 0.00 C ATOM 1295 O LEU A 87 3.290 4.266 -6.104 1.00 0.00 O ATOM 1296 CB LEU A 87 2.312 6.543 -4.296 1.00 0.00 C ATOM 1297 CG LEU A 87 1.567 7.866 -4.109 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.542 9.044 -4.068 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.494 8.047 -5.186 1.00 0.00 C ATOM 0 H LEU A 87 1.943 7.042 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 87 4.229 7.142 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.586 5.775 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.745 6.255 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 87 1.057 7.838 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.986 9.972 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.236 8.914 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.100 9.087 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.021 8.995 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.962 8.046 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.224 7.229 -5.125 1.00 0.00 H new ATOM 1311 N SER A 88 5.282 5.007 -5.330 1.00 0.00 N ATOM 1312 CA SER A 88 5.962 3.742 -5.546 1.00 0.00 C ATOM 1313 C SER A 88 5.899 2.890 -4.276 1.00 0.00 C ATOM 1314 O SER A 88 6.661 3.113 -3.336 1.00 0.00 O ATOM 1315 CB SER A 88 7.417 3.963 -5.964 1.00 0.00 C ATOM 1316 OG SER A 88 7.518 4.495 -7.283 1.00 0.00 O ATOM 0 H SER A 88 5.868 5.744 -4.938 1.00 0.00 H new ATOM 0 HA SER A 88 5.455 3.216 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.897 4.643 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.957 3.018 -5.912 1.00 0.00 H new ATOM 0 HG SER A 88 8.462 4.624 -7.512 1.00 0.00 H new ATOM 1322 N VAL A 89 4.984 1.933 -4.289 1.00 0.00 N ATOM 1323 CA VAL A 89 4.811 1.047 -3.150 1.00 0.00 C ATOM 1324 C VAL A 89 5.283 -0.359 -3.527 1.00 0.00 C ATOM 1325 O VAL A 89 5.314 -0.712 -4.704 1.00 0.00 O ATOM 1326 CB VAL A 89 3.357 1.082 -2.675 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.199 2.000 -1.461 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.420 1.505 -3.808 1.00 0.00 C ATOM 0 H VAL A 89 4.354 1.751 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 89 5.421 1.381 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 89 3.080 0.073 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.156 2.007 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.824 1.636 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.504 3.012 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.393 1.522 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.697 2.500 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.501 0.795 -4.631 1.00 0.00 H new ATOM 1338 N TYR A 90 5.639 -1.123 -2.504 1.00 0.00 N ATOM 1339 CA TYR A 90 6.108 -2.482 -2.713 1.00 0.00 C ATOM 1340 C TYR A 90 5.090 -3.499 -2.195 1.00 0.00 C ATOM 1341 O TYR A 90 4.410 -3.251 -1.200 1.00 0.00 O ATOM 1342 CB TYR A 90 7.399 -2.612 -1.903 1.00 0.00 C ATOM 1343 CG TYR A 90 7.729 -4.046 -1.484 1.00 0.00 C ATOM 1344 CD1 TYR A 90 8.022 -4.995 -2.442 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.733 -4.391 -0.147 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.333 -6.345 -2.047 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.043 -5.740 0.247 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.328 -6.651 -0.722 1.00 0.00 C ATOM 1349 OH TYR A 90 8.621 -7.925 -0.350 1.00 0.00 O ATOM 0 H TYR A 90 5.612 -0.826 -1.528 1.00 0.00 H new ATOM 0 HA TYR A 90 6.260 -2.677 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.227 -2.217 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.319 -1.993 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.018 -4.726 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.504 -3.649 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.565 -7.097 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.049 -6.023 1.289 1.00 0.00 H new ATOM 0 HH TYR A 90 8.581 -7.998 0.626 1.00 0.00 H new ATOM 1359 N SER A 91 5.016 -4.624 -2.892 1.00 0.00 N ATOM 1360 CA SER A 91 4.092 -5.679 -2.514 1.00 0.00 C ATOM 1361 C SER A 91 4.816 -7.027 -2.498 1.00 0.00 C ATOM 1362 O SER A 91 5.863 -7.181 -3.125 1.00 0.00 O ATOM 1363 CB SER A 91 2.896 -5.731 -3.467 1.00 0.00 C ATOM 1364 OG SER A 91 3.149 -6.562 -4.597 1.00 0.00 O ATOM 0 H SER A 91 5.581 -4.827 -3.716 1.00 0.00 H new ATOM 0 HA SER A 91 3.716 -5.463 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.022 -6.103 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.658 -4.722 -3.805 1.00 0.00 H new ATOM 0 HG SER A 91 2.361 -6.570 -5.180 1.00 0.00 H new