USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 60 ASN : amide:sc= -9.17! C(o=-23!,f=-12!) USER MOD Set 1.2: A 62 GLN : amide:sc= -13.4! C(o=-23!,f=-23!) USER MOD Set 2.1: A 55 THR OG1 : rot 124:sc= 1.25 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 7 THR OG1 : rot 134:sc= 0.53 USER MOD Set 3.2: A 9 THR OG1 : rot -136:sc= -0.784 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.108) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.23 (180deg=0.505) USER MOD Single : A 2 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0161 (180deg=-0.298) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -1.14 (180deg=-1.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 25 ASN : amide:sc= -0.258 K(o=-0.26,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0595 (180deg=-0.512) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0216 (180deg=-0.248) USER MOD Single : A 31 GLN : amide:sc= -0.329 K(o=-0.33,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00114 K(o=-0.0011,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= -3.22 X(o=-3.2,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.215) USER MOD Single : A 49 GLN : amide:sc= -1.93! C(o=-1.9!,f=-5.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 26:sc= 0.207 USER MOD Single : A 68 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.795 30.906 2.623 1.00 0.00 N ATOM 2 CA MET A 1 33.943 32.242 3.266 1.00 0.00 C ATOM 3 C MET A 1 34.585 32.073 4.636 1.00 0.00 C ATOM 4 O MET A 1 34.712 30.956 5.139 1.00 0.00 O ATOM 5 CB MET A 1 32.563 32.894 3.411 1.00 0.00 C ATOM 6 CG MET A 1 31.722 32.113 4.426 1.00 0.00 C ATOM 7 SD MET A 1 29.987 32.623 4.290 1.00 0.00 S ATOM 8 CE MET A 1 29.377 31.833 5.802 1.00 0.00 C ATOM 0 H1 MET A 1 32.938 30.897 2.034 1.00 0.00 H new ATOM 0 H2 MET A 1 34.626 30.713 2.028 1.00 0.00 H new ATOM 0 H3 MET A 1 33.717 30.174 3.358 1.00 0.00 H new ATOM 0 HA MET A 1 34.576 32.880 2.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.672 33.929 3.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.057 32.914 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.813 31.042 4.243 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.088 32.296 5.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.287 31.858 5.812 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.716 30.798 5.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.760 32.367 6.672 1.00 0.00 H new ATOM 20 N GLN A 2 34.991 33.187 5.240 1.00 0.00 N ATOM 21 CA GLN A 2 35.625 33.164 6.560 1.00 0.00 C ATOM 22 C GLN A 2 34.776 33.930 7.572 1.00 0.00 C ATOM 23 O GLN A 2 33.956 34.772 7.203 1.00 0.00 O ATOM 24 CB GLN A 2 37.012 33.803 6.472 1.00 0.00 C ATOM 25 CG GLN A 2 37.638 33.874 7.866 1.00 0.00 C ATOM 26 CD GLN A 2 39.131 34.164 7.752 1.00 0.00 C ATOM 27 OE1 GLN A 2 39.560 35.303 7.940 1.00 0.00 O ATOM 28 NE2 GLN A 2 39.954 33.195 7.453 1.00 0.00 N ATOM 0 H GLN A 2 34.893 34.119 4.838 1.00 0.00 H new ATOM 0 HA GLN A 2 35.716 32.128 6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.649 33.221 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.935 34.803 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.151 34.653 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.481 32.933 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.597 32.252 7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 2 40.954 33.381 7.375 1.00 0.00 H new ATOM 37 N ILE A 3 35.004 33.648 8.850 1.00 0.00 N ATOM 38 CA ILE A 3 34.284 34.329 9.925 1.00 0.00 C ATOM 39 C ILE A 3 35.099 34.295 11.204 1.00 0.00 C ATOM 40 O ILE A 3 36.127 33.629 11.276 1.00 0.00 O ATOM 41 CB ILE A 3 32.897 33.713 10.172 1.00 0.00 C ATOM 42 CG1 ILE A 3 33.025 32.189 10.376 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.971 34.026 8.986 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.660 31.515 10.207 1.00 0.00 C ATOM 0 H ILE A 3 35.680 32.954 9.169 1.00 0.00 H new ATOM 0 HA ILE A 3 34.136 35.363 9.613 1.00 0.00 H new ATOM 0 HB ILE A 3 32.465 34.146 11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.733 31.777 9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.421 31.980 11.370 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.989 33.588 9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.872 35.106 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 3 32.394 33.607 8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.764 30.440 10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.963 31.915 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.280 31.709 9.204 1.00 0.00 H new ATOM 56 N PHE A 4 34.628 35.022 12.209 1.00 0.00 N ATOM 57 CA PHE A 4 35.321 35.095 13.495 1.00 0.00 C ATOM 58 C PHE A 4 34.523 34.389 14.579 1.00 0.00 C ATOM 59 O PHE A 4 33.306 34.556 14.675 1.00 0.00 O ATOM 60 CB PHE A 4 35.504 36.563 13.888 1.00 0.00 C ATOM 61 CG PHE A 4 36.195 37.313 12.774 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.459 37.757 11.668 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.568 37.576 12.851 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.096 38.461 10.640 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.205 38.279 11.821 1.00 0.00 C ATOM 66 CZ PHE A 4 37.469 38.723 10.716 1.00 0.00 C ATOM 0 H PHE A 4 33.769 35.570 12.161 1.00 0.00 H new ATOM 0 HA PHE A 4 36.290 34.605 13.395 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.535 37.016 14.096 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.091 36.633 14.804 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.400 37.556 11.609 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.136 37.237 13.705 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.528 38.802 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.265 38.479 11.879 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.960 39.267 9.923 1.00 0.00 H new ATOM 76 N VAL A 5 35.219 33.614 15.410 1.00 0.00 N ATOM 77 CA VAL A 5 34.579 32.895 16.509 1.00 0.00 C ATOM 78 C VAL A 5 35.079 33.453 17.829 1.00 0.00 C ATOM 79 O VAL A 5 36.284 33.554 18.065 1.00 0.00 O ATOM 80 CB VAL A 5 34.884 31.396 16.412 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.535 30.701 17.735 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.039 30.789 15.288 1.00 0.00 C ATOM 0 H VAL A 5 36.226 33.468 15.342 1.00 0.00 H new ATOM 0 HA VAL A 5 33.499 33.027 16.448 1.00 0.00 H new ATOM 0 HB VAL A 5 35.945 31.256 16.204 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.755 29.636 17.656 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.127 31.135 18.541 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.475 30.837 17.949 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.249 29.722 15.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.982 30.936 15.508 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.285 31.276 14.344 1.00 0.00 H new ATOM 92 N LYS A 6 34.136 33.828 18.674 1.00 0.00 N ATOM 93 CA LYS A 6 34.451 34.407 19.978 1.00 0.00 C ATOM 94 C LYS A 6 34.072 33.448 21.103 1.00 0.00 C ATOM 95 O LYS A 6 32.961 32.920 21.125 1.00 0.00 O ATOM 96 CB LYS A 6 33.664 35.712 20.135 1.00 0.00 C ATOM 97 CG LYS A 6 34.259 36.552 21.261 1.00 0.00 C ATOM 98 CD LYS A 6 33.552 37.909 21.293 1.00 0.00 C ATOM 99 CE LYS A 6 34.004 38.703 22.519 1.00 0.00 C ATOM 100 NZ LYS A 6 33.432 38.085 23.749 1.00 0.00 N ATOM 0 H LYS A 6 33.138 33.743 18.483 1.00 0.00 H new ATOM 0 HA LYS A 6 35.523 34.597 20.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.686 36.274 19.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 32.618 35.491 20.349 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.138 36.041 22.216 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.329 36.688 21.105 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.777 38.467 20.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 32.472 37.765 21.320 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.092 38.715 22.577 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.678 39.740 22.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.457 38.774 24.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.448 37.801 23.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.991 37.248 24.009 1.00 0.00 H new ATOM 114 N THR A 7 34.999 33.225 22.041 1.00 0.00 N ATOM 115 CA THR A 7 34.740 32.328 23.170 1.00 0.00 C ATOM 116 C THR A 7 34.533 33.135 24.447 1.00 0.00 C ATOM 117 O THR A 7 34.601 34.365 24.440 1.00 0.00 O ATOM 118 CB THR A 7 35.911 31.359 23.362 1.00 0.00 C ATOM 119 OG1 THR A 7 37.001 32.047 23.959 1.00 0.00 O ATOM 120 CG2 THR A 7 36.341 30.792 22.008 1.00 0.00 C ATOM 0 H THR A 7 35.927 33.649 22.041 1.00 0.00 H new ATOM 0 HA THR A 7 33.837 31.757 22.954 1.00 0.00 H new ATOM 0 HB THR A 7 35.599 30.540 24.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.370 31.505 24.687 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.174 30.103 22.150 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.505 30.261 21.554 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.651 31.607 21.354 1.00 0.00 H new ATOM 128 N LEU A 8 34.298 32.442 25.552 1.00 0.00 N ATOM 129 CA LEU A 8 34.094 33.119 26.827 1.00 0.00 C ATOM 130 C LEU A 8 35.401 33.728 27.335 1.00 0.00 C ATOM 131 O LEU A 8 35.387 34.671 28.130 1.00 0.00 O ATOM 132 CB LEU A 8 33.531 32.131 27.867 1.00 0.00 C ATOM 133 CG LEU A 8 33.410 32.817 29.237 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.538 34.071 29.116 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.769 31.847 30.243 1.00 0.00 C ATOM 0 H LEU A 8 34.244 31.424 25.594 1.00 0.00 H new ATOM 0 HA LEU A 8 33.376 33.925 26.676 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.554 31.770 27.545 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.183 31.261 27.944 1.00 0.00 H new ATOM 0 HG LEU A 8 34.404 33.101 29.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.456 34.553 30.090 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.992 34.763 28.406 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.545 33.791 28.765 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.684 32.334 31.214 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.777 31.561 29.892 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.391 30.957 30.337 1.00 0.00 H new ATOM 147 N THR A 9 36.531 33.185 26.894 1.00 0.00 N ATOM 148 CA THR A 9 37.828 33.695 27.333 1.00 0.00 C ATOM 149 C THR A 9 38.251 34.898 26.493 1.00 0.00 C ATOM 150 O THR A 9 39.398 35.340 26.569 1.00 0.00 O ATOM 151 CB THR A 9 38.895 32.600 27.237 1.00 0.00 C ATOM 152 OG1 THR A 9 38.787 31.945 25.984 1.00 0.00 O ATOM 153 CG2 THR A 9 38.693 31.587 28.364 1.00 0.00 C ATOM 0 H THR A 9 36.578 32.402 26.242 1.00 0.00 H new ATOM 0 HA THR A 9 37.730 34.009 28.372 1.00 0.00 H new ATOM 0 HB THR A 9 39.884 33.048 27.329 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.862 30.977 26.114 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.453 30.809 28.294 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.778 32.092 29.326 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.704 31.137 28.276 1.00 0.00 H new ATOM 161 N GLY A 10 37.322 35.435 25.704 1.00 0.00 N ATOM 162 CA GLY A 10 37.625 36.596 24.877 1.00 0.00 C ATOM 163 C GLY A 10 38.617 36.245 23.778 1.00 0.00 C ATOM 164 O GLY A 10 39.306 37.117 23.248 1.00 0.00 O ATOM 0 H GLY A 10 36.366 35.089 25.622 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.706 36.979 24.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.034 37.392 25.499 1.00 0.00 H new ATOM 168 N LYS A 11 38.674 34.966 23.425 1.00 0.00 N ATOM 169 CA LYS A 11 39.576 34.511 22.369 1.00 0.00 C ATOM 170 C LYS A 11 38.888 34.653 21.018 1.00 0.00 C ATOM 171 O LYS A 11 37.742 34.232 20.853 1.00 0.00 O ATOM 172 CB LYS A 11 39.958 33.044 22.590 1.00 0.00 C ATOM 173 CG LYS A 11 40.745 32.898 23.897 1.00 0.00 C ATOM 174 CD LYS A 11 40.962 31.411 24.199 1.00 0.00 C ATOM 175 CE LYS A 11 41.771 30.767 23.068 1.00 0.00 C ATOM 176 NZ LYS A 11 42.809 31.724 22.588 1.00 0.00 N ATOM 0 H LYS A 11 38.111 34.229 23.850 1.00 0.00 H new ATOM 0 HA LYS A 11 40.479 35.120 22.391 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.060 32.427 22.626 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.557 32.686 21.753 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.705 33.407 23.815 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.202 33.371 24.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.488 31.295 25.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 40.001 30.907 24.304 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.243 29.850 23.421 1.00 0.00 H new ATOM 0 HE3 LYS A 11 41.110 30.490 22.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.538 31.207 22.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.367 32.434 21.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.247 32.199 23.403 1.00 0.00 H new ATOM 190 N THR A 12 39.593 35.232 20.048 1.00 0.00 N ATOM 191 CA THR A 12 39.042 35.412 18.704 1.00 0.00 C ATOM 192 C THR A 12 39.852 34.603 17.709 1.00 0.00 C ATOM 193 O THR A 12 41.061 34.790 17.568 1.00 0.00 O ATOM 194 CB THR A 12 39.081 36.890 18.301 1.00 0.00 C ATOM 195 OG1 THR A 12 38.445 37.670 19.305 1.00 0.00 O ATOM 196 CG2 THR A 12 38.344 37.072 16.968 1.00 0.00 C ATOM 0 H THR A 12 40.543 35.584 20.165 1.00 0.00 H new ATOM 0 HA THR A 12 38.007 35.071 18.705 1.00 0.00 H new ATOM 0 HB THR A 12 40.116 37.213 18.192 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.471 38.616 19.050 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.370 38.123 16.678 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.830 36.471 16.199 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.308 36.751 17.078 1.00 0.00 H new ATOM 204 N ILE A 13 39.174 33.702 17.019 1.00 0.00 N ATOM 205 CA ILE A 13 39.824 32.852 16.022 1.00 0.00 C ATOM 206 C ILE A 13 39.008 32.831 14.742 1.00 0.00 C ATOM 207 O ILE A 13 37.778 32.823 14.776 1.00 0.00 O ATOM 208 CB ILE A 13 39.986 31.433 16.561 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.790 30.601 15.561 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.612 30.800 16.765 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.075 29.221 16.156 1.00 0.00 C ATOM 0 H ILE A 13 38.173 33.536 17.127 1.00 0.00 H new ATOM 0 HA ILE A 13 40.811 33.260 15.806 1.00 0.00 H new ATOM 0 HB ILE A 13 40.511 31.465 17.516 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.235 30.499 14.628 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.726 31.106 15.322 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.731 29.787 17.150 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.040 31.394 17.478 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.082 30.766 15.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.648 28.629 15.443 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.647 29.333 17.077 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.133 28.717 16.373 1.00 0.00 H new ATOM 223 N THR A 14 39.703 32.830 13.614 1.00 0.00 N ATOM 224 CA THR A 14 39.033 32.816 12.318 1.00 0.00 C ATOM 225 C THR A 14 38.974 31.401 11.759 1.00 0.00 C ATOM 226 O THR A 14 39.936 30.639 11.854 1.00 0.00 O ATOM 227 CB THR A 14 39.770 33.738 11.341 1.00 0.00 C ATOM 228 OG1 THR A 14 41.167 33.623 11.552 1.00 0.00 O ATOM 229 CG2 THR A 14 39.329 35.189 11.579 1.00 0.00 C ATOM 0 H THR A 14 40.722 32.839 13.567 1.00 0.00 H new ATOM 0 HA THR A 14 38.013 33.176 12.450 1.00 0.00 H new ATOM 0 HB THR A 14 39.533 33.452 10.316 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.642 34.210 10.927 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.852 35.847 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.254 35.274 11.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.567 35.478 12.603 1.00 0.00 H new ATOM 237 N LEU A 15 37.823 31.065 11.185 1.00 0.00 N ATOM 238 CA LEU A 15 37.589 29.739 10.606 1.00 0.00 C ATOM 239 C LEU A 15 37.141 29.881 9.148 1.00 0.00 C ATOM 240 O LEU A 15 36.460 30.843 8.786 1.00 0.00 O ATOM 241 CB LEU A 15 36.495 29.026 11.433 1.00 0.00 C ATOM 242 CG LEU A 15 37.072 27.852 12.240 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.093 28.365 13.268 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.926 27.142 12.966 1.00 0.00 C ATOM 0 H LEU A 15 37.027 31.698 11.106 1.00 0.00 H new ATOM 0 HA LEU A 15 38.508 29.153 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.027 29.740 12.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.714 28.661 10.766 1.00 0.00 H new ATOM 0 HG LEU A 15 37.574 27.159 11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.494 27.524 13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.905 28.875 12.751 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.604 29.060 13.950 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.323 26.306 13.543 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.431 27.843 13.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.208 26.770 12.236 1.00 0.00 H new ATOM 256 N GLU A 16 37.496 28.894 8.328 1.00 0.00 N ATOM 257 CA GLU A 16 37.100 28.889 6.914 1.00 0.00 C ATOM 258 C GLU A 16 36.015 27.840 6.718 1.00 0.00 C ATOM 259 O GLU A 16 36.222 26.666 7.020 1.00 0.00 O ATOM 260 CB GLU A 16 38.307 28.574 6.014 1.00 0.00 C ATOM 261 CG GLU A 16 38.061 29.137 4.607 1.00 0.00 C ATOM 262 CD GLU A 16 36.841 28.470 3.986 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.752 28.990 4.159 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.014 27.447 3.345 1.00 0.00 O ATOM 0 H GLU A 16 38.054 28.089 8.613 1.00 0.00 H new ATOM 0 HA GLU A 16 36.723 29.874 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 39.212 29.009 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.464 27.497 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.909 30.215 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.937 28.968 3.980 1.00 0.00 H new ATOM 271 N VAL A 17 34.858 28.267 6.220 1.00 0.00 N ATOM 272 CA VAL A 17 33.749 27.339 6.011 1.00 0.00 C ATOM 273 C VAL A 17 32.944 27.698 4.768 1.00 0.00 C ATOM 274 O VAL A 17 33.055 28.800 4.228 1.00 0.00 O ATOM 275 CB VAL A 17 32.837 27.322 7.258 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.682 27.515 8.521 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.799 28.443 7.182 1.00 0.00 C ATOM 0 H VAL A 17 34.664 29.233 5.957 1.00 0.00 H new ATOM 0 HA VAL A 17 34.165 26.344 5.855 1.00 0.00 H new ATOM 0 HB VAL A 17 32.325 26.360 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.034 27.502 9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.412 26.709 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 17 34.202 28.471 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 17 31.167 28.414 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.307 29.406 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 31.183 28.309 6.293 1.00 0.00 H new ATOM 287 N GLU A 18 32.109 26.756 4.339 1.00 0.00 N ATOM 288 CA GLU A 18 31.247 26.951 3.176 1.00 0.00 C ATOM 289 C GLU A 18 29.832 27.274 3.658 1.00 0.00 C ATOM 290 O GLU A 18 29.439 26.853 4.747 1.00 0.00 O ATOM 291 CB GLU A 18 31.229 25.676 2.326 1.00 0.00 C ATOM 292 CG GLU A 18 32.523 25.579 1.516 1.00 0.00 C ATOM 293 CD GLU A 18 32.573 24.247 0.775 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.704 23.230 1.436 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.480 24.265 -0.441 1.00 0.00 O ATOM 0 H GLU A 18 32.010 25.843 4.783 1.00 0.00 H new ATOM 0 HA GLU A 18 31.625 27.774 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.124 24.801 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.369 25.686 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.580 26.403 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.384 25.669 2.178 1.00 0.00 H new ATOM 302 N PRO A 19 29.066 28.010 2.897 1.00 0.00 N ATOM 303 CA PRO A 19 27.681 28.389 3.303 1.00 0.00 C ATOM 304 C PRO A 19 26.779 27.165 3.423 1.00 0.00 C ATOM 305 O PRO A 19 25.689 27.238 3.993 1.00 0.00 O ATOM 306 CB PRO A 19 27.215 29.330 2.177 1.00 0.00 C ATOM 307 CG PRO A 19 28.053 28.957 0.998 1.00 0.00 C ATOM 308 CD PRO A 19 29.410 28.552 1.572 1.00 0.00 C ATOM 0 HA PRO A 19 27.645 28.862 4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 19 26.154 29.199 1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.359 30.375 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.602 28.136 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.153 29.794 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.905 27.808 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.086 29.404 1.648 1.00 0.00 H new ATOM 316 N SER A 20 27.232 26.044 2.862 1.00 0.00 N ATOM 317 CA SER A 20 26.455 24.805 2.883 1.00 0.00 C ATOM 318 C SER A 20 26.998 23.825 3.918 1.00 0.00 C ATOM 319 O SER A 20 26.578 22.668 3.961 1.00 0.00 O ATOM 320 CB SER A 20 26.503 24.155 1.498 1.00 0.00 C ATOM 321 OG SER A 20 27.824 23.692 1.243 1.00 0.00 O ATOM 0 H SER A 20 28.132 25.968 2.388 1.00 0.00 H new ATOM 0 HA SER A 20 25.428 25.051 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.798 23.325 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.203 24.874 0.735 1.00 0.00 H new ATOM 0 HG SER A 20 27.859 23.273 0.358 1.00 0.00 H new ATOM 327 N ASP A 21 27.926 24.281 4.755 1.00 0.00 N ATOM 328 CA ASP A 21 28.497 23.423 5.778 1.00 0.00 C ATOM 329 C ASP A 21 27.454 23.099 6.837 1.00 0.00 C ATOM 330 O ASP A 21 26.593 23.928 7.145 1.00 0.00 O ATOM 331 CB ASP A 21 29.705 24.128 6.416 1.00 0.00 C ATOM 332 CG ASP A 21 30.954 23.956 5.550 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.899 23.191 4.603 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.951 24.584 5.856 1.00 0.00 O ATOM 0 H ASP A 21 28.293 25.232 4.742 1.00 0.00 H new ATOM 0 HA ASP A 21 28.825 22.488 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.488 25.189 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.887 23.719 7.410 1.00 0.00 H new ATOM 339 N THR A 22 27.531 21.890 7.395 1.00 0.00 N ATOM 340 CA THR A 22 26.584 21.473 8.426 1.00 0.00 C ATOM 341 C THR A 22 27.134 21.826 9.799 1.00 0.00 C ATOM 342 O THR A 22 28.347 21.918 9.981 1.00 0.00 O ATOM 343 CB THR A 22 26.340 19.965 8.347 1.00 0.00 C ATOM 344 OG1 THR A 22 27.577 19.280 8.480 1.00 0.00 O ATOM 345 CG2 THR A 22 25.700 19.617 7.002 1.00 0.00 C ATOM 0 H THR A 22 28.232 21.190 7.153 1.00 0.00 H new ATOM 0 HA THR A 22 25.640 21.993 8.264 1.00 0.00 H new ATOM 0 HB THR A 22 25.669 19.663 9.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.423 18.313 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.527 18.542 6.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.750 20.142 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.366 19.918 6.193 1.00 0.00 H new ATOM 353 N ILE A 23 26.244 22.023 10.758 1.00 0.00 N ATOM 354 CA ILE A 23 26.676 22.370 12.104 1.00 0.00 C ATOM 355 C ILE A 23 27.675 21.339 12.608 1.00 0.00 C ATOM 356 O ILE A 23 28.461 21.609 13.514 1.00 0.00 O ATOM 357 CB ILE A 23 25.472 22.438 13.046 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.346 23.255 12.400 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.884 23.095 14.362 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.884 24.602 11.903 1.00 0.00 C ATOM 0 H ILE A 23 25.234 21.950 10.635 1.00 0.00 H new ATOM 0 HA ILE A 23 27.155 23.349 12.079 1.00 0.00 H new ATOM 0 HB ILE A 23 25.117 21.426 13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.915 22.698 11.568 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.546 23.419 13.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.024 23.142 15.030 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.675 22.509 14.829 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.247 24.104 14.167 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.074 25.171 11.447 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.293 25.163 12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.668 24.431 11.165 1.00 0.00 H new ATOM 372 N GLU A 24 27.650 20.164 11.996 1.00 0.00 N ATOM 373 CA GLU A 24 28.567 19.100 12.376 1.00 0.00 C ATOM 374 C GLU A 24 29.959 19.380 11.810 1.00 0.00 C ATOM 375 O GLU A 24 30.938 19.460 12.552 1.00 0.00 O ATOM 376 CB GLU A 24 28.050 17.757 11.851 1.00 0.00 C ATOM 377 CG GLU A 24 26.572 17.598 12.222 1.00 0.00 C ATOM 378 CD GLU A 24 26.094 16.192 11.877 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.662 15.249 12.402 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.166 16.079 11.092 1.00 0.00 O ATOM 0 H GLU A 24 27.009 19.924 11.239 1.00 0.00 H new ATOM 0 HA GLU A 24 28.631 19.058 13.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.172 17.706 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.633 16.940 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.434 17.787 13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.973 18.336 11.687 1.00 0.00 H new ATOM 387 N ASN A 25 30.038 19.528 10.491 1.00 0.00 N ATOM 388 CA ASN A 25 31.307 19.799 9.831 1.00 0.00 C ATOM 389 C ASN A 25 31.979 21.024 10.442 1.00 0.00 C ATOM 390 O ASN A 25 33.185 21.029 10.685 1.00 0.00 O ATOM 391 CB ASN A 25 31.065 20.029 8.341 1.00 0.00 C ATOM 392 CG ASN A 25 32.384 20.285 7.623 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.453 20.033 8.178 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.371 20.772 6.412 1.00 0.00 N ATOM 0 H ASN A 25 29.239 19.465 9.861 1.00 0.00 H new ATOM 0 HA ASN A 25 31.966 18.941 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.570 19.160 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.397 20.879 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.249 20.945 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.483 20.980 5.955 1.00 0.00 H new ATOM 401 N VAL A 26 31.194 22.067 10.684 1.00 0.00 N ATOM 402 CA VAL A 26 31.740 23.292 11.264 1.00 0.00 C ATOM 403 C VAL A 26 32.294 23.015 12.660 1.00 0.00 C ATOM 404 O VAL A 26 33.375 23.487 13.013 1.00 0.00 O ATOM 405 CB VAL A 26 30.665 24.383 11.323 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.266 25.652 11.921 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.159 24.680 9.909 1.00 0.00 C ATOM 0 H VAL A 26 30.193 22.092 10.492 1.00 0.00 H new ATOM 0 HA VAL A 26 32.553 23.644 10.629 1.00 0.00 H new ATOM 0 HB VAL A 26 29.835 24.042 11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.504 26.430 11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.629 25.443 12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.095 25.990 11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.395 25.456 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.989 25.022 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.733 23.774 9.477 1.00 0.00 H new ATOM 417 N LYS A 27 31.559 22.238 13.448 1.00 0.00 N ATOM 418 CA LYS A 27 32.011 21.899 14.792 1.00 0.00 C ATOM 419 C LYS A 27 33.320 21.138 14.687 1.00 0.00 C ATOM 420 O LYS A 27 34.227 21.307 15.502 1.00 0.00 O ATOM 421 CB LYS A 27 30.956 21.049 15.511 1.00 0.00 C ATOM 422 CG LYS A 27 29.863 21.958 16.081 1.00 0.00 C ATOM 423 CD LYS A 27 28.677 21.108 16.553 1.00 0.00 C ATOM 424 CE LYS A 27 27.760 21.952 17.441 1.00 0.00 C ATOM 425 NZ LYS A 27 28.441 22.231 18.737 1.00 0.00 N ATOM 0 H LYS A 27 30.660 21.836 13.184 1.00 0.00 H new ATOM 0 HA LYS A 27 32.161 22.811 15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.520 20.330 14.818 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.421 20.476 16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.259 22.541 16.913 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.535 22.668 15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.122 20.732 15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.036 20.240 17.106 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.512 22.888 16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.822 21.426 17.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.728 22.428 19.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.006 21.404 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.065 23.056 18.631 1.00 0.00 H new ATOM 439 N ALA A 28 33.405 20.305 13.664 1.00 0.00 N ATOM 440 CA ALA A 28 34.598 19.518 13.420 1.00 0.00 C ATOM 441 C ALA A 28 35.799 20.441 13.204 1.00 0.00 C ATOM 442 O ALA A 28 36.891 20.183 13.707 1.00 0.00 O ATOM 443 CB ALA A 28 34.376 18.640 12.188 1.00 0.00 C ATOM 0 H ALA A 28 32.657 20.157 12.987 1.00 0.00 H new ATOM 0 HA ALA A 28 34.801 18.884 14.283 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.270 18.045 11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.529 17.976 12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.171 19.271 11.323 1.00 0.00 H new ATOM 449 N LYS A 29 35.574 21.529 12.471 1.00 0.00 N ATOM 450 CA LYS A 29 36.639 22.498 12.215 1.00 0.00 C ATOM 451 C LYS A 29 37.093 23.118 13.535 1.00 0.00 C ATOM 452 O LYS A 29 38.286 23.337 13.765 1.00 0.00 O ATOM 453 CB LYS A 29 36.147 23.614 11.281 1.00 0.00 C ATOM 454 CG LYS A 29 35.812 23.043 9.900 1.00 0.00 C ATOM 455 CD LYS A 29 35.297 24.167 8.992 1.00 0.00 C ATOM 456 CE LYS A 29 34.941 23.592 7.621 1.00 0.00 C ATOM 457 NZ LYS A 29 36.188 23.189 6.913 1.00 0.00 N ATOM 0 H LYS A 29 34.675 21.761 12.048 1.00 0.00 H new ATOM 0 HA LYS A 29 37.470 21.978 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.265 24.092 11.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.913 24.383 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.697 22.583 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.058 22.261 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.422 24.638 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.057 24.941 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.281 22.732 7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.400 24.333 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.986 23.056 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.908 23.931 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.543 22.298 7.315 1.00 0.00 H new ATOM 471 N ILE A 30 36.124 23.383 14.405 1.00 0.00 N ATOM 472 CA ILE A 30 36.411 23.966 15.700 1.00 0.00 C ATOM 473 C ILE A 30 37.207 22.988 16.558 1.00 0.00 C ATOM 474 O ILE A 30 38.212 23.357 17.159 1.00 0.00 O ATOM 475 CB ILE A 30 35.095 24.339 16.387 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.482 25.553 15.675 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.357 24.692 17.853 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.055 25.790 16.178 1.00 0.00 C ATOM 0 H ILE A 30 35.135 23.202 14.232 1.00 0.00 H new ATOM 0 HA ILE A 30 37.013 24.865 15.568 1.00 0.00 H new ATOM 0 HB ILE A 30 34.409 23.494 16.338 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.092 26.438 15.857 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.474 25.387 14.598 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.417 24.957 18.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.798 23.834 18.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.043 25.537 17.907 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.628 26.653 15.667 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.446 24.909 15.973 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.074 25.976 17.252 1.00 0.00 H new ATOM 490 N GLN A 31 36.750 21.744 16.613 1.00 0.00 N ATOM 491 CA GLN A 31 37.434 20.730 17.408 1.00 0.00 C ATOM 492 C GLN A 31 38.876 20.562 16.941 1.00 0.00 C ATOM 493 O GLN A 31 39.799 20.490 17.749 1.00 0.00 O ATOM 494 CB GLN A 31 36.711 19.384 17.286 1.00 0.00 C ATOM 495 CG GLN A 31 37.403 18.353 18.183 1.00 0.00 C ATOM 496 CD GLN A 31 36.582 17.069 18.238 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.332 16.538 19.321 1.00 0.00 O ATOM 498 NE2 GLN A 31 36.147 16.535 17.130 1.00 0.00 N ATOM 0 H GLN A 31 35.918 21.414 16.123 1.00 0.00 H new ATOM 0 HA GLN A 31 37.428 21.058 18.448 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.666 19.492 17.576 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.721 19.046 16.250 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.401 18.139 17.801 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.526 18.758 19.187 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.356 16.977 16.235 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.598 15.676 17.159 1.00 0.00 H new ATOM 507 N ASP A 32 39.056 20.481 15.631 1.00 0.00 N ATOM 508 CA ASP A 32 40.384 20.297 15.062 1.00 0.00 C ATOM 509 C ASP A 32 41.359 21.375 15.537 1.00 0.00 C ATOM 510 O ASP A 32 42.521 21.081 15.817 1.00 0.00 O ATOM 511 CB ASP A 32 40.302 20.322 13.533 1.00 0.00 C ATOM 512 CG ASP A 32 41.692 20.140 12.932 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.220 19.044 13.030 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.208 21.099 12.383 1.00 0.00 O ATOM 0 H ASP A 32 38.304 20.539 14.945 1.00 0.00 H new ATOM 0 HA ASP A 32 40.758 19.331 15.401 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.639 19.530 13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 32 39.874 21.267 13.199 1.00 0.00 H new ATOM 519 N LYS A 33 40.901 22.626 15.603 1.00 0.00 N ATOM 520 CA LYS A 33 41.778 23.727 16.019 1.00 0.00 C ATOM 521 C LYS A 33 41.796 23.940 17.539 1.00 0.00 C ATOM 522 O LYS A 33 42.838 24.281 18.100 1.00 0.00 O ATOM 523 CB LYS A 33 41.337 25.022 15.334 1.00 0.00 C ATOM 524 CG LYS A 33 41.215 24.789 13.825 1.00 0.00 C ATOM 525 CD LYS A 33 42.597 24.483 13.238 1.00 0.00 C ATOM 526 CE LYS A 33 42.588 24.753 11.730 1.00 0.00 C ATOM 527 NZ LYS A 33 43.918 24.409 11.155 1.00 0.00 N ATOM 0 H LYS A 33 39.945 22.902 15.379 1.00 0.00 H new ATOM 0 HA LYS A 33 42.790 23.455 15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.381 25.353 15.740 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.059 25.814 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.534 23.961 13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.792 25.671 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.354 25.100 13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.862 23.443 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.808 24.162 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.358 25.801 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.912 24.592 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.652 24.991 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.120 23.403 11.325 1.00 0.00 H new ATOM 541 N GLU A 34 40.650 23.778 18.203 1.00 0.00 N ATOM 542 CA GLU A 34 40.578 24.004 19.659 1.00 0.00 C ATOM 543 C GLU A 34 40.670 22.702 20.457 1.00 0.00 C ATOM 544 O GLU A 34 40.895 22.730 21.667 1.00 0.00 O ATOM 545 CB GLU A 34 39.266 24.716 20.008 1.00 0.00 C ATOM 546 CG GLU A 34 39.160 26.020 19.212 1.00 0.00 C ATOM 547 CD GLU A 34 40.216 27.013 19.688 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.443 27.081 20.884 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.780 27.694 18.848 1.00 0.00 O ATOM 0 H GLU A 34 39.770 23.496 17.771 1.00 0.00 H new ATOM 0 HA GLU A 34 41.433 24.622 19.931 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.418 24.070 19.780 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.228 24.927 21.077 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.293 25.818 18.149 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.165 26.449 19.333 1.00 0.00 H new ATOM 556 N GLY A 35 40.541 21.565 19.784 1.00 0.00 N ATOM 557 CA GLY A 35 40.648 20.273 20.459 1.00 0.00 C ATOM 558 C GLY A 35 39.510 20.036 21.457 1.00 0.00 C ATOM 559 O GLY A 35 39.575 19.107 22.263 1.00 0.00 O ATOM 0 H GLY A 35 40.364 21.508 18.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 40.646 19.477 19.715 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.603 20.218 20.982 1.00 0.00 H new ATOM 563 N ILE A 36 38.472 20.870 21.407 1.00 0.00 N ATOM 564 CA ILE A 36 37.336 20.726 22.315 1.00 0.00 C ATOM 565 C ILE A 36 36.224 19.891 21.650 1.00 0.00 C ATOM 566 O ILE A 36 35.880 20.140 20.494 1.00 0.00 O ATOM 567 CB ILE A 36 36.792 22.112 22.662 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.939 22.998 23.152 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.745 21.985 23.763 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.424 24.412 23.438 1.00 0.00 C ATOM 0 H ILE A 36 38.395 21.648 20.752 1.00 0.00 H new ATOM 0 HA ILE A 36 37.665 20.217 23.221 1.00 0.00 H new ATOM 0 HB ILE A 36 36.338 22.558 21.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.378 22.573 24.054 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.728 23.034 22.401 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.356 22.973 24.011 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.929 21.350 23.418 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.200 21.541 24.648 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.247 25.036 23.786 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.006 24.839 22.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.651 24.369 24.206 1.00 0.00 H new ATOM 582 N PRO A 37 35.649 18.915 22.333 1.00 0.00 N ATOM 583 CA PRO A 37 34.566 18.067 21.742 1.00 0.00 C ATOM 584 C PRO A 37 33.247 18.843 21.587 1.00 0.00 C ATOM 585 O PRO A 37 32.972 19.766 22.354 1.00 0.00 O ATOM 586 CB PRO A 37 34.421 16.916 22.747 1.00 0.00 C ATOM 587 CG PRO A 37 34.861 17.492 24.052 1.00 0.00 C ATOM 588 CD PRO A 37 35.954 18.508 23.721 1.00 0.00 C ATOM 0 HA PRO A 37 34.809 17.726 20.735 1.00 0.00 H new ATOM 0 HB2 PRO A 37 33.391 16.562 22.798 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.037 16.063 22.463 1.00 0.00 H new ATOM 0 HG2 PRO A 37 34.028 17.970 24.567 1.00 0.00 H new ATOM 0 HG3 PRO A 37 35.240 16.713 24.713 1.00 0.00 H new ATOM 0 HD2 PRO A 37 35.929 19.359 24.402 1.00 0.00 H new ATOM 0 HD3 PRO A 37 36.947 18.066 23.799 1.00 0.00 H new ATOM 596 N PRO A 38 32.433 18.490 20.619 1.00 0.00 N ATOM 597 CA PRO A 38 31.130 19.182 20.372 1.00 0.00 C ATOM 598 C PRO A 38 30.108 18.912 21.472 1.00 0.00 C ATOM 599 O PRO A 38 29.082 19.588 21.557 1.00 0.00 O ATOM 600 CB PRO A 38 30.670 18.601 19.028 1.00 0.00 C ATOM 601 CG PRO A 38 31.272 17.243 19.001 1.00 0.00 C ATOM 602 CD PRO A 38 32.643 17.391 19.657 1.00 0.00 C ATOM 0 HA PRO A 38 31.235 20.267 20.361 1.00 0.00 H new ATOM 0 HB2 PRO A 38 29.583 18.557 18.963 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.016 19.208 18.191 1.00 0.00 H new ATOM 0 HG2 PRO A 38 30.653 16.528 19.543 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.364 16.875 17.979 1.00 0.00 H new ATOM 0 HD2 PRO A 38 32.954 16.472 20.155 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.415 17.635 18.928 1.00 0.00 H new ATOM 610 N ASP A 39 30.392 17.924 22.309 1.00 0.00 N ATOM 611 CA ASP A 39 29.485 17.579 23.395 1.00 0.00 C ATOM 612 C ASP A 39 29.597 18.576 24.539 1.00 0.00 C ATOM 613 O ASP A 39 28.699 18.672 25.376 1.00 0.00 O ATOM 614 CB ASP A 39 29.794 16.171 23.909 1.00 0.00 C ATOM 615 CG ASP A 39 28.810 15.792 25.011 1.00 0.00 C ATOM 616 OD1 ASP A 39 27.648 15.591 24.697 1.00 0.00 O ATOM 617 OD2 ASP A 39 29.233 15.708 26.153 1.00 0.00 O ATOM 0 H ASP A 39 31.235 17.352 22.258 1.00 0.00 H new ATOM 0 HA ASP A 39 28.467 17.611 23.007 1.00 0.00 H new ATOM 0 HB2 ASP A 39 29.731 15.454 23.091 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.814 16.130 24.291 1.00 0.00 H new ATOM 622 N GLN A 40 30.709 19.314 24.586 1.00 0.00 N ATOM 623 CA GLN A 40 30.932 20.299 25.645 1.00 0.00 C ATOM 624 C GLN A 40 30.715 21.715 25.125 1.00 0.00 C ATOM 625 O GLN A 40 30.689 22.670 25.908 1.00 0.00 O ATOM 626 CB GLN A 40 32.365 20.178 26.169 1.00 0.00 C ATOM 627 CG GLN A 40 32.510 18.890 26.981 1.00 0.00 C ATOM 628 CD GLN A 40 33.923 18.789 27.546 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.521 19.802 27.908 1.00 0.00 O ATOM 630 NE2 GLN A 40 34.495 17.620 27.645 1.00 0.00 N ATOM 0 H GLN A 40 31.466 19.248 23.905 1.00 0.00 H new ATOM 0 HA GLN A 40 30.220 20.103 26.447 1.00 0.00 H new ATOM 0 HB2 GLN A 40 33.068 20.175 25.336 1.00 0.00 H new ATOM 0 HB3 GLN A 40 32.610 21.040 26.790 1.00 0.00 H new ATOM 0 HG2 GLN A 40 31.783 18.878 27.793 1.00 0.00 H new ATOM 0 HG3 GLN A 40 32.299 18.026 26.350 1.00 0.00 H new ATOM 0 HE21 GLN A 40 33.998 16.782 27.344 1.00 0.00 H new ATOM 0 HE22 GLN A 40 35.439 17.545 28.023 1.00 0.00 H new ATOM 639 N GLN A 41 30.587 21.856 23.803 1.00 0.00 N ATOM 640 CA GLN A 41 30.403 23.174 23.188 1.00 0.00 C ATOM 641 C GLN A 41 29.044 23.300 22.509 1.00 0.00 C ATOM 642 O GLN A 41 28.527 22.345 21.929 1.00 0.00 O ATOM 643 CB GLN A 41 31.495 23.411 22.148 1.00 0.00 C ATOM 644 CG GLN A 41 32.863 23.426 22.829 1.00 0.00 C ATOM 645 CD GLN A 41 33.956 23.583 21.779 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.125 22.715 20.923 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.710 24.648 21.790 1.00 0.00 N ATOM 0 H GLN A 41 30.607 21.080 23.142 1.00 0.00 H new ATOM 0 HA GLN A 41 30.460 23.917 23.983 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.464 22.628 21.390 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.323 24.358 21.636 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.914 24.245 23.547 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.012 22.502 23.388 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.568 25.366 22.500 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.441 24.762 21.088 1.00 0.00 H new ATOM 656 N ARG A 42 28.494 24.511 22.571 1.00 0.00 N ATOM 657 CA ARG A 42 27.207 24.829 21.949 1.00 0.00 C ATOM 658 C ARG A 42 27.375 26.102 21.129 1.00 0.00 C ATOM 659 O ARG A 42 28.006 27.055 21.587 1.00 0.00 O ATOM 660 CB ARG A 42 26.130 25.032 23.024 1.00 0.00 C ATOM 661 CG ARG A 42 26.047 23.786 23.939 1.00 0.00 C ATOM 662 CD ARG A 42 24.583 23.481 24.284 1.00 0.00 C ATOM 663 NE ARG A 42 23.960 24.632 24.933 1.00 0.00 N ATOM 664 CZ ARG A 42 22.644 24.687 25.125 1.00 0.00 C ATOM 665 NH1 ARG A 42 22.110 25.729 25.702 1.00 0.00 N ATOM 666 NH2 ARG A 42 21.886 23.697 24.739 1.00 0.00 N ATOM 0 H ARG A 42 28.926 25.300 23.053 1.00 0.00 H new ATOM 0 HA ARG A 42 26.892 24.007 21.306 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.362 25.915 23.620 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.164 25.211 22.552 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.497 22.928 23.440 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.616 23.958 24.853 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.035 23.227 23.377 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.531 22.613 24.942 1.00 0.00 H new ATOM 0 HE ARG A 42 24.544 25.408 25.245 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.701 26.502 26.006 1.00 0.00 H new ATOM 0 HH12 ARG A 42 21.101 25.770 25.848 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.302 22.881 24.290 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.878 23.739 24.886 1.00 0.00 H new ATOM 680 N LEU A 43 26.827 26.123 19.914 1.00 0.00 N ATOM 681 CA LEU A 43 26.951 27.298 19.041 1.00 0.00 C ATOM 682 C LEU A 43 25.636 28.068 18.968 1.00 0.00 C ATOM 683 O LEU A 43 24.595 27.507 18.623 1.00 0.00 O ATOM 684 CB LEU A 43 27.355 26.845 17.629 1.00 0.00 C ATOM 685 CG LEU A 43 28.595 25.942 17.699 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.959 25.471 16.287 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.775 26.722 18.294 1.00 0.00 C ATOM 0 H LEU A 43 26.297 25.350 19.512 1.00 0.00 H new ATOM 0 HA LEU A 43 27.714 27.956 19.457 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.530 26.308 17.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.563 27.714 17.005 1.00 0.00 H new ATOM 0 HG LEU A 43 28.378 25.081 18.331 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.839 24.830 16.333 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.124 24.912 15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.173 26.336 15.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.652 26.076 18.341 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.994 27.586 17.666 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.519 27.059 19.298 1.00 0.00 H new ATOM 699 N ILE A 44 25.686 29.363 19.305 1.00 0.00 N ATOM 700 CA ILE A 44 24.490 30.217 19.284 1.00 0.00 C ATOM 701 C ILE A 44 24.681 31.421 18.359 1.00 0.00 C ATOM 702 O ILE A 44 25.736 32.059 18.343 1.00 0.00 O ATOM 703 CB ILE A 44 24.172 30.704 20.698 1.00 0.00 C ATOM 704 CG1 ILE A 44 23.853 29.486 21.585 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.970 31.648 20.664 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.151 28.765 21.979 1.00 0.00 C ATOM 0 H ILE A 44 26.539 29.842 19.595 1.00 0.00 H new ATOM 0 HA ILE A 44 23.660 29.621 18.904 1.00 0.00 H new ATOM 0 HB ILE A 44 25.030 31.241 21.103 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.321 29.808 22.480 1.00 0.00 H new ATOM 0 HG13 ILE A 44 23.195 28.800 21.052 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.748 31.991 21.674 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.199 32.506 20.031 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.105 31.121 20.262 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.914 27.906 22.606 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.667 28.427 21.080 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.795 29.450 22.531 1.00 0.00 H new ATOM 718 N PHE A 45 23.630 31.726 17.605 1.00 0.00 N ATOM 719 CA PHE A 45 23.626 32.858 16.672 1.00 0.00 C ATOM 720 C PHE A 45 22.230 33.474 16.654 1.00 0.00 C ATOM 721 O PHE A 45 21.236 32.752 16.680 1.00 0.00 O ATOM 722 CB PHE A 45 23.978 32.377 15.260 1.00 0.00 C ATOM 723 CG PHE A 45 23.898 33.530 14.280 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.007 34.364 14.086 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.713 33.768 13.570 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.936 35.424 13.172 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.643 34.828 12.657 1.00 0.00 C ATOM 728 CZ PHE A 45 23.751 35.660 12.464 1.00 0.00 C ATOM 0 H PHE A 45 22.757 31.200 17.620 1.00 0.00 H new ATOM 0 HA PHE A 45 24.363 33.594 16.993 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.982 31.952 15.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.294 31.584 14.957 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.917 34.190 14.641 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.853 33.134 13.727 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.795 36.059 13.014 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.733 35.003 12.102 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.692 36.484 11.769 1.00 0.00 H new ATOM 738 N ALA A 46 22.144 34.799 16.623 1.00 0.00 N ATOM 739 CA ALA A 46 20.836 35.442 16.619 1.00 0.00 C ATOM 740 C ALA A 46 19.994 34.874 17.757 1.00 0.00 C ATOM 741 O ALA A 46 18.790 34.651 17.620 1.00 0.00 O ATOM 742 CB ALA A 46 20.135 35.211 15.276 1.00 0.00 C ATOM 0 H ALA A 46 22.941 35.435 16.601 1.00 0.00 H new ATOM 0 HA ALA A 46 20.961 36.515 16.761 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.159 35.697 15.287 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.740 35.631 14.473 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.006 34.141 15.112 1.00 0.00 H new ATOM 748 N GLY A 47 20.662 34.659 18.887 1.00 0.00 N ATOM 749 CA GLY A 47 20.025 34.139 20.092 1.00 0.00 C ATOM 750 C GLY A 47 19.444 32.734 19.918 1.00 0.00 C ATOM 751 O GLY A 47 18.703 32.269 20.783 1.00 0.00 O ATOM 0 H GLY A 47 21.660 34.841 18.993 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.755 34.124 20.902 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.228 34.818 20.394 1.00 0.00 H new ATOM 755 N LYS A 48 19.773 32.051 18.815 1.00 0.00 N ATOM 756 CA LYS A 48 19.248 30.687 18.579 1.00 0.00 C ATOM 757 C LYS A 48 20.370 29.658 18.466 1.00 0.00 C ATOM 758 O LYS A 48 21.418 29.920 17.875 1.00 0.00 O ATOM 759 CB LYS A 48 18.423 30.640 17.295 1.00 0.00 C ATOM 760 CG LYS A 48 17.158 31.483 17.451 1.00 0.00 C ATOM 761 CD LYS A 48 16.373 31.432 16.139 1.00 0.00 C ATOM 762 CE LYS A 48 15.101 32.273 16.261 1.00 0.00 C ATOM 763 NZ LYS A 48 14.147 31.597 17.184 1.00 0.00 N ATOM 0 H LYS A 48 20.387 32.405 18.081 1.00 0.00 H new ATOM 0 HA LYS A 48 18.624 30.441 19.438 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.016 31.011 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.156 29.609 17.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.549 31.103 18.271 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.417 32.513 17.697 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.989 31.806 15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.116 30.400 15.899 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.344 33.267 16.636 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.644 32.405 15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.202 32.018 17.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.103 30.583 16.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.469 31.717 18.165 1.00 0.00 H new ATOM 777 N GLN A 49 20.119 28.472 19.023 1.00 0.00 N ATOM 778 CA GLN A 49 21.079 27.386 18.980 1.00 0.00 C ATOM 779 C GLN A 49 20.977 26.654 17.645 1.00 0.00 C ATOM 780 O GLN A 49 19.882 26.311 17.202 1.00 0.00 O ATOM 781 CB GLN A 49 20.797 26.409 20.127 1.00 0.00 C ATOM 782 CG GLN A 49 21.926 25.381 20.222 1.00 0.00 C ATOM 783 CD GLN A 49 21.508 24.228 21.130 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.024 24.092 22.240 1.00 0.00 O ATOM 785 NE2 GLN A 49 20.599 23.385 20.722 1.00 0.00 N ATOM 0 H GLN A 49 19.252 28.246 19.510 1.00 0.00 H new ATOM 0 HA GLN A 49 22.085 27.792 19.087 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.709 26.953 21.067 1.00 0.00 H new ATOM 0 HB3 GLN A 49 19.846 25.904 19.961 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.169 25.003 19.229 1.00 0.00 H new ATOM 0 HG3 GLN A 49 22.827 25.854 20.612 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.173 23.500 19.802 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.314 22.611 21.323 1.00 0.00 H new ATOM 794 N LEU A 50 22.117 26.426 17.004 1.00 0.00 N ATOM 795 CA LEU A 50 22.126 25.739 15.714 1.00 0.00 C ATOM 796 C LEU A 50 21.827 24.246 15.886 1.00 0.00 C ATOM 797 O LEU A 50 22.477 23.556 16.671 1.00 0.00 O ATOM 798 CB LEU A 50 23.483 25.926 15.031 1.00 0.00 C ATOM 799 CG LEU A 50 23.947 27.376 15.208 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.242 27.599 14.427 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.867 28.331 14.688 1.00 0.00 C ATOM 0 H LEU A 50 23.037 26.702 17.349 1.00 0.00 H new ATOM 0 HA LEU A 50 21.346 26.174 15.089 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.216 25.243 15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.405 25.684 13.971 1.00 0.00 H new ATOM 0 HG LEU A 50 24.123 27.570 16.266 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.570 28.631 14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.013 26.924 14.800 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.068 27.401 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.200 29.361 14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.687 28.136 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.944 28.176 15.248 1.00 0.00 H new ATOM 813 N GLU A 51 20.823 23.767 15.146 1.00 0.00 N ATOM 814 CA GLU A 51 20.418 22.362 15.212 1.00 0.00 C ATOM 815 C GLU A 51 21.320 21.480 14.353 1.00 0.00 C ATOM 816 O GLU A 51 21.738 21.856 13.253 1.00 0.00 O ATOM 817 CB GLU A 51 18.966 22.215 14.739 1.00 0.00 C ATOM 818 CG GLU A 51 18.014 22.585 15.877 1.00 0.00 C ATOM 819 CD GLU A 51 16.568 22.365 15.443 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.334 21.449 14.671 1.00 0.00 O ATOM 821 OE2 GLU A 51 15.715 23.116 15.888 1.00 0.00 O ATOM 0 H GLU A 51 20.277 24.332 14.495 1.00 0.00 H new ATOM 0 HA GLU A 51 20.507 22.038 16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.787 22.859 13.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.781 21.191 14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.234 21.980 16.757 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.162 23.627 16.161 1.00 0.00 H new ATOM 828 N ASP A 52 21.594 20.289 14.865 1.00 0.00 N ATOM 829 CA ASP A 52 22.429 19.338 14.160 1.00 0.00 C ATOM 830 C ASP A 52 21.750 18.859 12.882 1.00 0.00 C ATOM 831 O ASP A 52 20.559 18.547 12.881 1.00 0.00 O ATOM 832 CB ASP A 52 22.724 18.140 15.066 1.00 0.00 C ATOM 833 CG ASP A 52 23.484 18.597 16.307 1.00 0.00 C ATOM 834 OD1 ASP A 52 22.913 19.342 17.087 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.627 18.197 16.459 1.00 0.00 O ATOM 0 H ASP A 52 21.248 19.962 15.767 1.00 0.00 H new ATOM 0 HA ASP A 52 23.362 19.833 13.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.792 17.657 15.358 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.311 17.399 14.523 1.00 0.00 H new ATOM 840 N GLY A 53 22.519 18.786 11.795 1.00 0.00 N ATOM 841 CA GLY A 53 21.986 18.325 10.512 1.00 0.00 C ATOM 842 C GLY A 53 21.559 19.487 9.618 1.00 0.00 C ATOM 843 O GLY A 53 21.238 19.285 8.446 1.00 0.00 O ATOM 0 H GLY A 53 23.507 19.038 11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.742 17.731 9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.132 17.671 10.688 1.00 0.00 H new ATOM 847 N ARG A 54 21.571 20.707 10.156 1.00 0.00 N ATOM 848 CA ARG A 54 21.194 21.884 9.360 1.00 0.00 C ATOM 849 C ARG A 54 22.430 22.550 8.753 1.00 0.00 C ATOM 850 O ARG A 54 23.537 22.418 9.273 1.00 0.00 O ATOM 851 CB ARG A 54 20.452 22.899 10.234 1.00 0.00 C ATOM 852 CG ARG A 54 19.162 22.271 10.767 1.00 0.00 C ATOM 853 CD ARG A 54 18.227 23.373 11.270 1.00 0.00 C ATOM 854 NE ARG A 54 17.663 24.109 10.143 1.00 0.00 N ATOM 855 CZ ARG A 54 16.754 25.059 10.333 1.00 0.00 C ATOM 856 NH1 ARG A 54 16.234 25.680 9.310 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.388 25.377 11.544 1.00 0.00 N ATOM 0 H ARG A 54 21.832 20.909 11.121 1.00 0.00 H new ATOM 0 HA ARG A 54 20.541 21.549 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.086 23.212 11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.221 23.793 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.673 21.696 9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.390 21.576 11.575 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.426 22.936 11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.774 24.054 11.922 1.00 0.00 H new ATOM 0 HE ARG A 54 17.971 23.891 9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.525 25.436 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.536 26.409 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.800 24.896 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.690 26.106 11.691 1.00 0.00 H new ATOM 871 N THR A 55 22.228 23.273 7.651 1.00 0.00 N ATOM 872 CA THR A 55 23.326 23.976 6.977 1.00 0.00 C ATOM 873 C THR A 55 23.315 25.447 7.377 1.00 0.00 C ATOM 874 O THR A 55 22.310 25.945 7.882 1.00 0.00 O ATOM 875 CB THR A 55 23.160 23.864 5.457 1.00 0.00 C ATOM 876 OG1 THR A 55 21.886 24.370 5.084 1.00 0.00 O ATOM 877 CG2 THR A 55 23.274 22.397 5.032 1.00 0.00 C ATOM 0 H THR A 55 21.318 23.389 7.205 1.00 0.00 H new ATOM 0 HA THR A 55 24.273 23.523 7.273 1.00 0.00 H new ATOM 0 HB THR A 55 23.941 24.442 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.999 25.085 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.156 22.321 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.252 22.010 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.495 21.814 5.524 1.00 0.00 H new ATOM 885 N LEU A 56 24.421 26.150 7.151 1.00 0.00 N ATOM 886 CA LEU A 56 24.473 27.564 7.507 1.00 0.00 C ATOM 887 C LEU A 56 23.396 28.335 6.734 1.00 0.00 C ATOM 888 O LEU A 56 22.760 29.228 7.290 1.00 0.00 O ATOM 889 CB LEU A 56 25.879 28.158 7.228 1.00 0.00 C ATOM 890 CG LEU A 56 26.774 28.051 8.479 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.122 26.581 8.744 1.00 0.00 C ATOM 892 CD2 LEU A 56 28.066 28.850 8.255 1.00 0.00 C ATOM 0 H LEU A 56 25.273 25.776 6.734 1.00 0.00 H new ATOM 0 HA LEU A 56 24.279 27.660 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.344 27.629 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.785 29.202 6.930 1.00 0.00 H new ATOM 0 HG LEU A 56 26.239 28.455 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.755 26.511 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.206 26.014 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.654 26.172 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.699 28.774 9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.598 28.448 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.820 29.896 8.073 1.00 0.00 H new ATOM 904 N SER A 57 23.201 28.001 5.452 1.00 0.00 N ATOM 905 CA SER A 57 22.201 28.695 4.644 1.00 0.00 C ATOM 906 C SER A 57 20.889 28.799 5.399 1.00 0.00 C ATOM 907 O SER A 57 20.179 29.802 5.297 1.00 0.00 O ATOM 908 CB SER A 57 21.970 27.953 3.326 1.00 0.00 C ATOM 909 OG SER A 57 21.651 26.596 3.603 1.00 0.00 O ATOM 0 H SER A 57 23.714 27.268 4.963 1.00 0.00 H new ATOM 0 HA SER A 57 22.573 29.697 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.160 28.423 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.862 28.009 2.702 1.00 0.00 H new ATOM 0 HG SER A 57 21.501 26.117 2.761 1.00 0.00 H new ATOM 915 N ASP A 58 20.574 27.767 6.171 1.00 0.00 N ATOM 916 CA ASP A 58 19.345 27.766 6.953 1.00 0.00 C ATOM 917 C ASP A 58 19.335 28.989 7.860 1.00 0.00 C ATOM 918 O ASP A 58 18.338 29.705 7.955 1.00 0.00 O ATOM 919 CB ASP A 58 19.263 26.492 7.801 1.00 0.00 C ATOM 920 CG ASP A 58 19.293 25.257 6.904 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.929 25.380 5.746 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.682 24.206 7.388 1.00 0.00 O ATOM 0 H ASP A 58 21.146 26.928 6.272 1.00 0.00 H new ATOM 0 HA ASP A 58 18.486 27.796 6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.096 26.460 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.347 26.499 8.392 1.00 0.00 H new ATOM 927 N TYR A 59 20.473 29.221 8.510 1.00 0.00 N ATOM 928 CA TYR A 59 20.649 30.361 9.412 1.00 0.00 C ATOM 929 C TYR A 59 21.397 31.479 8.686 1.00 0.00 C ATOM 930 O TYR A 59 22.600 31.371 8.505 1.00 0.00 O ATOM 931 CB TYR A 59 21.479 29.916 10.616 1.00 0.00 C ATOM 932 CG TYR A 59 20.739 28.847 11.385 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.081 27.496 11.226 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.713 29.209 12.263 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.394 26.511 11.946 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.026 28.224 12.982 1.00 0.00 C ATOM 937 CZ TYR A 59 19.366 26.875 12.824 1.00 0.00 C ATOM 938 OH TYR A 59 18.689 25.905 13.534 1.00 0.00 O ATOM 0 H TYR A 59 21.298 28.627 8.428 1.00 0.00 H new ATOM 0 HA TYR A 59 19.673 30.723 9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.444 29.534 10.282 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.681 30.769 11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.874 27.216 10.548 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.450 30.249 12.387 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.657 25.471 11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.233 28.505 13.659 1.00 0.00 H new ATOM 0 HH TYR A 59 18.008 26.328 14.098 1.00 0.00 H new ATOM 948 N ASN A 60 20.668 32.505 8.222 1.00 0.00 N ATOM 949 CA ASN A 60 21.266 33.617 7.452 1.00 0.00 C ATOM 950 C ASN A 60 22.549 34.191 8.081 1.00 0.00 C ATOM 951 O ASN A 60 22.595 35.359 8.469 1.00 0.00 O ATOM 952 CB ASN A 60 20.241 34.746 7.278 1.00 0.00 C ATOM 953 CG ASN A 60 20.831 35.868 6.422 1.00 0.00 C ATOM 954 OD1 ASN A 60 20.954 35.724 5.205 1.00 0.00 O ATOM 955 ND2 ASN A 60 21.202 36.985 6.989 1.00 0.00 N ATOM 0 H ASN A 60 19.662 32.592 8.364 1.00 0.00 H new ATOM 0 HA ASN A 60 21.549 33.196 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.337 34.357 6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.951 35.137 8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.594 37.738 6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.100 37.104 7.997 1.00 0.00 H new ATOM 962 N ILE A 61 23.586 33.361 8.146 1.00 0.00 N ATOM 963 CA ILE A 61 24.890 33.754 8.683 1.00 0.00 C ATOM 964 C ILE A 61 25.821 34.098 7.516 1.00 0.00 C ATOM 965 O ILE A 61 26.381 33.201 6.891 1.00 0.00 O ATOM 966 CB ILE A 61 25.498 32.584 9.466 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.660 32.292 10.713 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.931 32.927 9.886 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.111 30.958 11.318 1.00 0.00 C ATOM 0 H ILE A 61 23.548 32.393 7.827 1.00 0.00 H new ATOM 0 HA ILE A 61 24.769 34.614 9.342 1.00 0.00 H new ATOM 0 HB ILE A 61 25.508 31.702 8.825 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.777 33.094 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.602 32.249 10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.357 32.092 10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.534 33.118 8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.922 33.816 10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.518 30.743 12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.971 30.161 10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.165 31.020 11.590 1.00 0.00 H new ATOM 981 N GLN A 62 25.965 35.385 7.199 1.00 0.00 N ATOM 982 CA GLN A 62 26.814 35.783 6.073 1.00 0.00 C ATOM 983 C GLN A 62 28.287 35.848 6.456 1.00 0.00 C ATOM 984 O GLN A 62 28.655 35.673 7.618 1.00 0.00 O ATOM 985 CB GLN A 62 26.375 37.139 5.525 1.00 0.00 C ATOM 986 CG GLN A 62 24.979 37.016 4.916 1.00 0.00 C ATOM 987 CD GLN A 62 23.968 36.664 6.000 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.485 35.534 6.055 1.00 0.00 O ATOM 989 NE2 GLN A 62 23.620 37.570 6.871 1.00 0.00 N ATOM 0 H GLN A 62 25.516 36.156 7.693 1.00 0.00 H new ATOM 0 HA GLN A 62 26.698 35.018 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 62 26.371 37.881 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 62 27.083 37.485 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.699 37.954 4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.977 36.249 4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 62 24.023 38.506 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.945 37.343 7.601 1.00 0.00 H new ATOM 998 N LYS A 63 29.120 36.081 5.445 1.00 0.00 N ATOM 999 CA LYS A 63 30.562 36.146 5.646 1.00 0.00 C ATOM 1000 C LYS A 63 30.953 37.252 6.622 1.00 0.00 C ATOM 1001 O LYS A 63 30.324 38.309 6.687 1.00 0.00 O ATOM 1002 CB LYS A 63 31.289 36.339 4.306 1.00 0.00 C ATOM 1003 CG LYS A 63 31.069 37.748 3.745 1.00 0.00 C ATOM 1004 CD LYS A 63 31.580 37.781 2.297 1.00 0.00 C ATOM 1005 CE LYS A 63 31.318 39.154 1.676 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.787 39.155 0.259 1.00 0.00 N ATOM 0 H LYS A 63 28.821 36.227 4.481 1.00 0.00 H new ATOM 0 HA LYS A 63 30.869 35.196 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.356 36.163 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.932 35.601 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.011 38.009 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.598 38.484 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.647 37.562 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.084 37.008 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.254 39.388 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.837 39.927 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.610 40.088 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.806 38.950 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.272 38.428 -0.277 1.00 0.00 H new ATOM 1020 N GLU A 64 32.018 36.979 7.371 1.00 0.00 N ATOM 1021 CA GLU A 64 32.548 37.918 8.353 1.00 0.00 C ATOM 1022 C GLU A 64 31.499 38.318 9.393 1.00 0.00 C ATOM 1023 O GLU A 64 31.071 39.471 9.443 1.00 0.00 O ATOM 1024 CB GLU A 64 33.098 39.155 7.645 1.00 0.00 C ATOM 1025 CG GLU A 64 34.225 38.721 6.704 1.00 0.00 C ATOM 1026 CD GLU A 64 34.828 39.934 6.006 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.777 41.009 6.578 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.333 39.768 4.908 1.00 0.00 O ATOM 0 H GLU A 64 32.536 36.102 7.314 1.00 0.00 H new ATOM 0 HA GLU A 64 33.355 37.418 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 64 32.307 39.652 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.471 39.874 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.997 38.196 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.840 38.021 5.963 1.00 0.00 H new ATOM 1049 N THR A 66 30.226 37.477 13.770 1.00 0.00 N ATOM 1050 CA THR A 66 30.725 36.963 15.052 1.00 0.00 C ATOM 1051 C THR A 66 29.788 35.883 15.595 1.00 0.00 C ATOM 1052 O THR A 66 28.613 36.138 15.865 1.00 0.00 O ATOM 1053 CB THR A 66 30.842 38.097 16.065 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.601 39.154 15.496 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.544 37.584 17.325 1.00 0.00 C ATOM 0 HA THR A 66 31.710 36.527 14.887 1.00 0.00 H new ATOM 0 HB THR A 66 29.848 38.460 16.327 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.519 39.127 14.520 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.628 38.394 18.050 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.965 36.768 17.758 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.540 37.224 17.066 1.00 0.00 H new ATOM 1063 N LEU A 67 30.329 34.675 15.767 1.00 0.00 N ATOM 1064 CA LEU A 67 29.557 33.545 16.289 1.00 0.00 C ATOM 1065 C LEU A 67 29.787 33.409 17.787 1.00 0.00 C ATOM 1066 O LEU A 67 30.897 33.650 18.268 1.00 0.00 O ATOM 1067 CB LEU A 67 29.990 32.251 15.572 1.00 0.00 C ATOM 1068 CG LEU A 67 29.111 31.072 16.026 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.647 31.308 15.596 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.638 29.775 15.389 1.00 0.00 C ATOM 0 H LEU A 67 31.301 34.454 15.552 1.00 0.00 H new ATOM 0 HA LEU A 67 28.496 33.719 16.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.909 32.380 14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.037 32.039 15.790 1.00 0.00 H new ATOM 0 HG LEU A 67 29.149 30.989 17.112 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.032 30.469 15.921 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.277 32.227 16.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.596 31.396 14.511 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.019 28.936 15.707 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.601 29.862 14.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.668 29.607 15.705 1.00 0.00 H new ATOM 1082 N HIS A 68 28.751 33.020 18.537 1.00 0.00 N ATOM 1083 CA HIS A 68 28.890 32.862 19.984 1.00 0.00 C ATOM 1084 C HIS A 68 29.193 31.402 20.333 1.00 0.00 C ATOM 1085 O HIS A 68 28.395 30.511 20.036 1.00 0.00 O ATOM 1086 CB HIS A 68 27.598 33.297 20.681 1.00 0.00 C ATOM 1087 CG HIS A 68 27.282 34.723 20.312 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.377 35.764 21.223 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.870 35.295 19.133 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.030 36.897 20.584 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.712 36.667 19.307 1.00 0.00 N ATOM 0 H HIS A 68 27.822 32.812 18.171 1.00 0.00 H new ATOM 0 HA HIS A 68 29.715 33.487 20.325 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.776 32.644 20.387 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.707 33.206 21.762 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.695 34.761 18.211 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.011 37.873 21.047 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.417 37.350 18.609 1.00 0.00 H new ATOM 1100 N LEU A 69 30.345 31.154 20.972 1.00 0.00 N ATOM 1101 CA LEU A 69 30.735 29.813 21.358 1.00 0.00 C ATOM 1102 C LEU A 69 30.620 29.692 22.863 1.00 0.00 C ATOM 1103 O LEU A 69 31.419 30.249 23.616 1.00 0.00 O ATOM 1104 CB LEU A 69 32.173 29.547 20.908 1.00 0.00 C ATOM 1105 CG LEU A 69 32.487 28.033 20.988 1.00 0.00 C ATOM 1106 CD1 LEU A 69 33.857 27.761 20.357 1.00 0.00 C ATOM 1107 CD2 LEU A 69 32.503 27.569 22.455 1.00 0.00 C ATOM 0 H LEU A 69 31.018 31.876 21.228 1.00 0.00 H new ATOM 0 HA LEU A 69 30.084 29.078 20.884 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.314 29.902 19.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.868 30.104 21.537 1.00 0.00 H new ATOM 0 HG LEU A 69 31.715 27.484 20.449 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.078 26.695 20.413 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.846 28.075 19.313 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.623 28.319 20.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.725 26.503 22.497 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.267 28.121 23.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.528 27.755 22.906 1.00 0.00 H new ATOM 1119 N VAL A 70 29.611 28.956 23.284 1.00 0.00 N ATOM 1120 CA VAL A 70 29.352 28.729 24.701 1.00 0.00 C ATOM 1121 C VAL A 70 29.803 27.329 25.088 1.00 0.00 C ATOM 1122 O VAL A 70 29.620 26.376 24.330 1.00 0.00 O ATOM 1123 CB VAL A 70 27.857 28.892 24.979 1.00 0.00 C ATOM 1124 CG1 VAL A 70 27.579 28.663 26.465 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.423 30.311 24.595 1.00 0.00 C ATOM 0 H VAL A 70 28.947 28.498 22.660 1.00 0.00 H new ATOM 0 HA VAL A 70 29.908 29.456 25.293 1.00 0.00 H new ATOM 0 HB VAL A 70 27.299 28.163 24.391 1.00 0.00 H new ATOM 0 HG11 VAL A 70 26.513 28.780 26.658 1.00 0.00 H new ATOM 0 HG12 VAL A 70 27.889 27.656 26.742 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.137 29.390 27.056 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.358 30.431 24.792 1.00 0.00 H new ATOM 0 HG22 VAL A 70 27.985 31.035 25.185 1.00 0.00 H new ATOM 0 HG23 VAL A 70 27.617 30.477 23.535 1.00 0.00 H new