USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -124:sc= 0.969 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.05 K(o=2,f=0.47) USER MOD Single : A 1 MET CE :methyl -115:sc=-1.85e-05 (180deg=-1.43!) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.4 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.844 (180deg=0.474) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.121 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.794 (180deg=0.0043) USER MOD Single : A 40 GLN : amide:sc= -0.0348 K(o=-0.035,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= 0.0806 K(o=0.081,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 57 SER OG : rot 66:sc= 0.966 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.517 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 1.21 (180deg=-0.58) USER MOD Single : A 65 SER OG : rot -115:sc= 0.0943 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.101 -7.350 -5.318 1.00 9.67 N ATOM 2 CA MET A 1 11.131 -7.225 -3.819 1.00 10.38 C ATOM 3 C MET A 1 9.832 -7.553 -3.197 1.00 9.62 C ATOM 4 O MET A 1 8.827 -6.966 -3.593 1.00 9.62 O ATOM 5 CB MET A 1 11.374 -5.750 -3.435 1.00 13.77 C ATOM 6 CG MET A 1 11.843 -5.489 -2.003 1.00 16.29 C ATOM 7 SD MET A 1 12.348 -3.816 -1.673 1.00 17.17 S ATOM 8 CE MET A 1 10.675 -3.057 -1.520 1.00 16.11 C ATOM 0 H1 MET A 1 12.067 -7.260 -5.693 1.00 9.67 H new ATOM 0 H2 MET A 1 10.713 -8.278 -5.581 1.00 9.67 H new ATOM 0 H3 MET A 1 10.503 -6.599 -5.717 1.00 9.67 H new ATOM 0 HA MET A 1 11.909 -7.907 -3.477 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.116 -5.337 -4.118 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.448 -5.198 -3.598 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.036 -5.751 -1.319 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.677 -6.155 -1.782 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.526 -2.340 -2.327 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.915 -3.836 -1.581 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.594 -2.546 -0.561 1.00 16.11 H new ATOM 20 N GLN A 2 9.759 -8.625 -2.417 1.00 9.27 N ATOM 21 CA GLN A 2 8.614 -8.943 -1.591 1.00 9.07 C ATOM 22 C GLN A 2 8.230 -7.986 -0.482 1.00 8.72 C ATOM 23 O GLN A 2 9.089 -7.554 0.266 1.00 8.22 O ATOM 24 CB GLN A 2 8.796 -10.374 -1.018 1.00 14.46 C ATOM 25 CG GLN A 2 7.489 -10.890 -0.373 1.00 17.01 C ATOM 26 CD GLN A 2 7.469 -12.369 -0.186 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.833 -12.824 0.907 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.158 -13.136 -1.262 1.00 19.49 N ATOM 0 H GLN A 2 10.513 -9.308 -2.344 1.00 9.27 H new ATOM 0 HA GLN A 2 7.770 -8.852 -2.275 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.103 -11.051 -1.815 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.595 -10.372 -0.276 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.354 -10.406 0.594 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.644 -10.598 -0.997 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.865 -12.696 -2.134 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.218 -14.152 -1.198 1.00 19.49 H new ATOM 37 N ILE A 3 6.885 -7.707 -0.363 1.00 5.87 N ATOM 38 CA ILE A 3 6.394 -7.002 0.801 1.00 5.07 C ATOM 39 C ILE A 3 5.107 -7.701 1.121 1.00 4.01 C ATOM 40 O ILE A 3 4.515 -8.423 0.306 1.00 4.61 O ATOM 41 CB ILE A 3 6.154 -5.521 0.591 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.339 -5.110 -0.677 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.511 -4.859 0.760 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.761 -3.687 -0.732 1.00 10.83 C ATOM 0 H ILE A 3 6.174 -7.962 -1.048 1.00 5.87 H new ATOM 0 HA ILE A 3 7.135 -7.028 1.600 1.00 5.07 H new ATOM 0 HB ILE A 3 5.450 -5.151 1.337 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.984 -5.243 -1.546 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.511 -5.811 -0.784 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.411 -3.783 0.621 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.892 -5.061 1.761 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.205 -5.257 0.020 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.222 -3.549 -1.670 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.078 -3.539 0.104 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.573 -2.962 -0.670 1.00 10.83 H new ATOM 56 N PHE A 4 4.535 -7.349 2.357 1.00 4.55 N ATOM 57 CA PHE A 4 3.250 -7.865 2.781 1.00 4.68 C ATOM 58 C PHE A 4 2.324 -6.688 2.948 1.00 5.30 C ATOM 59 O PHE A 4 2.744 -5.585 3.351 1.00 5.58 O ATOM 60 CB PHE A 4 3.277 -8.649 4.117 1.00 4.83 C ATOM 61 CG PHE A 4 4.320 -9.716 4.044 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.067 -10.818 3.163 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.581 -9.598 4.639 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.054 -11.733 2.853 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.566 -10.550 4.389 1.00 10.61 C ATOM 66 CZ PHE A 4 6.288 -11.618 3.544 1.00 8.90 C ATOM 0 H PHE A 4 4.976 -6.719 3.027 1.00 4.55 H new ATOM 0 HA PHE A 4 2.925 -8.573 2.018 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.490 -7.972 4.944 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.300 -9.092 4.311 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.084 -10.935 2.732 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.791 -8.766 5.294 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.893 -12.505 2.115 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.539 -10.459 4.848 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.036 -12.385 3.409 1.00 8.90 H new ATOM 76 N VAL A 5 0.989 -6.839 2.749 1.00 4.44 N ATOM 77 CA VAL A 5 -0.042 -5.851 2.987 1.00 3.87 C ATOM 78 C VAL A 5 -1.188 -6.381 3.773 1.00 4.93 C ATOM 79 O VAL A 5 -1.786 -7.425 3.415 1.00 6.84 O ATOM 80 CB VAL A 5 -0.632 -5.296 1.660 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.650 -4.177 2.048 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.537 -4.843 0.723 1.00 9.13 C ATOM 0 H VAL A 5 0.603 -7.715 2.396 1.00 4.44 H new ATOM 0 HA VAL A 5 0.462 -5.066 3.551 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.177 -6.042 1.082 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.091 -3.757 1.144 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.437 -4.601 2.672 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.134 -3.391 2.599 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.126 -4.453 -0.209 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.118 -4.065 1.217 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.181 -5.695 0.507 1.00 9.13 H new ATOM 92 N LYS A 6 -1.468 -5.765 4.941 1.00 6.04 N ATOM 93 CA LYS A 6 -2.467 -6.316 5.873 1.00 6.12 C ATOM 94 C LYS A 6 -3.630 -5.376 6.143 1.00 6.57 C ATOM 95 O LYS A 6 -3.419 -4.177 6.276 1.00 5.76 O ATOM 96 CB LYS A 6 -1.788 -6.795 7.222 1.00 7.45 C ATOM 97 CG LYS A 6 -1.398 -5.590 8.160 1.00 11.12 C ATOM 98 CD LYS A 6 -0.768 -6.258 9.405 1.00 14.54 C ATOM 99 CE LYS A 6 -1.802 -6.928 10.317 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.079 -7.706 11.368 1.00 20.55 N ATOM 0 H LYS A 6 -1.024 -4.902 5.255 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.897 -7.185 5.374 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.470 -7.459 7.753 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.895 -7.375 6.990 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.693 -4.918 7.671 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.272 -4.996 8.427 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.041 -7.003 9.081 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.222 -5.507 9.976 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.444 -6.177 10.777 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.448 -7.586 9.736 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.769 -8.167 11.995 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.484 -8.430 10.917 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.480 -7.064 11.925 1.00 20.55 H new ATOM 114 N THR A 7 -4.852 -5.879 6.106 1.00 7.41 N ATOM 115 CA THR A 7 -6.049 -5.109 6.304 1.00 7.48 C ATOM 116 C THR A 7 -6.426 -4.908 7.741 1.00 8.75 C ATOM 117 O THR A 7 -6.261 -5.840 8.563 1.00 8.58 O ATOM 118 CB THR A 7 -7.299 -5.427 5.424 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.816 -6.716 5.638 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.964 -5.335 3.900 1.00 9.17 C ATOM 0 H THR A 7 -5.035 -6.867 5.931 1.00 7.41 H new ATOM 0 HA THR A 7 -5.705 -4.157 5.900 1.00 7.48 H new ATOM 0 HB THR A 7 -8.036 -4.681 5.719 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.596 -6.855 5.062 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.856 -5.562 3.317 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.622 -4.327 3.663 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.179 -6.051 3.656 1.00 9.17 H new ATOM 128 N LEU A 8 -6.920 -3.705 8.175 1.00 9.84 N ATOM 129 CA LEU A 8 -7.304 -3.312 9.551 1.00 14.15 C ATOM 130 C LEU A 8 -8.276 -4.272 10.208 1.00 17.37 C ATOM 131 O LEU A 8 -8.203 -4.648 11.393 1.00 17.01 O ATOM 132 CB LEU A 8 -7.846 -1.869 9.382 1.00 16.63 C ATOM 133 CG LEU A 8 -8.558 -1.124 10.477 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.696 -0.788 11.678 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.097 0.210 9.899 1.00 18.59 C ATOM 0 H LEU A 8 -7.066 -2.939 7.518 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.464 -3.349 10.245 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -6.996 -1.252 9.092 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.527 -1.893 8.532 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.346 -1.790 10.828 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.293 -0.252 12.416 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.313 -1.708 12.120 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.861 -0.162 11.363 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.617 0.762 10.682 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.265 0.807 9.525 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.789 -0.000 9.083 1.00 18.59 H new ATOM 147 N THR A 9 -9.294 -4.650 9.378 1.00 18.33 N ATOM 148 CA THR A 9 -10.370 -5.601 9.794 1.00 19.24 C ATOM 149 C THR A 9 -9.894 -6.972 9.953 1.00 19.48 C ATOM 150 O THR A 9 -10.301 -7.612 10.899 1.00 23.14 O ATOM 151 CB THR A 9 -11.579 -5.544 8.878 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.310 -6.005 7.500 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.030 -4.071 8.673 1.00 19.70 C ATOM 0 H THR A 9 -9.391 -4.312 8.421 1.00 18.33 H new ATOM 0 HA THR A 9 -10.688 -5.262 10.780 1.00 19.24 H new ATOM 0 HB THR A 9 -12.313 -6.182 9.370 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.131 -5.943 6.968 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.898 -4.045 8.014 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.292 -3.633 9.636 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.217 -3.500 8.225 1.00 19.70 H new ATOM 161 N GLY A 10 -8.986 -7.471 9.114 1.00 19.43 N ATOM 162 CA GLY A 10 -8.435 -8.823 9.252 1.00 18.74 C ATOM 163 C GLY A 10 -8.225 -9.458 7.893 1.00 17.62 C ATOM 164 O GLY A 10 -9.169 -9.855 7.212 1.00 19.74 O ATOM 0 H GLY A 10 -8.611 -6.952 8.320 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.488 -8.782 9.790 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.112 -9.438 9.845 1.00 18.74 H new ATOM 168 N LYS A 11 -6.933 -9.614 7.468 1.00 13.56 N ATOM 169 CA LYS A 11 -6.491 -10.321 6.281 1.00 11.91 C ATOM 170 C LYS A 11 -5.090 -9.843 5.868 1.00 10.18 C ATOM 171 O LYS A 11 -4.760 -8.638 5.864 1.00 9.10 O ATOM 172 CB LYS A 11 -7.356 -10.160 4.965 1.00 13.43 C ATOM 173 CG LYS A 11 -6.875 -10.931 3.748 1.00 16.69 C ATOM 174 CD LYS A 11 -7.920 -10.931 2.580 1.00 17.92 C ATOM 175 CE LYS A 11 -7.541 -11.920 1.529 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.553 -12.046 0.518 1.00 21.93 N ATOM 0 H LYS A 11 -6.151 -9.219 7.991 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.561 -11.359 6.606 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.377 -10.471 5.186 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.394 -9.102 4.707 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.940 -10.496 3.394 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.659 -11.960 4.037 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.909 -11.170 2.971 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.983 -9.935 2.142 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.602 -11.615 1.066 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.368 -12.892 1.991 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.208 -12.664 -0.244 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.412 -12.458 0.936 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.773 -11.107 0.129 1.00 21.93 H new ATOM 190 N THR A 12 -4.182 -10.756 5.466 1.00 9.63 N ATOM 191 CA THR A 12 -2.806 -10.408 5.096 1.00 9.85 C ATOM 192 C THR A 12 -2.454 -11.021 3.690 1.00 11.66 C ATOM 193 O THR A 12 -2.669 -12.223 3.476 1.00 12.33 O ATOM 194 CB THR A 12 -1.769 -11.028 5.992 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.079 -10.766 7.365 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.299 -10.576 5.724 1.00 9.63 C ATOM 0 H THR A 12 -4.387 -11.752 5.391 1.00 9.63 H new ATOM 0 HA THR A 12 -2.780 -9.319 5.144 1.00 9.85 H new ATOM 0 HB THR A 12 -1.812 -12.092 5.761 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.398 -11.176 7.938 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.370 -11.080 6.422 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.019 -10.835 4.703 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.219 -9.497 5.860 1.00 9.63 H new ATOM 204 N ILE A 13 -1.936 -10.146 2.747 1.00 10.42 N ATOM 205 CA ILE A 13 -1.622 -10.574 1.364 1.00 11.84 C ATOM 206 C ILE A 13 -0.170 -10.241 1.195 1.00 10.55 C ATOM 207 O ILE A 13 0.432 -9.445 1.890 1.00 11.92 O ATOM 208 CB ILE A 13 -2.430 -9.963 0.226 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.117 -8.441 0.051 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.923 -10.143 0.579 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.108 -7.694 -0.804 1.00 16.46 C ATOM 0 H ILE A 13 -1.738 -9.163 2.935 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.884 -11.629 1.279 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.174 -10.458 -0.711 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.081 -7.975 1.036 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.125 -8.335 -0.388 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.538 -9.717 -0.214 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.147 -11.205 0.682 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.139 -9.634 1.519 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.814 -6.647 -0.871 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.128 -8.130 -1.803 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.100 -7.764 -0.357 1.00 16.46 H new ATOM 223 N THR A 14 0.448 -10.925 0.206 1.00 9.39 N ATOM 224 CA THR A 14 1.800 -10.819 -0.158 1.00 9.63 C ATOM 225 C THR A 14 1.854 -10.079 -1.521 1.00 11.20 C ATOM 226 O THR A 14 0.995 -10.266 -2.350 1.00 11.63 O ATOM 227 CB THR A 14 2.507 -12.143 -0.351 1.00 10.38 C ATOM 228 OG1 THR A 14 2.351 -12.911 0.858 1.00 16.30 O ATOM 229 CG2 THR A 14 4.012 -11.938 -0.664 1.00 11.66 C ATOM 0 H THR A 14 -0.055 -11.599 -0.371 1.00 9.39 H new ATOM 0 HA THR A 14 2.304 -10.301 0.658 1.00 9.63 H new ATOM 0 HB THR A 14 2.069 -12.669 -1.199 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.950 -12.559 1.549 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.491 -12.908 -0.797 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.117 -11.353 -1.578 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.487 -11.409 0.162 1.00 11.66 H new ATOM 237 N LEU A 15 2.814 -9.175 -1.724 1.00 8.29 N ATOM 238 CA LEU A 15 3.045 -8.343 -2.911 1.00 9.03 C ATOM 239 C LEU A 15 4.531 -8.429 -3.336 1.00 8.59 C ATOM 240 O LEU A 15 5.462 -8.734 -2.607 1.00 7.79 O ATOM 241 CB LEU A 15 2.630 -6.883 -2.551 1.00 11.08 C ATOM 242 CG LEU A 15 1.607 -6.326 -3.499 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.206 -6.805 -3.174 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.572 -4.811 -3.361 1.00 15.27 C ATOM 0 H LEU A 15 3.510 -8.989 -1.002 1.00 8.29 H new ATOM 0 HA LEU A 15 2.452 -8.690 -3.757 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.231 -6.862 -1.537 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.514 -6.245 -2.559 1.00 11.08 H new ATOM 0 HG LEU A 15 1.891 -6.656 -4.498 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.499 -6.376 -3.886 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.170 -7.893 -3.237 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.061 -6.491 -2.165 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.831 -4.400 -4.047 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.306 -4.545 -2.338 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.554 -4.401 -3.599 1.00 15.27 H new ATOM 256 N GLU A 16 4.746 -8.080 -4.633 1.00 11.04 N ATOM 257 CA GLU A 16 6.026 -8.029 -5.298 1.00 11.50 C ATOM 258 C GLU A 16 6.217 -6.668 -5.970 1.00 10.13 C ATOM 259 O GLU A 16 5.433 -6.181 -6.809 1.00 9.83 O ATOM 260 CB GLU A 16 6.081 -9.144 -6.298 1.00 17.22 C ATOM 261 CG GLU A 16 7.394 -9.400 -7.081 1.00 23.33 C ATOM 262 CD GLU A 16 8.406 -10.013 -6.162 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.207 -11.143 -5.676 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.513 -9.375 -5.900 1.00 28.86 O ATOM 0 H GLU A 16 3.978 -7.818 -5.251 1.00 11.04 H new ATOM 0 HA GLU A 16 6.835 -8.152 -4.578 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.827 -10.066 -5.774 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.293 -8.966 -7.030 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.204 -10.062 -7.926 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.776 -8.464 -7.489 1.00 23.33 H new ATOM 271 N VAL A 17 7.313 -5.955 -5.635 1.00 8.99 N ATOM 272 CA VAL A 17 7.505 -4.575 -5.980 1.00 8.85 C ATOM 273 C VAL A 17 8.946 -4.259 -6.151 1.00 8.04 C ATOM 274 O VAL A 17 9.800 -5.092 -5.855 1.00 8.99 O ATOM 275 CB VAL A 17 7.078 -3.599 -4.969 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.541 -3.602 -4.822 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.698 -3.861 -3.594 1.00 10.54 C ATOM 0 H VAL A 17 8.090 -6.352 -5.107 1.00 8.99 H new ATOM 0 HA VAL A 17 6.900 -4.482 -6.882 1.00 8.85 H new ATOM 0 HB VAL A 17 7.425 -2.628 -5.322 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.246 -2.872 -4.068 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.084 -3.343 -5.777 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.207 -4.594 -4.517 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.347 -3.109 -2.887 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.405 -4.851 -3.246 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.784 -3.809 -3.669 1.00 10.54 H new ATOM 287 N GLU A 18 9.313 -3.088 -6.686 1.00 7.29 N ATOM 288 CA GLU A 18 10.641 -2.581 -6.748 1.00 7.08 C ATOM 289 C GLU A 18 10.746 -1.383 -5.754 1.00 6.45 C ATOM 290 O GLU A 18 9.722 -0.729 -5.543 1.00 5.28 O ATOM 291 CB GLU A 18 10.958 -2.068 -8.190 1.00 10.28 C ATOM 292 CG GLU A 18 10.774 -2.944 -9.411 1.00 12.65 C ATOM 293 CD GLU A 18 11.887 -3.965 -9.415 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.068 -3.537 -9.564 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.651 -5.207 -9.276 1.00 14.33 O ATOM 0 H GLU A 18 8.634 -2.452 -7.104 1.00 7.29 H new ATOM 0 HA GLU A 18 11.348 -3.370 -6.490 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.350 -1.177 -8.348 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.000 -1.747 -8.188 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.802 -3.437 -9.385 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.802 -2.344 -10.320 1.00 12.65 H new ATOM 302 N PRO A 19 11.939 -1.024 -5.141 1.00 7.24 N ATOM 303 CA PRO A 19 12.116 0.158 -4.290 1.00 7.07 C ATOM 304 C PRO A 19 11.667 1.468 -4.959 1.00 6.65 C ATOM 305 O PRO A 19 11.225 2.316 -4.232 1.00 6.37 O ATOM 306 CB PRO A 19 13.611 0.160 -3.953 1.00 7.61 C ATOM 307 CG PRO A 19 14.020 -1.259 -4.065 1.00 8.16 C ATOM 308 CD PRO A 19 13.132 -1.876 -5.225 1.00 7.49 C ATOM 0 HA PRO A 19 11.487 0.105 -3.401 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.172 0.790 -4.643 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.791 0.547 -2.950 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.081 -1.342 -4.299 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.858 -1.788 -3.126 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.619 -1.810 -6.198 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.902 -2.928 -5.054 1.00 7.49 H new ATOM 316 N SER A 20 11.737 1.729 -6.298 1.00 6.80 N ATOM 317 CA SER A 20 11.343 2.958 -6.929 1.00 6.28 C ATOM 318 C SER A 20 9.927 3.010 -7.329 1.00 8.45 C ATOM 319 O SER A 20 9.541 4.040 -7.905 1.00 7.26 O ATOM 320 CB SER A 20 12.282 3.150 -8.145 1.00 8.57 C ATOM 321 OG SER A 20 12.506 1.950 -8.859 1.00 11.13 O ATOM 0 H SER A 20 12.088 1.041 -6.965 1.00 6.80 H new ATOM 0 HA SER A 20 11.438 3.770 -6.208 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.852 3.892 -8.817 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.237 3.547 -7.802 1.00 8.57 H new ATOM 0 HG SER A 20 13.103 2.126 -9.616 1.00 11.13 H new ATOM 327 N ASP A 21 9.090 1.988 -7.093 1.00 7.50 N ATOM 328 CA ASP A 21 7.676 1.993 -7.442 1.00 7.70 C ATOM 329 C ASP A 21 6.855 2.997 -6.654 1.00 7.08 C ATOM 330 O ASP A 21 7.158 3.189 -5.473 1.00 8.11 O ATOM 331 CB ASP A 21 7.073 0.606 -7.167 1.00 11.00 C ATOM 332 CG ASP A 21 7.592 -0.517 -8.113 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.205 -0.147 -9.143 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.300 -1.674 -7.875 1.00 14.36 O ATOM 0 H ASP A 21 9.391 1.122 -6.645 1.00 7.50 H new ATOM 0 HA ASP A 21 7.634 2.267 -8.496 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.290 0.326 -6.136 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.989 0.669 -7.258 1.00 11.00 H new ATOM 339 N THR A 22 5.799 3.625 -7.194 1.00 5.37 N ATOM 340 CA THR A 22 4.974 4.570 -6.485 1.00 6.01 C ATOM 341 C THR A 22 3.869 3.860 -5.627 1.00 8.01 C ATOM 342 O THR A 22 3.497 2.725 -5.830 1.00 8.11 O ATOM 343 CB THR A 22 4.324 5.661 -7.293 1.00 8.92 C ATOM 344 OG1 THR A 22 3.561 5.099 -8.367 1.00 10.22 O ATOM 345 CG2 THR A 22 5.394 6.578 -7.850 1.00 9.65 C ATOM 0 H THR A 22 5.502 3.475 -8.158 1.00 5.37 H new ATOM 0 HA THR A 22 5.710 5.071 -5.856 1.00 6.01 H new ATOM 0 HB THR A 22 3.653 6.229 -6.649 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.866 5.477 -9.218 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.926 7.369 -8.436 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.958 7.020 -7.029 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.068 6.005 -8.487 1.00 9.65 H new ATOM 353 N ILE A 23 3.208 4.636 -4.657 1.00 8.32 N ATOM 354 CA ILE A 23 1.939 4.226 -3.958 1.00 9.92 C ATOM 355 C ILE A 23 0.830 3.942 -5.001 1.00 10.01 C ATOM 356 O ILE A 23 0.232 2.871 -4.955 1.00 8.71 O ATOM 357 CB ILE A 23 1.511 5.298 -2.946 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.373 5.167 -1.678 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.067 5.157 -2.437 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.921 5.186 -1.792 1.00 12.30 C ATOM 0 H ILE A 23 3.553 5.548 -4.357 1.00 8.32 H new ATOM 0 HA ILE A 23 2.117 3.307 -3.399 1.00 9.92 H new ATOM 0 HB ILE A 23 1.619 6.242 -3.481 1.00 10.78 H new ATOM 0 HG12 ILE A 23 2.087 5.975 -1.005 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.094 4.233 -1.191 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.148 5.956 -1.727 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.623 5.223 -3.278 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.053 4.192 -1.944 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.360 5.082 -0.800 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.250 4.360 -2.422 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.242 6.129 -2.234 1.00 12.30 H new ATOM 372 N GLU A 24 0.621 4.797 -6.081 1.00 9.54 N ATOM 373 CA GLU A 24 -0.254 4.564 -7.243 1.00 11.81 C ATOM 374 C GLU A 24 -0.070 3.180 -7.827 1.00 11.14 C ATOM 375 O GLU A 24 -1.020 2.402 -7.955 1.00 10.62 O ATOM 376 CB GLU A 24 0.058 5.672 -8.338 1.00 19.24 C ATOM 377 CG GLU A 24 -0.840 5.657 -9.655 1.00 27.76 C ATOM 378 CD GLU A 24 -0.549 6.884 -10.480 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.459 7.007 -11.164 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.388 7.807 -10.363 1.00 36.51 O ATOM 0 H GLU A 24 1.093 5.699 -6.138 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.292 4.631 -6.917 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.044 6.651 -7.869 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.101 5.569 -8.637 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.635 4.758 -10.237 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.896 5.629 -9.387 1.00 27.76 H new ATOM 387 N ASN A 25 1.119 2.764 -8.156 1.00 9.43 N ATOM 388 CA ASN A 25 1.319 1.405 -8.544 1.00 10.96 C ATOM 389 C ASN A 25 1.113 0.332 -7.541 1.00 9.68 C ATOM 390 O ASN A 25 0.522 -0.725 -7.769 1.00 9.33 O ATOM 391 CB ASN A 25 2.851 1.288 -8.906 1.00 16.78 C ATOM 392 CG ASN A 25 3.203 1.842 -10.286 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.327 1.155 -11.299 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.348 3.197 -10.315 1.00 24.70 N ATOM 0 H ASN A 25 1.957 3.345 -8.162 1.00 9.43 H new ATOM 0 HA ASN A 25 0.572 1.238 -9.320 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.434 1.818 -8.153 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.147 0.240 -8.859 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.565 3.668 -11.193 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.239 3.740 -9.458 1.00 24.70 H new ATOM 401 N VAL A 26 1.582 0.516 -6.244 1.00 6.52 N ATOM 402 CA VAL A 26 1.287 -0.446 -5.136 1.00 5.53 C ATOM 403 C VAL A 26 -0.193 -0.726 -4.953 1.00 4.42 C ATOM 404 O VAL A 26 -0.739 -1.821 -4.943 1.00 3.40 O ATOM 405 CB VAL A 26 1.953 -0.164 -3.823 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.602 -1.163 -2.686 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.496 -0.179 -4.042 1.00 8.12 C ATOM 0 H VAL A 26 2.154 1.312 -5.960 1.00 6.52 H new ATOM 0 HA VAL A 26 1.759 -1.359 -5.498 1.00 5.53 H new ATOM 0 HB VAL A 26 1.583 0.807 -3.494 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.130 -0.879 -1.776 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.528 -1.143 -2.503 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.902 -2.169 -2.980 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.000 0.024 -3.097 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.801 -1.158 -4.413 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.768 0.586 -4.770 1.00 8.12 H new ATOM 417 N LYS A 27 -1.010 0.374 -4.950 1.00 2.64 N ATOM 418 CA LYS A 27 -2.469 0.322 -4.997 1.00 4.14 C ATOM 419 C LYS A 27 -3.048 -0.450 -6.242 1.00 5.58 C ATOM 420 O LYS A 27 -4.009 -1.201 -6.045 1.00 4.11 O ATOM 421 CB LYS A 27 -3.109 1.746 -4.918 1.00 3.97 C ATOM 422 CG LYS A 27 -2.769 2.321 -3.536 1.00 7.45 C ATOM 423 CD LYS A 27 -3.327 3.753 -3.262 1.00 9.02 C ATOM 424 CE LYS A 27 -3.323 4.737 -4.439 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.942 5.980 -3.895 1.00 15.47 N ATOM 0 H LYS A 27 -0.646 1.326 -4.914 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.747 -0.249 -4.111 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.719 2.387 -5.708 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.189 1.691 -5.057 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.155 1.645 -2.773 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.685 2.342 -3.425 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.352 3.655 -2.905 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.748 4.193 -2.450 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.310 4.923 -4.797 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.893 4.347 -5.283 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.810 6.759 -4.572 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.959 5.823 -3.742 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.490 6.226 -2.991 1.00 15.47 H new ATOM 439 N ALA A 28 -2.525 -0.240 -7.455 1.00 6.61 N ATOM 440 CA ALA A 28 -2.834 -1.008 -8.626 1.00 7.74 C ATOM 441 C ALA A 28 -2.429 -2.462 -8.488 1.00 9.17 C ATOM 442 O ALA A 28 -3.092 -3.380 -8.872 1.00 11.45 O ATOM 443 CB ALA A 28 -2.242 -0.425 -9.932 1.00 7.68 C ATOM 0 H ALA A 28 -1.850 0.503 -7.636 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.919 -0.949 -8.706 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.519 -1.061 -10.773 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.634 0.579 -10.092 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.156 -0.382 -9.852 1.00 7.68 H new ATOM 449 N LYS A 29 -1.213 -2.833 -7.844 1.00 8.96 N ATOM 450 CA LYS A 29 -0.941 -4.202 -7.508 1.00 7.90 C ATOM 451 C LYS A 29 -1.851 -4.841 -6.522 1.00 6.92 C ATOM 452 O LYS A 29 -2.231 -6.039 -6.735 1.00 6.87 O ATOM 453 CB LYS A 29 0.456 -4.450 -7.085 1.00 10.28 C ATOM 454 CG LYS A 29 1.431 -4.022 -8.159 1.00 14.94 C ATOM 455 CD LYS A 29 2.936 -4.117 -7.712 1.00 19.69 C ATOM 456 CE LYS A 29 4.063 -3.473 -8.489 1.00 22.63 C ATOM 457 NZ LYS A 29 3.967 -3.837 -9.921 1.00 24.98 N ATOM 0 H LYS A 29 -0.477 -2.176 -7.586 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.131 -4.680 -8.469 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.663 -3.906 -6.163 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.591 -5.509 -6.867 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.282 -4.643 -9.042 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.211 -2.995 -8.451 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.986 -3.713 -6.701 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.173 -5.179 -7.643 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.019 -2.390 -8.377 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.023 -3.796 -8.087 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.745 -3.390 -10.446 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.030 -4.870 -10.022 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.058 -3.507 -10.303 1.00 24.98 H new ATOM 471 N ILE A 30 -2.298 -4.174 -5.443 1.00 4.57 N ATOM 472 CA ILE A 30 -3.330 -4.584 -4.573 1.00 5.58 C ATOM 473 C ILE A 30 -4.688 -4.765 -5.243 1.00 7.26 C ATOM 474 O ILE A 30 -5.405 -5.724 -5.063 1.00 9.46 O ATOM 475 CB ILE A 30 -3.370 -3.615 -3.375 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.002 -3.546 -2.553 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.593 -3.914 -2.473 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.822 -2.201 -1.878 1.00 2.00 C ATOM 0 H ILE A 30 -1.897 -3.277 -5.168 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.098 -5.590 -4.223 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.489 -2.613 -3.787 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.989 -4.335 -1.801 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.164 -3.731 -3.225 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.604 -3.220 -1.633 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.509 -3.798 -3.052 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.528 -4.936 -2.099 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.880 -2.193 -1.329 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.809 -1.414 -2.632 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.647 -2.028 -1.187 1.00 2.00 H new ATOM 490 N GLN A 31 -5.008 -3.768 -6.115 1.00 7.06 N ATOM 491 CA GLN A 31 -6.172 -3.763 -6.986 1.00 8.67 C ATOM 492 C GLN A 31 -6.180 -5.027 -7.922 1.00 10.90 C ATOM 493 O GLN A 31 -7.160 -5.731 -8.089 1.00 9.63 O ATOM 494 CB GLN A 31 -6.358 -2.570 -7.798 1.00 9.12 C ATOM 495 CG GLN A 31 -7.576 -2.609 -8.815 1.00 10.76 C ATOM 496 CD GLN A 31 -7.844 -1.348 -9.621 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.956 -0.823 -9.497 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.835 -0.861 -10.378 1.00 14.76 N ATOM 0 H GLN A 31 -4.434 -2.931 -6.218 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.011 -3.779 -6.290 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.493 -1.718 -7.132 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.443 -2.392 -8.363 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.407 -3.428 -9.514 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.479 -2.850 -8.253 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.946 -1.359 -10.425 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.963 0.005 -10.902 1.00 14.76 H new ATOM 507 N ASP A 32 -4.970 -5.394 -8.436 1.00 10.93 N ATOM 508 CA ASP A 32 -4.867 -6.690 -9.176 1.00 14.01 C ATOM 509 C ASP A 32 -5.145 -7.933 -8.242 1.00 14.04 C ATOM 510 O ASP A 32 -5.911 -8.824 -8.607 1.00 13.39 O ATOM 511 CB ASP A 32 -3.467 -6.722 -9.784 1.00 18.01 C ATOM 512 CG ASP A 32 -3.325 -7.680 -10.913 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.145 -7.605 -11.871 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.429 -8.521 -10.853 1.00 25.17 O ATOM 0 H ASP A 32 -4.107 -4.855 -8.362 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.627 -6.756 -9.954 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.210 -5.722 -10.134 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.749 -6.982 -9.006 1.00 18.01 H new ATOM 519 N LYS A 33 -4.561 -7.948 -7.067 1.00 14.22 N ATOM 520 CA LYS A 33 -4.623 -9.054 -6.083 1.00 14.00 C ATOM 521 C LYS A 33 -6.010 -9.265 -5.439 1.00 12.37 C ATOM 522 O LYS A 33 -6.552 -10.377 -5.431 1.00 12.17 O ATOM 523 CB LYS A 33 -3.517 -8.689 -5.001 1.00 18.62 C ATOM 524 CG LYS A 33 -3.087 -9.814 -3.998 1.00 24.00 C ATOM 525 CD LYS A 33 -2.269 -11.040 -4.464 1.00 27.61 C ATOM 526 CE LYS A 33 -0.858 -10.677 -4.940 1.00 27.64 C ATOM 527 NZ LYS A 33 0.094 -11.770 -4.595 1.00 30.06 N ATOM 0 H LYS A 33 -3.999 -7.164 -6.736 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.440 -10.009 -6.576 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.626 -8.352 -5.531 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.881 -7.842 -4.420 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.512 -9.331 -3.207 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.999 -10.197 -3.541 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.197 -11.754 -3.643 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.802 -11.538 -5.274 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.860 -10.512 -6.017 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.537 -9.744 -4.476 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.771 -11.899 -5.374 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.609 -11.521 -3.726 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.432 -12.654 -4.444 1.00 30.06 H new ATOM 541 N GLU A 34 -6.631 -8.174 -4.999 1.00 10.11 N ATOM 542 CA GLU A 34 -7.863 -8.180 -4.191 1.00 10.07 C ATOM 543 C GLU A 34 -9.064 -7.317 -4.715 1.00 9.32 C ATOM 544 O GLU A 34 -10.151 -7.348 -4.144 1.00 11.61 O ATOM 545 CB GLU A 34 -7.583 -7.689 -2.741 1.00 14.77 C ATOM 546 CG GLU A 34 -6.743 -8.722 -1.903 1.00 18.75 C ATOM 547 CD GLU A 34 -7.607 -9.976 -1.675 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.764 -9.834 -1.164 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.157 -11.104 -1.984 1.00 25.19 O ATOM 0 H GLU A 34 -6.288 -7.234 -5.196 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.164 -9.226 -4.250 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.050 -6.739 -2.780 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.530 -7.502 -2.236 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.826 -8.984 -2.431 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.447 -8.286 -0.949 1.00 18.75 H new ATOM 556 N GLY A 35 -8.896 -6.717 -5.923 1.00 7.22 N ATOM 557 CA GLY A 35 -9.996 -5.980 -6.651 1.00 6.29 C ATOM 558 C GLY A 35 -10.426 -4.601 -6.057 1.00 6.93 C ATOM 559 O GLY A 35 -11.432 -4.005 -6.443 1.00 7.41 O ATOM 0 H GLY A 35 -8.009 -6.722 -6.426 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.677 -5.822 -7.681 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.874 -6.625 -6.685 1.00 6.29 H new ATOM 563 N ILE A 36 -9.687 -4.028 -5.013 1.00 5.86 N ATOM 564 CA ILE A 36 -10.035 -2.768 -4.387 1.00 6.07 C ATOM 565 C ILE A 36 -9.613 -1.613 -5.289 1.00 6.36 C ATOM 566 O ILE A 36 -8.477 -1.543 -5.762 1.00 6.18 O ATOM 567 CB ILE A 36 -9.335 -2.634 -3.084 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.664 -3.854 -2.139 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.823 -1.328 -2.340 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.540 -4.249 -1.169 1.00 9.49 C ATOM 0 H ILE A 36 -8.851 -4.461 -4.621 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.113 -2.744 -4.228 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.266 -2.594 -3.292 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.555 -3.614 -1.559 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.909 -4.717 -2.758 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.305 -1.238 -1.385 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.604 -0.455 -2.956 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.897 -1.389 -2.165 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.863 -5.096 -0.564 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.651 -4.526 -1.736 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.308 -3.406 -0.518 1.00 9.49 H new ATOM 582 N PRO A 37 -10.500 -0.692 -5.637 1.00 8.65 N ATOM 583 CA PRO A 37 -10.221 0.550 -6.301 1.00 9.18 C ATOM 584 C PRO A 37 -9.150 1.415 -5.640 1.00 9.85 C ATOM 585 O PRO A 37 -9.172 1.545 -4.417 1.00 8.51 O ATOM 586 CB PRO A 37 -11.547 1.231 -6.364 1.00 11.42 C ATOM 587 CG PRO A 37 -12.546 0.103 -6.419 1.00 9.27 C ATOM 588 CD PRO A 37 -11.911 -0.941 -5.508 1.00 8.33 C ATOM 0 HA PRO A 37 -9.782 0.369 -7.282 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.710 1.864 -5.492 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.623 1.872 -7.242 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.528 0.412 -6.060 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.681 -0.271 -7.434 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.245 -0.829 -4.476 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.169 -1.954 -5.818 1.00 8.33 H new ATOM 596 N PRO A 38 -8.209 1.978 -6.313 1.00 8.71 N ATOM 597 CA PRO A 38 -7.171 2.711 -5.558 1.00 9.08 C ATOM 598 C PRO A 38 -7.643 3.987 -4.793 1.00 9.28 C ATOM 599 O PRO A 38 -6.803 4.587 -4.089 1.00 6.50 O ATOM 600 CB PRO A 38 -6.157 3.002 -6.693 1.00 10.31 C ATOM 601 CG PRO A 38 -6.169 1.722 -7.587 1.00 10.81 C ATOM 602 CD PRO A 38 -7.686 1.345 -7.552 1.00 12.00 C ATOM 0 HA PRO A 38 -6.779 2.141 -4.715 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.447 3.884 -7.264 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.162 3.194 -6.293 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.818 1.923 -8.599 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.538 0.931 -7.182 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.206 1.716 -8.435 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.824 0.264 -7.532 1.00 12.00 H new ATOM 610 N ASP A 39 -8.881 4.457 -4.933 1.00 11.20 N ATOM 611 CA ASP A 39 -9.256 5.680 -4.362 1.00 14.96 C ATOM 612 C ASP A 39 -9.957 5.436 -2.997 1.00 13.99 C ATOM 613 O ASP A 39 -10.357 6.305 -2.249 1.00 13.75 O ATOM 614 CB ASP A 39 -10.346 6.465 -5.254 1.00 24.16 C ATOM 615 CG ASP A 39 -9.922 6.795 -6.680 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.865 7.449 -6.852 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.640 6.449 -7.604 1.00 34.22 O ATOM 0 H ASP A 39 -9.622 3.981 -5.447 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.338 6.260 -4.274 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.255 5.864 -5.295 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.601 7.395 -4.746 1.00 24.16 H new ATOM 622 N GLN A 40 -10.040 4.108 -2.670 1.00 11.60 N ATOM 623 CA GLN A 40 -10.670 3.503 -1.511 1.00 10.76 C ATOM 624 C GLN A 40 -9.585 2.872 -0.640 1.00 8.01 C ATOM 625 O GLN A 40 -9.860 2.209 0.353 1.00 8.96 O ATOM 626 CB GLN A 40 -11.700 2.461 -1.923 1.00 11.14 C ATOM 627 CG GLN A 40 -12.898 2.949 -2.827 1.00 14.85 C ATOM 628 CD GLN A 40 -13.712 1.730 -3.260 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.488 0.592 -2.826 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.784 2.018 -4.035 1.00 18.16 N ATOM 0 H GLN A 40 -9.627 3.400 -3.276 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.198 4.272 -0.947 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.180 1.663 -2.453 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.118 2.022 -1.017 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.527 3.648 -2.276 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.520 3.481 -3.700 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.930 2.970 -4.371 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.446 1.283 -4.283 1.00 18.16 H new ATOM 639 N GLN A 41 -8.292 2.988 -1.011 1.00 6.52 N ATOM 640 CA GLN A 41 -7.156 2.413 -0.330 1.00 3.87 C ATOM 641 C GLN A 41 -6.398 3.455 0.415 1.00 4.79 C ATOM 642 O GLN A 41 -6.001 4.477 -0.206 1.00 6.34 O ATOM 643 CB GLN A 41 -6.230 1.747 -1.370 1.00 4.20 C ATOM 644 CG GLN A 41 -6.860 0.463 -1.987 1.00 3.20 C ATOM 645 CD GLN A 41 -5.804 -0.269 -2.927 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.596 -0.216 -2.577 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.247 -0.893 -4.049 1.00 7.13 N ATOM 0 H GLN A 41 -8.019 3.517 -1.839 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.514 1.673 0.386 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.010 2.459 -2.165 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.281 1.493 -0.898 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.180 -0.212 -1.193 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.749 0.725 -2.561 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.242 -0.896 -4.271 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.584 -1.358 -4.669 1.00 7.13 H new ATOM 656 N ARG A 42 -6.115 3.240 1.677 1.00 5.73 N ATOM 657 CA ARG A 42 -5.143 4.057 2.412 1.00 6.97 C ATOM 658 C ARG A 42 -4.000 3.153 3.007 1.00 7.15 C ATOM 659 O ARG A 42 -4.279 2.198 3.737 1.00 7.33 O ATOM 660 CB ARG A 42 -5.698 4.796 3.619 1.00 13.23 C ATOM 661 CG ARG A 42 -6.648 5.938 3.272 1.00 21.27 C ATOM 662 CD ARG A 42 -7.032 6.775 4.523 1.00 26.14 C ATOM 663 NE ARG A 42 -7.664 8.063 4.071 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.046 9.064 4.895 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.875 8.921 6.216 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.556 10.163 4.380 1.00 36.39 N ATOM 0 H ARG A 42 -6.543 2.500 2.234 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.807 4.776 1.664 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.222 4.084 4.257 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.867 5.194 4.201 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.180 6.587 2.531 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.551 5.533 2.816 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.724 6.216 5.153 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.147 6.980 5.126 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.815 8.190 3.070 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.462 8.066 6.587 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.158 9.668 6.851 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.659 10.252 3.369 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.848 10.925 4.992 1.00 36.39 H new ATOM 680 N LEU A 43 -2.729 3.464 2.747 1.00 4.65 N ATOM 681 CA LEU A 43 -1.612 2.701 3.175 1.00 3.51 C ATOM 682 C LEU A 43 -0.918 3.418 4.301 1.00 5.56 C ATOM 683 O LEU A 43 -0.618 4.579 4.191 1.00 4.19 O ATOM 684 CB LEU A 43 -0.617 2.578 1.906 1.00 3.74 C ATOM 685 CG LEU A 43 -1.139 1.554 0.915 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.315 1.382 -0.421 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.503 0.136 1.452 1.00 6.41 C ATOM 0 H LEU A 43 -2.466 4.291 2.210 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.916 1.716 3.530 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.520 3.548 1.418 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.378 2.290 2.244 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.076 2.063 0.691 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.788 0.623 -1.045 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.291 2.330 -0.958 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.703 1.074 -0.183 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.861 -0.484 0.630 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.619 -0.323 1.895 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.284 0.222 2.208 1.00 6.41 H new ATOM 699 N ILE A 44 -0.734 2.691 5.394 1.00 4.58 N ATOM 700 CA ILE A 44 -0.118 3.197 6.598 1.00 5.55 C ATOM 701 C ILE A 44 1.177 2.366 6.830 1.00 5.46 C ATOM 702 O ILE A 44 1.129 1.131 6.691 1.00 6.04 O ATOM 703 CB ILE A 44 -0.984 3.148 7.859 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.441 3.648 7.564 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.349 3.975 8.990 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.665 5.147 7.236 1.00 13.90 C ATOM 0 H ILE A 44 -1.017 1.713 5.463 1.00 4.58 H new ATOM 0 HA ILE A 44 0.068 4.259 6.437 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.042 2.109 8.183 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.826 3.066 6.727 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.055 3.405 8.431 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.982 3.926 9.876 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.637 3.573 9.225 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.251 5.013 8.671 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.725 5.326 7.058 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.330 5.757 8.075 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.097 5.413 6.344 1.00 13.90 H new ATOM 718 N PHE A 45 2.255 3.024 7.134 1.00 6.75 N ATOM 719 CA PHE A 45 3.477 2.445 7.567 1.00 4.70 C ATOM 720 C PHE A 45 4.260 3.519 8.374 1.00 6.34 C ATOM 721 O PHE A 45 4.283 4.675 8.010 1.00 5.45 O ATOM 722 CB PHE A 45 4.205 1.844 6.353 1.00 5.51 C ATOM 723 CG PHE A 45 5.589 1.344 6.655 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.694 0.040 7.149 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.739 2.164 6.571 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.931 -0.475 7.511 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.965 1.656 6.979 1.00 6.64 C ATOM 728 CZ PHE A 45 8.056 0.331 7.421 1.00 6.84 C ATOM 0 H PHE A 45 2.300 4.042 7.081 1.00 6.75 H new ATOM 0 HA PHE A 45 3.339 1.606 8.249 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.611 1.020 5.957 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.266 2.599 5.569 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.808 -0.569 7.249 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.664 3.173 6.194 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.017 -1.494 7.859 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.845 2.281 6.955 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.020 -0.071 7.697 1.00 6.84 H new ATOM 738 N ALA A 46 4.804 3.076 9.575 1.00 6.53 N ATOM 739 CA ALA A 46 5.675 3.875 10.406 1.00 7.15 C ATOM 740 C ALA A 46 4.956 4.998 11.123 1.00 9.00 C ATOM 741 O ALA A 46 5.541 6.057 11.490 1.00 11.15 O ATOM 742 CB ALA A 46 6.955 4.406 9.718 1.00 8.99 C ATOM 0 H ALA A 46 4.623 2.147 9.955 1.00 6.53 H new ATOM 0 HA ALA A 46 6.015 3.153 11.148 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.535 4.992 10.431 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.554 3.566 9.366 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.679 5.035 8.871 1.00 8.99 H new ATOM 748 N GLY A 47 3.677 4.754 11.401 1.00 9.35 N ATOM 749 CA GLY A 47 2.698 5.706 11.976 1.00 11.68 C ATOM 750 C GLY A 47 2.197 6.735 11.031 1.00 11.14 C ATOM 751 O GLY A 47 1.483 7.638 11.521 1.00 13.93 O ATOM 0 H GLY A 47 3.262 3.839 11.225 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.848 5.142 12.361 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.158 6.208 12.827 1.00 11.68 H new ATOM 755 N LYS A 48 2.525 6.660 9.701 1.00 10.47 N ATOM 756 CA LYS A 48 2.139 7.685 8.789 1.00 8.82 C ATOM 757 C LYS A 48 1.510 7.038 7.542 1.00 7.68 C ATOM 758 O LYS A 48 1.828 5.908 7.237 1.00 6.47 O ATOM 759 CB LYS A 48 3.278 8.587 8.322 1.00 9.74 C ATOM 760 CG LYS A 48 4.717 8.059 8.057 1.00 14.14 C ATOM 761 CD LYS A 48 5.634 9.255 7.602 1.00 16.32 C ATOM 762 CE LYS A 48 7.104 8.769 7.483 1.00 20.04 C ATOM 763 NZ LYS A 48 8.100 9.830 7.000 1.00 23.92 N ATOM 0 H LYS A 48 3.050 5.893 9.282 1.00 10.47 H new ATOM 0 HA LYS A 48 1.439 8.316 9.337 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.944 9.055 7.396 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.370 9.380 9.064 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.120 7.599 8.959 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.698 7.287 7.288 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.291 9.645 6.644 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.567 10.071 8.321 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.430 8.403 8.457 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.137 7.923 6.797 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.053 9.415 6.952 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.820 10.165 6.056 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.104 10.630 7.664 1.00 23.92 H new ATOM 777 N GLN A 49 0.652 7.784 6.862 1.00 8.89 N ATOM 778 CA GLN A 49 0.018 7.352 5.665 1.00 7.18 C ATOM 779 C GLN A 49 0.968 7.619 4.489 1.00 8.23 C ATOM 780 O GLN A 49 1.768 8.500 4.513 1.00 9.70 O ATOM 781 CB GLN A 49 -1.339 8.068 5.376 1.00 11.67 C ATOM 782 CG GLN A 49 -2.031 7.548 4.043 1.00 15.82 C ATOM 783 CD GLN A 49 -3.349 8.294 3.755 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.783 8.312 2.594 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.119 8.781 4.751 1.00 20.67 N ATOM 0 H GLN A 49 0.384 8.725 7.149 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.203 6.292 5.789 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.015 7.912 6.217 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.170 9.142 5.298 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.348 7.679 3.204 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.229 6.480 4.129 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.776 8.773 5.711 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.044 9.157 4.543 1.00 20.67 H new ATOM 794 N LEU A 50 0.854 6.738 3.472 1.00 6.51 N ATOM 795 CA LEU A 50 1.616 6.770 2.284 1.00 7.41 C ATOM 796 C LEU A 50 0.926 7.486 1.144 1.00 8.27 C ATOM 797 O LEU A 50 -0.240 7.186 0.892 1.00 8.34 O ATOM 798 CB LEU A 50 2.039 5.283 1.783 1.00 7.13 C ATOM 799 CG LEU A 50 2.631 4.300 2.884 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.069 2.987 2.177 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.886 4.927 3.499 1.00 9.11 C ATOM 0 H LEU A 50 0.189 5.965 3.494 1.00 6.51 H new ATOM 0 HA LEU A 50 2.509 7.334 2.552 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.162 4.810 1.341 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.778 5.389 0.989 1.00 7.13 H new ATOM 0 HG LEU A 50 1.881 4.112 3.652 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.479 2.296 2.914 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.207 2.530 1.692 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.829 3.213 1.429 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.295 4.256 4.254 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.630 5.092 2.719 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.628 5.880 3.961 1.00 9.11 H new ATOM 813 N GLU A 51 1.565 8.547 0.540 1.00 9.43 N ATOM 814 CA GLU A 51 0.943 9.370 -0.489 1.00 11.90 C ATOM 815 C GLU A 51 1.089 8.814 -1.847 1.00 11.49 C ATOM 816 O GLU A 51 2.189 8.391 -2.298 1.00 9.88 O ATOM 817 CB GLU A 51 1.658 10.774 -0.494 1.00 16.56 C ATOM 818 CG GLU A 51 1.333 11.644 0.780 1.00 26.06 C ATOM 819 CD GLU A 51 2.314 12.779 0.827 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.141 12.930 -0.149 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.277 13.680 1.711 1.00 33.44 O ATOM 0 H GLU A 51 2.517 8.830 0.771 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.120 9.425 -0.253 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.736 10.625 -0.558 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.359 11.323 -1.387 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.312 12.024 0.732 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.406 11.039 1.684 1.00 26.06 H new ATOM 828 N ASP A 52 0.008 8.993 -2.684 1.00 12.71 N ATOM 829 CA ASP A 52 -0.237 8.454 -4.046 1.00 16.56 C ATOM 830 C ASP A 52 0.906 8.724 -5.000 1.00 15.83 C ATOM 831 O ASP A 52 1.283 7.776 -5.707 1.00 17.21 O ATOM 832 CB ASP A 52 -1.532 9.127 -4.525 1.00 21.05 C ATOM 833 CG ASP A 52 -2.042 8.489 -5.858 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.875 7.524 -5.831 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.721 9.033 -6.888 1.00 25.82 O ATOM 0 H ASP A 52 -0.776 9.572 -2.382 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.323 7.368 -4.018 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -2.299 9.033 -3.757 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.358 10.193 -4.672 1.00 21.05 H new ATOM 840 N GLY A 53 1.445 9.975 -5.022 1.00 15.00 N ATOM 841 CA GLY A 53 2.539 10.442 -5.865 1.00 11.77 C ATOM 842 C GLY A 53 3.901 10.147 -5.403 1.00 11.10 C ATOM 843 O GLY A 53 4.887 10.415 -6.133 1.00 11.25 O ATOM 0 H GLY A 53 1.095 10.712 -4.410 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.414 10.006 -6.856 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.445 11.522 -5.977 1.00 11.77 H new ATOM 847 N ARG A 54 4.081 9.485 -4.230 1.00 8.53 N ATOM 848 CA ARG A 54 5.418 9.193 -3.735 1.00 9.05 C ATOM 849 C ARG A 54 5.800 7.758 -3.937 1.00 8.96 C ATOM 850 O ARG A 54 5.016 6.965 -4.487 1.00 11.60 O ATOM 851 CB ARG A 54 5.544 9.390 -2.190 1.00 7.97 C ATOM 852 CG ARG A 54 5.130 10.734 -1.578 1.00 9.62 C ATOM 853 CD ARG A 54 6.187 11.724 -1.853 1.00 12.20 C ATOM 854 NE ARG A 54 5.628 12.988 -1.213 1.00 18.23 N ATOM 855 CZ ARG A 54 6.196 14.188 -1.335 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.482 14.290 -1.747 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.538 15.315 -1.099 1.00 23.38 N ATOM 0 H ARG A 54 3.323 9.156 -3.632 1.00 8.53 H new ATOM 0 HA ARG A 54 6.053 9.880 -4.294 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.951 8.612 -1.709 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.584 9.211 -1.919 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.182 11.066 -2.001 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.980 10.630 -0.503 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.140 11.433 -1.412 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.356 11.851 -2.922 1.00 12.20 H new ATOM 0 HE ARG A 54 4.773 12.912 -0.662 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.016 13.449 -1.964 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.916 15.208 -1.840 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.560 15.284 -0.812 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.010 16.213 -1.204 1.00 23.38 H new ATOM 871 N THR A 55 7.076 7.445 -3.663 1.00 9.05 N ATOM 872 CA THR A 55 7.649 6.128 -3.862 1.00 9.03 C ATOM 873 C THR A 55 7.843 5.429 -2.611 1.00 8.15 C ATOM 874 O THR A 55 7.677 5.966 -1.510 1.00 5.91 O ATOM 875 CB THR A 55 8.948 6.000 -4.711 1.00 11.15 C ATOM 876 OG1 THR A 55 10.052 6.613 -4.080 1.00 11.95 O ATOM 877 CG2 THR A 55 8.739 6.765 -6.093 1.00 11.71 C ATOM 0 H THR A 55 7.742 8.122 -3.290 1.00 9.05 H new ATOM 0 HA THR A 55 6.877 5.666 -4.478 1.00 9.03 H new ATOM 0 HB THR A 55 9.144 4.936 -4.844 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.883 7.574 -3.985 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.643 6.681 -6.696 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.902 6.321 -6.632 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.528 7.817 -5.899 1.00 11.71 H new ATOM 885 N LEU A 56 8.129 4.028 -2.665 1.00 6.91 N ATOM 886 CA LEU A 56 8.554 3.164 -1.584 1.00 8.29 C ATOM 887 C LEU A 56 9.879 3.629 -0.914 1.00 8.05 C ATOM 888 O LEU A 56 10.007 3.710 0.306 1.00 10.17 O ATOM 889 CB LEU A 56 8.745 1.663 -2.020 1.00 6.60 C ATOM 890 CG LEU A 56 7.402 1.093 -2.515 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.525 -0.281 -3.187 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.341 0.892 -1.425 1.00 8.64 C ATOM 0 H LEU A 56 8.043 3.513 -3.541 1.00 6.91 H new ATOM 0 HA LEU A 56 7.735 3.233 -0.869 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.493 1.596 -2.810 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.114 1.074 -1.180 1.00 6.60 H new ATOM 0 HG LEU A 56 7.094 1.869 -3.216 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.540 -0.618 -3.509 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.184 -0.205 -4.052 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.939 -0.997 -2.477 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.433 0.488 -1.872 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.717 0.196 -0.675 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.118 1.849 -0.953 1.00 8.64 H new ATOM 904 N SER A 57 10.937 4.019 -1.671 1.00 8.92 N ATOM 905 CA SER A 57 12.191 4.605 -1.201 1.00 9.00 C ATOM 906 C SER A 57 12.097 5.929 -0.433 1.00 9.44 C ATOM 907 O SER A 57 12.828 6.129 0.508 1.00 10.91 O ATOM 908 CB SER A 57 13.070 4.877 -2.438 1.00 10.32 C ATOM 909 OG SER A 57 13.443 3.670 -3.094 1.00 13.59 O ATOM 0 H SER A 57 10.923 3.921 -2.686 1.00 8.92 H new ATOM 0 HA SER A 57 12.588 3.878 -0.492 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.530 5.518 -3.135 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.966 5.419 -2.136 1.00 10.32 H new ATOM 0 HG SER A 57 12.645 3.241 -3.467 1.00 13.59 H new ATOM 915 N ASP A 58 11.051 6.766 -0.738 1.00 9.11 N ATOM 916 CA ASP A 58 10.779 7.983 0.032 1.00 7.91 C ATOM 917 C ASP A 58 10.560 7.688 1.462 1.00 9.12 C ATOM 918 O ASP A 58 10.918 8.541 2.314 1.00 8.61 O ATOM 919 CB ASP A 58 9.614 8.757 -0.623 1.00 8.41 C ATOM 920 CG ASP A 58 9.981 9.303 -1.956 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.861 10.211 -1.987 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.434 8.872 -2.999 1.00 11.70 O ATOM 0 H ASP A 58 10.401 6.604 -1.507 1.00 9.11 H new ATOM 0 HA ASP A 58 11.656 8.630 0.009 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.754 8.095 -0.728 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.310 9.574 0.031 1.00 8.41 H new ATOM 927 N TYR A 59 9.928 6.530 1.835 1.00 7.97 N ATOM 928 CA TYR A 59 9.551 6.156 3.127 1.00 8.45 C ATOM 929 C TYR A 59 10.470 5.053 3.752 1.00 10.98 C ATOM 930 O TYR A 59 10.277 4.637 4.888 1.00 12.95 O ATOM 931 CB TYR A 59 8.077 5.560 3.064 1.00 7.94 C ATOM 932 CG TYR A 59 7.168 6.657 2.672 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.737 7.619 3.588 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.546 6.696 1.389 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.686 8.515 3.326 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.487 7.581 1.112 1.00 6.52 C ATOM 937 CZ TYR A 59 5.117 8.491 2.099 1.00 6.76 C ATOM 938 OH TYR A 59 4.075 9.497 1.803 1.00 7.63 O ATOM 0 H TYR A 59 9.676 5.821 1.146 1.00 7.97 H new ATOM 0 HA TYR A 59 9.627 7.048 3.749 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.025 4.743 2.344 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.788 5.150 4.032 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.235 7.677 4.544 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.895 6.032 0.613 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.342 9.204 4.084 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.976 7.555 0.161 1.00 6.52 H new ATOM 0 HH TYR A 59 4.486 10.384 1.736 1.00 7.63 H new ATOM 948 N ASN A 60 11.448 4.626 2.948 1.00 12.38 N ATOM 949 CA ASN A 60 12.493 3.684 3.283 1.00 13.94 C ATOM 950 C ASN A 60 12.051 2.258 3.497 1.00 14.16 C ATOM 951 O ASN A 60 12.650 1.519 4.303 1.00 14.26 O ATOM 952 CB ASN A 60 13.403 4.145 4.390 1.00 19.23 C ATOM 953 CG ASN A 60 14.195 5.432 4.104 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.974 5.466 3.190 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.980 6.506 4.954 1.00 24.09 N ATOM 0 H ASN A 60 11.526 4.957 1.986 1.00 12.38 H new ATOM 0 HA ASN A 60 13.078 3.667 2.364 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.805 4.299 5.288 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.110 3.346 4.612 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.495 7.376 4.817 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.307 6.426 5.716 1.00 24.09 H new ATOM 962 N ILE A 61 10.972 1.810 2.759 1.00 11.08 N ATOM 963 CA ILE A 61 10.360 0.507 2.794 1.00 11.78 C ATOM 964 C ILE A 61 11.312 -0.592 2.333 1.00 13.74 C ATOM 965 O ILE A 61 11.995 -0.486 1.290 1.00 14.60 O ATOM 966 CB ILE A 61 9.013 0.529 2.153 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.118 1.597 2.814 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.417 -0.840 2.306 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.811 1.978 2.083 1.00 11.42 C ATOM 0 H ILE A 61 10.506 2.424 2.091 1.00 11.08 H new ATOM 0 HA ILE A 61 10.160 0.234 3.830 1.00 11.78 H new ATOM 0 HB ILE A 61 9.095 0.787 1.097 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.856 1.247 3.812 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.711 2.503 2.939 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.429 -0.860 1.847 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.059 -1.573 1.817 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.330 -1.083 3.365 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.281 2.738 2.658 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.048 2.371 1.094 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.180 1.095 1.981 1.00 11.42 H new ATOM 981 N GLN A 62 11.317 -1.713 3.059 1.00 13.97 N ATOM 982 CA GLN A 62 12.328 -2.739 2.987 1.00 15.52 C ATOM 983 C GLN A 62 11.698 -4.048 2.503 1.00 13.94 C ATOM 984 O GLN A 62 10.500 -4.193 2.449 1.00 12.15 O ATOM 985 CB GLN A 62 13.062 -2.911 4.338 1.00 19.53 C ATOM 986 CG GLN A 62 13.933 -1.694 4.822 1.00 26.38 C ATOM 987 CD GLN A 62 14.781 -2.144 5.995 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.440 -1.877 7.124 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.971 -2.742 5.738 1.00 32.71 N ATOM 0 H GLN A 62 10.584 -1.927 3.735 1.00 13.97 H new ATOM 0 HA GLN A 62 13.087 -2.436 2.265 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.318 -3.125 5.106 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.708 -3.786 4.267 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.568 -1.337 4.011 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.292 -0.863 5.115 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.237 -2.957 4.777 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.600 -2.976 6.506 1.00 32.71 H new ATOM 998 N LYS A 63 12.530 -5.006 2.042 1.00 11.73 N ATOM 999 CA LYS A 63 12.225 -6.361 1.772 1.00 11.97 C ATOM 1000 C LYS A 63 11.544 -7.068 2.920 1.00 10.41 C ATOM 1001 O LYS A 63 12.147 -7.184 3.981 1.00 9.59 O ATOM 1002 CB LYS A 63 13.454 -7.131 1.295 1.00 13.73 C ATOM 1003 CG LYS A 63 13.327 -8.618 1.060 1.00 16.98 C ATOM 1004 CD LYS A 63 14.616 -9.244 0.584 1.00 20.19 C ATOM 1005 CE LYS A 63 14.540 -10.792 0.601 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.320 -11.307 -0.050 1.00 25.97 N ATOM 0 H LYS A 63 13.508 -4.797 1.844 1.00 11.73 H new ATOM 0 HA LYS A 63 11.499 -6.342 0.959 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.789 -6.676 0.363 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.246 -6.978 2.028 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.012 -9.102 1.984 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.545 -8.800 0.322 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.836 -8.901 -0.427 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.438 -8.913 1.219 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.416 -11.201 0.098 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.573 -11.142 1.633 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.552 -12.162 -0.595 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 12.611 -11.540 0.675 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 12.936 -10.583 -0.690 1.00 25.97 H new ATOM 1020 N GLU A 64 10.376 -7.620 2.618 1.00 10.04 N ATOM 1021 CA GLU A 64 9.594 -8.402 3.559 1.00 10.94 C ATOM 1022 C GLU A 64 9.114 -7.608 4.784 1.00 9.74 C ATOM 1023 O GLU A 64 9.006 -8.093 5.904 1.00 9.42 O ATOM 1024 CB GLU A 64 10.191 -9.838 3.799 1.00 18.31 C ATOM 1025 CG GLU A 64 10.148 -10.693 2.547 1.00 24.16 C ATOM 1026 CD GLU A 64 11.027 -11.894 2.637 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.084 -12.386 3.778 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.616 -12.405 1.639 1.00 32.61 O ATOM 0 H GLU A 64 9.942 -7.534 1.699 1.00 10.04 H new ATOM 0 HA GLU A 64 8.639 -8.627 3.083 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.222 -9.748 4.140 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.634 -10.333 4.594 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.122 -11.012 2.366 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.450 -10.090 1.690 1.00 24.16 H new ATOM 1035 N SER A 65 8.735 -6.353 4.530 1.00 6.85 N ATOM 1036 CA SER A 65 8.171 -5.459 5.462 1.00 6.90 C ATOM 1037 C SER A 65 6.677 -5.496 5.300 1.00 4.72 C ATOM 1038 O SER A 65 6.264 -6.012 4.296 1.00 3.91 O ATOM 1039 CB SER A 65 8.724 -3.988 5.278 1.00 7.28 C ATOM 1040 OG SER A 65 8.378 -3.094 6.339 1.00 10.56 O ATOM 0 H SER A 65 8.833 -5.939 3.603 1.00 6.85 H new ATOM 0 HA SER A 65 8.449 -5.767 6.470 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.810 -4.028 5.192 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.344 -3.584 4.339 1.00 7.28 H new ATOM 0 HG SER A 65 7.786 -2.392 5.996 1.00 10.56 H new ATOM 1046 N THR A 66 5.840 -4.987 6.290 1.00 4.48 N ATOM 1047 CA THR A 66 4.405 -5.170 6.266 1.00 3.80 C ATOM 1048 C THR A 66 3.793 -3.800 6.361 1.00 4.60 C ATOM 1049 O THR A 66 4.205 -2.950 7.161 1.00 5.33 O ATOM 1050 CB THR A 66 3.879 -5.891 7.525 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.452 -7.181 7.471 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.370 -6.167 7.513 1.00 3.40 C ATOM 0 H THR A 66 6.177 -4.455 7.093 1.00 4.48 H new ATOM 0 HA THR A 66 4.161 -5.741 5.370 1.00 3.80 H new ATOM 0 HB THR A 66 4.116 -5.266 8.386 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.161 -7.701 8.249 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.086 -6.676 8.434 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.828 -5.224 7.437 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.122 -6.797 6.659 1.00 3.40 H new ATOM 1060 N LEU A 67 2.726 -3.578 5.454 1.00 4.17 N ATOM 1061 CA LEU A 67 2.151 -2.299 5.229 1.00 3.85 C ATOM 1062 C LEU A 67 0.670 -2.461 5.546 1.00 3.80 C ATOM 1063 O LEU A 67 0.039 -3.480 5.312 1.00 5.54 O ATOM 1064 CB LEU A 67 2.351 -1.711 3.829 1.00 7.18 C ATOM 1065 CG LEU A 67 3.816 -1.870 3.259 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.883 -1.171 1.870 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.885 -1.177 4.105 1.00 11.66 C ATOM 0 H LEU A 67 2.299 -4.322 4.902 1.00 4.17 H new ATOM 0 HA LEU A 67 2.659 -1.575 5.866 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.653 -2.191 3.143 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.096 -0.651 3.853 1.00 7.18 H new ATOM 0 HG LEU A 67 4.014 -2.942 3.236 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.888 -1.271 1.461 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.168 -1.638 1.193 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.640 -0.114 1.982 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.864 -1.330 3.651 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.672 -0.109 4.157 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.882 -1.597 5.111 1.00 11.66 H new ATOM 1079 N HIS A 68 0.069 -1.440 6.167 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.224 -1.534 6.860 1.00 4.17 C ATOM 1081 C HIS A 68 -2.214 -0.809 6.031 1.00 5.32 C ATOM 1082 O HIS A 68 -1.973 0.277 5.509 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.204 -0.967 8.285 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.148 -1.546 9.124 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.151 -1.167 9.073 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.242 -2.496 10.067 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.845 -1.892 9.923 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.022 -2.687 10.640 1.00 16.30 N ATOM 0 H HIS A 68 0.475 -0.505 6.204 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.480 -2.587 6.977 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.069 0.114 8.237 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.171 -1.147 8.754 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.143 -3.026 10.339 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.919 -1.857 10.032 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.266 -3.292 11.424 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.283 -1.566 5.568 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.152 -1.068 4.566 1.00 3.97 C ATOM 1098 C LEU A 69 -5.510 -0.872 5.191 1.00 5.07 C ATOM 1099 O LEU A 69 -6.216 -1.798 5.609 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.297 -1.975 3.270 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.397 -1.640 2.246 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.172 -0.232 1.509 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.455 -2.738 1.177 1.00 9.96 C ATOM 0 H LEU A 69 -3.512 -2.502 5.904 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.708 -0.139 4.207 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.342 -1.955 2.746 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.457 -3.001 3.602 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.329 -1.576 2.807 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.983 -0.058 0.801 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.159 0.568 2.249 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.222 -0.248 0.975 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.234 -2.500 0.453 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.493 -2.801 0.668 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.679 -3.694 1.650 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.949 0.425 5.243 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.241 0.903 5.637 1.00 6.26 C ATOM 1117 C VAL A 70 -8.183 1.110 4.455 1.00 9.22 C ATOM 1118 O VAL A 70 -7.797 1.715 3.499 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.300 2.172 6.520 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.680 2.364 7.146 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.210 2.118 7.593 1.00 8.54 C ATOM 0 H VAL A 70 -5.332 1.194 4.983 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.567 0.079 6.271 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.119 3.036 5.881 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.680 3.266 7.758 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.427 2.461 6.358 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.920 1.502 7.769 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.261 3.016 8.209 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.360 1.239 8.220 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.232 2.060 7.115 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.386 0.516 4.521 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.328 0.612 3.491 1.00 16.06 C ATOM 1133 C LEU A 71 -11.533 1.475 3.804 1.00 18.09 C ATOM 1134 O LEU A 71 -12.069 1.396 4.913 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.830 -0.779 3.058 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.630 -1.705 2.616 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.002 -3.226 2.370 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.911 -1.176 1.383 1.00 19.57 C ATOM 0 H LEU A 71 -9.696 -0.041 5.317 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.782 1.101 2.684 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.370 -1.247 3.881 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.535 -0.674 2.233 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.969 -1.673 3.482 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.109 -3.775 2.071 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.402 -3.656 3.288 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.751 -3.294 1.581 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.095 -1.849 1.121 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.612 -1.115 0.551 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.510 -0.184 1.593 1.00 19.57 H new