USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 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 77 ASN : amide:sc= -0.344 K(o=0.55,f=-6!) USER MOD Set 1.2: A 79 THR OG1 : rot 75:sc= 0.899 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0.00115 USER MOD Set 2.2: A 58 SER OG : rot 58:sc=0.000264 USER MOD Single : A 1 LEU N :NH3+ 174:sc= -4.51! (180deg=-5.21!) USER MOD Single : A 5 THR OG1 : rot 43:sc= 0.241 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 32:sc= -1.99! USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -1.78 (180deg=-4.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 0.999 (180deg=-0.375) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -71:sc= 1.04 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -7.04! C(o=-7.9!,f=-7!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0567 F(o=-0.65,f=-0.057) USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.246 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0242 (180deg=-0.0786) USER MOD Single : A 78 HIS : no HD1:sc= -0.0313 K(o=-0.031,f=-0.56) USER MOD Single : A 80 THR OG1 : rot -79:sc= 1.44 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -8.06! C(o=-8.1!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.152 20.460 -7.159 1.00 0.00 N ATOM 2 CA LEU A 1 -12.696 19.749 -5.937 1.00 0.00 C ATOM 3 C LEU A 1 -11.353 19.061 -6.163 1.00 0.00 C ATOM 4 O LEU A 1 -10.805 19.099 -7.266 1.00 0.00 O ATOM 5 CB LEU A 1 -13.762 18.723 -5.523 1.00 0.00 C ATOM 6 CG LEU A 1 -14.315 17.828 -6.641 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.244 18.611 -7.557 1.00 0.00 C ATOM 8 CD2 LEU A 1 -13.184 17.192 -7.439 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.112 20.831 -7.007 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.505 21.248 -7.364 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.159 19.800 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.559 20.478 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.338 18.082 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.596 19.260 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 1 -14.893 17.030 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.622 17.954 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -16.080 19.003 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.697 19.438 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -13.602 16.563 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.571 17.974 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -12.568 16.584 -6.776 1.00 0.00 H new ATOM 22 N PHE A 2 -10.828 18.437 -5.115 1.00 0.00 N ATOM 23 CA PHE A 2 -9.546 17.744 -5.202 1.00 0.00 C ATOM 24 C PHE A 2 -9.648 16.338 -4.619 1.00 0.00 C ATOM 25 O PHE A 2 -10.586 16.025 -3.886 1.00 0.00 O ATOM 26 CB PHE A 2 -8.458 18.534 -4.466 1.00 0.00 C ATOM 27 CG PHE A 2 -8.634 20.026 -4.546 1.00 0.00 C ATOM 28 CD1 PHE A 2 -8.102 20.745 -5.603 1.00 0.00 C ATOM 29 CD2 PHE A 2 -9.332 20.707 -3.561 1.00 0.00 C ATOM 30 CE1 PHE A 2 -8.264 22.116 -5.679 1.00 0.00 C ATOM 31 CE2 PHE A 2 -9.497 22.077 -3.630 1.00 0.00 C ATOM 32 CZ PHE A 2 -8.962 22.782 -4.691 1.00 0.00 C ATOM 0 H PHE A 2 -11.269 18.396 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.277 17.666 -6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.450 18.234 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.486 18.269 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.554 20.229 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.752 20.160 -2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.845 22.665 -6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.043 22.596 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 2 -9.090 23.853 -4.748 1.00 0.00 H new ATOM 42 N ILE A 3 -8.675 15.494 -4.949 1.00 0.00 N ATOM 43 CA ILE A 3 -8.654 14.122 -4.458 1.00 0.00 C ATOM 44 C ILE A 3 -7.284 13.485 -4.667 1.00 0.00 C ATOM 45 O ILE A 3 -6.807 13.369 -5.797 1.00 0.00 O ATOM 46 CB ILE A 3 -9.728 13.259 -5.152 1.00 0.00 C ATOM 47 CG1 ILE A 3 -9.771 11.862 -4.530 1.00 0.00 C ATOM 48 CG2 ILE A 3 -9.462 13.175 -6.647 1.00 0.00 C ATOM 49 CD1 ILE A 3 -10.284 11.851 -3.107 1.00 0.00 C ATOM 0 H ILE A 3 -7.891 15.737 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.871 14.163 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.700 13.731 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.405 11.220 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.769 11.433 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.230 12.562 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.482 14.176 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.484 12.726 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.287 10.829 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.637 12.466 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.298 12.250 -3.083 1.00 0.00 H new ATOM 61 N ALA A 4 -6.657 13.074 -3.571 1.00 0.00 N ATOM 62 CA ALA A 4 -5.341 12.448 -3.631 1.00 0.00 C ATOM 63 C ALA A 4 -5.459 10.948 -3.871 1.00 0.00 C ATOM 64 O ALA A 4 -5.579 10.166 -2.928 1.00 0.00 O ATOM 65 CB ALA A 4 -4.570 12.720 -2.348 1.00 0.00 C ATOM 0 H ALA A 4 -7.039 13.163 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.796 12.882 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.590 12.247 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.447 13.795 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.120 12.313 -1.500 1.00 0.00 H new ATOM 71 N THR A 5 -5.425 10.551 -5.138 1.00 0.00 N ATOM 72 CA THR A 5 -5.528 9.141 -5.499 1.00 0.00 C ATOM 73 C THR A 5 -4.607 8.812 -6.670 1.00 0.00 C ATOM 74 O THR A 5 -4.850 9.237 -7.801 1.00 0.00 O ATOM 75 CB THR A 5 -6.972 8.789 -5.857 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.507 9.731 -6.770 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.893 8.741 -4.656 1.00 0.00 C ATOM 0 H THR A 5 -5.327 11.184 -5.932 1.00 0.00 H new ATOM 0 HA THR A 5 -5.220 8.547 -4.638 1.00 0.00 H new ATOM 0 HB THR A 5 -6.924 7.794 -6.298 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.841 9.933 -7.459 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.902 8.486 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.536 7.987 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.905 9.715 -4.167 1.00 0.00 H new ATOM 85 N LEU A 6 -3.552 8.056 -6.392 1.00 0.00 N ATOM 86 CA LEU A 6 -2.596 7.673 -7.425 1.00 0.00 C ATOM 87 C LEU A 6 -2.104 6.244 -7.216 1.00 0.00 C ATOM 88 O LEU A 6 -1.963 5.784 -6.082 1.00 0.00 O ATOM 89 CB LEU A 6 -1.409 8.640 -7.434 1.00 0.00 C ATOM 90 CG LEU A 6 -1.052 9.211 -8.806 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.824 8.089 -9.807 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.146 10.148 -9.293 1.00 0.00 C ATOM 0 H LEU A 6 -3.336 7.696 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.104 7.722 -8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.628 9.467 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.536 8.124 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.128 9.781 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.571 8.514 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.006 7.456 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.732 7.492 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.876 10.546 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.086 9.601 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.262 10.970 -8.587 1.00 0.00 H new ATOM 104 N LYS A 7 -1.844 5.548 -8.317 1.00 0.00 N ATOM 105 CA LYS A 7 -1.366 4.172 -8.258 1.00 0.00 C ATOM 106 C LYS A 7 -0.002 4.044 -8.929 1.00 0.00 C ATOM 107 O LYS A 7 0.090 3.846 -10.140 1.00 0.00 O ATOM 108 CB LYS A 7 -2.368 3.232 -8.931 1.00 0.00 C ATOM 109 CG LYS A 7 -2.887 3.747 -10.263 1.00 0.00 C ATOM 110 CD LYS A 7 -3.824 2.748 -10.922 1.00 0.00 C ATOM 111 CE LYS A 7 -5.157 2.670 -10.196 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.710 1.289 -10.195 1.00 0.00 N ATOM 0 H LYS A 7 -1.956 5.915 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.265 3.892 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.896 2.262 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.211 3.073 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.410 4.691 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.047 3.952 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.991 3.034 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.357 1.763 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.031 3.011 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.869 3.345 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.619 1.279 -9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.855 0.972 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.043 0.648 -9.719 1.00 0.00 H new ATOM 126 N GLY A 8 1.056 4.160 -8.132 1.00 0.00 N ATOM 127 CA GLY A 8 2.403 4.058 -8.662 1.00 0.00 C ATOM 128 C GLY A 8 2.648 2.750 -9.389 1.00 0.00 C ATOM 129 O GLY A 8 2.030 1.732 -9.075 1.00 0.00 O ATOM 0 H GLY A 8 1.004 4.323 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.584 4.888 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.119 4.155 -7.846 1.00 0.00 H new ATOM 133 N ILE A 9 3.552 2.777 -10.364 1.00 0.00 N ATOM 134 CA ILE A 9 3.878 1.586 -11.138 1.00 0.00 C ATOM 135 C ILE A 9 5.364 1.256 -11.038 1.00 0.00 C ATOM 136 O ILE A 9 6.212 2.006 -11.523 1.00 0.00 O ATOM 137 CB ILE A 9 3.496 1.754 -12.622 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.052 2.243 -12.749 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.683 0.442 -13.369 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.758 2.926 -14.067 1.00 0.00 C ATOM 0 H ILE A 9 4.071 3.612 -10.636 1.00 0.00 H new ATOM 0 HA ILE A 9 3.297 0.766 -10.715 1.00 0.00 H new ATOM 0 HB ILE A 9 4.153 2.501 -13.067 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.378 1.395 -12.631 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.839 2.936 -11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.409 0.577 -14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.726 0.132 -13.304 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.048 -0.324 -12.924 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.716 3.246 -14.086 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.407 3.795 -14.179 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.939 2.230 -14.886 1.00 0.00 H new ATOM 152 N PHE A 10 5.672 0.130 -10.403 1.00 0.00 N ATOM 153 CA PHE A 10 7.053 -0.305 -10.234 1.00 0.00 C ATOM 154 C PHE A 10 7.345 -1.507 -11.129 1.00 0.00 C ATOM 155 O PHE A 10 6.799 -2.591 -10.925 1.00 0.00 O ATOM 156 CB PHE A 10 7.320 -0.659 -8.767 1.00 0.00 C ATOM 157 CG PHE A 10 7.091 0.483 -7.814 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.856 1.112 -7.743 1.00 0.00 C ATOM 159 CD2 PHE A 10 8.111 0.930 -6.988 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.645 2.162 -6.869 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.904 1.979 -6.111 1.00 0.00 C ATOM 162 CZ PHE A 10 6.670 2.595 -6.052 1.00 0.00 C ATOM 0 H PHE A 10 4.981 -0.500 -9.996 1.00 0.00 H new ATOM 0 HA PHE A 10 7.714 0.512 -10.524 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.678 -1.492 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.350 -1.002 -8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.050 0.777 -8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.079 0.453 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.679 2.643 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.707 2.316 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.507 3.414 -5.368 1.00 0.00 H new ATOM 172 N THR A 11 8.196 -1.304 -12.131 1.00 0.00 N ATOM 173 CA THR A 11 8.542 -2.371 -13.066 1.00 0.00 C ATOM 174 C THR A 11 9.913 -2.964 -12.766 1.00 0.00 C ATOM 175 O THR A 11 10.930 -2.266 -12.794 1.00 0.00 O ATOM 176 CB THR A 11 8.506 -1.849 -14.502 1.00 0.00 C ATOM 177 OG1 THR A 11 9.459 -0.817 -14.683 1.00 0.00 O ATOM 178 CG2 THR A 11 7.155 -1.302 -14.906 1.00 0.00 C ATOM 0 H THR A 11 8.658 -0.413 -12.316 1.00 0.00 H new ATOM 0 HA THR A 11 7.802 -3.162 -12.947 1.00 0.00 H new ATOM 0 HB THR A 11 8.733 -2.711 -15.129 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.236 -0.985 -14.109 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.199 -0.948 -15.936 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.405 -2.088 -14.824 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.886 -0.474 -14.249 1.00 0.00 H new ATOM 186 N LEU A 12 9.929 -4.264 -12.493 1.00 0.00 N ATOM 187 CA LEU A 12 11.165 -4.972 -12.199 1.00 0.00 C ATOM 188 C LEU A 12 11.873 -4.362 -10.996 1.00 0.00 C ATOM 189 O LEU A 12 11.941 -3.142 -10.852 1.00 0.00 O ATOM 190 CB LEU A 12 12.090 -4.948 -13.419 1.00 0.00 C ATOM 191 CG LEU A 12 12.663 -6.310 -13.827 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.344 -6.610 -15.284 1.00 0.00 C ATOM 193 CD2 LEU A 12 14.166 -6.351 -13.589 1.00 0.00 C ATOM 0 H LEU A 12 9.094 -4.850 -12.470 1.00 0.00 H new ATOM 0 HA LEU A 12 10.914 -6.005 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.540 -4.534 -14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.918 -4.269 -13.215 1.00 0.00 H new ATOM 0 HG LEU A 12 12.197 -7.077 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.759 -7.581 -15.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.263 -6.625 -15.424 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.781 -5.839 -15.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.555 -7.326 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.649 -5.573 -14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.372 -6.184 -12.532 1.00 0.00 H new ATOM 205 N LYS A 13 12.413 -5.217 -10.139 1.00 0.00 N ATOM 206 CA LYS A 13 13.130 -4.758 -8.955 1.00 0.00 C ATOM 207 C LYS A 13 14.167 -3.699 -9.333 1.00 0.00 C ATOM 208 O LYS A 13 14.544 -2.862 -8.513 1.00 0.00 O ATOM 209 CB LYS A 13 13.810 -5.936 -8.255 1.00 0.00 C ATOM 210 CG LYS A 13 13.058 -6.434 -7.032 1.00 0.00 C ATOM 211 CD LYS A 13 11.778 -7.160 -7.418 1.00 0.00 C ATOM 212 CE LYS A 13 12.056 -8.590 -7.853 1.00 0.00 C ATOM 213 NZ LYS A 13 12.035 -8.734 -9.335 1.00 0.00 N ATOM 0 H LYS A 13 12.369 -6.231 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 13 12.411 -4.310 -8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.917 -6.757 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.816 -5.639 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.698 -7.104 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.818 -5.591 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.091 -7.163 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.284 -6.622 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.028 -8.903 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.312 -9.254 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.821 -9.721 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.305 -8.110 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.964 -8.472 -9.722 1.00 0.00 H new ATOM 227 N ASP A 14 14.621 -3.745 -10.585 1.00 0.00 N ATOM 228 CA ASP A 14 15.609 -2.795 -11.079 1.00 0.00 C ATOM 229 C ASP A 14 15.068 -1.369 -11.044 1.00 0.00 C ATOM 230 O ASP A 14 15.755 -0.452 -10.595 1.00 0.00 O ATOM 231 CB ASP A 14 16.022 -3.157 -12.508 1.00 0.00 C ATOM 232 CG ASP A 14 17.228 -4.073 -12.548 1.00 0.00 C ATOM 233 OD1 ASP A 14 17.113 -5.227 -12.084 1.00 0.00 O ATOM 234 OD2 ASP A 14 18.289 -3.639 -13.044 1.00 0.00 O ATOM 0 H ASP A 14 14.318 -4.433 -11.275 1.00 0.00 H new ATOM 0 HA ASP A 14 16.480 -2.848 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.186 -3.640 -13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.244 -2.244 -13.061 1.00 0.00 H new ATOM 239 N LEU A 15 13.839 -1.183 -11.524 1.00 0.00 N ATOM 240 CA LEU A 15 13.223 0.140 -11.544 1.00 0.00 C ATOM 241 C LEU A 15 12.654 0.501 -10.172 1.00 0.00 C ATOM 242 O LEU A 15 11.677 -0.099 -9.721 1.00 0.00 O ATOM 243 CB LEU A 15 12.116 0.191 -12.599 1.00 0.00 C ATOM 244 CG LEU A 15 12.001 1.517 -13.353 1.00 0.00 C ATOM 245 CD1 LEU A 15 11.685 1.273 -14.820 1.00 0.00 C ATOM 246 CD2 LEU A 15 10.937 2.399 -12.717 1.00 0.00 C ATOM 0 H LEU A 15 13.254 -1.928 -11.902 1.00 0.00 H new ATOM 0 HA LEU A 15 13.993 0.868 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.287 -0.607 -13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.163 -0.017 -12.114 1.00 0.00 H new ATOM 0 HG LEU A 15 12.959 2.033 -13.291 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.607 2.228 -15.339 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.481 0.679 -15.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.740 0.736 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.868 3.338 -13.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.974 1.888 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.205 2.603 -11.680 1.00 0.00 H new ATOM 258 N PRO A 16 13.259 1.488 -9.484 1.00 0.00 N ATOM 259 CA PRO A 16 12.815 1.922 -8.168 1.00 0.00 C ATOM 260 C PRO A 16 11.838 3.085 -8.241 1.00 0.00 C ATOM 261 O PRO A 16 11.971 4.074 -7.515 1.00 0.00 O ATOM 262 CB PRO A 16 14.116 2.362 -7.516 1.00 0.00 C ATOM 263 CG PRO A 16 14.979 2.849 -8.642 1.00 0.00 C ATOM 264 CD PRO A 16 14.429 2.262 -9.925 1.00 0.00 C ATOM 0 HA PRO A 16 12.280 1.141 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.942 3.151 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.590 1.535 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.974 3.938 -8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 16 16.014 2.541 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.149 3.041 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.164 1.628 -10.422 1.00 0.00 H new ATOM 272 N GLU A 17 10.861 2.949 -9.122 1.00 0.00 N ATOM 273 CA GLU A 17 9.843 3.974 -9.316 1.00 0.00 C ATOM 274 C GLU A 17 10.460 5.268 -9.842 1.00 0.00 C ATOM 275 O GLU A 17 10.170 5.692 -10.960 1.00 0.00 O ATOM 276 CB GLU A 17 9.088 4.228 -8.004 1.00 0.00 C ATOM 277 CG GLU A 17 8.484 5.620 -7.887 1.00 0.00 C ATOM 278 CD GLU A 17 7.645 5.995 -9.093 1.00 0.00 C ATOM 279 OE1 GLU A 17 7.183 5.077 -9.804 1.00 0.00 O ATOM 280 OE2 GLU A 17 7.449 7.206 -9.326 1.00 0.00 O ATOM 0 H GLU A 17 10.749 2.131 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 17 9.135 3.615 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.291 3.490 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.771 4.070 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.867 5.670 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.284 6.350 -7.764 1.00 0.00 H new ATOM 287 N GLU A 18 11.303 5.897 -9.029 1.00 0.00 N ATOM 288 CA GLU A 18 11.941 7.144 -9.427 1.00 0.00 C ATOM 289 C GLU A 18 13.128 7.504 -8.536 1.00 0.00 C ATOM 290 O GLU A 18 14.072 8.155 -8.984 1.00 0.00 O ATOM 291 CB GLU A 18 10.915 8.278 -9.408 1.00 0.00 C ATOM 292 CG GLU A 18 11.386 9.538 -10.115 1.00 0.00 C ATOM 293 CD GLU A 18 11.335 9.412 -11.624 1.00 0.00 C ATOM 294 OE1 GLU A 18 10.282 9.736 -12.214 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.349 8.988 -12.219 1.00 0.00 O ATOM 0 H GLU A 18 11.558 5.566 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 18 12.326 7.004 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.994 7.931 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.674 8.521 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.766 10.379 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.407 9.763 -9.807 1.00 0.00 H new ATOM 302 N PHE A 19 13.075 7.091 -7.279 1.00 0.00 N ATOM 303 CA PHE A 19 14.151 7.390 -6.339 1.00 0.00 C ATOM 304 C PHE A 19 13.975 6.628 -5.031 1.00 0.00 C ATOM 305 O PHE A 19 13.321 7.106 -4.104 1.00 0.00 O ATOM 306 CB PHE A 19 14.210 8.894 -6.070 1.00 0.00 C ATOM 307 CG PHE A 19 15.065 9.277 -4.894 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.426 9.022 -4.896 1.00 0.00 C ATOM 309 CD2 PHE A 19 14.504 9.892 -3.787 1.00 0.00 C ATOM 310 CE1 PHE A 19 17.213 9.373 -3.815 1.00 0.00 C ATOM 311 CE2 PHE A 19 15.284 10.245 -2.703 1.00 0.00 C ATOM 312 CZ PHE A 19 16.641 9.986 -2.717 1.00 0.00 C ATOM 0 H PHE A 19 12.305 6.551 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 19 15.090 7.068 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.590 9.396 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.198 9.262 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.878 8.543 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.444 10.098 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.273 9.168 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.834 10.723 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.253 10.262 -1.871 1.00 0.00 H new ATOM 322 N ARG A 20 14.573 5.449 -4.963 1.00 0.00 N ATOM 323 CA ARG A 20 14.499 4.613 -3.767 1.00 0.00 C ATOM 324 C ARG A 20 13.047 4.353 -3.371 1.00 0.00 C ATOM 325 O ARG A 20 12.365 5.242 -2.863 1.00 0.00 O ATOM 326 CB ARG A 20 15.245 5.276 -2.609 1.00 0.00 C ATOM 327 CG ARG A 20 15.816 4.285 -1.607 1.00 0.00 C ATOM 328 CD ARG A 20 17.304 4.507 -1.385 1.00 0.00 C ATOM 329 NE ARG A 20 17.825 3.678 -0.299 1.00 0.00 N ATOM 330 CZ ARG A 20 18.135 2.390 -0.433 1.00 0.00 C ATOM 331 NH1 ARG A 20 17.977 1.780 -1.602 1.00 0.00 N ATOM 332 NH2 ARG A 20 18.604 1.711 0.604 1.00 0.00 N ATOM 0 H ARG A 20 15.118 5.045 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 20 14.971 3.657 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.057 5.883 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.566 5.954 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.288 4.381 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.649 3.269 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.845 4.283 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.484 5.558 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 20 17.959 4.112 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.617 2.298 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.216 0.793 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.727 2.175 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.842 0.724 0.502 1.00 0.00 H new ATOM 346 N PRO A 21 12.548 3.129 -3.607 1.00 0.00 N ATOM 347 CA PRO A 21 11.179 2.757 -3.290 1.00 0.00 C ATOM 348 C PRO A 21 11.052 2.074 -1.933 1.00 0.00 C ATOM 349 O PRO A 21 12.022 1.526 -1.410 1.00 0.00 O ATOM 350 CB PRO A 21 10.872 1.771 -4.410 1.00 0.00 C ATOM 351 CG PRO A 21 12.164 1.050 -4.629 1.00 0.00 C ATOM 352 CD PRO A 21 13.270 1.999 -4.219 1.00 0.00 C ATOM 0 HA PRO A 21 10.508 3.614 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.075 1.083 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.544 2.285 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.201 0.135 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.272 0.759 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.957 1.533 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.862 2.319 -5.076 1.00 0.00 H new ATOM 360 N PHE A 22 9.845 2.092 -1.379 1.00 0.00 N ATOM 361 CA PHE A 22 9.588 1.454 -0.093 1.00 0.00 C ATOM 362 C PHE A 22 9.182 -0.006 -0.294 1.00 0.00 C ATOM 363 O PHE A 22 8.773 -0.683 0.650 1.00 0.00 O ATOM 364 CB PHE A 22 8.487 2.201 0.665 1.00 0.00 C ATOM 365 CG PHE A 22 8.629 3.695 0.619 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.704 4.321 1.229 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.688 4.473 -0.035 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.837 5.696 1.188 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.815 5.849 -0.078 1.00 0.00 C ATOM 370 CZ PHE A 22 8.891 6.462 0.534 1.00 0.00 C ATOM 0 H PHE A 22 9.031 2.540 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 22 10.505 1.488 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.519 1.924 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.490 1.877 1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.446 3.728 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.845 3.999 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.680 6.172 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.073 6.444 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.993 7.537 0.501 1.00 0.00 H new ATOM 380 N VAL A 23 9.298 -0.481 -1.533 1.00 0.00 N ATOM 381 CA VAL A 23 8.945 -1.852 -1.873 1.00 0.00 C ATOM 382 C VAL A 23 10.187 -2.739 -1.964 1.00 0.00 C ATOM 383 O VAL A 23 10.091 -3.964 -1.888 1.00 0.00 O ATOM 384 CB VAL A 23 8.196 -1.908 -3.218 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.756 -3.330 -3.535 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.007 -0.959 -3.208 1.00 0.00 C ATOM 0 H VAL A 23 9.637 0.071 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 23 8.298 -2.222 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 23 8.880 -1.587 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.229 -3.344 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.631 -3.977 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.092 -3.689 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.491 -1.013 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.321 -1.243 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.356 0.060 -3.041 1.00 0.00 H new ATOM 396 N ASP A 24 11.348 -2.111 -2.141 1.00 0.00 N ATOM 397 CA ASP A 24 12.610 -2.839 -2.257 1.00 0.00 C ATOM 398 C ASP A 24 12.732 -3.942 -1.209 1.00 0.00 C ATOM 399 O ASP A 24 13.272 -5.012 -1.486 1.00 0.00 O ATOM 400 CB ASP A 24 13.789 -1.871 -2.131 1.00 0.00 C ATOM 401 CG ASP A 24 15.111 -2.523 -2.485 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.273 -2.942 -3.650 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.984 -2.615 -1.597 1.00 0.00 O ATOM 0 H ASP A 24 11.441 -1.097 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 24 12.625 -3.311 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.623 -1.014 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.836 -1.491 -1.111 1.00 0.00 H new ATOM 408 N TYR A 25 12.230 -3.682 -0.007 1.00 0.00 N ATOM 409 CA TYR A 25 12.296 -4.668 1.065 1.00 0.00 C ATOM 410 C TYR A 25 11.527 -5.929 0.684 1.00 0.00 C ATOM 411 O TYR A 25 12.027 -7.040 0.848 1.00 0.00 O ATOM 412 CB TYR A 25 11.761 -4.077 2.377 1.00 0.00 C ATOM 413 CG TYR A 25 10.260 -4.191 2.547 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.399 -3.303 1.915 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.707 -5.187 3.342 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.030 -3.404 2.070 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.338 -5.296 3.501 1.00 0.00 C ATOM 418 CZ TYR A 25 7.505 -4.402 2.864 1.00 0.00 C ATOM 419 OH TYR A 25 6.142 -4.507 3.019 1.00 0.00 O ATOM 0 H TYR A 25 11.777 -2.805 0.248 1.00 0.00 H new ATOM 0 HA TYR A 25 13.340 -4.941 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.248 -4.579 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.042 -3.025 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.807 -2.521 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.357 -5.888 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.374 -2.705 1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.924 -6.077 4.121 1.00 0.00 H new ATOM 0 HH TYR A 25 5.937 -5.263 3.608 1.00 0.00 H new ATOM 429 N LYS A 26 10.318 -5.751 0.165 1.00 0.00 N ATOM 430 CA LYS A 26 9.501 -6.884 -0.247 1.00 0.00 C ATOM 431 C LYS A 26 10.179 -7.639 -1.387 1.00 0.00 C ATOM 432 O LYS A 26 9.940 -8.830 -1.585 1.00 0.00 O ATOM 433 CB LYS A 26 8.094 -6.414 -0.651 1.00 0.00 C ATOM 434 CG LYS A 26 7.818 -6.450 -2.150 1.00 0.00 C ATOM 435 CD LYS A 26 6.443 -5.890 -2.475 1.00 0.00 C ATOM 436 CE LYS A 26 5.339 -6.725 -1.847 1.00 0.00 C ATOM 437 NZ LYS A 26 5.317 -8.113 -2.384 1.00 0.00 N ATOM 0 H LYS A 26 9.885 -4.839 0.020 1.00 0.00 H new ATOM 0 HA LYS A 26 9.397 -7.567 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.358 -7.038 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.949 -5.395 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.580 -5.875 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.889 -7.476 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.373 -4.863 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.308 -5.860 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.478 -6.756 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.375 -6.250 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.353 -8.350 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.968 -8.183 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.615 -8.777 -1.641 1.00 0.00 H new ATOM 451 N ALA A 27 11.037 -6.940 -2.127 1.00 0.00 N ATOM 452 CA ALA A 27 11.758 -7.549 -3.233 1.00 0.00 C ATOM 453 C ALA A 27 12.837 -8.494 -2.716 1.00 0.00 C ATOM 454 O ALA A 27 13.217 -9.448 -3.394 1.00 0.00 O ATOM 455 CB ALA A 27 12.371 -6.476 -4.119 1.00 0.00 C ATOM 0 H ALA A 27 11.247 -5.953 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 27 11.052 -8.129 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.908 -6.947 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.582 -5.839 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.064 -5.872 -3.533 1.00 0.00 H new ATOM 461 N GLY A 28 13.326 -8.221 -1.507 1.00 0.00 N ATOM 462 CA GLY A 28 14.354 -9.058 -0.919 1.00 0.00 C ATOM 463 C GLY A 28 14.129 -9.301 0.561 1.00 0.00 C ATOM 464 O GLY A 28 15.080 -9.341 1.341 1.00 0.00 O ATOM 0 H GLY A 28 13.028 -7.436 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.382 -10.015 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.327 -8.588 -1.063 1.00 0.00 H new ATOM 468 N LEU A 29 12.867 -9.459 0.951 1.00 0.00 N ATOM 469 CA LEU A 29 12.524 -9.694 2.351 1.00 0.00 C ATOM 470 C LEU A 29 12.810 -11.140 2.763 1.00 0.00 C ATOM 471 O LEU A 29 12.674 -11.496 3.932 1.00 0.00 O ATOM 472 CB LEU A 29 11.049 -9.356 2.603 1.00 0.00 C ATOM 473 CG LEU A 29 10.049 -10.464 2.260 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.622 -9.971 2.447 1.00 0.00 C ATOM 475 CD2 LEU A 29 10.261 -10.956 0.836 1.00 0.00 C ATOM 0 H LEU A 29 12.067 -9.429 0.319 1.00 0.00 H new ATOM 0 HA LEU A 29 13.150 -9.041 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.929 -9.095 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.794 -8.469 2.024 1.00 0.00 H new ATOM 0 HG LEU A 29 10.217 -11.299 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.925 -10.771 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.474 -9.670 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.443 -9.118 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.541 -11.743 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.122 -10.128 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.272 -11.350 0.734 1.00 0.00 H new ATOM 487 N GLU A 30 13.206 -11.968 1.800 1.00 0.00 N ATOM 488 CA GLU A 30 13.505 -13.369 2.077 1.00 0.00 C ATOM 489 C GLU A 30 14.345 -13.980 0.961 1.00 0.00 C ATOM 490 O GLU A 30 14.073 -15.087 0.496 1.00 0.00 O ATOM 491 CB GLU A 30 12.208 -14.161 2.252 1.00 0.00 C ATOM 492 CG GLU A 30 12.420 -15.558 2.814 1.00 0.00 C ATOM 493 CD GLU A 30 12.370 -15.589 4.329 1.00 0.00 C ATOM 494 OE1 GLU A 30 11.252 -15.614 4.885 1.00 0.00 O ATOM 495 OE2 GLU A 30 13.448 -15.590 4.958 1.00 0.00 O ATOM 0 H GLU A 30 13.327 -11.694 0.825 1.00 0.00 H new ATOM 0 HA GLU A 30 14.080 -13.417 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.541 -13.609 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.706 -14.239 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.657 -16.226 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.384 -15.939 2.478 1.00 0.00 H new ATOM 502 N LYS A 31 15.369 -13.249 0.534 1.00 0.00 N ATOM 503 CA LYS A 31 16.253 -13.715 -0.528 1.00 0.00 C ATOM 504 C LYS A 31 15.470 -13.967 -1.810 1.00 0.00 C ATOM 505 O LYS A 31 15.656 -14.985 -2.479 1.00 0.00 O ATOM 506 CB LYS A 31 16.977 -14.992 -0.095 1.00 0.00 C ATOM 507 CG LYS A 31 18.078 -14.750 0.926 1.00 0.00 C ATOM 508 CD LYS A 31 18.987 -15.960 1.063 1.00 0.00 C ATOM 509 CE LYS A 31 20.440 -15.548 1.233 1.00 0.00 C ATOM 510 NZ LYS A 31 21.096 -15.268 -0.073 1.00 0.00 N ATOM 0 H LYS A 31 15.607 -12.330 0.908 1.00 0.00 H new ATOM 0 HA LYS A 31 16.992 -12.938 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.250 -15.688 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.407 -15.472 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.667 -13.883 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.633 -14.516 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.674 -16.556 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.888 -16.593 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.494 -14.660 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.983 -16.339 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.085 -14.991 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.068 -16.122 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.594 -14.495 -0.555 1.00 0.00 H new ATOM 524 N LYS A 32 14.595 -13.029 -2.148 1.00 0.00 N ATOM 525 CA LYS A 32 13.777 -13.140 -3.351 1.00 0.00 C ATOM 526 C LYS A 32 14.583 -12.781 -4.599 1.00 0.00 C ATOM 527 O LYS A 32 14.210 -13.146 -5.713 1.00 0.00 O ATOM 528 CB LYS A 32 12.548 -12.235 -3.242 1.00 0.00 C ATOM 529 CG LYS A 32 11.292 -12.968 -2.799 1.00 0.00 C ATOM 530 CD LYS A 32 10.078 -12.053 -2.814 1.00 0.00 C ATOM 531 CE LYS A 32 9.202 -12.308 -4.031 1.00 0.00 C ATOM 532 NZ LYS A 32 7.981 -11.455 -4.027 1.00 0.00 N ATOM 0 H LYS A 32 14.432 -12.181 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 32 13.450 -14.176 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.759 -11.433 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.364 -11.767 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.115 -13.819 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.437 -13.366 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.495 -12.206 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.405 -11.013 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.776 -12.116 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.911 -13.358 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.412 -11.660 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.420 -11.656 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.258 -10.453 -4.030 1.00 0.00 H new ATOM 546 N LYS A 33 15.689 -12.067 -4.406 1.00 0.00 N ATOM 547 CA LYS A 33 16.542 -11.662 -5.518 1.00 0.00 C ATOM 548 C LYS A 33 15.804 -10.704 -6.448 1.00 0.00 C ATOM 549 O LYS A 33 14.663 -10.322 -6.184 1.00 0.00 O ATOM 550 CB LYS A 33 17.017 -12.890 -6.299 1.00 0.00 C ATOM 551 CG LYS A 33 18.449 -13.295 -5.983 1.00 0.00 C ATOM 552 CD LYS A 33 18.886 -14.490 -6.814 1.00 0.00 C ATOM 553 CE LYS A 33 19.526 -14.055 -8.122 1.00 0.00 C ATOM 554 NZ LYS A 33 20.958 -13.686 -7.945 1.00 0.00 N ATOM 0 H LYS A 33 16.015 -11.757 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 33 17.410 -11.145 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.355 -13.728 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.933 -12.686 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.116 -12.454 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.535 -13.536 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.594 -15.092 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.024 -15.124 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.447 -14.862 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.979 -13.204 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.357 -13.395 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.033 -12.899 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.485 -14.506 -7.582 1.00 0.00 H new ATOM 568 N LEU A 34 16.461 -10.321 -7.538 1.00 0.00 N ATOM 569 CA LEU A 34 15.868 -9.408 -8.507 1.00 0.00 C ATOM 570 C LEU A 34 15.618 -10.111 -9.837 1.00 0.00 C ATOM 571 O LEU A 34 16.529 -10.264 -10.651 1.00 0.00 O ATOM 572 CB LEU A 34 16.778 -8.195 -8.722 1.00 0.00 C ATOM 573 CG LEU A 34 17.449 -7.657 -7.457 1.00 0.00 C ATOM 574 CD1 LEU A 34 18.798 -8.328 -7.244 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.610 -6.147 -7.541 1.00 0.00 C ATOM 0 H LEU A 34 17.405 -10.629 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 34 14.911 -9.070 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.553 -8.464 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 16.191 -7.395 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 34 16.812 -7.887 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.262 -7.934 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.657 -9.404 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.443 -8.128 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.089 -5.781 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.227 -5.894 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.630 -5.682 -7.647 1.00 0.00 H new ATOM 587 N SER A 35 14.377 -10.535 -10.053 1.00 0.00 N ATOM 588 CA SER A 35 14.007 -11.220 -11.285 1.00 0.00 C ATOM 589 C SER A 35 13.546 -10.222 -12.343 1.00 0.00 C ATOM 590 O SER A 35 13.616 -9.010 -12.139 1.00 0.00 O ATOM 591 CB SER A 35 12.898 -12.240 -11.011 1.00 0.00 C ATOM 592 OG SER A 35 13.432 -13.544 -10.853 1.00 0.00 O ATOM 0 H SER A 35 13.611 -10.416 -9.390 1.00 0.00 H new ATOM 0 HA SER A 35 14.887 -11.742 -11.662 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.352 -11.956 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.183 -12.234 -11.833 1.00 0.00 H new ATOM 0 HG SER A 35 12.704 -14.176 -10.677 1.00 0.00 H new ATOM 598 N ASP A 36 13.076 -10.739 -13.472 1.00 0.00 N ATOM 599 CA ASP A 36 12.603 -9.893 -14.562 1.00 0.00 C ATOM 600 C ASP A 36 11.140 -10.182 -14.882 1.00 0.00 C ATOM 601 O ASP A 36 10.696 -10.003 -16.016 1.00 0.00 O ATOM 602 CB ASP A 36 13.461 -10.105 -15.810 1.00 0.00 C ATOM 603 CG ASP A 36 13.410 -11.536 -16.311 1.00 0.00 C ATOM 604 OD1 ASP A 36 12.353 -11.942 -16.840 1.00 0.00 O ATOM 605 OD2 ASP A 36 14.426 -12.249 -16.177 1.00 0.00 O ATOM 0 H ASP A 36 13.012 -11.740 -13.657 1.00 0.00 H new ATOM 0 HA ASP A 36 12.688 -8.854 -14.243 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.121 -9.434 -16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.494 -9.838 -15.587 1.00 0.00 H new ATOM 610 N ASP A 37 10.395 -10.631 -13.877 1.00 0.00 N ATOM 611 CA ASP A 37 8.981 -10.945 -14.056 1.00 0.00 C ATOM 612 C ASP A 37 8.151 -10.477 -12.859 1.00 0.00 C ATOM 613 O ASP A 37 6.990 -10.858 -12.715 1.00 0.00 O ATOM 614 CB ASP A 37 8.796 -12.450 -14.259 1.00 0.00 C ATOM 615 CG ASP A 37 7.743 -12.768 -15.302 1.00 0.00 C ATOM 616 OD1 ASP A 37 7.635 -12.009 -16.287 1.00 0.00 O ATOM 617 OD2 ASP A 37 7.025 -13.777 -15.133 1.00 0.00 O ATOM 0 H ASP A 37 10.746 -10.786 -12.932 1.00 0.00 H new ATOM 0 HA ASP A 37 8.631 -10.415 -14.941 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.746 -12.893 -14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.515 -12.910 -13.311 1.00 0.00 H new ATOM 622 N ASP A 38 8.750 -9.650 -12.004 1.00 0.00 N ATOM 623 CA ASP A 38 8.058 -9.138 -10.827 1.00 0.00 C ATOM 624 C ASP A 38 7.553 -7.719 -11.068 1.00 0.00 C ATOM 625 O ASP A 38 8.248 -6.894 -11.660 1.00 0.00 O ATOM 626 CB ASP A 38 8.986 -9.164 -9.611 1.00 0.00 C ATOM 627 CG ASP A 38 8.280 -9.643 -8.357 1.00 0.00 C ATOM 628 OD1 ASP A 38 7.594 -10.685 -8.422 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.414 -8.977 -7.309 1.00 0.00 O ATOM 0 H ASP A 38 9.710 -9.322 -12.105 1.00 0.00 H new ATOM 0 HA ASP A 38 7.200 -9.781 -10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.835 -9.816 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.386 -8.164 -9.441 1.00 0.00 H new ATOM 634 N GLU A 39 6.339 -7.441 -10.604 1.00 0.00 N ATOM 635 CA GLU A 39 5.742 -6.120 -10.767 1.00 0.00 C ATOM 636 C GLU A 39 5.007 -5.697 -9.500 1.00 0.00 C ATOM 637 O GLU A 39 4.270 -6.484 -8.906 1.00 0.00 O ATOM 638 CB GLU A 39 4.779 -6.115 -11.956 1.00 0.00 C ATOM 639 CG GLU A 39 4.767 -4.802 -12.721 1.00 0.00 C ATOM 640 CD GLU A 39 3.777 -4.805 -13.869 1.00 0.00 C ATOM 641 OE1 GLU A 39 2.595 -4.479 -13.634 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.183 -5.134 -15.003 1.00 0.00 O ATOM 0 H GLU A 39 5.749 -8.113 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 39 6.544 -5.406 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.052 -6.921 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.771 -6.327 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.522 -3.990 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.766 -4.602 -13.108 1.00 0.00 H new ATOM 649 N ILE A 40 5.213 -4.450 -9.090 1.00 0.00 N ATOM 650 CA ILE A 40 4.571 -3.925 -7.891 1.00 0.00 C ATOM 651 C ILE A 40 3.796 -2.646 -8.197 1.00 0.00 C ATOM 652 O ILE A 40 4.236 -1.817 -8.993 1.00 0.00 O ATOM 653 CB ILE A 40 5.600 -3.634 -6.781 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.584 -4.798 -6.647 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.896 -3.372 -5.458 1.00 0.00 C ATOM 656 CD1 ILE A 40 5.930 -6.099 -6.235 1.00 0.00 C ATOM 0 H ILE A 40 5.819 -3.785 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 40 3.880 -4.692 -7.542 1.00 0.00 H new ATOM 0 HB ILE A 40 6.160 -2.740 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.094 -4.943 -7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.346 -4.536 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.637 -3.168 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.235 -2.512 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.311 -4.248 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.687 -6.879 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.443 -5.971 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.187 -6.385 -6.980 1.00 0.00 H new ATOM 668 N ALA A 41 2.642 -2.494 -7.555 1.00 0.00 N ATOM 669 CA ALA A 41 1.805 -1.318 -7.754 1.00 0.00 C ATOM 670 C ALA A 41 1.346 -0.746 -6.418 1.00 0.00 C ATOM 671 O ALA A 41 0.606 -1.392 -5.677 1.00 0.00 O ATOM 672 CB ALA A 41 0.606 -1.664 -8.623 1.00 0.00 C ATOM 0 H ALA A 41 2.266 -3.172 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 41 2.399 -0.558 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.010 -0.776 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.951 -2.023 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.017 -2.442 -8.137 1.00 0.00 H new ATOM 678 N ILE A 42 1.794 0.468 -6.113 1.00 0.00 N ATOM 679 CA ILE A 42 1.433 1.122 -4.862 1.00 0.00 C ATOM 680 C ILE A 42 0.282 2.102 -5.058 1.00 0.00 C ATOM 681 O ILE A 42 0.402 3.078 -5.798 1.00 0.00 O ATOM 682 CB ILE A 42 2.632 1.876 -4.255 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.875 0.983 -4.250 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.303 2.346 -2.847 1.00 0.00 C ATOM 685 CD1 ILE A 42 5.105 1.662 -3.686 1.00 0.00 C ATOM 0 H ILE A 42 2.407 1.018 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 42 1.121 0.333 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 42 2.841 2.752 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.666 0.086 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.084 0.659 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.159 2.877 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.442 3.014 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.071 1.485 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.947 0.971 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.340 2.544 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.915 1.961 -2.655 1.00 0.00 H new ATOM 697 N ILE A 43 -0.832 1.836 -4.383 1.00 0.00 N ATOM 698 CA ILE A 43 -2.006 2.696 -4.474 1.00 0.00 C ATOM 699 C ILE A 43 -2.272 3.391 -3.144 1.00 0.00 C ATOM 700 O ILE A 43 -2.870 2.811 -2.236 1.00 0.00 O ATOM 701 CB ILE A 43 -3.258 1.899 -4.885 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.963 1.042 -6.118 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.421 2.843 -5.156 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.137 0.201 -6.566 1.00 0.00 C ATOM 0 H ILE A 43 -0.946 1.031 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.797 3.443 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.535 1.238 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.659 1.693 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.119 0.387 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.299 2.265 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.644 3.414 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.155 3.526 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.855 -0.380 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.428 -0.475 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.976 0.851 -6.815 1.00 0.00 H new ATOM 716 N SER A 44 -1.817 4.635 -3.030 1.00 0.00 N ATOM 717 CA SER A 44 -1.999 5.406 -1.807 1.00 0.00 C ATOM 718 C SER A 44 -3.071 6.478 -1.984 1.00 0.00 C ATOM 719 O SER A 44 -3.298 6.972 -3.087 1.00 0.00 O ATOM 720 CB SER A 44 -0.677 6.051 -1.380 1.00 0.00 C ATOM 721 OG SER A 44 0.358 5.757 -2.303 1.00 0.00 O ATOM 0 H SER A 44 -1.320 5.130 -3.770 1.00 0.00 H new ATOM 0 HA SER A 44 -2.329 4.720 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.804 7.131 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.397 5.692 -0.389 1.00 0.00 H new ATOM 0 HG SER A 44 1.190 6.182 -2.008 1.00 0.00 H new ATOM 727 N ILE A 45 -3.721 6.833 -0.881 1.00 0.00 N ATOM 728 CA ILE A 45 -4.768 7.849 -0.895 1.00 0.00 C ATOM 729 C ILE A 45 -4.665 8.737 0.340 1.00 0.00 C ATOM 730 O ILE A 45 -3.748 8.584 1.148 1.00 0.00 O ATOM 731 CB ILE A 45 -6.180 7.221 -0.957 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.184 5.834 -0.306 1.00 0.00 C ATOM 733 CG2 ILE A 45 -6.656 7.138 -2.400 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.501 5.100 -0.433 1.00 0.00 C ATOM 0 H ILE A 45 -3.540 6.430 0.038 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.621 8.448 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.868 7.858 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.397 5.229 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.938 5.939 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.651 6.694 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.692 8.139 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.966 6.521 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.424 4.127 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.289 5.682 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.740 4.961 -1.487 1.00 0.00 H new ATOM 746 N LYS A 46 -5.601 9.669 0.484 1.00 0.00 N ATOM 747 CA LYS A 46 -5.597 10.581 1.625 1.00 0.00 C ATOM 748 C LYS A 46 -6.180 9.918 2.875 1.00 0.00 C ATOM 749 O LYS A 46 -7.102 10.438 3.499 1.00 0.00 O ATOM 750 CB LYS A 46 -6.356 11.875 1.280 1.00 0.00 C ATOM 751 CG LYS A 46 -7.880 11.781 1.354 1.00 0.00 C ATOM 752 CD LYS A 46 -8.409 10.475 0.778 1.00 0.00 C ATOM 753 CE LYS A 46 -9.926 10.410 0.851 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.412 9.026 1.106 1.00 0.00 N ATOM 0 H LYS A 46 -6.369 9.814 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.561 10.837 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.024 12.662 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.076 12.182 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.197 11.872 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.320 12.618 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.089 10.377 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.981 9.635 1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.280 11.070 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.350 10.777 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.451 9.025 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.097 8.400 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.028 8.684 2.010 1.00 0.00 H new ATOM 768 N GLY A 47 -5.623 8.768 3.243 1.00 0.00 N ATOM 769 CA GLY A 47 -6.095 8.062 4.420 1.00 0.00 C ATOM 770 C GLY A 47 -5.417 8.537 5.692 1.00 0.00 C ATOM 771 O GLY A 47 -5.498 7.876 6.728 1.00 0.00 O ATOM 0 H GLY A 47 -4.855 8.314 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.172 8.198 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.918 6.994 4.295 1.00 0.00 H new ATOM 775 N THR A 48 -4.745 9.686 5.616 1.00 0.00 N ATOM 776 CA THR A 48 -4.052 10.247 6.769 1.00 0.00 C ATOM 777 C THR A 48 -3.013 9.271 7.315 1.00 0.00 C ATOM 778 O THR A 48 -2.602 9.371 8.471 1.00 0.00 O ATOM 779 CB THR A 48 -5.057 10.616 7.864 1.00 0.00 C ATOM 780 OG1 THR A 48 -5.442 9.470 8.601 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.319 11.260 7.325 1.00 0.00 C ATOM 0 H THR A 48 -4.668 10.244 4.766 1.00 0.00 H new ATOM 0 HA THR A 48 -3.533 11.149 6.445 1.00 0.00 H new ATOM 0 HB THR A 48 -4.541 11.337 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.005 8.895 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.989 11.497 8.152 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.061 12.176 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.816 10.571 6.642 1.00 0.00 H new ATOM 789 N GLN A 49 -2.590 8.328 6.474 1.00 0.00 N ATOM 790 CA GLN A 49 -1.596 7.333 6.869 1.00 0.00 C ATOM 791 C GLN A 49 -1.386 6.309 5.757 1.00 0.00 C ATOM 792 O GLN A 49 -1.248 5.115 6.021 1.00 0.00 O ATOM 793 CB GLN A 49 -2.028 6.621 8.155 1.00 0.00 C ATOM 794 CG GLN A 49 -0.920 6.510 9.189 1.00 0.00 C ATOM 795 CD GLN A 49 -1.446 6.209 10.579 1.00 0.00 C ATOM 796 OE1 GLN A 49 -2.047 5.160 10.815 1.00 0.00 O ATOM 797 NE2 GLN A 49 -1.224 7.132 11.508 1.00 0.00 N ATOM 0 H GLN A 49 -2.921 8.233 5.514 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.655 7.852 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.870 7.158 8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.383 5.621 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.226 5.725 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.355 7.442 9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.721 7.987 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.556 6.986 12.461 1.00 0.00 H new ATOM 806 N SER A 50 -1.367 6.781 4.512 1.00 0.00 N ATOM 807 CA SER A 50 -1.179 5.901 3.361 1.00 0.00 C ATOM 808 C SER A 50 -2.448 5.097 3.090 1.00 0.00 C ATOM 809 O SER A 50 -3.526 5.449 3.569 1.00 0.00 O ATOM 810 CB SER A 50 0.006 4.957 3.591 1.00 0.00 C ATOM 811 OG SER A 50 0.761 4.787 2.404 1.00 0.00 O ATOM 0 H SER A 50 -1.479 7.767 4.275 1.00 0.00 H new ATOM 0 HA SER A 50 -0.965 6.520 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.645 5.356 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.358 3.989 3.936 1.00 0.00 H new ATOM 0 HG SER A 50 1.512 4.182 2.578 1.00 0.00 H new ATOM 817 N ASN A 51 -2.321 4.022 2.320 1.00 0.00 N ATOM 818 CA ASN A 51 -3.468 3.184 1.994 1.00 0.00 C ATOM 819 C ASN A 51 -3.061 1.712 1.860 1.00 0.00 C ATOM 820 O ASN A 51 -2.650 1.090 2.841 1.00 0.00 O ATOM 821 CB ASN A 51 -4.144 3.696 0.719 1.00 0.00 C ATOM 822 CG ASN A 51 -5.487 3.037 0.472 1.00 0.00 C ATOM 823 OD1 ASN A 51 -6.370 3.105 1.463 1.00 0.00 O flip ATOM 824 ND2 ASN A 51 -5.730 2.475 -0.595 1.00 0.00 N flip ATOM 0 H ASN A 51 -1.439 3.712 1.912 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.186 3.244 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.280 4.775 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.490 3.513 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.022 2.447 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.639 2.038 -0.746 1.00 0.00 H new ATOM 831 N HIS A 52 -3.183 1.150 0.659 1.00 0.00 N ATOM 832 CA HIS A 52 -2.835 -0.248 0.433 1.00 0.00 C ATOM 833 C HIS A 52 -1.760 -0.380 -0.643 1.00 0.00 C ATOM 834 O HIS A 52 -1.635 0.477 -1.517 1.00 0.00 O ATOM 835 CB HIS A 52 -4.078 -1.041 0.026 1.00 0.00 C ATOM 836 CG HIS A 52 -5.312 -0.655 0.783 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.487 -0.331 2.087 1.00 0.00 N flip ATOM 838 CD2 HIS A 52 -6.558 -0.566 0.199 1.00 0.00 C flip ATOM 839 CE1 HIS A 52 -6.821 -0.057 2.262 1.00 0.00 C flip ATOM 840 NE2 HIS A 52 -7.445 -0.205 1.109 1.00 0.00 N flip ATOM 0 H HIS A 52 -3.519 1.641 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.439 -0.652 1.365 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.257 -0.898 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.886 -2.103 0.178 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.775 -0.761 -0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.285 0.233 3.193 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.442 -0.065 0.948 1.00 0.00 H new ATOM 849 N VAL A 53 -0.989 -1.460 -0.571 1.00 0.00 N ATOM 850 CA VAL A 53 0.074 -1.708 -1.539 1.00 0.00 C ATOM 851 C VAL A 53 -0.134 -3.045 -2.246 1.00 0.00 C ATOM 852 O VAL A 53 0.073 -4.108 -1.661 1.00 0.00 O ATOM 853 CB VAL A 53 1.462 -1.696 -0.865 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.561 -2.790 0.187 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.565 -1.842 -1.904 1.00 0.00 C ATOM 0 H VAL A 53 -1.080 -2.178 0.148 1.00 0.00 H new ATOM 0 HA VAL A 53 0.034 -0.904 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 53 1.590 -0.736 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.548 -2.762 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.799 -2.631 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.407 -3.761 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.536 -1.831 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.440 -2.785 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.510 -1.015 -2.612 1.00 0.00 H new ATOM 865 N LEU A 54 -0.549 -2.983 -3.507 1.00 0.00 N ATOM 866 CA LEU A 54 -0.789 -4.189 -4.293 1.00 0.00 C ATOM 867 C LEU A 54 0.388 -4.480 -5.220 1.00 0.00 C ATOM 868 O LEU A 54 1.436 -3.839 -5.132 1.00 0.00 O ATOM 869 CB LEU A 54 -2.077 -4.044 -5.107 1.00 0.00 C ATOM 870 CG LEU A 54 -3.250 -4.895 -4.619 1.00 0.00 C ATOM 871 CD1 LEU A 54 -3.621 -4.526 -3.192 1.00 0.00 C ATOM 872 CD2 LEU A 54 -4.447 -4.730 -5.543 1.00 0.00 C ATOM 0 H LEU A 54 -0.726 -2.112 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.897 -5.027 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.379 -2.997 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.865 -4.305 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.946 -5.942 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.458 -5.142 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.766 -4.696 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.906 -3.475 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.273 -5.342 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.752 -3.684 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.175 -5.046 -6.550 1.00 0.00 H new ATOM 884 N PHE A 55 0.205 -5.451 -6.109 1.00 0.00 N ATOM 885 CA PHE A 55 1.250 -5.831 -7.055 1.00 0.00 C ATOM 886 C PHE A 55 0.688 -6.725 -8.156 1.00 0.00 C ATOM 887 O PHE A 55 -0.289 -7.443 -7.947 1.00 0.00 O ATOM 888 CB PHE A 55 2.399 -6.546 -6.334 1.00 0.00 C ATOM 889 CG PHE A 55 1.974 -7.298 -5.102 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.967 -8.248 -5.164 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.585 -7.052 -3.883 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.575 -8.938 -4.033 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.197 -7.740 -2.747 1.00 0.00 C ATOM 894 CZ PHE A 55 1.192 -8.683 -2.822 1.00 0.00 C ATOM 0 H PHE A 55 -0.657 -5.990 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 55 1.635 -4.919 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.872 -7.242 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.154 -5.810 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.483 -8.451 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.372 -6.316 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.212 -9.675 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.680 -7.539 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.888 -9.221 -1.936 1.00 0.00 H new ATOM 904 N LEU A 56 1.311 -6.672 -9.328 1.00 0.00 N ATOM 905 CA LEU A 56 0.873 -7.475 -10.464 1.00 0.00 C ATOM 906 C LEU A 56 1.859 -8.604 -10.747 1.00 0.00 C ATOM 907 O LEU A 56 3.000 -8.360 -11.138 1.00 0.00 O ATOM 908 CB LEU A 56 0.716 -6.597 -11.708 1.00 0.00 C ATOM 909 CG LEU A 56 -0.258 -5.426 -11.560 1.00 0.00 C ATOM 910 CD1 LEU A 56 -1.597 -5.906 -11.024 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.330 -4.357 -10.649 1.00 0.00 C ATOM 0 H LEU A 56 2.121 -6.081 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.093 -7.914 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.695 -6.202 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.383 -7.223 -12.536 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.421 -4.989 -12.545 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.275 -5.058 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.024 -6.635 -11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.453 -6.370 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.375 -3.531 -10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.523 -4.784 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.264 -3.990 -11.075 1.00 0.00 H new ATOM 923 N SER A 57 1.411 -9.839 -10.546 1.00 0.00 N ATOM 924 CA SER A 57 2.254 -11.005 -10.779 1.00 0.00 C ATOM 925 C SER A 57 2.125 -11.489 -12.220 1.00 0.00 C ATOM 926 O SER A 57 3.124 -11.745 -12.891 1.00 0.00 O ATOM 927 CB SER A 57 1.881 -12.131 -9.814 1.00 0.00 C ATOM 928 OG SER A 57 0.487 -12.385 -9.840 1.00 0.00 O ATOM 0 H SER A 57 0.469 -10.058 -10.222 1.00 0.00 H new ATOM 0 HA SER A 57 3.290 -10.715 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.424 -13.038 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.186 -11.863 -8.802 1.00 0.00 H new ATOM 0 HG SER A 57 0.275 -13.110 -9.216 1.00 0.00 H new ATOM 934 N SER A 58 0.887 -11.611 -12.689 1.00 0.00 N ATOM 935 CA SER A 58 0.628 -12.064 -14.051 1.00 0.00 C ATOM 936 C SER A 58 -0.478 -11.237 -14.699 1.00 0.00 C ATOM 937 O SER A 58 -1.617 -11.688 -14.819 1.00 0.00 O ATOM 938 CB SER A 58 0.241 -13.545 -14.053 1.00 0.00 C ATOM 939 OG SER A 58 -0.643 -13.842 -12.986 1.00 0.00 O ATOM 0 H SER A 58 0.049 -11.403 -12.147 1.00 0.00 H new ATOM 0 HA SER A 58 1.542 -11.933 -14.631 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.231 -13.800 -15.002 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.138 -14.159 -13.968 1.00 0.00 H new ATOM 0 HG SER A 58 -1.442 -13.278 -13.056 1.00 0.00 H new ATOM 945 N TYR A 59 -0.133 -10.024 -15.118 1.00 0.00 N ATOM 946 CA TYR A 59 -1.094 -9.132 -15.758 1.00 0.00 C ATOM 947 C TYR A 59 -1.147 -9.381 -17.261 1.00 0.00 C ATOM 948 O TYR A 59 -0.114 -9.541 -17.910 1.00 0.00 O ATOM 949 CB TYR A 59 -0.726 -7.673 -15.483 1.00 0.00 C ATOM 950 CG TYR A 59 -1.861 -6.703 -15.729 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.067 -6.151 -16.987 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.723 -6.340 -14.703 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.102 -5.264 -17.216 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.760 -5.453 -14.923 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.946 -4.918 -16.181 1.00 0.00 C ATOM 956 OH TYR A 59 -4.976 -4.035 -16.404 1.00 0.00 O ATOM 0 H TYR A 59 0.806 -9.636 -15.026 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.079 -9.336 -15.339 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.398 -7.579 -14.448 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.120 -7.396 -16.112 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.408 -6.419 -17.799 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.581 -6.757 -13.717 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.249 -4.844 -18.200 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.421 -5.180 -14.114 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.278 -4.113 -17.333 1.00 0.00 H new ATOM 966 N ASN A 60 -2.358 -9.416 -17.810 1.00 0.00 N ATOM 967 CA ASN A 60 -2.541 -9.648 -19.238 1.00 0.00 C ATOM 968 C ASN A 60 -2.897 -8.349 -19.963 1.00 0.00 C ATOM 969 O ASN A 60 -2.012 -7.629 -20.424 1.00 0.00 O ATOM 970 CB ASN A 60 -3.624 -10.707 -19.470 1.00 0.00 C ATOM 971 CG ASN A 60 -3.050 -12.105 -19.590 1.00 0.00 C ATOM 972 OD1 ASN A 60 -3.276 -12.798 -20.582 1.00 0.00 O ATOM 973 ND2 ASN A 60 -2.302 -12.527 -18.577 1.00 0.00 N ATOM 0 H ASN A 60 -3.225 -9.287 -17.288 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.600 -10.015 -19.647 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.337 -10.680 -18.646 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.176 -10.465 -20.378 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.889 -13.459 -18.602 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.141 -11.919 -17.774 1.00 0.00 H new ATOM 980 N SER A 61 -4.194 -8.052 -20.062 1.00 0.00 N ATOM 981 CA SER A 61 -4.658 -6.838 -20.731 1.00 0.00 C ATOM 982 C SER A 61 -6.168 -6.882 -20.949 1.00 0.00 C ATOM 983 O SER A 61 -6.660 -6.557 -22.030 1.00 0.00 O ATOM 984 CB SER A 61 -3.946 -6.656 -22.076 1.00 0.00 C ATOM 985 OG SER A 61 -3.694 -7.906 -22.694 1.00 0.00 O ATOM 0 H SER A 61 -4.941 -8.637 -19.687 1.00 0.00 H new ATOM 0 HA SER A 61 -4.421 -5.991 -20.087 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.558 -6.038 -22.734 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.006 -6.126 -21.924 1.00 0.00 H new ATOM 0 HG SER A 61 -3.241 -7.762 -23.551 1.00 0.00 H new ATOM 991 N VAL A 62 -6.900 -7.287 -19.915 1.00 0.00 N ATOM 992 CA VAL A 62 -8.353 -7.374 -19.997 1.00 0.00 C ATOM 993 C VAL A 62 -9.020 -6.567 -18.888 1.00 0.00 C ATOM 994 O VAL A 62 -8.428 -6.336 -17.833 1.00 0.00 O ATOM 995 CB VAL A 62 -8.832 -8.835 -19.913 1.00 0.00 C ATOM 996 CG1 VAL A 62 -8.513 -9.578 -21.202 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.205 -9.536 -18.717 1.00 0.00 C ATOM 0 H VAL A 62 -6.511 -7.559 -19.012 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.639 -6.959 -20.963 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.914 -8.835 -19.779 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.859 -10.609 -21.123 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.015 -9.090 -22.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.436 -9.569 -21.370 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.556 -10.567 -18.675 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.120 -9.526 -18.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.490 -9.018 -17.801 1.00 0.00 H new ATOM 1007 N ASP A 63 -10.254 -6.141 -19.135 1.00 0.00 N ATOM 1008 CA ASP A 63 -11.005 -5.358 -18.160 1.00 0.00 C ATOM 1009 C ASP A 63 -11.185 -6.130 -16.856 1.00 0.00 C ATOM 1010 O ASP A 63 -11.300 -5.536 -15.784 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.372 -4.973 -18.729 1.00 0.00 C ATOM 1012 CG ASP A 63 -13.160 -6.178 -19.203 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -13.691 -6.915 -18.345 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.248 -6.385 -20.431 1.00 0.00 O ATOM 0 H ASP A 63 -10.756 -6.325 -20.004 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.437 -4.453 -17.947 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.944 -4.445 -17.966 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.235 -4.282 -19.561 1.00 0.00 H new ATOM 1019 N GLU A 64 -11.208 -7.456 -16.954 1.00 0.00 N ATOM 1020 CA GLU A 64 -11.375 -8.306 -15.779 1.00 0.00 C ATOM 1021 C GLU A 64 -10.289 -8.024 -14.743 1.00 0.00 C ATOM 1022 O GLU A 64 -10.570 -7.908 -13.551 1.00 0.00 O ATOM 1023 CB GLU A 64 -11.346 -9.781 -16.181 1.00 0.00 C ATOM 1024 CG GLU A 64 -12.399 -10.622 -15.478 1.00 0.00 C ATOM 1025 CD GLU A 64 -13.070 -11.613 -16.408 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -13.534 -11.193 -17.488 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -13.133 -12.810 -16.056 1.00 0.00 O ATOM 0 H GLU A 64 -11.113 -7.965 -17.833 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.343 -8.079 -15.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.490 -9.859 -17.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.360 -10.190 -15.961 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.936 -11.161 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.154 -9.965 -15.047 1.00 0.00 H new ATOM 1034 N ILE A 65 -9.050 -7.912 -15.209 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.923 -7.641 -14.325 1.00 0.00 C ATOM 1036 C ILE A 65 -7.835 -6.156 -13.996 1.00 0.00 C ATOM 1037 O ILE A 65 -7.422 -5.775 -12.899 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.592 -8.096 -14.952 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.708 -9.533 -15.461 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.461 -7.975 -13.942 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -7.064 -10.531 -14.381 1.00 0.00 C ATOM 0 H ILE A 65 -8.801 -8.005 -16.194 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.094 -8.207 -13.409 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.366 -7.448 -15.799 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.465 -9.572 -16.244 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.762 -9.826 -15.917 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.527 -8.300 -14.401 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.367 -6.937 -13.624 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.678 -8.601 -13.076 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.129 -11.529 -14.815 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.295 -10.521 -13.608 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.025 -10.263 -13.941 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.226 -5.320 -14.952 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.193 -3.875 -14.764 1.00 0.00 C ATOM 1055 C ARG A 66 -9.141 -3.453 -13.646 1.00 0.00 C ATOM 1056 O ARG A 66 -8.804 -2.605 -12.819 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.567 -3.161 -16.063 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.530 -1.646 -15.959 1.00 0.00 C ATOM 1059 CD ARG A 66 -9.637 -1.003 -16.778 1.00 0.00 C ATOM 1060 NE ARG A 66 -10.883 -0.891 -16.022 1.00 0.00 N ATOM 1061 CZ ARG A 66 -12.074 -0.698 -16.581 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -12.188 -0.595 -17.901 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -13.156 -0.606 -15.821 1.00 0.00 N ATOM 0 H ARG A 66 -8.569 -5.619 -15.865 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.178 -3.592 -14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.885 -3.479 -16.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.568 -3.472 -16.363 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.630 -1.350 -14.915 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.562 -1.280 -16.303 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.319 -0.012 -17.102 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.811 -1.592 -17.678 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.836 -0.965 -15.006 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.359 -0.664 -18.491 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.104 -0.447 -18.324 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.075 -0.683 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.069 -0.458 -16.250 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.328 -4.051 -13.627 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.324 -3.739 -12.609 1.00 0.00 C ATOM 1079 C LYS A 67 -10.900 -4.285 -11.250 1.00 0.00 C ATOM 1080 O LYS A 67 -11.195 -3.693 -10.213 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.685 -4.317 -13.001 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.838 -3.768 -12.176 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.167 -4.369 -12.606 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.339 -3.646 -11.963 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.531 -3.616 -12.856 1.00 0.00 N ATOM 0 H LYS A 67 -10.623 -4.754 -14.305 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.406 -2.654 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.870 -4.107 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.655 -5.401 -12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.666 -3.981 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.877 -2.684 -12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.257 -4.317 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.195 -5.424 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.600 -4.139 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.045 -2.626 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.308 -3.114 -12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.290 -3.124 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.828 -4.589 -13.072 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.204 -5.418 -11.265 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.737 -6.045 -10.034 1.00 0.00 C ATOM 1101 C GLU A 68 -8.842 -5.093 -9.245 1.00 0.00 C ATOM 1102 O GLU A 68 -8.986 -4.953 -8.031 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.978 -7.336 -10.350 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.339 -8.494 -9.433 1.00 0.00 C ATOM 1105 CD GLU A 68 -10.625 -9.184 -9.843 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -11.709 -8.696 -9.461 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.548 -10.213 -10.547 1.00 0.00 O ATOM 0 H GLU A 68 -9.951 -5.920 -12.116 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.608 -6.285 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.181 -7.624 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.907 -7.145 -10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.526 -9.220 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.438 -8.126 -8.412 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.921 -4.440 -9.945 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.008 -3.498 -9.310 1.00 0.00 C ATOM 1116 C LEU A 69 -7.721 -2.193 -8.981 1.00 0.00 C ATOM 1117 O LEU A 69 -7.469 -1.581 -7.943 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.807 -3.225 -10.218 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.679 -2.419 -9.575 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.037 -3.208 -8.443 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.639 -2.034 -10.616 1.00 0.00 C ATOM 0 H LEU A 69 -7.787 -4.546 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.654 -3.943 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.403 -4.179 -10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.154 -2.693 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.103 -1.505 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.236 -2.618 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.787 -3.433 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.627 -4.139 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.843 -1.461 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.220 -2.936 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.108 -1.429 -11.392 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.619 -1.776 -9.867 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.374 -0.546 -9.663 1.00 0.00 C ATOM 1135 C GLU A 70 -10.197 -0.636 -8.383 1.00 0.00 C ATOM 1136 O GLU A 70 -10.202 0.290 -7.569 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.290 -0.277 -10.859 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.495 1.201 -11.147 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.221 1.558 -12.596 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -9.069 1.377 -13.044 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.158 2.019 -13.281 1.00 0.00 O ATOM 0 H GLU A 70 -8.841 -2.270 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.669 0.280 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.870 -0.756 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.259 -0.741 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.519 1.477 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.840 1.787 -10.502 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.886 -1.760 -8.209 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.706 -1.974 -7.022 1.00 0.00 C ATOM 1150 C GLU A 71 -10.843 -1.959 -5.767 1.00 0.00 C ATOM 1151 O GLU A 71 -11.270 -1.490 -4.712 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.467 -3.299 -7.126 1.00 0.00 C ATOM 1153 CG GLU A 71 -11.566 -4.521 -7.191 1.00 0.00 C ATOM 1154 CD GLU A 71 -12.291 -5.800 -6.822 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.352 -5.712 -6.168 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -11.801 -6.888 -7.188 1.00 0.00 O ATOM 0 H GLU A 71 -10.893 -2.534 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.430 -1.162 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.131 -3.394 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.097 -3.276 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.160 -4.615 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.720 -4.380 -6.518 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.620 -2.465 -5.891 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.690 -2.501 -4.769 1.00 0.00 C ATOM 1165 C ALA A 72 -7.999 -1.152 -4.595 1.00 0.00 C ATOM 1166 O ALA A 72 -7.535 -0.816 -3.506 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.662 -3.604 -4.967 1.00 0.00 C ATOM 0 H ALA A 72 -9.250 -2.856 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.257 -2.713 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.975 -3.617 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.170 -4.566 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.103 -3.420 -5.885 1.00 0.00 H new ATOM 1173 N GLY A 73 -7.933 -0.382 -5.679 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.298 0.920 -5.628 1.00 0.00 C ATOM 1175 C GLY A 73 -7.938 1.838 -4.606 1.00 0.00 C ATOM 1176 O GLY A 73 -7.279 2.288 -3.668 1.00 0.00 O ATOM 0 H GLY A 73 -8.309 -0.639 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.242 0.796 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.350 1.385 -6.612 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.226 2.119 -4.785 1.00 0.00 N ATOM 1181 CA ALA A 74 -9.946 2.993 -3.864 1.00 0.00 C ATOM 1182 C ALA A 74 -11.455 2.909 -4.075 1.00 0.00 C ATOM 1183 O ALA A 74 -12.177 3.875 -3.832 1.00 0.00 O ATOM 1184 CB ALA A 74 -9.472 4.430 -4.023 1.00 0.00 C ATOM 0 H ALA A 74 -9.789 1.757 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.732 2.656 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.017 5.072 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.405 4.487 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.654 4.762 -5.045 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.928 1.750 -4.520 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.353 1.548 -4.752 1.00 0.00 C ATOM 1192 C LYS A 75 -13.986 0.793 -3.594 1.00 0.00 C ATOM 1193 O LYS A 75 -14.717 1.364 -2.784 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.580 0.793 -6.066 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.650 1.416 -6.949 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.550 0.357 -7.568 1.00 0.00 C ATOM 1197 CE LYS A 75 -14.763 -0.602 -8.444 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.531 -1.011 -9.653 1.00 0.00 N ATOM 0 H LYS A 75 -11.347 0.938 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.828 2.526 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.642 0.753 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.861 -0.236 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.252 2.107 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.177 1.999 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.054 -0.200 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.326 0.840 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.829 -0.130 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.498 -1.487 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.884 -1.434 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.255 -1.708 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.991 -0.177 -10.071 1.00 0.00 H new ATOM 1212 N ILE A 76 -13.693 -0.492 -3.527 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.220 -1.349 -2.473 1.00 0.00 C ATOM 1214 C ILE A 76 -13.181 -1.571 -1.377 1.00 0.00 C ATOM 1215 O ILE A 76 -12.003 -1.790 -1.660 1.00 0.00 O ATOM 1216 CB ILE A 76 -14.671 -2.714 -3.031 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -15.355 -3.538 -1.938 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -13.486 -3.471 -3.613 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -16.865 -3.450 -1.972 1.00 0.00 C ATOM 0 H ILE A 76 -13.088 -0.971 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.085 -0.839 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.391 -2.540 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.057 -4.582 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.001 -3.200 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.823 -4.432 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.043 -2.888 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.742 -3.636 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.283 -4.058 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.172 -2.413 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.229 -3.816 -2.932 1.00 0.00 H new ATOM 1231 N ASN A 77 -13.625 -1.515 -0.126 1.00 0.00 N ATOM 1232 CA ASN A 77 -12.733 -1.711 1.011 1.00 0.00 C ATOM 1233 C ASN A 77 -12.209 -3.143 1.048 1.00 0.00 C ATOM 1234 O ASN A 77 -12.674 -4.005 0.302 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.460 -1.389 2.318 1.00 0.00 C ATOM 1236 CG ASN A 77 -14.683 -2.259 2.530 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -14.665 -3.456 2.243 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.756 -1.659 3.033 1.00 0.00 N ATOM 0 H ASN A 77 -14.597 -1.336 0.126 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.886 -1.034 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.774 -1.522 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.759 -0.341 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.610 -2.193 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.726 -0.664 3.256 1.00 0.00 H new ATOM 1245 N HIS A 78 -11.238 -3.391 1.923 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.652 -4.720 2.056 1.00 0.00 C ATOM 1247 C HIS A 78 -10.981 -5.324 3.418 1.00 0.00 C ATOM 1248 O HIS A 78 -10.110 -5.454 4.280 1.00 0.00 O ATOM 1249 CB HIS A 78 -9.136 -4.656 1.865 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.708 -4.780 0.436 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -9.549 -4.524 -0.627 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -7.519 -5.136 -0.106 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -8.897 -4.717 -1.759 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.663 -5.088 -1.470 1.00 0.00 N ATOM 0 H HIS A 78 -10.842 -2.690 2.549 1.00 0.00 H new ATOM 0 HA HIS A 78 -11.080 -5.357 1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.767 -3.712 2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.671 -5.453 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -6.624 -5.407 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -9.304 -4.593 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.935 -5.304 -2.151 1.00 0.00 H new ATOM 1263 N THR A 79 -12.244 -5.693 3.606 1.00 0.00 N ATOM 1264 CA THR A 79 -12.688 -6.284 4.862 1.00 0.00 C ATOM 1265 C THR A 79 -12.611 -7.807 4.803 1.00 0.00 C ATOM 1266 O THR A 79 -12.835 -8.406 3.753 1.00 0.00 O ATOM 1267 CB THR A 79 -14.121 -5.847 5.176 1.00 0.00 C ATOM 1268 OG1 THR A 79 -14.397 -4.583 4.600 1.00 0.00 O ATOM 1269 CG2 THR A 79 -14.404 -5.748 6.660 1.00 0.00 C ATOM 0 H THR A 79 -12.977 -5.593 2.904 1.00 0.00 H new ATOM 0 HA THR A 79 -12.026 -5.934 5.654 1.00 0.00 H new ATOM 0 HB THR A 79 -14.760 -6.622 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.517 -4.684 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.436 -5.434 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.248 -6.721 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.732 -5.018 7.111 1.00 0.00 H new ATOM 1277 N THR A 80 -12.289 -8.421 5.942 1.00 0.00 N ATOM 1278 CA THR A 80 -12.171 -9.879 6.054 1.00 0.00 C ATOM 1279 C THR A 80 -10.810 -10.370 5.561 1.00 0.00 C ATOM 1280 O THR A 80 -10.245 -11.310 6.119 1.00 0.00 O ATOM 1281 CB THR A 80 -13.295 -10.600 5.293 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.941 -10.804 3.935 1.00 0.00 O ATOM 1283 CG2 THR A 80 -14.620 -9.864 5.321 1.00 0.00 C ATOM 0 H THR A 80 -12.102 -7.924 6.813 1.00 0.00 H new ATOM 0 HA THR A 80 -12.264 -10.120 7.113 1.00 0.00 H new ATOM 0 HB THR A 80 -13.420 -11.550 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.069 -9.971 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 80 -15.364 -10.433 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.950 -9.748 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 80 -14.500 -8.881 4.866 1.00 0.00 H new ATOM 1291 N LEU A 81 -10.288 -9.736 4.513 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.999 -10.122 3.952 1.00 0.00 C ATOM 1293 C LEU A 81 -9.054 -11.534 3.373 1.00 0.00 C ATOM 1294 O LEU A 81 -8.019 -12.146 3.109 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.907 -10.041 5.021 1.00 0.00 C ATOM 1296 CG LEU A 81 -7.951 -8.788 5.900 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -7.618 -9.134 7.343 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.995 -7.731 5.369 1.00 0.00 C ATOM 0 H LEU A 81 -10.738 -8.954 4.037 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.763 -9.427 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.982 -10.919 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.935 -10.088 4.530 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.963 -8.383 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.655 -8.230 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.343 -9.855 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.618 -9.565 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.039 -6.847 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.979 -8.127 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.280 -7.460 4.352 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.267 -12.046 3.175 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.448 -13.384 2.625 1.00 0.00 C ATOM 1312 C LYS A 82 -10.227 -13.392 1.117 1.00 0.00 C ATOM 1313 O LYS A 82 -9.914 -14.430 0.534 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.846 -13.911 2.955 1.00 0.00 C ATOM 1315 CG LYS A 82 -11.916 -14.669 4.271 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.286 -15.296 4.480 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.289 -16.766 4.091 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.280 -17.547 4.880 1.00 0.00 N ATOM 0 H LYS A 82 -11.136 -11.555 3.387 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.706 -14.038 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.542 -13.073 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.177 -14.567 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.153 -15.447 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.695 -13.991 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.579 -15.194 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.027 -14.760 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.515 -16.860 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.294 -17.184 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.251 -18.544 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.050 -17.479 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.233 -17.165 4.716 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.383 -12.233 0.490 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.185 -12.122 -0.948 1.00 0.00 C ATOM 1334 C ILE A 83 -8.702 -12.174 -1.281 1.00 0.00 C ATOM 1335 O ILE A 83 -8.306 -12.700 -2.321 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.788 -10.819 -1.507 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.327 -9.619 -0.677 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -12.307 -10.904 -1.528 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.407 -8.304 -1.421 1.00 0.00 C ATOM 0 H ILE A 83 -10.644 -11.362 0.952 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.698 -12.964 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.437 -10.684 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.937 -9.555 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.299 -9.783 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.718 -9.976 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.616 -11.737 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.677 -11.060 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.065 -7.498 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.775 -8.349 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -11.439 -8.117 -1.719 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.885 -11.637 -0.381 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.443 -11.633 -0.570 1.00 0.00 C ATOM 1353 C LEU A 84 -5.894 -13.048 -0.456 1.00 0.00 C ATOM 1354 O LEU A 84 -5.084 -13.477 -1.279 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.770 -10.716 0.456 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.174 -9.427 -0.122 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -5.909 -8.208 0.412 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.688 -9.335 0.195 1.00 0.00 C ATOM 0 H LEU A 84 -8.199 -11.200 0.485 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.225 -11.252 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.502 -10.450 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.977 -11.274 0.955 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.294 -9.452 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.470 -7.304 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.961 -8.266 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.824 -8.179 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.283 -8.414 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.546 -9.336 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.170 -10.190 -0.240 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.349 -13.779 0.557 1.00 0.00 N ATOM 1371 CA GLU A 85 -5.907 -15.152 0.749 1.00 0.00 C ATOM 1372 C GLU A 85 -6.545 -16.067 -0.294 1.00 0.00 C ATOM 1373 O GLU A 85 -6.137 -17.217 -0.457 1.00 0.00 O ATOM 1374 CB GLU A 85 -6.245 -15.640 2.161 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.667 -15.328 2.592 1.00 0.00 C ATOM 1376 CD GLU A 85 -8.429 -16.564 3.033 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -8.544 -17.509 2.227 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -8.909 -16.584 4.187 1.00 0.00 O ATOM 0 H GLU A 85 -7.018 -13.445 1.251 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.824 -15.182 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.088 -16.718 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.552 -15.184 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.645 -14.608 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.197 -14.855 1.766 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.547 -15.545 -1.004 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.218 -16.325 -2.024 1.00 0.00 C ATOM 1387 C GLY A 86 -7.646 -16.081 -3.409 1.00 0.00 C ATOM 1388 O GLY A 86 -7.673 -16.970 -4.260 1.00 0.00 O ATOM 0 H GLY A 86 -7.902 -14.596 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.135 -17.384 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.280 -16.081 -2.024 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.123 -14.876 -3.637 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.543 -14.537 -4.933 1.00 0.00 C ATOM 1394 C HIS A 87 -5.018 -14.543 -4.867 1.00 0.00 C ATOM 1395 O HIS A 87 -4.345 -14.831 -5.857 1.00 0.00 O ATOM 1396 CB HIS A 87 -7.053 -13.171 -5.414 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.396 -11.996 -4.749 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -5.053 -11.709 -4.879 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -6.909 -11.030 -3.950 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -4.769 -10.618 -4.189 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -5.878 -10.187 -3.616 1.00 0.00 N ATOM 0 H HIS A 87 -7.090 -14.126 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.856 -15.296 -5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.898 -13.097 -6.490 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.128 -13.117 -5.242 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.384 -12.254 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.938 -10.940 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.796 -10.157 -4.108 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.479 -14.223 -3.695 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.034 -14.191 -3.502 1.00 0.00 C ATOM 1412 C LEU A 88 -2.624 -15.056 -2.313 1.00 0.00 C ATOM 1413 O LEU A 88 -2.311 -16.246 -2.528 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.557 -12.753 -3.289 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.058 -12.600 -3.028 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.285 -12.604 -4.338 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -0.782 -11.322 -2.249 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.620 -14.535 -1.178 1.00 0.00 O ATOM 0 H LEU A 88 -5.021 -13.982 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.565 -14.593 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.819 -12.165 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.102 -12.326 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.724 -13.448 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.780 -12.494 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.459 -13.545 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.621 -11.776 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.289 -11.228 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.131 -10.464 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.306 -11.358 -1.294 1.00 0.00 H new TER 1430 LEU A 88