USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 476 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 Single : A 1 THR N :NH3+ -153:sc= 0.18 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0845 F(o=-1.2,f=-0.085) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= -1.92 (180deg=-2.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.021 (180deg=-0.143) USER MOD Single : A 35 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 44 THR OG1 : rot 84:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0819 (180deg=-0.252) USER MOD Single : A 51 THR OG1 : rot 72:sc= 0.973 USER MOD Single : A 53 THR OG1 : rot 52:sc= 1.05 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0816 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -1.665 4.262 -15.869 1.00 0.00 N ATOM 2 CA THR A 1 -2.284 5.203 -14.900 1.00 0.00 C ATOM 3 C THR A 1 -1.549 5.194 -13.568 1.00 0.00 C ATOM 4 O THR A 1 -1.154 4.135 -13.075 1.00 0.00 O ATOM 5 CB THR A 1 -3.748 4.809 -14.703 1.00 0.00 C ATOM 6 OG1 THR A 1 -3.881 3.401 -14.628 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.657 5.299 -15.810 1.00 0.00 C ATOM 0 H1 THR A 1 -1.850 4.590 -16.838 1.00 0.00 H new ATOM 0 H2 THR A 1 -0.639 4.222 -15.707 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.073 3.314 -15.741 1.00 0.00 H new ATOM 0 HA THR A 1 -2.219 6.216 -15.298 1.00 0.00 H new ATOM 0 HB THR A 1 -4.052 5.286 -13.771 1.00 0.00 H new ATOM 0 HG1 THR A 1 -4.824 3.168 -14.500 1.00 0.00 H new ATOM 0 HG21 THR A 1 -5.681 4.984 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 1 -4.615 6.387 -15.860 1.00 0.00 H new ATOM 0 HG23 THR A 1 -4.331 4.879 -16.761 1.00 0.00 H new ATOM 17 N THR A 2 -1.365 6.370 -12.982 1.00 0.00 N ATOM 18 CA THR A 2 -0.674 6.493 -11.704 1.00 0.00 C ATOM 19 C THR A 2 -0.981 7.840 -11.050 1.00 0.00 C ATOM 20 O THR A 2 -0.885 8.890 -11.684 1.00 0.00 O ATOM 21 CB THR A 2 0.834 6.345 -11.903 1.00 0.00 C ATOM 22 OG1 THR A 2 1.261 7.033 -13.064 1.00 0.00 O ATOM 23 CG2 THR A 2 1.278 4.905 -12.032 1.00 0.00 C ATOM 0 H THR A 2 -1.686 7.256 -13.373 1.00 0.00 H new ATOM 0 HA THR A 2 -1.028 5.699 -11.047 1.00 0.00 H new ATOM 0 HB THR A 2 1.286 6.771 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.229 6.926 -13.170 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.358 4.868 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.010 4.359 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.786 4.448 -12.891 1.00 0.00 H new ATOM 31 N TYR A 3 -1.345 7.793 -9.769 1.00 0.00 N ATOM 32 CA TYR A 3 -1.663 9.013 -9.028 1.00 0.00 C ATOM 33 C TYR A 3 -0.393 9.709 -8.538 1.00 0.00 C ATOM 34 O TYR A 3 -0.448 10.840 -8.054 1.00 0.00 O ATOM 35 CB TYR A 3 -2.567 8.680 -7.840 1.00 0.00 C ATOM 36 CG TYR A 3 -3.615 9.729 -7.558 1.00 0.00 C ATOM 37 CD1 TYR A 3 -3.270 10.948 -6.990 1.00 0.00 C ATOM 38 CD2 TYR A 3 -4.952 9.508 -7.871 1.00 0.00 C ATOM 39 CE1 TYR A 3 -4.227 11.919 -6.741 1.00 0.00 C ATOM 40 CE2 TYR A 3 -5.913 10.468 -7.619 1.00 0.00 C ATOM 41 CZ TYR A 3 -5.545 11.666 -7.049 1.00 0.00 C ATOM 42 OH TYR A 3 -6.500 12.625 -6.800 1.00 0.00 O ATOM 0 H TYR A 3 -1.427 6.933 -9.227 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.184 9.693 -9.701 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.062 7.727 -8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.950 8.549 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.238 11.143 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.244 8.570 -8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.941 12.867 -6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.947 10.280 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.379 12.290 -7.075 1.00 0.00 H new ATOM 52 N LYS A 4 0.748 9.029 -8.678 1.00 0.00 N ATOM 53 CA LYS A 4 2.051 9.561 -8.261 1.00 0.00 C ATOM 54 C LYS A 4 1.948 10.452 -7.024 1.00 0.00 C ATOM 55 O LYS A 4 2.044 11.674 -7.119 1.00 0.00 O ATOM 56 CB LYS A 4 2.729 10.331 -9.401 1.00 0.00 C ATOM 57 CG LYS A 4 1.764 10.992 -10.358 1.00 0.00 C ATOM 58 CD LYS A 4 2.189 12.414 -10.687 1.00 0.00 C ATOM 59 CE LYS A 4 1.631 13.410 -9.683 1.00 0.00 C ATOM 60 NZ LYS A 4 1.864 14.820 -10.105 1.00 0.00 N ATOM 0 H LYS A 4 0.796 8.094 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 4 2.664 8.698 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.380 11.094 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.366 9.645 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.704 10.408 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.766 11.002 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.277 12.476 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.846 12.675 -11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.561 13.240 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.094 13.242 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.468 15.466 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.886 14.991 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.401 14.989 -11.021 1.00 0.00 H new ATOM 74 N LEU A 5 1.765 9.836 -5.868 1.00 0.00 N ATOM 75 CA LEU A 5 1.664 10.572 -4.611 1.00 0.00 C ATOM 76 C LEU A 5 2.899 10.337 -3.749 1.00 0.00 C ATOM 77 O LEU A 5 3.681 11.251 -3.494 1.00 0.00 O ATOM 78 CB LEU A 5 0.411 10.155 -3.839 1.00 0.00 C ATOM 79 CG LEU A 5 -0.888 10.167 -4.648 1.00 0.00 C ATOM 80 CD1 LEU A 5 -1.578 8.817 -4.577 1.00 0.00 C ATOM 81 CD2 LEU A 5 -1.815 11.273 -4.160 1.00 0.00 C ATOM 0 H LEU A 5 1.683 8.824 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 5 1.595 11.633 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.565 9.151 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.293 10.820 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.639 10.366 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.499 8.848 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.919 8.050 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.813 8.582 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.733 11.264 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.056 11.109 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.321 12.238 -4.273 1.00 0.00 H new ATOM 93 N ILE A 6 3.070 9.096 -3.305 1.00 0.00 N ATOM 94 CA ILE A 6 4.208 8.723 -2.473 1.00 0.00 C ATOM 95 C ILE A 6 4.096 9.334 -1.080 1.00 0.00 C ATOM 96 O ILE A 6 5.020 9.988 -0.602 1.00 0.00 O ATOM 97 CB ILE A 6 5.545 9.155 -3.105 1.00 0.00 C ATOM 98 CG1 ILE A 6 5.582 8.764 -4.586 1.00 0.00 C ATOM 99 CG2 ILE A 6 6.715 8.544 -2.364 1.00 0.00 C ATOM 100 CD1 ILE A 6 6.862 9.168 -5.286 1.00 0.00 C ATOM 0 H ILE A 6 2.431 8.328 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 6 4.192 7.636 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 6 5.627 10.239 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.455 7.685 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.737 9.226 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.647 8.864 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.698 8.870 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.644 7.457 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.818 8.860 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.980 10.250 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.710 8.685 -4.800 1.00 0.00 H new ATOM 112 N LEU A 7 2.956 9.113 -0.434 1.00 0.00 N ATOM 113 CA LEU A 7 2.724 9.637 0.906 1.00 0.00 C ATOM 114 C LEU A 7 2.250 8.547 1.867 1.00 0.00 C ATOM 115 O LEU A 7 1.973 8.816 3.033 1.00 0.00 O ATOM 116 CB LEU A 7 1.696 10.768 0.856 1.00 0.00 C ATOM 117 CG LEU A 7 0.341 10.391 0.266 1.00 0.00 C ATOM 118 CD1 LEU A 7 -0.646 10.034 1.363 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.202 11.525 -0.584 1.00 0.00 C ATOM 0 H LEU A 7 2.179 8.575 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 7 3.673 10.021 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.542 11.142 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.112 11.590 0.273 1.00 0.00 H new ATOM 0 HG LEU A 7 0.479 9.515 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.605 9.769 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.265 9.188 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.778 10.889 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.169 11.239 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.320 12.417 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.492 11.735 -1.398 1.00 0.00 H new ATOM 131 N ASN A 8 2.156 7.311 1.375 1.00 0.00 N ATOM 132 CA ASN A 8 1.715 6.194 2.204 1.00 0.00 C ATOM 133 C ASN A 8 2.218 4.864 1.648 1.00 0.00 C ATOM 134 O ASN A 8 1.520 3.851 1.708 1.00 0.00 O ATOM 135 CB ASN A 8 0.187 6.176 2.302 1.00 0.00 C ATOM 136 CG ASN A 8 -0.478 5.914 0.965 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.527 6.935 0.118 1.00 0.00 O flip ATOM 138 ND2 ASN A 8 -0.941 4.805 0.696 1.00 0.00 N flip ATOM 0 H ASN A 8 2.379 7.061 0.411 1.00 0.00 H new ATOM 0 HA ASN A 8 2.135 6.329 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.119 5.409 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.160 7.132 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.881 4.048 1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.384 4.643 -0.208 1.00 0.00 H new ATOM 145 N LEU A 9 3.429 4.878 1.102 1.00 0.00 N ATOM 146 CA LEU A 9 4.029 3.687 0.530 1.00 0.00 C ATOM 147 C LEU A 9 4.733 2.859 1.599 1.00 0.00 C ATOM 148 O LEU A 9 4.541 1.646 1.687 1.00 0.00 O ATOM 149 CB LEU A 9 5.016 4.112 -0.549 1.00 0.00 C ATOM 150 CG LEU A 9 5.845 2.993 -1.170 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.288 3.403 -2.564 1.00 0.00 C ATOM 152 CD2 LEU A 9 7.046 2.663 -0.294 1.00 0.00 C ATOM 0 H LEU A 9 4.015 5.711 1.045 1.00 0.00 H new ATOM 0 HA LEU A 9 3.248 3.063 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.463 4.612 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.697 4.848 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 9 5.232 2.095 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.881 2.603 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.411 3.592 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.890 4.309 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.624 1.862 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.673 3.548 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.702 2.342 0.689 1.00 0.00 H new ATOM 164 N LYS A 10 5.545 3.525 2.413 1.00 0.00 N ATOM 165 CA LYS A 10 6.282 2.861 3.483 1.00 0.00 C ATOM 166 C LYS A 10 5.339 2.043 4.357 1.00 0.00 C ATOM 167 O LYS A 10 5.720 1.008 4.904 1.00 0.00 O ATOM 168 CB LYS A 10 7.023 3.890 4.336 1.00 0.00 C ATOM 169 CG LYS A 10 7.889 3.265 5.420 1.00 0.00 C ATOM 170 CD LYS A 10 7.641 3.908 6.773 1.00 0.00 C ATOM 171 CE LYS A 10 7.955 2.950 7.912 1.00 0.00 C ATOM 172 NZ LYS A 10 8.550 3.645 9.076 1.00 0.00 N ATOM 0 H LYS A 10 5.710 4.530 2.352 1.00 0.00 H new ATOM 0 HA LYS A 10 7.009 2.188 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.650 4.503 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.297 4.556 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.682 2.197 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.940 3.371 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.255 4.803 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.601 4.226 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.041 2.443 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.642 2.181 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.748 2.955 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.436 4.108 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.884 4.362 9.430 1.00 0.00 H new ATOM 186 N GLN A 11 4.105 2.517 4.481 1.00 0.00 N ATOM 187 CA GLN A 11 3.103 1.832 5.284 1.00 0.00 C ATOM 188 C GLN A 11 2.372 0.789 4.451 1.00 0.00 C ATOM 189 O GLN A 11 2.053 -0.296 4.937 1.00 0.00 O ATOM 190 CB GLN A 11 2.108 2.833 5.859 1.00 0.00 C ATOM 191 CG GLN A 11 1.490 2.391 7.177 1.00 0.00 C ATOM 192 CD GLN A 11 0.854 3.538 7.939 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.207 4.406 7.352 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.035 3.546 9.255 1.00 0.00 N ATOM 0 H GLN A 11 3.776 3.373 4.035 1.00 0.00 H new ATOM 0 HA GLN A 11 3.610 1.328 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.611 3.789 6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.313 3.000 5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.737 1.628 6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.258 1.930 7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.579 2.806 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.630 4.292 9.821 1.00 0.00 H new ATOM 203 N ALA A 12 2.120 1.121 3.191 1.00 0.00 N ATOM 204 CA ALA A 12 1.438 0.209 2.287 1.00 0.00 C ATOM 205 C ALA A 12 2.176 -1.122 2.214 1.00 0.00 C ATOM 206 O ALA A 12 1.558 -2.182 2.153 1.00 0.00 O ATOM 207 CB ALA A 12 1.315 0.829 0.901 1.00 0.00 C ATOM 0 H ALA A 12 2.378 2.015 2.774 1.00 0.00 H new ATOM 0 HA ALA A 12 0.435 0.024 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.802 0.134 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.745 1.756 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.309 1.041 0.508 1.00 0.00 H new ATOM 213 N LYS A 13 3.505 -1.055 2.230 1.00 0.00 N ATOM 214 CA LYS A 13 4.326 -2.260 2.172 1.00 0.00 C ATOM 215 C LYS A 13 4.513 -2.850 3.567 1.00 0.00 C ATOM 216 O LYS A 13 4.543 -4.070 3.733 1.00 0.00 O ATOM 217 CB LYS A 13 5.670 -1.974 1.477 1.00 0.00 C ATOM 218 CG LYS A 13 6.843 -1.667 2.400 1.00 0.00 C ATOM 219 CD LYS A 13 7.247 -0.212 2.282 1.00 0.00 C ATOM 220 CE LYS A 13 8.754 -0.039 2.391 1.00 0.00 C ATOM 221 NZ LYS A 13 9.121 1.223 3.091 1.00 0.00 N ATOM 0 H LYS A 13 4.033 -0.184 2.282 1.00 0.00 H new ATOM 0 HA LYS A 13 3.808 -3.008 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.931 -2.837 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.535 -1.131 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.570 -1.892 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.689 -2.307 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.903 0.186 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.756 0.367 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.179 -0.888 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.192 -0.041 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.141 1.223 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.889 2.036 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.590 1.293 3.983 1.00 0.00 H new ATOM 235 N GLU A 14 4.613 -1.981 4.573 1.00 0.00 N ATOM 236 CA GLU A 14 4.766 -2.437 5.952 1.00 0.00 C ATOM 237 C GLU A 14 3.585 -3.326 6.314 1.00 0.00 C ATOM 238 O GLU A 14 3.749 -4.453 6.790 1.00 0.00 O ATOM 239 CB GLU A 14 4.847 -1.247 6.910 1.00 0.00 C ATOM 240 CG GLU A 14 6.243 -0.659 7.037 1.00 0.00 C ATOM 241 CD GLU A 14 6.934 -1.071 8.322 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.966 -2.284 8.617 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.443 -0.183 9.031 1.00 0.00 O ATOM 0 H GLU A 14 4.591 -0.968 4.460 1.00 0.00 H new ATOM 0 HA GLU A 14 5.693 -3.003 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.164 -0.469 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.504 -1.561 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.846 -0.977 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.181 0.428 6.995 1.00 0.00 H new ATOM 250 N GLU A 15 2.389 -2.826 6.040 1.00 0.00 N ATOM 251 CA GLU A 15 1.178 -3.585 6.290 1.00 0.00 C ATOM 252 C GLU A 15 1.165 -4.804 5.382 1.00 0.00 C ATOM 253 O GLU A 15 0.623 -5.854 5.727 1.00 0.00 O ATOM 254 CB GLU A 15 -0.056 -2.727 6.017 1.00 0.00 C ATOM 255 CG GLU A 15 -1.363 -3.422 6.364 1.00 0.00 C ATOM 256 CD GLU A 15 -2.142 -2.698 7.446 1.00 0.00 C ATOM 257 OE1 GLU A 15 -1.506 -2.182 8.388 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.386 -2.649 7.350 1.00 0.00 O ATOM 0 H GLU A 15 2.234 -1.899 5.645 1.00 0.00 H new ATOM 0 HA GLU A 15 1.158 -3.896 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.019 -1.803 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.070 -2.448 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.979 -3.498 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.152 -4.440 6.693 1.00 0.00 H new ATOM 265 N ALA A 16 1.772 -4.643 4.207 1.00 0.00 N ATOM 266 CA ALA A 16 1.844 -5.709 3.226 1.00 0.00 C ATOM 267 C ALA A 16 2.739 -6.850 3.699 1.00 0.00 C ATOM 268 O ALA A 16 2.389 -8.020 3.548 1.00 0.00 O ATOM 269 CB ALA A 16 2.342 -5.171 1.896 1.00 0.00 C ATOM 0 H ALA A 16 2.222 -3.775 3.916 1.00 0.00 H new ATOM 0 HA ALA A 16 0.837 -6.106 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.391 -5.983 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.658 -4.402 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.335 -4.741 2.026 1.00 0.00 H new ATOM 275 N ILE A 17 3.896 -6.516 4.275 1.00 0.00 N ATOM 276 CA ILE A 17 4.810 -7.544 4.757 1.00 0.00 C ATOM 277 C ILE A 17 4.126 -8.386 5.819 1.00 0.00 C ATOM 278 O ILE A 17 4.319 -9.597 5.886 1.00 0.00 O ATOM 279 CB ILE A 17 6.125 -6.954 5.310 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.075 -8.074 5.739 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.865 -6.005 6.468 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.530 -8.954 4.598 1.00 0.00 C ATOM 0 H ILE A 17 4.215 -5.558 4.416 1.00 0.00 H new ATOM 0 HA ILE A 17 5.075 -8.169 3.904 1.00 0.00 H new ATOM 0 HB ILE A 17 6.595 -6.382 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.950 -7.633 6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.579 -8.692 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.812 -5.608 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.233 -5.183 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.363 -6.542 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.201 -9.725 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.663 -9.424 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.055 -8.349 3.859 1.00 0.00 H new ATOM 294 N LYS A 18 3.289 -7.741 6.617 1.00 0.00 N ATOM 295 CA LYS A 18 2.535 -8.437 7.646 1.00 0.00 C ATOM 296 C LYS A 18 1.434 -9.261 6.989 1.00 0.00 C ATOM 297 O LYS A 18 1.052 -10.324 7.477 1.00 0.00 O ATOM 298 CB LYS A 18 1.931 -7.441 8.640 1.00 0.00 C ATOM 299 CG LYS A 18 2.958 -6.518 9.273 1.00 0.00 C ATOM 300 CD LYS A 18 2.336 -5.193 9.690 1.00 0.00 C ATOM 301 CE LYS A 18 2.100 -5.131 11.191 1.00 0.00 C ATOM 302 NZ LYS A 18 0.653 -5.000 11.521 1.00 0.00 N ATOM 0 H LYS A 18 3.115 -6.737 6.571 1.00 0.00 H new ATOM 0 HA LYS A 18 3.206 -9.097 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.180 -6.839 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.416 -7.992 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.398 -7.004 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.768 -6.335 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.989 -4.374 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.390 -5.054 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.499 -6.031 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.646 -4.286 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.535 -4.961 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.278 -4.128 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.135 -5.819 11.144 1.00 0.00 H new ATOM 316 N GLU A 19 0.928 -8.742 5.872 1.00 0.00 N ATOM 317 CA GLU A 19 -0.136 -9.396 5.116 1.00 0.00 C ATOM 318 C GLU A 19 0.301 -10.758 4.588 1.00 0.00 C ATOM 319 O GLU A 19 -0.382 -11.760 4.803 1.00 0.00 O ATOM 320 CB GLU A 19 -0.560 -8.496 3.949 1.00 0.00 C ATOM 321 CG GLU A 19 -1.980 -7.963 4.059 1.00 0.00 C ATOM 322 CD GLU A 19 -2.121 -6.904 5.136 1.00 0.00 C ATOM 323 OE1 GLU A 19 -1.940 -7.238 6.325 1.00 0.00 O ATOM 324 OE2 GLU A 19 -2.412 -5.740 4.789 1.00 0.00 O ATOM 0 H GLU A 19 1.243 -7.860 5.468 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.979 -9.557 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.129 -7.654 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.465 -9.057 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.283 -7.543 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.659 -8.788 4.274 1.00 0.00 H new ATOM 331 N LEU A 20 1.431 -10.797 3.890 1.00 0.00 N ATOM 332 CA LEU A 20 1.926 -12.052 3.337 1.00 0.00 C ATOM 333 C LEU A 20 2.568 -12.911 4.421 1.00 0.00 C ATOM 334 O LEU A 20 2.473 -14.136 4.387 1.00 0.00 O ATOM 335 CB LEU A 20 2.929 -11.799 2.207 1.00 0.00 C ATOM 336 CG LEU A 20 2.818 -12.758 1.011 1.00 0.00 C ATOM 337 CD1 LEU A 20 2.429 -11.998 -0.241 1.00 0.00 C ATOM 338 CD2 LEU A 20 4.121 -13.514 0.797 1.00 0.00 C ATOM 0 H LEU A 20 2.016 -9.984 3.695 1.00 0.00 H new ATOM 0 HA LEU A 20 1.071 -12.589 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.798 -10.778 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.937 -11.867 2.615 1.00 0.00 H new ATOM 0 HG LEU A 20 2.038 -13.487 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.355 -12.691 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.466 -11.511 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.186 -11.245 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.016 -14.186 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.926 -12.805 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.356 -14.094 1.690 1.00 0.00 H new ATOM 350 N VAL A 21 3.216 -12.266 5.388 1.00 0.00 N ATOM 351 CA VAL A 21 3.855 -12.991 6.481 1.00 0.00 C ATOM 352 C VAL A 21 2.816 -13.773 7.271 1.00 0.00 C ATOM 353 O VAL A 21 3.104 -14.843 7.808 1.00 0.00 O ATOM 354 CB VAL A 21 4.627 -12.040 7.425 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.943 -12.716 8.753 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.905 -11.555 6.759 1.00 0.00 C ATOM 0 H VAL A 21 3.312 -11.252 5.437 1.00 0.00 H new ATOM 0 HA VAL A 21 4.574 -13.682 6.041 1.00 0.00 H new ATOM 0 HB VAL A 21 3.989 -11.180 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.486 -12.022 9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.014 -13.011 9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.555 -13.600 8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.437 -10.887 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.538 -12.410 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.657 -11.020 5.842 1.00 0.00 H new ATOM 366 N ASP A 22 1.603 -13.241 7.325 1.00 0.00 N ATOM 367 CA ASP A 22 0.523 -13.899 8.035 1.00 0.00 C ATOM 368 C ASP A 22 -0.235 -14.832 7.098 1.00 0.00 C ATOM 369 O ASP A 22 -0.671 -15.911 7.500 1.00 0.00 O ATOM 370 CB ASP A 22 -0.430 -12.868 8.643 1.00 0.00 C ATOM 371 CG ASP A 22 -0.098 -12.556 10.089 1.00 0.00 C ATOM 372 OD1 ASP A 22 1.103 -12.423 10.406 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.036 -12.444 10.905 1.00 0.00 O ATOM 0 H ASP A 22 1.346 -12.357 6.886 1.00 0.00 H new ATOM 0 HA ASP A 22 0.953 -14.489 8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.389 -11.950 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.452 -13.241 8.580 1.00 0.00 H new ATOM 378 N ALA A 23 -0.382 -14.413 5.844 1.00 0.00 N ATOM 379 CA ALA A 23 -1.081 -15.220 4.850 1.00 0.00 C ATOM 380 C ALA A 23 -0.190 -16.348 4.328 1.00 0.00 C ATOM 381 O ALA A 23 -0.677 -17.294 3.709 1.00 0.00 O ATOM 382 CB ALA A 23 -1.552 -14.344 3.699 1.00 0.00 C ATOM 0 H ALA A 23 -0.028 -13.523 5.494 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.949 -15.672 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.072 -14.958 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.230 -13.579 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.692 -13.866 3.230 1.00 0.00 H new ATOM 388 N GLY A 24 1.113 -16.247 4.592 1.00 0.00 N ATOM 389 CA GLY A 24 2.053 -17.267 4.154 1.00 0.00 C ATOM 390 C GLY A 24 1.920 -17.614 2.678 1.00 0.00 C ATOM 391 O GLY A 24 0.982 -18.308 2.284 1.00 0.00 O ATOM 0 H GLY A 24 1.535 -15.472 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.069 -16.923 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.902 -18.169 4.747 1.00 0.00 H new ATOM 395 N ILE A 25 2.862 -17.147 1.854 1.00 0.00 N ATOM 396 CA ILE A 25 2.829 -17.438 0.417 1.00 0.00 C ATOM 397 C ILE A 25 4.073 -16.908 -0.295 1.00 0.00 C ATOM 398 O ILE A 25 5.027 -16.465 0.345 1.00 0.00 O ATOM 399 CB ILE A 25 1.559 -16.874 -0.284 1.00 0.00 C ATOM 400 CG1 ILE A 25 0.794 -15.889 0.609 1.00 0.00 C ATOM 401 CG2 ILE A 25 0.644 -18.017 -0.703 1.00 0.00 C ATOM 402 CD1 ILE A 25 -0.175 -15.014 -0.154 1.00 0.00 C ATOM 0 H ILE A 25 3.650 -16.572 2.152 1.00 0.00 H new ATOM 0 HA ILE A 25 2.804 -18.525 0.341 1.00 0.00 H new ATOM 0 HB ILE A 25 1.889 -16.326 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.247 -16.448 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.509 -15.255 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.242 -17.613 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.174 -18.672 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.345 -18.585 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.681 -14.342 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.369 -14.429 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.912 -15.640 -0.657 1.00 0.00 H new ATOM 414 N ALA A 26 4.056 -16.977 -1.629 1.00 0.00 N ATOM 415 CA ALA A 26 5.175 -16.528 -2.455 1.00 0.00 C ATOM 416 C ALA A 26 5.786 -15.232 -1.941 1.00 0.00 C ATOM 417 O ALA A 26 5.314 -14.140 -2.260 1.00 0.00 O ATOM 418 CB ALA A 26 4.730 -16.352 -3.901 1.00 0.00 C ATOM 0 H ALA A 26 3.268 -17.344 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 26 5.943 -17.300 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.575 -16.017 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.363 -17.303 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.933 -15.610 -3.949 1.00 0.00 H new ATOM 424 N GLU A 27 6.853 -15.358 -1.158 1.00 0.00 N ATOM 425 CA GLU A 27 7.541 -14.191 -0.617 1.00 0.00 C ATOM 426 C GLU A 27 7.910 -13.219 -1.737 1.00 0.00 C ATOM 427 O GLU A 27 8.044 -12.016 -1.516 1.00 0.00 O ATOM 428 CB GLU A 27 8.796 -14.616 0.147 1.00 0.00 C ATOM 429 CG GLU A 27 8.500 -15.417 1.405 1.00 0.00 C ATOM 430 CD GLU A 27 9.622 -15.338 2.423 1.00 0.00 C ATOM 431 OE1 GLU A 27 9.621 -14.386 3.232 1.00 0.00 O ATOM 432 OE2 GLU A 27 10.498 -16.226 2.411 1.00 0.00 O ATOM 0 H GLU A 27 7.259 -16.253 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 27 6.866 -13.686 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.429 -15.211 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.365 -13.727 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.578 -15.050 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.331 -16.460 1.136 1.00 0.00 H new ATOM 439 N LYS A 28 8.059 -13.756 -2.947 1.00 0.00 N ATOM 440 CA LYS A 28 8.393 -12.949 -4.118 1.00 0.00 C ATOM 441 C LYS A 28 7.521 -11.693 -4.166 1.00 0.00 C ATOM 442 O LYS A 28 8.010 -10.579 -4.394 1.00 0.00 O ATOM 443 CB LYS A 28 8.205 -13.794 -5.392 1.00 0.00 C ATOM 444 CG LYS A 28 8.004 -12.991 -6.671 1.00 0.00 C ATOM 445 CD LYS A 28 9.203 -13.105 -7.596 1.00 0.00 C ATOM 446 CE LYS A 28 9.016 -12.276 -8.858 1.00 0.00 C ATOM 447 NZ LYS A 28 8.613 -13.116 -10.019 1.00 0.00 N ATOM 0 H LYS A 28 7.953 -14.752 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 28 9.434 -12.632 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.077 -14.436 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.345 -14.449 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.111 -13.344 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.835 -11.944 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.100 -12.775 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.358 -14.150 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.258 -11.512 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.945 -11.755 -9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.496 -12.514 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.348 -13.829 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.714 -13.593 -9.807 1.00 0.00 H new ATOM 461 N TYR A 29 6.227 -11.875 -3.936 1.00 0.00 N ATOM 462 CA TYR A 29 5.302 -10.758 -3.946 1.00 0.00 C ATOM 463 C TYR A 29 5.681 -9.756 -2.861 1.00 0.00 C ATOM 464 O TYR A 29 5.485 -8.548 -3.013 1.00 0.00 O ATOM 465 CB TYR A 29 3.868 -11.240 -3.767 1.00 0.00 C ATOM 466 CG TYR A 29 3.105 -11.326 -5.069 1.00 0.00 C ATOM 467 CD1 TYR A 29 3.149 -12.478 -5.845 1.00 0.00 C ATOM 468 CD2 TYR A 29 2.342 -10.258 -5.522 1.00 0.00 C ATOM 469 CE1 TYR A 29 2.453 -12.562 -7.036 1.00 0.00 C ATOM 470 CE2 TYR A 29 1.643 -10.334 -6.712 1.00 0.00 C ATOM 471 CZ TYR A 29 1.703 -11.487 -7.465 1.00 0.00 C ATOM 472 OH TYR A 29 1.009 -11.567 -8.651 1.00 0.00 O ATOM 0 H TYR A 29 5.800 -12.781 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 29 5.366 -10.261 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.877 -12.221 -3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.345 -10.564 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.736 -13.321 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.294 -9.353 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.496 -13.465 -7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.053 -9.495 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 29 0.531 -10.726 -8.808 1.00 0.00 H new ATOM 482 N ILE A 30 6.261 -10.258 -1.776 1.00 0.00 N ATOM 483 CA ILE A 30 6.704 -9.392 -0.697 1.00 0.00 C ATOM 484 C ILE A 30 7.776 -8.446 -1.215 1.00 0.00 C ATOM 485 O ILE A 30 7.953 -7.347 -0.698 1.00 0.00 O ATOM 486 CB ILE A 30 7.273 -10.186 0.496 1.00 0.00 C ATOM 487 CG1 ILE A 30 6.269 -11.236 0.970 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.636 -9.244 1.636 1.00 0.00 C ATOM 489 CD1 ILE A 30 6.752 -12.037 2.161 1.00 0.00 C ATOM 0 H ILE A 30 6.433 -11.252 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 30 5.833 -8.838 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 30 8.177 -10.699 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.333 -10.741 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.052 -11.917 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.036 -9.820 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.386 -8.531 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.746 -8.706 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.990 -12.763 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.672 -12.560 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.942 -11.365 2.998 1.00 0.00 H new ATOM 501 N LYS A 31 8.487 -8.882 -2.254 1.00 0.00 N ATOM 502 CA LYS A 31 9.532 -8.065 -2.849 1.00 0.00 C ATOM 503 C LYS A 31 8.926 -6.931 -3.669 1.00 0.00 C ATOM 504 O LYS A 31 9.454 -5.820 -3.675 1.00 0.00 O ATOM 505 CB LYS A 31 10.463 -8.912 -3.724 1.00 0.00 C ATOM 506 CG LYS A 31 11.539 -8.098 -4.431 1.00 0.00 C ATOM 507 CD LYS A 31 11.733 -8.557 -5.867 1.00 0.00 C ATOM 508 CE LYS A 31 13.189 -8.463 -6.290 1.00 0.00 C ATOM 509 NZ LYS A 31 14.032 -9.491 -5.618 1.00 0.00 N ATOM 0 H LYS A 31 8.356 -9.792 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 31 10.121 -7.635 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.941 -9.670 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.868 -9.439 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.265 -7.043 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.480 -8.189 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.389 -9.586 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.120 -7.947 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.261 -8.585 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.572 -7.470 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.918 -9.614 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.248 -9.183 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.519 -10.395 -5.588 1.00 0.00 H new ATOM 523 N LEU A 32 7.814 -7.200 -4.355 1.00 0.00 N ATOM 524 CA LEU A 32 7.171 -6.154 -5.157 1.00 0.00 C ATOM 525 C LEU A 32 6.713 -5.013 -4.254 1.00 0.00 C ATOM 526 O LEU A 32 6.719 -3.848 -4.656 1.00 0.00 O ATOM 527 CB LEU A 32 5.977 -6.672 -5.976 1.00 0.00 C ATOM 528 CG LEU A 32 5.783 -8.183 -5.997 1.00 0.00 C ATOM 529 CD1 LEU A 32 4.501 -8.548 -6.729 1.00 0.00 C ATOM 530 CD2 LEU A 32 6.980 -8.871 -6.636 1.00 0.00 C ATOM 0 H LEU A 32 7.349 -8.107 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 32 7.919 -5.800 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.068 -6.215 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.090 -6.326 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 32 5.700 -8.531 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.380 -9.631 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.651 -8.090 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.552 -8.185 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.820 -9.949 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.099 -8.517 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.880 -8.640 -6.066 1.00 0.00 H new ATOM 542 N ILE A 33 6.327 -5.359 -3.033 1.00 0.00 N ATOM 543 CA ILE A 33 5.874 -4.364 -2.061 1.00 0.00 C ATOM 544 C ILE A 33 7.029 -3.872 -1.202 1.00 0.00 C ATOM 545 O ILE A 33 7.188 -2.672 -0.982 1.00 0.00 O ATOM 546 CB ILE A 33 4.781 -4.916 -1.129 1.00 0.00 C ATOM 547 CG1 ILE A 33 5.094 -6.355 -0.730 1.00 0.00 C ATOM 548 CG2 ILE A 33 3.413 -4.817 -1.785 1.00 0.00 C ATOM 549 CD1 ILE A 33 4.087 -6.945 0.215 1.00 0.00 C ATOM 0 H ILE A 33 6.317 -6.319 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 33 5.461 -3.540 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 33 4.763 -4.310 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.143 -6.971 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.080 -6.389 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.656 -5.213 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.191 -3.773 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.410 -5.394 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.371 -7.969 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.055 -6.352 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.103 -6.943 -0.254 1.00 0.00 H new ATOM 561 N ALA A 34 7.831 -4.812 -0.710 1.00 0.00 N ATOM 562 CA ALA A 34 8.967 -4.477 0.134 1.00 0.00 C ATOM 563 C ALA A 34 9.954 -3.585 -0.611 1.00 0.00 C ATOM 564 O ALA A 34 10.636 -2.757 -0.008 1.00 0.00 O ATOM 565 CB ALA A 34 9.660 -5.739 0.624 1.00 0.00 C ATOM 0 H ALA A 34 7.713 -5.810 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 34 8.594 -3.927 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.507 -5.468 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.957 -6.340 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.013 -6.315 -0.231 1.00 0.00 H new ATOM 571 N ASN A 35 10.020 -3.759 -1.929 1.00 0.00 N ATOM 572 CA ASN A 35 10.921 -2.968 -2.758 1.00 0.00 C ATOM 573 C ASN A 35 10.290 -1.621 -3.115 1.00 0.00 C ATOM 574 O ASN A 35 10.977 -0.710 -3.578 1.00 0.00 O ATOM 575 CB ASN A 35 11.294 -3.746 -4.023 1.00 0.00 C ATOM 576 CG ASN A 35 12.135 -2.928 -4.986 1.00 0.00 C ATOM 577 OD1 ASN A 35 13.246 -2.512 -4.658 1.00 0.00 O ATOM 578 ND2 ASN A 35 11.607 -2.692 -6.181 1.00 0.00 N ATOM 0 H ASN A 35 9.461 -4.440 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 35 11.831 -2.771 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.841 -4.646 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.384 -4.070 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.126 -2.147 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.682 -3.056 -6.411 1.00 0.00 H new ATOM 585 N ALA A 36 8.983 -1.498 -2.891 1.00 0.00 N ATOM 586 CA ALA A 36 8.271 -0.256 -3.180 1.00 0.00 C ATOM 587 C ALA A 36 8.426 0.140 -4.654 1.00 0.00 C ATOM 588 O ALA A 36 8.350 -0.716 -5.534 1.00 0.00 O ATOM 589 CB ALA A 36 8.770 0.846 -2.255 1.00 0.00 C ATOM 0 H ALA A 36 8.397 -2.242 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 36 7.207 -0.409 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.238 1.772 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.592 0.559 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.838 0.996 -2.411 1.00 0.00 H new ATOM 595 N LYS A 37 8.630 1.440 -4.915 1.00 0.00 N ATOM 596 CA LYS A 37 8.785 1.957 -6.279 1.00 0.00 C ATOM 597 C LYS A 37 7.433 2.334 -6.882 1.00 0.00 C ATOM 598 O LYS A 37 7.363 3.133 -7.815 1.00 0.00 O ATOM 599 CB LYS A 37 9.500 0.945 -7.183 1.00 0.00 C ATOM 600 CG LYS A 37 10.454 1.589 -8.178 1.00 0.00 C ATOM 601 CD LYS A 37 10.194 1.108 -9.596 1.00 0.00 C ATOM 602 CE LYS A 37 10.691 2.111 -10.624 1.00 0.00 C ATOM 603 NZ LYS A 37 9.596 2.988 -11.110 1.00 0.00 N ATOM 0 H LYS A 37 8.692 2.156 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 37 9.400 2.855 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.055 0.243 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.754 0.367 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.347 2.673 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.482 1.359 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.689 0.149 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.126 0.942 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.479 2.722 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.133 1.580 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.973 3.659 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.856 2.406 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.191 3.514 -10.309 1.00 0.00 H new ATOM 617 N THR A 38 6.361 1.763 -6.339 1.00 0.00 N ATOM 618 CA THR A 38 5.017 2.048 -6.819 1.00 0.00 C ATOM 619 C THR A 38 4.031 2.083 -5.656 1.00 0.00 C ATOM 620 O THR A 38 3.300 1.121 -5.421 1.00 0.00 O ATOM 621 CB THR A 38 4.583 0.995 -7.841 1.00 0.00 C ATOM 622 OG1 THR A 38 5.683 0.577 -8.629 1.00 0.00 O ATOM 623 CG2 THR A 38 3.504 1.486 -8.782 1.00 0.00 C ATOM 0 H THR A 38 6.400 1.100 -5.565 1.00 0.00 H new ATOM 0 HA THR A 38 5.025 3.026 -7.301 1.00 0.00 H new ATOM 0 HB THR A 38 4.183 0.169 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.385 -0.097 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.242 0.692 -9.481 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.622 1.770 -8.208 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.870 2.350 -9.336 1.00 0.00 H new ATOM 631 N VAL A 39 4.025 3.199 -4.925 1.00 0.00 N ATOM 632 CA VAL A 39 3.134 3.368 -3.772 1.00 0.00 C ATOM 633 C VAL A 39 1.740 2.804 -4.047 1.00 0.00 C ATOM 634 O VAL A 39 1.201 2.037 -3.244 1.00 0.00 O ATOM 635 CB VAL A 39 3.011 4.854 -3.373 1.00 0.00 C ATOM 636 CG1 VAL A 39 2.464 5.678 -4.528 1.00 0.00 C ATOM 637 CG2 VAL A 39 2.135 5.008 -2.135 1.00 0.00 C ATOM 0 H VAL A 39 4.627 4.001 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 39 3.581 2.811 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 39 4.007 5.227 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.385 6.722 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.136 5.598 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.478 5.306 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.061 6.063 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.140 4.615 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.577 4.456 -1.306 1.00 0.00 H new ATOM 647 N GLU A 40 1.164 3.173 -5.188 1.00 0.00 N ATOM 648 CA GLU A 40 -0.159 2.685 -5.557 1.00 0.00 C ATOM 649 C GLU A 40 -0.140 1.166 -5.672 1.00 0.00 C ATOM 650 O GLU A 40 -1.046 0.488 -5.190 1.00 0.00 O ATOM 651 CB GLU A 40 -0.626 3.321 -6.872 1.00 0.00 C ATOM 652 CG GLU A 40 -1.738 4.334 -6.684 1.00 0.00 C ATOM 653 CD GLU A 40 -2.237 4.899 -8.003 1.00 0.00 C ATOM 654 OE1 GLU A 40 -1.490 4.825 -9.005 1.00 0.00 O ATOM 655 OE2 GLU A 40 -3.373 5.414 -8.036 1.00 0.00 O ATOM 0 H GLU A 40 1.590 3.803 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.865 2.969 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.222 3.807 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.969 2.536 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.568 3.864 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.380 5.149 -6.055 1.00 0.00 H new ATOM 662 N GLY A 41 0.908 0.638 -6.296 1.00 0.00 N ATOM 663 CA GLY A 41 1.032 -0.798 -6.441 1.00 0.00 C ATOM 664 C GLY A 41 1.257 -1.484 -5.109 1.00 0.00 C ATOM 665 O GLY A 41 0.588 -2.460 -4.794 1.00 0.00 O ATOM 0 H GLY A 41 1.671 1.179 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.130 -1.195 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.862 -1.025 -7.111 1.00 0.00 H new ATOM 669 N VAL A 42 2.193 -0.962 -4.316 1.00 0.00 N ATOM 670 CA VAL A 42 2.485 -1.530 -3.000 1.00 0.00 C ATOM 671 C VAL A 42 1.189 -1.866 -2.267 1.00 0.00 C ATOM 672 O VAL A 42 1.067 -2.918 -1.635 1.00 0.00 O ATOM 673 CB VAL A 42 3.315 -0.556 -2.140 1.00 0.00 C ATOM 674 CG1 VAL A 42 3.876 -1.267 -0.921 1.00 0.00 C ATOM 675 CG2 VAL A 42 4.437 0.065 -2.960 1.00 0.00 C ATOM 0 H VAL A 42 2.760 -0.150 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 42 3.065 -2.439 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 42 2.658 0.244 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.459 -0.564 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.056 -1.659 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.516 -2.089 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.010 0.749 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.093 -0.721 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.013 0.613 -3.801 1.00 0.00 H new ATOM 685 N TRP A 43 0.216 -0.966 -2.376 1.00 0.00 N ATOM 686 CA TRP A 43 -1.081 -1.160 -1.740 1.00 0.00 C ATOM 687 C TRP A 43 -1.950 -2.129 -2.542 1.00 0.00 C ATOM 688 O TRP A 43 -2.755 -2.866 -1.971 1.00 0.00 O ATOM 689 CB TRP A 43 -1.804 0.180 -1.583 1.00 0.00 C ATOM 690 CG TRP A 43 -2.932 0.139 -0.598 1.00 0.00 C ATOM 691 CD1 TRP A 43 -4.057 -0.633 -0.671 1.00 0.00 C ATOM 692 CD2 TRP A 43 -3.046 0.901 0.609 1.00 0.00 C ATOM 693 NE1 TRP A 43 -4.862 -0.397 0.417 1.00 0.00 N ATOM 694 CE2 TRP A 43 -4.264 0.541 1.216 1.00 0.00 C ATOM 695 CE3 TRP A 43 -2.237 1.854 1.234 1.00 0.00 C ATOM 696 CZ2 TRP A 43 -4.689 1.099 2.419 1.00 0.00 C ATOM 697 CZ3 TRP A 43 -2.661 2.408 2.428 1.00 0.00 C ATOM 698 CH2 TRP A 43 -3.877 2.029 3.010 1.00 0.00 C ATOM 0 H TRP A 43 0.302 -0.095 -2.899 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.908 -1.591 -0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.085 0.937 -1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.191 0.491 -2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.281 -1.327 -1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.759 -0.847 0.600 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.298 2.152 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.626 0.808 2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.044 3.145 2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.180 2.479 3.944 1.00 0.00 H new ATOM 709 N THR A 44 -1.786 -2.129 -3.864 1.00 0.00 N ATOM 710 CA THR A 44 -2.570 -3.018 -4.722 1.00 0.00 C ATOM 711 C THR A 44 -2.002 -4.432 -4.707 1.00 0.00 C ATOM 712 O THR A 44 -2.734 -5.403 -4.515 1.00 0.00 O ATOM 713 CB THR A 44 -2.610 -2.486 -6.157 1.00 0.00 C ATOM 714 OG1 THR A 44 -2.679 -1.070 -6.166 1.00 0.00 O ATOM 715 CG2 THR A 44 -3.784 -3.007 -6.955 1.00 0.00 C ATOM 0 H THR A 44 -1.125 -1.531 -4.361 1.00 0.00 H new ATOM 0 HA THR A 44 -3.586 -3.049 -4.329 1.00 0.00 H new ATOM 0 HB THR A 44 -1.689 -2.839 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.776 -0.698 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.753 -2.591 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.733 -4.094 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.714 -2.711 -6.469 1.00 0.00 H new ATOM 723 N LEU A 45 -0.695 -4.538 -4.901 1.00 0.00 N ATOM 724 CA LEU A 45 -0.021 -5.827 -4.902 1.00 0.00 C ATOM 725 C LEU A 45 -0.277 -6.550 -3.590 1.00 0.00 C ATOM 726 O LEU A 45 -0.444 -7.767 -3.563 1.00 0.00 O ATOM 727 CB LEU A 45 1.484 -5.643 -5.113 1.00 0.00 C ATOM 728 CG LEU A 45 1.866 -4.650 -6.211 1.00 0.00 C ATOM 729 CD1 LEU A 45 3.165 -3.937 -5.861 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.983 -5.355 -7.555 1.00 0.00 C ATOM 0 H LEU A 45 -0.078 -3.742 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.418 -6.426 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.930 -5.313 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.923 -6.612 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 45 1.077 -3.902 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.420 -3.235 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.042 -3.396 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.965 -4.670 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.256 -4.631 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.750 -6.127 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.027 -5.812 -7.810 1.00 0.00 H new ATOM 741 N LYS A 46 -0.321 -5.784 -2.504 1.00 0.00 N ATOM 742 CA LYS A 46 -0.573 -6.342 -1.183 1.00 0.00 C ATOM 743 C LYS A 46 -1.994 -6.893 -1.098 1.00 0.00 C ATOM 744 O LYS A 46 -2.201 -8.080 -0.848 1.00 0.00 O ATOM 745 CB LYS A 46 -0.360 -5.266 -0.112 1.00 0.00 C ATOM 746 CG LYS A 46 -0.947 -5.620 1.247 1.00 0.00 C ATOM 747 CD LYS A 46 -0.911 -4.435 2.198 1.00 0.00 C ATOM 748 CE LYS A 46 -1.953 -3.389 1.827 1.00 0.00 C ATOM 749 NZ LYS A 46 -2.732 -2.937 3.013 1.00 0.00 N ATOM 0 H LYS A 46 -0.185 -4.773 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 46 0.126 -7.160 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.709 -5.087 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.805 -4.332 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.976 -5.956 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.390 -6.451 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.087 -4.780 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.081 -3.984 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.460 -2.532 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.633 -3.802 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.583 -2.430 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.012 -3.763 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.146 -2.302 3.592 1.00 0.00 H new ATOM 763 N ASP A 47 -2.970 -6.019 -1.302 1.00 0.00 N ATOM 764 CA ASP A 47 -4.372 -6.416 -1.247 1.00 0.00 C ATOM 765 C ASP A 47 -4.654 -7.527 -2.252 1.00 0.00 C ATOM 766 O ASP A 47 -5.487 -8.403 -2.014 1.00 0.00 O ATOM 767 CB ASP A 47 -5.277 -5.216 -1.528 1.00 0.00 C ATOM 768 CG ASP A 47 -5.709 -4.510 -0.258 1.00 0.00 C ATOM 769 OD1 ASP A 47 -4.828 -4.162 0.557 1.00 0.00 O ATOM 770 OD2 ASP A 47 -6.927 -4.304 -0.078 1.00 0.00 O ATOM 0 H ASP A 47 -2.818 -5.031 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.582 -6.790 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.752 -4.511 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.160 -5.550 -2.074 1.00 0.00 H new ATOM 775 N GLU A 48 -3.949 -7.485 -3.378 1.00 0.00 N ATOM 776 CA GLU A 48 -4.115 -8.485 -4.423 1.00 0.00 C ATOM 777 C GLU A 48 -3.427 -9.792 -4.043 1.00 0.00 C ATOM 778 O GLU A 48 -4.041 -10.862 -4.073 1.00 0.00 O ATOM 779 CB GLU A 48 -3.554 -7.964 -5.748 1.00 0.00 C ATOM 780 CG GLU A 48 -4.129 -8.664 -6.969 1.00 0.00 C ATOM 781 CD GLU A 48 -3.776 -7.959 -8.264 1.00 0.00 C ATOM 782 OE1 GLU A 48 -4.184 -6.792 -8.434 1.00 0.00 O ATOM 783 OE2 GLU A 48 -3.092 -8.576 -9.108 1.00 0.00 O ATOM 0 H GLU A 48 -3.256 -6.767 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.181 -8.680 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.756 -6.895 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.471 -8.085 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.758 -9.688 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.213 -8.721 -6.874 1.00 0.00 H new ATOM 790 N ILE A 49 -2.147 -9.705 -3.685 1.00 0.00 N ATOM 791 CA ILE A 49 -1.391 -10.891 -3.306 1.00 0.00 C ATOM 792 C ILE A 49 -2.026 -11.591 -2.111 1.00 0.00 C ATOM 793 O ILE A 49 -1.854 -12.792 -1.926 1.00 0.00 O ATOM 794 CB ILE A 49 0.091 -10.582 -3.004 1.00 0.00 C ATOM 795 CG1 ILE A 49 0.854 -11.887 -2.800 1.00 0.00 C ATOM 796 CG2 ILE A 49 0.243 -9.682 -1.790 1.00 0.00 C ATOM 797 CD1 ILE A 49 0.798 -12.809 -3.997 1.00 0.00 C ATOM 0 H ILE A 49 -1.618 -8.833 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.420 -11.556 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 49 0.507 -10.046 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.896 -11.659 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.447 -12.405 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.301 -9.488 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.273 -8.739 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.189 -10.172 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.361 -13.717 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.240 -13.067 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.232 -12.308 -4.862 1.00 0.00 H new ATOM 809 N LEU A 50 -2.780 -10.846 -1.311 1.00 0.00 N ATOM 810 CA LEU A 50 -3.448 -11.436 -0.161 1.00 0.00 C ATOM 811 C LEU A 50 -4.705 -12.160 -0.620 1.00 0.00 C ATOM 812 O LEU A 50 -5.078 -13.196 -0.069 1.00 0.00 O ATOM 813 CB LEU A 50 -3.800 -10.369 0.876 1.00 0.00 C ATOM 814 CG LEU A 50 -3.939 -10.893 2.304 1.00 0.00 C ATOM 815 CD1 LEU A 50 -2.589 -10.882 2.997 1.00 0.00 C ATOM 816 CD2 LEU A 50 -4.950 -10.066 3.082 1.00 0.00 C ATOM 0 H LEU A 50 -2.942 -9.847 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.770 -12.148 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.031 -9.597 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.736 -9.893 0.585 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.302 -11.920 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.699 -11.257 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.894 -11.518 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.203 -9.863 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.035 -10.455 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.620 -9.028 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.921 -10.121 2.590 1.00 0.00 H new ATOM 828 N THR A 51 -5.348 -11.609 -1.646 1.00 0.00 N ATOM 829 CA THR A 51 -6.558 -12.200 -2.200 1.00 0.00 C ATOM 830 C THR A 51 -6.293 -13.624 -2.693 1.00 0.00 C ATOM 831 O THR A 51 -7.153 -14.495 -2.579 1.00 0.00 O ATOM 832 CB THR A 51 -7.092 -11.336 -3.345 1.00 0.00 C ATOM 833 OG1 THR A 51 -7.591 -10.106 -2.853 1.00 0.00 O ATOM 834 CG2 THR A 51 -8.202 -11.996 -4.138 1.00 0.00 C ATOM 0 H THR A 51 -5.048 -10.752 -2.110 1.00 0.00 H new ATOM 0 HA THR A 51 -7.308 -12.245 -1.410 1.00 0.00 H new ATOM 0 HB THR A 51 -6.240 -11.184 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.843 -9.540 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.530 -11.325 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.834 -12.924 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.041 -12.214 -3.477 1.00 0.00 H new ATOM 842 N PHE A 52 -5.099 -13.857 -3.239 1.00 0.00 N ATOM 843 CA PHE A 52 -4.733 -15.181 -3.743 1.00 0.00 C ATOM 844 C PHE A 52 -4.498 -16.154 -2.573 1.00 0.00 C ATOM 845 O PHE A 52 -3.441 -16.765 -2.451 1.00 0.00 O ATOM 846 CB PHE A 52 -3.500 -15.055 -4.672 1.00 0.00 C ATOM 847 CG PHE A 52 -2.307 -15.898 -4.302 1.00 0.00 C ATOM 848 CD1 PHE A 52 -1.344 -15.411 -3.434 1.00 0.00 C ATOM 849 CD2 PHE A 52 -2.148 -17.172 -4.824 1.00 0.00 C ATOM 850 CE1 PHE A 52 -0.246 -16.174 -3.091 1.00 0.00 C ATOM 851 CE2 PHE A 52 -1.051 -17.943 -4.485 1.00 0.00 C ATOM 852 CZ PHE A 52 -0.098 -17.442 -3.618 1.00 0.00 C ATOM 0 H PHE A 52 -4.372 -13.150 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.550 -15.596 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.805 -15.317 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.190 -14.010 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.454 -14.420 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.889 -17.567 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.496 -15.780 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.939 -18.935 -4.897 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.761 -18.041 -3.353 1.00 0.00 H new ATOM 862 N THR A 53 -5.510 -16.291 -1.712 1.00 0.00 N ATOM 863 CA THR A 53 -5.441 -17.173 -0.551 1.00 0.00 C ATOM 864 C THR A 53 -6.584 -16.839 0.402 1.00 0.00 C ATOM 865 O THR A 53 -7.462 -17.663 0.649 1.00 0.00 O ATOM 866 CB THR A 53 -4.084 -17.045 0.169 1.00 0.00 C ATOM 867 OG1 THR A 53 -3.133 -17.932 -0.395 1.00 0.00 O ATOM 868 CG2 THR A 53 -4.144 -17.343 1.655 1.00 0.00 C ATOM 0 H THR A 53 -6.396 -15.794 -1.802 1.00 0.00 H new ATOM 0 HA THR A 53 -5.536 -18.205 -0.889 1.00 0.00 H new ATOM 0 HB THR A 53 -3.797 -16.002 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.108 -17.810 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.150 -17.231 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.831 -16.648 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.494 -18.364 1.808 1.00 0.00 H new ATOM 876 N VAL A 54 -6.567 -15.616 0.923 1.00 0.00 N ATOM 877 CA VAL A 54 -7.601 -15.163 1.835 1.00 0.00 C ATOM 878 C VAL A 54 -8.715 -14.440 1.082 1.00 0.00 C ATOM 879 O VAL A 54 -8.700 -13.214 0.965 1.00 0.00 O ATOM 880 CB VAL A 54 -7.046 -14.221 2.922 1.00 0.00 C ATOM 881 CG1 VAL A 54 -8.004 -14.133 4.097 1.00 0.00 C ATOM 882 CG2 VAL A 54 -5.670 -14.683 3.380 1.00 0.00 C ATOM 0 H VAL A 54 -5.845 -14.923 0.726 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.998 -16.057 2.317 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.945 -13.224 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.593 -13.463 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.965 -13.748 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.143 -15.124 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.295 -14.005 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.742 -15.691 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.986 -14.684 2.532 1.00 0.00 H new ATOM 892 N THR A 55 -9.674 -15.205 0.569 1.00 0.00 N ATOM 893 CA THR A 55 -10.788 -14.635 -0.178 1.00 0.00 C ATOM 894 C THR A 55 -11.551 -13.630 0.677 1.00 0.00 C ATOM 895 O THR A 55 -11.994 -13.947 1.785 1.00 0.00 O ATOM 896 CB THR A 55 -11.731 -15.742 -0.652 1.00 0.00 C ATOM 897 OG1 THR A 55 -11.682 -16.849 0.230 1.00 0.00 O ATOM 898 CG2 THR A 55 -11.402 -16.250 -2.041 1.00 0.00 C ATOM 0 H THR A 55 -9.701 -16.221 0.657 1.00 0.00 H new ATOM 0 HA THR A 55 -10.386 -14.116 -1.048 1.00 0.00 H new ATOM 0 HB THR A 55 -12.724 -15.292 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.292 -17.547 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.107 -17.034 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.472 -15.429 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.389 -16.653 -2.051 1.00 0.00 H new ATOM 906 N GLU A 56 -11.717 -12.420 0.155 1.00 0.00 N ATOM 907 CA GLU A 56 -12.435 -11.368 0.870 1.00 0.00 C ATOM 908 C GLU A 56 -13.894 -11.747 1.076 1.00 0.00 C ATOM 909 O GLU A 56 -14.357 -11.722 2.239 1.00 0.00 O ATOM 910 CB GLU A 56 -12.335 -10.046 0.104 1.00 0.00 C ATOM 911 CG GLU A 56 -12.046 -8.848 0.995 1.00 0.00 C ATOM 912 CD GLU A 56 -13.029 -7.712 0.780 1.00 0.00 C ATOM 913 OE1 GLU A 56 -13.299 -7.370 -0.390 1.00 0.00 O ATOM 914 OE2 GLU A 56 -13.538 -7.164 1.784 1.00 0.00 O ATOM 915 OXT GLU A 56 -14.564 -12.067 0.074 1.00 0.00 O ATOM 0 H GLU A 56 -11.365 -12.142 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.974 -11.246 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.549 -10.129 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.269 -9.874 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.079 -9.160 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.035 -8.491 0.801 1.00 0.00 H new TER 922 GLU A 56