USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 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 5 LYS NZ :NH3+ -136:sc= 0 (180deg=0) USER MOD Set 1.2: A 8 ASN : amide:sc= -0.913 K(o=-0.91,f=-3.6!) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.03 F(o=-1.6!,f=-1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.46 F(o=-6!,f=-1.5) USER MOD Single : A 20 SER OG : rot -13:sc= 0.661 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= -0.0172 USER MOD Single : A 28 MET CE :methyl -148:sc= 0 (180deg=-1.58!) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00323 (180deg=-0.0811) USER MOD Single : A 37 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.2!) USER MOD Single : A 44 SER OG : rot -110:sc= 0.689 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -0.652 K(o=-0.65,f=-4.3!) USER MOD Single : B 9 ASN :FLIP amide:sc= -2.46 F(o=-3.3!,f=-2.5) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -1.43 F(o=-4.5!,f=-1.4) USER MOD Single : B 20 SER OG : rot -17:sc= 0.675 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 170:sc= -0.0152 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 173:sc=-0.00233 (180deg=-0.0812) USER MOD Single : B 37 ASN : amide:sc= -0.241 K(o=-0.24,f=-0.96) USER MOD Single : B 44 SER OG : rot 110:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.732 3.802 2.289 1.00 0.00 N ATOM 13 CA GLU A 2 4.483 2.729 3.245 1.00 0.00 C ATOM 14 C GLU A 2 4.200 1.409 2.536 1.00 0.00 C ATOM 15 O GLU A 2 4.504 0.340 3.056 1.00 0.00 O ATOM 16 CB GLU A 2 3.310 3.093 4.157 1.00 0.00 C ATOM 17 CG GLU A 2 2.993 2.037 5.206 1.00 0.00 C ATOM 18 CD GLU A 2 4.128 1.821 6.188 1.00 0.00 C ATOM 19 OE1 GLU A 2 5.225 1.410 5.753 1.00 0.00 O ATOM 20 OE2 GLU A 2 3.921 2.064 7.396 1.00 0.00 O ATOM 0 HA GLU A 2 5.382 2.605 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.532 4.035 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.424 3.259 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.098 2.333 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.766 1.094 4.708 1.00 0.00 H new ATOM 27 N ALA A 3 3.617 1.495 1.344 1.00 0.00 N ATOM 28 CA ALA A 3 3.290 0.311 0.555 1.00 0.00 C ATOM 29 C ALA A 3 4.530 -0.223 -0.137 1.00 0.00 C ATOM 30 O ALA A 3 4.643 -1.406 -0.455 1.00 0.00 O ATOM 31 CB ALA A 3 2.221 0.644 -0.473 1.00 0.00 C ATOM 0 H ALA A 3 3.360 2.377 0.901 1.00 0.00 H new ATOM 0 HA ALA A 3 2.907 -0.458 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.986 -0.247 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.322 0.992 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.587 1.426 -1.138 1.00 0.00 H new ATOM 37 N LEU A 4 5.447 0.687 -0.370 1.00 0.00 N ATOM 38 CA LEU A 4 6.702 0.401 -1.026 1.00 0.00 C ATOM 39 C LEU A 4 7.720 -0.110 -0.018 1.00 0.00 C ATOM 40 O LEU A 4 8.480 -1.037 -0.294 1.00 0.00 O ATOM 41 CB LEU A 4 7.191 1.681 -1.695 1.00 0.00 C ATOM 42 CG LEU A 4 6.176 2.333 -2.644 1.00 0.00 C ATOM 43 CD1 LEU A 4 5.524 1.278 -3.519 1.00 0.00 C ATOM 44 CD2 LEU A 4 5.117 3.107 -1.865 1.00 0.00 C ATOM 0 H LEU A 4 5.340 1.666 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 4 6.568 -0.377 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.459 2.400 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.100 1.459 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 4 6.709 3.039 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.806 1.753 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.288 0.771 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.009 0.552 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.411 3.559 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.586 2.427 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.597 3.889 -1.277 1.00 0.00 H new ATOM 56 N LYS A 5 7.716 0.514 1.151 1.00 0.00 N ATOM 57 CA LYS A 5 8.622 0.151 2.231 1.00 0.00 C ATOM 58 C LYS A 5 8.169 -1.130 2.922 1.00 0.00 C ATOM 59 O LYS A 5 8.989 -1.954 3.322 1.00 0.00 O ATOM 60 CB LYS A 5 8.726 1.289 3.252 1.00 0.00 C ATOM 61 CG LYS A 5 9.553 0.926 4.473 1.00 0.00 C ATOM 62 CD LYS A 5 10.855 0.261 4.069 1.00 0.00 C ATOM 63 CE LYS A 5 11.693 -0.112 5.282 1.00 0.00 C ATOM 64 NZ LYS A 5 12.969 -0.773 4.894 1.00 0.00 N ATOM 0 H LYS A 5 7.087 1.284 1.377 1.00 0.00 H new ATOM 0 HA LYS A 5 9.605 -0.024 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.166 2.162 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.724 1.574 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.764 1.824 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.983 0.256 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.641 -0.634 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.423 0.933 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.911 0.785 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.121 -0.778 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.135 -1.595 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.910 -1.087 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.754 -0.099 4.997 1.00 0.00 H new ATOM 78 N ILE A 6 6.858 -1.298 3.045 1.00 0.00 N ATOM 79 CA ILE A 6 6.293 -2.481 3.668 1.00 0.00 C ATOM 80 C ILE A 6 6.836 -3.702 2.962 1.00 0.00 C ATOM 81 O ILE A 6 7.395 -4.619 3.562 1.00 0.00 O ATOM 82 CB ILE A 6 4.749 -2.460 3.550 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.106 -3.620 4.303 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.307 -2.494 2.098 1.00 0.00 C ATOM 85 CD1 ILE A 6 4.450 -4.998 3.772 1.00 0.00 C ATOM 0 H ILE A 6 6.166 -0.624 2.718 1.00 0.00 H new ATOM 0 HA ILE A 6 6.563 -2.503 4.724 1.00 0.00 H new ATOM 0 HB ILE A 6 4.416 -1.526 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.406 -3.565 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.023 -3.496 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.218 -2.478 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.707 -1.625 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.678 -3.403 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.946 -5.755 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.124 -5.080 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.528 -5.150 3.826 1.00 0.00 H new ATOM 97 N LEU A 7 6.658 -3.663 1.666 1.00 0.00 N ATOM 98 CA LEU A 7 7.095 -4.697 0.767 1.00 0.00 C ATOM 99 C LEU A 7 8.591 -4.593 0.599 1.00 0.00 C ATOM 100 O LEU A 7 9.272 -5.556 0.251 1.00 0.00 O ATOM 101 CB LEU A 7 6.416 -4.457 -0.588 1.00 0.00 C ATOM 102 CG LEU A 7 6.384 -5.614 -1.593 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.753 -5.137 -2.883 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.758 -6.191 -1.874 1.00 0.00 C ATOM 0 H LEU A 7 6.191 -2.888 1.195 1.00 0.00 H new ATOM 0 HA LEU A 7 6.839 -5.684 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.387 -4.153 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.914 -3.613 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 7 5.792 -6.415 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.728 -5.957 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.737 -4.796 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.339 -4.314 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.670 -7.006 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.402 -5.413 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.190 -6.569 -0.948 1.00 0.00 H new ATOM 116 N ASN A 8 9.076 -3.374 0.782 1.00 0.00 N ATOM 117 CA ASN A 8 10.486 -3.083 0.566 1.00 0.00 C ATOM 118 C ASN A 8 10.748 -3.265 -0.923 1.00 0.00 C ATOM 119 O ASN A 8 11.881 -3.203 -1.393 1.00 0.00 O ATOM 120 CB ASN A 8 11.393 -4.017 1.377 1.00 0.00 C ATOM 121 CG ASN A 8 11.130 -3.941 2.867 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.044 -4.283 3.337 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.127 -3.492 3.622 1.00 0.00 N ATOM 0 H ASN A 8 8.517 -2.574 1.078 1.00 0.00 H new ATOM 0 HA ASN A 8 10.710 -2.068 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.247 -5.043 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.435 -3.763 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.009 -3.420 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.010 -3.219 3.191 1.00 0.00 H new ATOM 130 N ASN A 9 9.649 -3.500 -1.643 1.00 0.00 N ATOM 131 CA ASN A 9 9.658 -3.715 -3.082 1.00 0.00 C ATOM 132 C ASN A 9 10.340 -5.031 -3.444 1.00 0.00 C ATOM 133 O ASN A 9 11.482 -5.290 -3.064 1.00 0.00 O ATOM 134 CB ASN A 9 10.306 -2.530 -3.799 1.00 0.00 C ATOM 135 CG ASN A 9 9.480 -1.265 -3.656 1.00 0.00 C ATOM 136 OD1 ASN A 9 9.998 -0.293 -2.915 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 8.378 -1.170 -4.195 1.00 0.00 N flip ATOM 0 H ASN A 9 8.717 -3.546 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 9 8.624 -3.787 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.303 -2.361 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.428 -2.767 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.017 -1.941 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.826 -0.320 -4.080 1.00 0.00 H new ATOM 144 N ILE A 10 9.598 -5.857 -4.175 1.00 0.00 N ATOM 145 CA ILE A 10 10.055 -7.173 -4.611 1.00 0.00 C ATOM 146 C ILE A 10 11.431 -7.125 -5.270 1.00 0.00 C ATOM 147 O ILE A 10 12.165 -8.112 -5.251 1.00 0.00 O ATOM 148 CB ILE A 10 9.045 -7.811 -5.585 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.896 -6.968 -6.859 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.698 -7.986 -4.895 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.232 -5.622 -6.644 1.00 0.00 C ATOM 0 H ILE A 10 8.653 -5.630 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 10 10.134 -7.783 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 10 9.421 -8.791 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.883 -6.808 -7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.316 -7.533 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.989 -8.437 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.816 -8.633 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.324 -7.013 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.167 -5.092 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.230 -5.771 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.821 -5.034 -5.941 1.00 0.00 H new ATOM 163 N ARG A 11 11.774 -5.984 -5.860 1.00 0.00 N ATOM 164 CA ARG A 11 13.065 -5.835 -6.527 1.00 0.00 C ATOM 165 C ARG A 11 14.220 -6.202 -5.593 1.00 0.00 C ATOM 166 O ARG A 11 15.071 -7.024 -5.940 1.00 0.00 O ATOM 167 CB ARG A 11 13.229 -4.402 -7.044 1.00 0.00 C ATOM 168 CG ARG A 11 13.062 -3.336 -5.973 1.00 0.00 C ATOM 169 CD ARG A 11 13.171 -1.937 -6.561 1.00 0.00 C ATOM 170 NE ARG A 11 13.021 -0.897 -5.546 1.00 0.00 N ATOM 171 CZ ARG A 11 13.872 -0.716 -4.541 1.00 0.00 C ATOM 172 NH1 ARG A 11 14.940 -1.493 -4.419 1.00 0.00 N ATOM 173 NH2 ARG A 11 13.657 0.248 -3.655 1.00 0.00 N ATOM 0 H ARG A 11 11.182 -5.154 -5.891 1.00 0.00 H new ATOM 0 HA ARG A 11 13.090 -6.523 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.217 -4.300 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.499 -4.226 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.093 -3.454 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.822 -3.469 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.138 -1.826 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.407 -1.807 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 11 12.216 -0.274 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.112 -2.234 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.590 -1.349 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.839 0.850 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.310 0.387 -2.884 1.00 0.00 H new ATOM 187 N THR A 12 14.245 -5.600 -4.409 1.00 0.00 N ATOM 188 CA THR A 12 15.296 -5.879 -3.438 1.00 0.00 C ATOM 189 C THR A 12 14.936 -7.080 -2.572 1.00 0.00 C ATOM 190 O THR A 12 15.813 -7.797 -2.085 1.00 0.00 O ATOM 191 CB THR A 12 15.569 -4.668 -2.522 1.00 0.00 C ATOM 192 OG1 THR A 12 16.761 -4.891 -1.758 1.00 0.00 O ATOM 193 CG2 THR A 12 14.405 -4.430 -1.576 1.00 0.00 C ATOM 0 H THR A 12 13.552 -4.918 -4.099 1.00 0.00 H new ATOM 0 HA THR A 12 16.197 -6.096 -4.011 1.00 0.00 H new ATOM 0 HB THR A 12 15.694 -3.788 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.929 -4.117 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.622 -3.571 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.501 -4.235 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.255 -5.312 -0.954 1.00 0.00 H new ATOM 201 N LEU A 13 13.635 -7.280 -2.364 1.00 0.00 N ATOM 202 CA LEU A 13 13.154 -8.378 -1.538 1.00 0.00 C ATOM 203 C LEU A 13 13.553 -9.730 -2.113 1.00 0.00 C ATOM 204 O LEU A 13 14.241 -10.502 -1.454 1.00 0.00 O ATOM 205 CB LEU A 13 11.631 -8.305 -1.382 1.00 0.00 C ATOM 206 CG LEU A 13 11.028 -9.277 -0.358 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.560 -8.956 -0.127 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.193 -10.724 -0.807 1.00 0.00 C ATOM 0 H LEU A 13 12.898 -6.694 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 13 13.620 -8.278 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.360 -7.289 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.173 -8.496 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 13 11.567 -9.155 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.145 -9.653 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.465 -7.938 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.015 -9.047 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.756 -11.388 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.688 -10.868 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.253 -10.952 -0.919 1.00 0.00 H new ATOM 220 N ARG A 14 13.107 -10.022 -3.331 1.00 0.00 N ATOM 221 CA ARG A 14 13.420 -11.300 -3.966 1.00 0.00 C ATOM 222 C ARG A 14 14.886 -11.649 -3.789 1.00 0.00 C ATOM 223 O ARG A 14 15.247 -12.819 -3.700 1.00 0.00 O ATOM 224 CB ARG A 14 13.075 -11.274 -5.455 1.00 0.00 C ATOM 225 CG ARG A 14 11.585 -11.270 -5.741 1.00 0.00 C ATOM 226 CD ARG A 14 11.311 -11.496 -7.218 1.00 0.00 C ATOM 227 NE ARG A 14 11.876 -12.760 -7.688 1.00 0.00 N ATOM 228 CZ ARG A 14 11.797 -13.181 -8.946 1.00 0.00 C ATOM 229 NH1 ARG A 14 11.185 -12.442 -9.860 1.00 0.00 N ATOM 230 NH2 ARG A 14 12.335 -14.343 -9.292 1.00 0.00 N ATOM 0 H ARG A 14 12.532 -9.397 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 14 12.813 -12.063 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.524 -10.389 -5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.525 -12.142 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.097 -12.048 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.154 -10.318 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.235 -11.491 -7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.731 -10.673 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 14 12.358 -13.352 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.772 -11.546 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.127 -12.769 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.810 -14.914 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.274 -14.666 -10.258 1.00 0.00 H new ATOM 244 N ALA A 15 15.726 -10.624 -3.741 1.00 0.00 N ATOM 245 CA ALA A 15 17.161 -10.813 -3.576 1.00 0.00 C ATOM 246 C ALA A 15 17.531 -11.078 -2.124 1.00 0.00 C ATOM 247 O ALA A 15 18.279 -12.009 -1.825 1.00 0.00 O ATOM 248 CB ALA A 15 17.902 -9.592 -4.073 1.00 0.00 C ATOM 0 H ALA A 15 15.437 -9.649 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 15 17.449 -11.686 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.974 -9.741 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.679 -9.436 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.587 -8.718 -3.503 1.00 0.00 H new ATOM 254 N GLN A 16 17.013 -10.250 -1.222 1.00 0.00 N ATOM 255 CA GLN A 16 17.308 -10.403 0.201 1.00 0.00 C ATOM 256 C GLN A 16 16.762 -11.731 0.697 1.00 0.00 C ATOM 257 O GLN A 16 17.353 -12.398 1.546 1.00 0.00 O ATOM 258 CB GLN A 16 16.689 -9.259 1.013 1.00 0.00 C ATOM 259 CG GLN A 16 15.187 -9.402 1.216 1.00 0.00 C ATOM 260 CD GLN A 16 14.581 -8.271 2.022 1.00 0.00 C ATOM 261 OE1 GLN A 16 13.476 -7.721 1.531 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 15.085 -7.910 3.088 1.00 0.00 N flip ATOM 0 H GLN A 16 16.392 -9.472 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 16 18.390 -10.377 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.176 -9.210 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.891 -8.315 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.699 -9.448 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.984 -10.347 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.935 -8.360 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.652 -7.162 3.629 1.00 0.00 H new ATOM 271 N ALA A 17 15.621 -12.091 0.140 1.00 0.00 N ATOM 272 CA ALA A 17 14.936 -13.322 0.474 1.00 0.00 C ATOM 273 C ALA A 17 15.458 -14.467 -0.365 1.00 0.00 C ATOM 274 O ALA A 17 15.297 -15.632 -0.007 1.00 0.00 O ATOM 275 CB ALA A 17 13.443 -13.157 0.275 1.00 0.00 C ATOM 0 H ALA A 17 15.140 -11.530 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 17 15.127 -13.553 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.937 -14.088 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.076 -12.358 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.240 -12.906 -0.766 1.00 0.00 H new ATOM 281 N ARG A 18 16.076 -14.127 -1.496 1.00 0.00 N ATOM 282 CA ARG A 18 16.625 -15.129 -2.396 1.00 0.00 C ATOM 283 C ARG A 18 17.386 -16.187 -1.610 1.00 0.00 C ATOM 284 O ARG A 18 17.427 -17.356 -1.993 1.00 0.00 O ATOM 285 CB ARG A 18 17.550 -14.462 -3.406 1.00 0.00 C ATOM 286 CG ARG A 18 18.101 -15.404 -4.456 1.00 0.00 C ATOM 287 CD ARG A 18 18.948 -14.644 -5.458 1.00 0.00 C ATOM 288 NE ARG A 18 19.477 -15.511 -6.508 1.00 0.00 N ATOM 289 CZ ARG A 18 20.318 -16.518 -6.284 1.00 0.00 C ATOM 290 NH1 ARG A 18 20.740 -16.776 -5.053 1.00 0.00 N ATOM 291 NH2 ARG A 18 20.741 -17.266 -7.295 1.00 0.00 N ATOM 0 H ARG A 18 16.207 -13.164 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 18 15.805 -15.614 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.008 -13.658 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.382 -14.003 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.700 -16.180 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.281 -15.905 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.350 -13.853 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.775 -14.160 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 18 19.185 -15.334 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.420 -16.202 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.384 -17.549 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.422 -17.069 -8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.386 -18.038 -7.124 1.00 0.00 H new ATOM 305 N GLU A 19 17.986 -15.761 -0.505 1.00 0.00 N ATOM 306 CA GLU A 19 18.748 -16.667 0.344 1.00 0.00 C ATOM 307 C GLU A 19 17.873 -17.271 1.444 1.00 0.00 C ATOM 308 O GLU A 19 18.356 -17.560 2.538 1.00 0.00 O ATOM 309 CB GLU A 19 19.938 -15.933 0.967 1.00 0.00 C ATOM 310 CG GLU A 19 19.541 -14.725 1.799 1.00 0.00 C ATOM 311 CD GLU A 19 20.735 -14.010 2.401 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.877 -14.464 2.171 1.00 0.00 O ATOM 313 OE2 GLU A 19 20.530 -12.999 3.102 1.00 0.00 O ATOM 0 H GLU A 19 17.960 -14.796 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 19 19.114 -17.481 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.495 -16.629 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.612 -15.611 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.982 -14.028 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.873 -15.044 2.599 1.00 0.00 H new ATOM 320 N SER A 20 16.588 -17.468 1.145 1.00 0.00 N ATOM 321 CA SER A 20 15.659 -18.043 2.115 1.00 0.00 C ATOM 322 C SER A 20 14.370 -18.514 1.439 1.00 0.00 C ATOM 323 O SER A 20 14.320 -18.684 0.221 1.00 0.00 O ATOM 324 CB SER A 20 15.322 -17.015 3.202 1.00 0.00 C ATOM 325 OG SER A 20 16.482 -16.612 3.909 1.00 0.00 O ATOM 0 H SER A 20 16.170 -17.239 0.243 1.00 0.00 H new ATOM 0 HA SER A 20 16.146 -18.906 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.850 -16.144 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.600 -17.442 3.898 1.00 0.00 H new ATOM 0 HG SER A 20 17.220 -17.222 3.701 1.00 0.00 H new ATOM 331 N THR A 21 13.330 -18.721 2.246 1.00 0.00 N ATOM 332 CA THR A 21 12.034 -19.172 1.749 1.00 0.00 C ATOM 333 C THR A 21 11.127 -17.981 1.437 1.00 0.00 C ATOM 334 O THR A 21 11.357 -16.877 1.927 1.00 0.00 O ATOM 335 CB THR A 21 11.337 -20.091 2.774 1.00 0.00 C ATOM 336 OG1 THR A 21 12.205 -21.175 3.123 1.00 0.00 O ATOM 337 CG2 THR A 21 10.034 -20.647 2.218 1.00 0.00 C ATOM 0 H THR A 21 13.363 -18.581 3.256 1.00 0.00 H new ATOM 0 HA THR A 21 12.213 -19.735 0.833 1.00 0.00 H new ATOM 0 HB THR A 21 11.110 -19.497 3.659 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.759 -21.755 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.566 -21.291 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.361 -19.824 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.240 -21.225 1.317 1.00 0.00 H new ATOM 345 N LEU A 22 10.095 -18.211 0.624 1.00 0.00 N ATOM 346 CA LEU A 22 9.164 -17.159 0.262 1.00 0.00 C ATOM 347 C LEU A 22 8.492 -16.593 1.505 1.00 0.00 C ATOM 348 O LEU A 22 7.862 -15.555 1.445 1.00 0.00 O ATOM 349 CB LEU A 22 8.113 -17.661 -0.733 1.00 0.00 C ATOM 350 CG LEU A 22 6.723 -17.919 -0.148 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.707 -18.099 -1.260 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.728 -19.125 0.774 1.00 0.00 C ATOM 0 H LEU A 22 9.889 -19.119 0.207 1.00 0.00 H new ATOM 0 HA LEU A 22 9.731 -16.365 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.020 -16.930 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.476 -18.585 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 22 6.440 -17.049 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.723 -18.282 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.673 -17.197 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.994 -18.948 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.726 -19.282 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.039 -20.008 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.423 -18.952 1.596 1.00 0.00 H new ATOM 364 N GLU A 23 8.616 -17.295 2.629 1.00 0.00 N ATOM 365 CA GLU A 23 8.000 -16.854 3.880 1.00 0.00 C ATOM 366 C GLU A 23 8.129 -15.342 4.039 1.00 0.00 C ATOM 367 O GLU A 23 7.303 -14.704 4.695 1.00 0.00 O ATOM 368 CB GLU A 23 8.643 -17.578 5.068 1.00 0.00 C ATOM 369 CG GLU A 23 10.134 -17.310 5.229 1.00 0.00 C ATOM 370 CD GLU A 23 10.432 -15.987 5.913 1.00 0.00 C ATOM 371 OE1 GLU A 23 9.481 -15.332 6.388 1.00 0.00 O ATOM 372 OE2 GLU A 23 11.622 -15.615 5.986 1.00 0.00 O ATOM 0 H GLU A 23 9.136 -18.170 2.700 1.00 0.00 H new ATOM 0 HA GLU A 23 6.939 -17.103 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.131 -17.279 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.488 -18.651 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.582 -18.119 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.607 -17.319 4.247 1.00 0.00 H new ATOM 379 N THR A 24 9.151 -14.772 3.404 1.00 0.00 N ATOM 380 CA THR A 24 9.366 -13.333 3.438 1.00 0.00 C ATOM 381 C THR A 24 8.077 -12.614 3.057 1.00 0.00 C ATOM 382 O THR A 24 7.693 -11.629 3.689 1.00 0.00 O ATOM 383 CB THR A 24 10.491 -12.908 2.479 1.00 0.00 C ATOM 384 OG1 THR A 24 10.611 -11.480 2.462 1.00 0.00 O ATOM 385 CG2 THR A 24 10.221 -13.421 1.073 1.00 0.00 C ATOM 0 H THR A 24 9.842 -15.288 2.860 1.00 0.00 H new ATOM 0 HA THR A 24 9.662 -13.061 4.451 1.00 0.00 H new ATOM 0 HB THR A 24 11.426 -13.342 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.496 -11.230 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.029 -13.109 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.163 -14.509 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.277 -13.012 0.712 1.00 0.00 H new ATOM 393 N LEU A 25 7.395 -13.133 2.037 1.00 0.00 N ATOM 394 CA LEU A 25 6.132 -12.560 1.610 1.00 0.00 C ATOM 395 C LEU A 25 5.078 -12.805 2.676 1.00 0.00 C ATOM 396 O LEU A 25 4.306 -11.918 3.013 1.00 0.00 O ATOM 397 CB LEU A 25 5.679 -13.101 0.242 1.00 0.00 C ATOM 398 CG LEU A 25 5.801 -14.611 -0.006 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.911 -15.417 0.926 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.447 -14.924 -1.450 1.00 0.00 C ATOM 0 H LEU A 25 7.698 -13.944 1.498 1.00 0.00 H new ATOM 0 HA LEU A 25 6.271 -11.486 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.635 -12.821 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.254 -12.587 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 25 6.834 -14.895 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.030 -16.480 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.193 -15.219 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.870 -15.131 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.535 -15.997 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.424 -14.607 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.128 -14.393 -2.115 1.00 0.00 H new ATOM 412 N GLU A 26 5.064 -13.998 3.245 1.00 0.00 N ATOM 413 CA GLU A 26 4.112 -14.289 4.294 1.00 0.00 C ATOM 414 C GLU A 26 4.286 -13.251 5.391 1.00 0.00 C ATOM 415 O GLU A 26 3.362 -12.955 6.142 1.00 0.00 O ATOM 416 CB GLU A 26 4.296 -15.709 4.830 1.00 0.00 C ATOM 417 CG GLU A 26 3.450 -16.015 6.055 1.00 0.00 C ATOM 418 CD GLU A 26 3.652 -17.427 6.570 1.00 0.00 C ATOM 419 OE1 GLU A 26 4.456 -18.171 5.968 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.004 -17.791 7.574 1.00 0.00 O ATOM 0 H GLU A 26 5.690 -14.766 3.002 1.00 0.00 H new ATOM 0 HA GLU A 26 3.097 -14.238 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.048 -16.420 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.347 -15.861 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.694 -15.306 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.398 -15.869 5.810 1.00 0.00 H new ATOM 427 N GLU A 27 5.487 -12.681 5.446 1.00 0.00 N ATOM 428 CA GLU A 27 5.801 -11.645 6.420 1.00 0.00 C ATOM 429 C GLU A 27 5.357 -10.269 5.920 1.00 0.00 C ATOM 430 O GLU A 27 4.641 -9.550 6.612 1.00 0.00 O ATOM 431 CB GLU A 27 7.303 -11.637 6.716 1.00 0.00 C ATOM 432 CG GLU A 27 7.743 -10.481 7.598 1.00 0.00 C ATOM 433 CD GLU A 27 9.215 -10.548 7.955 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.628 -11.549 8.579 1.00 0.00 O ATOM 435 OE2 GLU A 27 9.954 -9.602 7.612 1.00 0.00 O ATOM 0 H GLU A 27 6.259 -12.922 4.825 1.00 0.00 H new ATOM 0 HA GLU A 27 5.257 -11.866 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.575 -12.576 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.850 -11.593 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.539 -9.540 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.151 -10.481 8.513 1.00 0.00 H new ATOM 442 N MET A 28 5.803 -9.906 4.718 1.00 0.00 N ATOM 443 CA MET A 28 5.471 -8.610 4.125 1.00 0.00 C ATOM 444 C MET A 28 4.176 -8.663 3.314 1.00 0.00 C ATOM 445 O MET A 28 3.316 -7.795 3.440 1.00 0.00 O ATOM 446 CB MET A 28 6.616 -8.131 3.231 1.00 0.00 C ATOM 447 CG MET A 28 7.953 -8.039 3.947 1.00 0.00 C ATOM 448 SD MET A 28 7.912 -6.922 5.361 1.00 0.00 S ATOM 449 CE MET A 28 9.618 -6.997 5.897 1.00 0.00 C ATOM 0 H MET A 28 6.398 -10.493 4.133 1.00 0.00 H new ATOM 0 HA MET A 28 5.323 -7.908 4.946 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.713 -8.811 2.385 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.363 -7.151 2.825 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.249 -9.033 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.714 -7.700 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.665 -6.874 6.979 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.043 -7.962 5.623 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.186 -6.200 5.416 1.00 0.00 H new ATOM 459 N LEU A 29 4.057 -9.688 2.479 1.00 0.00 N ATOM 460 CA LEU A 29 2.877 -9.880 1.626 1.00 0.00 C ATOM 461 C LEU A 29 1.616 -10.038 2.475 1.00 0.00 C ATOM 462 O LEU A 29 0.508 -9.763 2.015 1.00 0.00 O ATOM 463 CB LEU A 29 3.120 -11.084 0.697 1.00 0.00 C ATOM 464 CG LEU A 29 1.917 -11.599 -0.095 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.444 -10.556 -1.085 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.285 -12.880 -0.827 1.00 0.00 C ATOM 0 H LEU A 29 4.769 -10.410 2.370 1.00 0.00 H new ATOM 0 HA LEU A 29 2.718 -8.999 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.903 -10.813 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.506 -11.906 1.300 1.00 0.00 H new ATOM 0 HG LEU A 29 1.107 -11.806 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.588 -10.942 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.153 -9.652 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.250 -10.322 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.422 -13.239 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.108 -12.683 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.589 -13.637 -0.104 1.00 0.00 H new ATOM 478 N GLU A 30 1.794 -10.450 3.725 1.00 0.00 N ATOM 479 CA GLU A 30 0.671 -10.606 4.650 1.00 0.00 C ATOM 480 C GLU A 30 0.226 -9.252 5.193 1.00 0.00 C ATOM 481 O GLU A 30 -0.953 -9.041 5.481 1.00 0.00 O ATOM 482 CB GLU A 30 1.055 -11.516 5.817 1.00 0.00 C ATOM 483 CG GLU A 30 0.001 -11.586 6.911 1.00 0.00 C ATOM 484 CD GLU A 30 0.409 -12.488 8.060 1.00 0.00 C ATOM 485 OE1 GLU A 30 0.639 -13.691 7.815 1.00 0.00 O ATOM 486 OE2 GLU A 30 0.502 -11.991 9.201 1.00 0.00 O ATOM 0 H GLU A 30 2.704 -10.683 4.124 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.153 -11.058 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.239 -12.521 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.991 -11.162 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.189 -10.582 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.935 -11.948 6.485 1.00 0.00 H new ATOM 493 N LYS A 31 1.181 -8.343 5.343 1.00 0.00 N ATOM 494 CA LYS A 31 0.894 -7.014 5.862 1.00 0.00 C ATOM 495 C LYS A 31 0.477 -6.101 4.733 1.00 0.00 C ATOM 496 O LYS A 31 -0.353 -5.208 4.897 1.00 0.00 O ATOM 497 CB LYS A 31 2.121 -6.457 6.575 1.00 0.00 C ATOM 498 CG LYS A 31 2.827 -7.504 7.409 1.00 0.00 C ATOM 499 CD LYS A 31 1.910 -8.097 8.467 1.00 0.00 C ATOM 500 CE LYS A 31 2.559 -9.282 9.163 1.00 0.00 C ATOM 501 NZ LYS A 31 3.831 -8.905 9.839 1.00 0.00 N ATOM 0 H LYS A 31 2.162 -8.503 5.112 1.00 0.00 H new ATOM 0 HA LYS A 31 0.076 -7.078 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.815 -6.055 5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.821 -5.628 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.194 -8.299 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.697 -7.058 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.660 -7.333 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.975 -8.412 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.867 -9.695 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.755 -10.068 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.161 -9.698 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.551 -8.680 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.670 -8.073 10.442 1.00 0.00 H new ATOM 515 N LEU A 32 1.069 -6.347 3.580 1.00 0.00 N ATOM 516 CA LEU A 32 0.781 -5.573 2.394 1.00 0.00 C ATOM 517 C LEU A 32 -0.664 -5.778 1.972 1.00 0.00 C ATOM 518 O LEU A 32 -1.264 -4.922 1.326 1.00 0.00 O ATOM 519 CB LEU A 32 1.723 -5.973 1.277 1.00 0.00 C ATOM 520 CG LEU A 32 1.701 -5.036 0.074 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.758 -3.583 0.521 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.859 -5.349 -0.849 1.00 0.00 C ATOM 0 H LEU A 32 1.759 -7.085 3.442 1.00 0.00 H new ATOM 0 HA LEU A 32 0.928 -4.516 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.738 -6.016 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.467 -6.979 0.944 1.00 0.00 H new ATOM 0 HG LEU A 32 0.767 -5.189 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.741 -2.932 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.898 -3.363 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.676 -3.411 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.835 -4.675 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.798 -5.219 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.779 -6.379 -1.196 1.00 0.00 H new ATOM 534 N GLU A 33 -1.223 -6.920 2.348 1.00 0.00 N ATOM 535 CA GLU A 33 -2.611 -7.212 2.017 1.00 0.00 C ATOM 536 C GLU A 33 -3.528 -6.599 3.061 1.00 0.00 C ATOM 537 O GLU A 33 -4.547 -5.997 2.731 1.00 0.00 O ATOM 538 CB GLU A 33 -2.864 -8.715 1.915 1.00 0.00 C ATOM 539 CG GLU A 33 -2.652 -9.464 3.221 1.00 0.00 C ATOM 540 CD GLU A 33 -3.310 -10.830 3.235 1.00 0.00 C ATOM 541 OE1 GLU A 33 -4.015 -11.162 2.258 1.00 0.00 O ATOM 542 OE2 GLU A 33 -3.131 -11.565 4.230 1.00 0.00 O ATOM 0 H GLU A 33 -0.745 -7.651 2.875 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.822 -6.775 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.886 -8.879 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.204 -9.134 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.583 -9.580 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.048 -8.868 4.043 1.00 0.00 H new ATOM 549 N VAL A 34 -3.153 -6.753 4.329 1.00 0.00 N ATOM 550 CA VAL A 34 -3.943 -6.206 5.416 1.00 0.00 C ATOM 551 C VAL A 34 -3.964 -4.684 5.347 1.00 0.00 C ATOM 552 O VAL A 34 -4.967 -4.060 5.705 1.00 0.00 O ATOM 553 CB VAL A 34 -3.451 -6.678 6.798 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.615 -8.182 6.933 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.008 -6.279 7.032 1.00 0.00 C ATOM 0 H VAL A 34 -2.312 -7.250 4.622 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.958 -6.583 5.294 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.061 -6.189 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.263 -8.500 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.667 -8.445 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.033 -8.682 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.689 -6.626 8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.377 -6.730 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.918 -5.194 6.983 1.00 0.00 H new ATOM 565 N VAL A 35 -2.875 -4.077 4.852 1.00 0.00 N ATOM 566 CA VAL A 35 -2.848 -2.624 4.716 1.00 0.00 C ATOM 567 C VAL A 35 -4.028 -2.214 3.861 1.00 0.00 C ATOM 568 O VAL A 35 -4.763 -1.288 4.195 1.00 0.00 O ATOM 569 CB VAL A 35 -1.552 -2.067 4.071 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.343 -2.296 4.956 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.323 -2.657 2.695 1.00 0.00 C ATOM 0 H VAL A 35 -2.028 -4.557 4.549 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.891 -2.209 5.723 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.688 -0.991 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.545 -1.892 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.492 -1.796 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.211 -3.365 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.407 -2.246 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.232 -3.740 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.165 -2.410 2.048 1.00 0.00 H new ATOM 581 N VAL A 36 -4.231 -2.941 2.764 1.00 0.00 N ATOM 582 CA VAL A 36 -5.356 -2.662 1.891 1.00 0.00 C ATOM 583 C VAL A 36 -6.635 -3.191 2.514 1.00 0.00 C ATOM 584 O VAL A 36 -7.680 -2.587 2.392 1.00 0.00 O ATOM 585 CB VAL A 36 -5.205 -3.244 0.471 1.00 0.00 C ATOM 586 CG1 VAL A 36 -5.345 -2.129 -0.555 1.00 0.00 C ATOM 587 CG2 VAL A 36 -3.888 -3.994 0.301 1.00 0.00 C ATOM 0 H VAL A 36 -3.638 -3.715 2.466 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.392 -1.578 1.783 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.999 -3.973 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.238 -2.542 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.326 -1.665 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.571 -1.380 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.822 -4.388 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.056 -3.313 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.844 -4.818 1.014 1.00 0.00 H new ATOM 597 N ASN A 37 -6.548 -4.313 3.208 1.00 0.00 N ATOM 598 CA ASN A 37 -7.721 -4.876 3.864 1.00 0.00 C ATOM 599 C ASN A 37 -8.495 -3.755 4.527 1.00 0.00 C ATOM 600 O ASN A 37 -9.727 -3.708 4.485 1.00 0.00 O ATOM 601 CB ASN A 37 -7.288 -5.901 4.906 1.00 0.00 C ATOM 602 CG ASN A 37 -8.457 -6.583 5.587 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.308 -7.187 4.933 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.496 -6.495 6.912 1.00 0.00 N ATOM 0 H ASN A 37 -5.689 -4.849 3.333 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.354 -5.373 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.663 -6.655 4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.673 -5.408 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.254 -6.939 7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.768 -5.984 7.411 1.00 0.00 H new ATOM 611 N GLU A 38 -7.743 -2.833 5.107 1.00 0.00 N ATOM 612 CA GLU A 38 -8.318 -1.669 5.766 1.00 0.00 C ATOM 613 C GLU A 38 -8.801 -0.652 4.732 1.00 0.00 C ATOM 614 O GLU A 38 -9.909 -0.125 4.839 1.00 0.00 O ATOM 615 CB GLU A 38 -7.295 -1.022 6.697 1.00 0.00 C ATOM 616 CG GLU A 38 -6.808 -1.945 7.802 1.00 0.00 C ATOM 617 CD GLU A 38 -5.798 -1.280 8.718 1.00 0.00 C ATOM 618 OE1 GLU A 38 -5.476 -0.096 8.489 1.00 0.00 O ATOM 619 OE2 GLU A 38 -5.329 -1.946 9.666 1.00 0.00 O ATOM 0 H GLU A 38 -6.724 -2.869 5.135 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.172 -1.999 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.439 -0.691 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.737 -0.133 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.661 -2.281 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.359 -2.833 7.357 1.00 0.00 H new ATOM 626 N ARG A 39 -7.964 -0.384 3.731 1.00 0.00 N ATOM 627 CA ARG A 39 -8.310 0.566 2.675 1.00 0.00 C ATOM 628 C ARG A 39 -9.358 -0.026 1.730 1.00 0.00 C ATOM 629 O ARG A 39 -10.392 0.572 1.481 1.00 0.00 O ATOM 630 CB ARG A 39 -7.072 0.977 1.875 1.00 0.00 C ATOM 631 CG ARG A 39 -6.063 1.849 2.617 1.00 0.00 C ATOM 632 CD ARG A 39 -5.711 1.312 3.991 1.00 0.00 C ATOM 633 NE ARG A 39 -6.681 1.709 5.006 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.879 2.969 5.375 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.179 3.942 4.811 1.00 0.00 N ATOM 636 NH2 ARG A 39 -7.780 3.258 6.304 1.00 0.00 N ATOM 0 H ARG A 39 -7.043 -0.810 3.629 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.726 1.451 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.564 0.074 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.399 1.511 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.154 1.930 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.468 2.856 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.656 0.224 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.722 1.671 4.277 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.236 0.981 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.488 3.723 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.331 4.910 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.323 2.511 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.930 4.227 6.585 1.00 0.00 H new ATOM 650 N ARG A 40 -9.090 -1.214 1.213 1.00 0.00 N ATOM 651 CA ARG A 40 -10.026 -1.875 0.306 1.00 0.00 C ATOM 652 C ARG A 40 -11.456 -1.735 0.824 1.00 0.00 C ATOM 653 O ARG A 40 -12.391 -1.538 0.048 1.00 0.00 O ATOM 654 CB ARG A 40 -9.674 -3.363 0.140 1.00 0.00 C ATOM 655 CG ARG A 40 -8.431 -3.621 -0.705 1.00 0.00 C ATOM 656 CD ARG A 40 -8.554 -2.996 -2.087 1.00 0.00 C ATOM 657 NE ARG A 40 -9.738 -3.467 -2.799 1.00 0.00 N ATOM 658 CZ ARG A 40 -10.075 -3.063 -4.020 1.00 0.00 C ATOM 659 NH1 ARG A 40 -9.321 -2.179 -4.661 1.00 0.00 N ATOM 660 NH2 ARG A 40 -11.167 -3.540 -4.599 1.00 0.00 N ATOM 0 H ARG A 40 -8.238 -1.742 1.402 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.950 -1.391 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.526 -3.802 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.521 -3.877 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.555 -3.216 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.274 -4.695 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.597 -1.911 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.664 -3.230 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.341 -4.145 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.481 -1.808 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.581 -1.870 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.750 -4.218 -4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.425 -3.229 -5.536 1.00 0.00 H new ATOM 674 N GLU A 41 -11.615 -1.837 2.141 1.00 0.00 N ATOM 675 CA GLU A 41 -12.931 -1.724 2.765 1.00 0.00 C ATOM 676 C GLU A 41 -13.330 -0.267 3.048 1.00 0.00 C ATOM 677 O GLU A 41 -14.468 0.130 2.789 1.00 0.00 O ATOM 678 CB GLU A 41 -12.964 -2.524 4.069 1.00 0.00 C ATOM 679 CG GLU A 41 -12.708 -4.013 3.881 1.00 0.00 C ATOM 680 CD GLU A 41 -13.782 -4.698 3.059 1.00 0.00 C ATOM 681 OE1 GLU A 41 -13.954 -4.330 1.877 1.00 0.00 O ATOM 682 OE2 GLU A 41 -14.453 -5.604 3.597 1.00 0.00 O ATOM 0 H GLU A 41 -10.850 -1.998 2.796 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.653 -2.129 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.217 -2.119 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.936 -2.389 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.742 -4.152 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.645 -4.492 4.858 1.00 0.00 H new ATOM 689 N GLU A 42 -12.405 0.518 3.601 1.00 0.00 N ATOM 690 CA GLU A 42 -12.686 1.917 3.940 1.00 0.00 C ATOM 691 C GLU A 42 -12.486 2.846 2.747 1.00 0.00 C ATOM 692 O GLU A 42 -13.291 3.741 2.501 1.00 0.00 O ATOM 693 CB GLU A 42 -11.793 2.366 5.099 1.00 0.00 C ATOM 694 CG GLU A 42 -11.991 1.559 6.373 1.00 0.00 C ATOM 695 CD GLU A 42 -13.378 1.721 6.969 1.00 0.00 C ATOM 696 OE1 GLU A 42 -14.182 2.495 6.407 1.00 0.00 O ATOM 697 OE2 GLU A 42 -13.657 1.078 8.001 1.00 0.00 O ATOM 0 H GLU A 42 -11.458 0.212 3.824 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.733 1.976 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.750 2.292 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.990 3.417 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.814 0.505 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.247 1.864 7.109 1.00 0.00 H new ATOM 704 N GLU A 43 -11.400 2.635 2.025 1.00 0.00 N ATOM 705 CA GLU A 43 -11.076 3.452 0.863 1.00 0.00 C ATOM 706 C GLU A 43 -12.221 3.439 -0.138 1.00 0.00 C ATOM 707 O GLU A 43 -12.655 4.492 -0.608 1.00 0.00 O ATOM 708 CB GLU A 43 -9.791 2.953 0.210 1.00 0.00 C ATOM 709 CG GLU A 43 -9.171 3.951 -0.753 1.00 0.00 C ATOM 710 CD GLU A 43 -10.037 4.216 -1.968 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.357 3.251 -2.692 1.00 0.00 O ATOM 712 OE2 GLU A 43 -10.398 5.392 -2.194 1.00 0.00 O ATOM 0 H GLU A 43 -10.721 1.900 2.223 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.924 4.479 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.067 2.714 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.001 2.027 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.992 4.890 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.200 3.578 -1.080 1.00 0.00 H new ATOM 719 N SER A 44 -12.729 2.246 -0.441 1.00 0.00 N ATOM 720 CA SER A 44 -13.849 2.121 -1.364 1.00 0.00 C ATOM 721 C SER A 44 -14.993 2.977 -0.847 1.00 0.00 C ATOM 722 O SER A 44 -15.723 3.610 -1.614 1.00 0.00 O ATOM 723 CB SER A 44 -14.287 0.662 -1.488 1.00 0.00 C ATOM 724 OG SER A 44 -14.699 0.144 -0.234 1.00 0.00 O ATOM 0 H SER A 44 -12.386 1.362 -0.064 1.00 0.00 H new ATOM 0 HA SER A 44 -13.548 2.460 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.106 0.584 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.464 0.064 -1.879 1.00 0.00 H new ATOM 0 HG SER A 44 -14.040 -0.508 0.083 1.00 0.00 H new ATOM 730 N ALA A 45 -15.108 3.004 0.476 1.00 0.00 N ATOM 731 CA ALA A 45 -16.122 3.791 1.154 1.00 0.00 C ATOM 732 C ALA A 45 -15.861 5.277 0.935 1.00 0.00 C ATOM 733 O ALA A 45 -16.786 6.056 0.709 1.00 0.00 O ATOM 734 CB ALA A 45 -16.117 3.459 2.638 1.00 0.00 C ATOM 0 H ALA A 45 -14.500 2.480 1.105 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.103 3.550 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.879 4.051 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.330 2.399 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.138 3.689 3.059 1.00 0.00 H new ATOM 740 N ALA A 46 -14.584 5.655 0.994 1.00 0.00 N ATOM 741 CA ALA A 46 -14.178 7.040 0.793 1.00 0.00 C ATOM 742 C ALA A 46 -14.516 7.493 -0.622 1.00 0.00 C ATOM 743 O ALA A 46 -14.962 8.622 -0.835 1.00 0.00 O ATOM 744 CB ALA A 46 -12.686 7.198 1.058 1.00 0.00 C ATOM 0 H ALA A 46 -13.812 5.015 1.181 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.725 7.667 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.397 8.238 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.466 6.909 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.125 6.561 0.374 1.00 0.00 H new ATOM 947 N GLU B 2 -10.363 -8.017 -1.576 1.00 0.00 N ATOM 948 CA GLU B 2 -9.523 -7.835 -2.754 1.00 0.00 C ATOM 949 C GLU B 2 -8.052 -8.003 -2.393 1.00 0.00 C ATOM 950 O GLU B 2 -7.281 -8.583 -3.151 1.00 0.00 O ATOM 951 CB GLU B 2 -9.759 -6.455 -3.369 1.00 0.00 C ATOM 952 CG GLU B 2 -8.935 -6.197 -4.620 1.00 0.00 C ATOM 953 CD GLU B 2 -9.232 -7.187 -5.729 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.399 -7.252 -6.170 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.297 -7.895 -6.158 1.00 0.00 O ATOM 0 HA GLU B 2 -9.791 -8.596 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.816 -6.351 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.526 -5.691 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.132 -5.186 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.875 -6.246 -4.369 1.00 0.00 H new ATOM 962 N ALA B 3 -7.679 -7.494 -1.225 1.00 0.00 N ATOM 963 CA ALA B 3 -6.305 -7.588 -0.744 1.00 0.00 C ATOM 964 C ALA B 3 -6.044 -8.969 -0.171 1.00 0.00 C ATOM 965 O ALA B 3 -4.905 -9.407 -0.033 1.00 0.00 O ATOM 966 CB ALA B 3 -6.035 -6.519 0.299 1.00 0.00 C ATOM 0 H ALA B 3 -8.313 -7.009 -0.590 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.629 -7.427 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.006 -6.603 0.648 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.190 -5.534 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.715 -6.652 1.140 1.00 0.00 H new ATOM 972 N LEU B 4 -7.124 -9.638 0.166 1.00 0.00 N ATOM 973 CA LEU B 4 -7.070 -10.971 0.726 1.00 0.00 C ATOM 974 C LEU B 4 -6.923 -11.997 -0.390 1.00 0.00 C ATOM 975 O LEU B 4 -6.143 -12.944 -0.293 1.00 0.00 O ATOM 976 CB LEU B 4 -8.357 -11.223 1.511 1.00 0.00 C ATOM 977 CG LEU B 4 -8.533 -10.408 2.803 1.00 0.00 C ATOM 978 CD1 LEU B 4 -8.023 -8.980 2.650 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.995 -10.401 3.203 1.00 0.00 C ATOM 0 H LEU B 4 -8.070 -9.271 0.059 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.211 -11.062 1.391 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.204 -11.016 0.857 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.402 -12.282 1.765 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.938 -10.883 3.584 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.167 -8.440 3.586 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.962 -8.997 2.400 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.575 -8.480 1.854 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.119 -9.823 4.119 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.588 -9.951 2.407 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.331 -11.424 3.371 1.00 0.00 H new ATOM 991 N LYS B 5 -7.691 -11.785 -1.449 1.00 0.00 N ATOM 992 CA LYS B 5 -7.688 -12.659 -2.611 1.00 0.00 C ATOM 993 C LYS B 5 -6.567 -12.276 -3.577 1.00 0.00 C ATOM 994 O LYS B 5 -6.109 -13.104 -4.364 1.00 0.00 O ATOM 995 CB LYS B 5 -9.057 -12.596 -3.302 1.00 0.00 C ATOM 996 CG LYS B 5 -9.236 -13.578 -4.452 1.00 0.00 C ATOM 997 CD LYS B 5 -8.570 -13.084 -5.723 1.00 0.00 C ATOM 998 CE LYS B 5 -8.746 -14.072 -6.864 1.00 0.00 C ATOM 999 NZ LYS B 5 -8.080 -13.605 -8.112 1.00 0.00 N ATOM 0 H LYS B 5 -8.336 -10.999 -1.526 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.504 -13.683 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.833 -12.783 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.213 -11.585 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.816 -14.545 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.299 -13.733 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -8.994 -12.120 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.508 -12.924 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.335 -15.039 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -9.809 -14.221 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.224 -14.307 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -8.489 -12.695 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -7.061 -13.487 -7.939 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.113 -11.023 -3.506 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.044 -10.553 -4.372 1.00 0.00 C ATOM 1015 C ILE B 6 -3.860 -11.489 -4.263 1.00 0.00 C ATOM 1016 O ILE B 6 -3.261 -11.890 -5.261 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.580 -9.136 -3.971 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.560 -8.601 -4.974 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -3.980 -9.154 -2.577 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.882 -7.335 -4.510 1.00 0.00 C ATOM 0 H ILE B 6 -6.471 -10.322 -2.858 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.426 -10.526 -5.392 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.448 -8.477 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.804 -9.365 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -4.059 -8.412 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.657 -8.149 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -4.728 -9.499 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.123 -9.828 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.169 -7.006 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.630 -6.558 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.356 -7.526 -3.574 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.541 -11.830 -3.028 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.444 -12.717 -2.739 1.00 0.00 C ATOM 1034 C LEU B 7 -2.984 -14.087 -2.349 1.00 0.00 C ATOM 1035 O LEU B 7 -2.232 -15.053 -2.220 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.578 -12.106 -1.630 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.708 -12.738 -0.243 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.718 -13.878 -0.081 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.497 -11.688 0.833 1.00 0.00 C ATOM 0 H LEU B 7 -4.038 -11.497 -2.202 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.818 -12.847 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.534 -12.168 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.824 -11.047 -1.548 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.714 -13.145 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.826 -14.315 0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.913 -14.640 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.297 -13.499 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.592 -12.150 1.816 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.502 -11.256 0.730 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.246 -10.903 0.727 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.304 -14.155 -2.160 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.961 -15.400 -1.774 1.00 0.00 C ATOM 1053 C ASN B 8 -4.475 -15.860 -0.403 1.00 0.00 C ATOM 1054 O ASN B 8 -4.364 -17.059 -0.141 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.698 -16.495 -2.813 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.129 -16.092 -4.210 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -4.600 -15.139 -4.783 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -6.093 -16.816 -4.765 1.00 0.00 N ATOM 0 H ASN B 8 -4.936 -13.362 -2.269 1.00 0.00 H new ATOM 0 HA ASN B 8 -6.034 -15.214 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.635 -16.735 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -5.228 -17.402 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -6.424 -16.591 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.503 -17.597 -4.253 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.193 -14.893 0.467 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.719 -15.169 1.820 1.00 0.00 C ATOM 1067 C ASN B 9 -2.379 -15.902 1.807 1.00 0.00 C ATOM 1068 O ASN B 9 -2.230 -16.941 1.166 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.758 -15.988 2.591 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.094 -15.277 2.726 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.183 -14.058 2.202 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -7.040 -15.818 3.298 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.286 -13.900 0.255 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.573 -14.212 2.321 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -4.910 -16.941 2.085 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.371 -16.213 3.585 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -6.933 -16.755 3.687 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.931 -15.330 3.383 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.409 -15.348 2.530 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.074 -15.936 2.620 1.00 0.00 C ATOM 1081 C ILE B 10 -0.136 -17.398 3.050 1.00 0.00 C ATOM 1082 O ILE B 10 0.731 -18.192 2.695 1.00 0.00 O ATOM 1083 CB ILE B 10 0.834 -15.159 3.595 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.201 -15.054 4.992 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.148 -13.781 3.030 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -0.969 -14.091 5.082 1.00 0.00 C ATOM 0 H ILE B 10 -1.523 -14.487 3.065 1.00 0.00 H new ATOM 0 HA ILE B 10 0.355 -15.874 1.620 1.00 0.00 H new ATOM 0 HB ILE B 10 1.767 -15.711 3.706 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.135 -16.044 5.300 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.967 -14.742 5.702 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.790 -13.240 3.726 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.659 -13.888 2.073 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.221 -13.227 2.886 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.354 -14.080 6.102 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.638 -13.089 4.808 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.757 -14.411 4.401 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.164 -17.751 3.810 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.331 -19.122 4.278 1.00 0.00 C ATOM 1100 C ARG B 11 -1.437 -20.090 3.101 1.00 0.00 C ATOM 1101 O ARG B 11 -0.769 -21.125 3.069 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.577 -19.232 5.159 1.00 0.00 C ATOM 1103 CG ARG B 11 -3.853 -18.793 4.460 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.071 -18.959 5.355 1.00 0.00 C ATOM 1105 NE ARG B 11 -6.301 -18.555 4.681 1.00 0.00 N ATOM 1106 CZ ARG B 11 -7.507 -18.631 5.238 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -7.643 -19.100 6.472 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -8.577 -18.240 4.560 1.00 0.00 N ATOM 0 H ARG B 11 -1.895 -17.108 4.116 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.453 -19.390 4.866 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -2.689 -20.265 5.489 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.435 -18.626 6.053 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.762 -17.749 4.159 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -3.988 -19.377 3.549 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.153 -20.000 5.667 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -4.941 -18.365 6.259 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.232 -18.194 3.729 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.822 -19.403 6.996 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.569 -19.157 6.897 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.476 -17.881 3.611 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.501 -18.299 4.988 1.00 0.00 H new ATOM 1122 N THR B 12 -2.287 -19.747 2.138 1.00 0.00 N ATOM 1123 CA THR B 12 -2.494 -20.579 0.960 1.00 0.00 C ATOM 1124 C THR B 12 -1.382 -20.384 -0.068 1.00 0.00 C ATOM 1125 O THR B 12 -0.937 -21.341 -0.704 1.00 0.00 O ATOM 1126 CB THR B 12 -3.850 -20.278 0.295 1.00 0.00 C ATOM 1127 OG1 THR B 12 -4.915 -20.528 1.221 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.047 -21.130 -0.950 1.00 0.00 C ATOM 0 H THR B 12 -2.846 -18.894 2.152 1.00 0.00 H new ATOM 0 HA THR B 12 -2.482 -21.614 1.303 1.00 0.00 H new ATOM 0 HB THR B 12 -3.859 -19.228 0.002 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.774 -20.333 0.792 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.012 -20.898 -1.401 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.252 -20.918 -1.665 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.018 -22.185 -0.677 1.00 0.00 H new ATOM 1136 N LEU B 13 -0.951 -19.136 -0.240 1.00 0.00 N ATOM 1137 CA LEU B 13 0.093 -18.821 -1.208 1.00 0.00 C ATOM 1138 C LEU B 13 1.416 -19.480 -0.836 1.00 0.00 C ATOM 1139 O LEU B 13 2.020 -20.171 -1.649 1.00 0.00 O ATOM 1140 CB LEU B 13 0.279 -17.305 -1.327 1.00 0.00 C ATOM 1141 CG LEU B 13 1.228 -16.852 -2.444 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.094 -15.358 -2.683 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.669 -17.217 -2.117 1.00 0.00 C ATOM 0 H LEU B 13 -1.307 -18.332 0.276 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.225 -19.217 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.696 -16.847 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.654 -16.925 -0.377 1.00 0.00 H new ATOM 0 HG LEU B 13 0.949 -17.374 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.774 -15.054 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.069 -15.127 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.342 -14.820 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.321 -16.885 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.966 -16.730 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.754 -18.298 -2.004 1.00 0.00 H new ATOM 1155 N ARG B 14 1.866 -19.248 0.390 1.00 0.00 N ATOM 1156 CA ARG B 14 3.125 -19.805 0.869 1.00 0.00 C ATOM 1157 C ARG B 14 3.215 -21.297 0.571 1.00 0.00 C ATOM 1158 O ARG B 14 4.303 -21.838 0.393 1.00 0.00 O ATOM 1159 CB ARG B 14 3.267 -19.533 2.372 1.00 0.00 C ATOM 1160 CG ARG B 14 4.482 -20.175 3.022 1.00 0.00 C ATOM 1161 CD ARG B 14 4.210 -21.616 3.413 1.00 0.00 C ATOM 1162 NE ARG B 14 5.383 -22.257 4.004 1.00 0.00 N ATOM 1163 CZ ARG B 14 5.978 -21.834 5.117 1.00 0.00 C ATOM 1164 NH1 ARG B 14 5.509 -20.775 5.765 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.043 -22.470 5.582 1.00 0.00 N ATOM 0 H ARG B 14 1.374 -18.674 1.075 1.00 0.00 H new ATOM 0 HA ARG B 14 3.947 -19.321 0.343 1.00 0.00 H new ATOM 0 HB2 ARG B 14 3.315 -18.455 2.529 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.370 -19.890 2.878 1.00 0.00 H new ATOM 0 HG2 ARG B 14 5.326 -20.137 2.334 1.00 0.00 H new ATOM 0 HG3 ARG B 14 4.766 -19.605 3.906 1.00 0.00 H new ATOM 0 HD2 ARG B 14 3.384 -21.649 4.123 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.896 -22.177 2.533 1.00 0.00 H new ATOM 0 HE ARG B 14 5.769 -23.077 3.536 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.690 -20.282 5.410 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.968 -20.454 6.618 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.407 -23.284 5.087 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.499 -22.146 6.435 1.00 0.00 H new ATOM 1179 N ALA B 15 2.063 -21.955 0.527 1.00 0.00 N ATOM 1180 CA ALA B 15 2.007 -23.390 0.260 1.00 0.00 C ATOM 1181 C ALA B 15 1.981 -23.701 -1.231 1.00 0.00 C ATOM 1182 O ALA B 15 2.761 -24.520 -1.717 1.00 0.00 O ATOM 1183 CB ALA B 15 0.787 -23.990 0.923 1.00 0.00 C ATOM 0 H ALA B 15 1.153 -21.518 0.673 1.00 0.00 H new ATOM 0 HA ALA B 15 2.914 -23.831 0.673 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.752 -25.060 0.720 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.841 -23.827 1.999 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.112 -23.516 0.528 1.00 0.00 H new ATOM 1189 N GLN B 16 1.074 -23.053 -1.956 1.00 0.00 N ATOM 1190 CA GLN B 16 0.949 -23.279 -3.393 1.00 0.00 C ATOM 1191 C GLN B 16 2.223 -22.850 -4.098 1.00 0.00 C ATOM 1192 O GLN B 16 2.631 -23.434 -5.102 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.249 -22.509 -3.957 1.00 0.00 C ATOM 1194 CG GLN B 16 -0.134 -21.007 -3.771 1.00 0.00 C ATOM 1195 CD GLN B 16 -1.340 -20.246 -4.292 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.993 -19.496 -3.408 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -1.679 -20.329 -5.473 1.00 0.00 N flip ATOM 0 H GLN B 16 0.418 -22.371 -1.575 1.00 0.00 H new ATOM 0 HA GLN B 16 0.787 -24.343 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.348 -22.731 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.160 -22.860 -3.472 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -0.004 -20.787 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.761 -20.651 -4.282 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.148 -20.917 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.490 -19.810 -5.808 1.00 0.00 H new ATOM 1206 N ALA B 17 2.845 -21.828 -3.541 1.00 0.00 N ATOM 1207 CA ALA B 17 4.084 -21.290 -4.069 1.00 0.00 C ATOM 1208 C ALA B 17 5.265 -22.062 -3.523 1.00 0.00 C ATOM 1209 O ALA B 17 6.334 -22.087 -4.128 1.00 0.00 O ATOM 1210 CB ALA B 17 4.218 -19.823 -3.724 1.00 0.00 C ATOM 0 H ALA B 17 2.505 -21.347 -2.708 1.00 0.00 H new ATOM 0 HA ALA B 17 4.067 -21.391 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.154 -19.438 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.382 -19.270 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.214 -19.702 -2.641 1.00 0.00 H new ATOM 1216 N ARG B 18 5.062 -22.687 -2.365 1.00 0.00 N ATOM 1217 CA ARG B 18 6.110 -23.467 -1.726 1.00 0.00 C ATOM 1218 C ARG B 18 6.793 -24.368 -2.745 1.00 0.00 C ATOM 1219 O ARG B 18 7.987 -24.651 -2.644 1.00 0.00 O ATOM 1220 CB ARG B 18 5.512 -24.306 -0.603 1.00 0.00 C ATOM 1221 CG ARG B 18 6.521 -25.154 0.143 1.00 0.00 C ATOM 1222 CD ARG B 18 5.843 -25.930 1.253 1.00 0.00 C ATOM 1223 NE ARG B 18 6.780 -26.769 1.997 1.00 0.00 N ATOM 1224 CZ ARG B 18 7.455 -27.783 1.461 1.00 0.00 C ATOM 1225 NH1 ARG B 18 7.290 -28.094 0.181 1.00 0.00 N ATOM 1226 NH2 ARG B 18 8.293 -28.488 2.206 1.00 0.00 N ATOM 0 H ARG B 18 4.180 -22.666 -1.853 1.00 0.00 H new ATOM 0 HA ARG B 18 6.854 -22.788 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG B 18 5.016 -23.643 0.106 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.744 -24.958 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.006 -25.844 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.302 -24.518 0.560 1.00 0.00 H new ATOM 0 HD2 ARG B 18 5.360 -25.233 1.938 1.00 0.00 H new ATOM 0 HD3 ARG B 18 5.057 -26.555 0.829 1.00 0.00 H new ATOM 0 HE ARG B 18 6.925 -26.565 2.986 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.644 -27.555 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.809 -28.872 -0.226 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.421 -28.254 3.190 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.810 -29.265 1.795 1.00 0.00 H new ATOM 1240 N GLU B 19 6.021 -24.812 -3.731 1.00 0.00 N ATOM 1241 CA GLU B 19 6.545 -25.681 -4.778 1.00 0.00 C ATOM 1242 C GLU B 19 7.210 -24.873 -5.892 1.00 0.00 C ATOM 1243 O GLU B 19 7.280 -25.328 -7.033 1.00 0.00 O ATOM 1244 CB GLU B 19 5.421 -26.540 -5.361 1.00 0.00 C ATOM 1245 CG GLU B 19 4.731 -27.422 -4.335 1.00 0.00 C ATOM 1246 CD GLU B 19 3.621 -28.262 -4.936 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.390 -28.157 -6.160 1.00 0.00 O ATOM 1248 OE2 GLU B 19 2.981 -29.029 -4.185 1.00 0.00 O ATOM 0 H GLU B 19 5.031 -24.585 -3.827 1.00 0.00 H new ATOM 0 HA GLU B 19 7.300 -26.326 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.680 -25.888 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.830 -27.169 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.468 -28.079 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.319 -26.797 -3.543 1.00 0.00 H new ATOM 1255 N SER B 20 7.702 -23.680 -5.560 1.00 0.00 N ATOM 1256 CA SER B 20 8.360 -22.829 -6.550 1.00 0.00 C ATOM 1257 C SER B 20 9.217 -21.753 -5.879 1.00 0.00 C ATOM 1258 O SER B 20 9.662 -21.918 -4.744 1.00 0.00 O ATOM 1259 CB SER B 20 7.313 -22.173 -7.457 1.00 0.00 C ATOM 1260 OG SER B 20 6.526 -23.143 -8.122 1.00 0.00 O ATOM 0 H SER B 20 7.658 -23.284 -4.621 1.00 0.00 H new ATOM 0 HA SER B 20 9.017 -23.458 -7.150 1.00 0.00 H new ATOM 0 HB2 SER B 20 6.669 -21.525 -6.862 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.811 -21.540 -8.192 1.00 0.00 H new ATOM 0 HG SER B 20 6.974 -24.013 -8.079 1.00 0.00 H new ATOM 1266 N THR B 21 9.440 -20.652 -6.595 1.00 0.00 N ATOM 1267 CA THR B 21 10.243 -19.543 -6.086 1.00 0.00 C ATOM 1268 C THR B 21 9.353 -18.460 -5.483 1.00 0.00 C ATOM 1269 O THR B 21 8.168 -18.375 -5.806 1.00 0.00 O ATOM 1270 CB THR B 21 11.111 -18.927 -7.202 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.913 -19.944 -7.814 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.015 -17.832 -6.655 1.00 0.00 C ATOM 0 H THR B 21 9.073 -20.505 -7.535 1.00 0.00 H new ATOM 0 HA THR B 21 10.896 -19.944 -5.311 1.00 0.00 H new ATOM 0 HB THR B 21 10.443 -18.487 -7.943 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.460 -19.546 -8.523 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.615 -17.417 -7.465 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.405 -17.043 -6.214 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.673 -18.250 -5.894 1.00 0.00 H new ATOM 1280 N LEU B 22 9.925 -17.633 -4.609 1.00 0.00 N ATOM 1281 CA LEU B 22 9.181 -16.564 -3.977 1.00 0.00 C ATOM 1282 C LEU B 22 8.650 -15.596 -5.023 1.00 0.00 C ATOM 1283 O LEU B 22 7.812 -14.767 -4.722 1.00 0.00 O ATOM 1284 CB LEU B 22 10.032 -15.826 -2.938 1.00 0.00 C ATOM 1285 CG LEU B 22 10.599 -14.475 -3.377 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.150 -13.728 -2.175 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.672 -14.650 -4.440 1.00 0.00 C ATOM 0 H LEU B 22 10.904 -17.690 -4.327 1.00 0.00 H new ATOM 0 HA LEU B 22 8.336 -17.010 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.427 -15.671 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.863 -16.471 -2.652 1.00 0.00 H new ATOM 0 HG LEU B 22 9.792 -13.889 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.552 -12.767 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.352 -13.564 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.943 -14.316 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.057 -13.673 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.485 -15.255 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.244 -15.147 -5.311 1.00 0.00 H new ATOM 1299 N GLU B 23 9.151 -15.699 -6.253 1.00 0.00 N ATOM 1300 CA GLU B 23 8.716 -14.813 -7.335 1.00 0.00 C ATOM 1301 C GLU B 23 7.208 -14.577 -7.264 1.00 0.00 C ATOM 1302 O GLU B 23 6.705 -13.543 -7.713 1.00 0.00 O ATOM 1303 CB GLU B 23 9.085 -15.418 -8.690 1.00 0.00 C ATOM 1304 CG GLU B 23 8.696 -14.548 -9.874 1.00 0.00 C ATOM 1305 CD GLU B 23 9.052 -15.181 -11.203 1.00 0.00 C ATOM 1306 OE1 GLU B 23 8.547 -16.288 -11.489 1.00 0.00 O ATOM 1307 OE2 GLU B 23 9.833 -14.570 -11.962 1.00 0.00 O ATOM 0 H GLU B 23 9.856 -16.384 -6.526 1.00 0.00 H new ATOM 0 HA GLU B 23 9.224 -13.855 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.160 -15.595 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.599 -16.389 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.623 -14.356 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.195 -13.582 -9.790 1.00 0.00 H new ATOM 1314 N THR B 24 6.499 -15.532 -6.666 1.00 0.00 N ATOM 1315 CA THR B 24 5.060 -15.426 -6.491 1.00 0.00 C ATOM 1316 C THR B 24 4.702 -14.094 -5.838 1.00 0.00 C ATOM 1317 O THR B 24 3.704 -13.469 -6.194 1.00 0.00 O ATOM 1318 CB THR B 24 4.508 -16.580 -5.638 1.00 0.00 C ATOM 1319 OG1 THR B 24 3.110 -16.386 -5.388 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.258 -16.679 -4.320 1.00 0.00 C ATOM 0 H THR B 24 6.904 -16.391 -6.294 1.00 0.00 H new ATOM 0 HA THR B 24 4.605 -15.483 -7.480 1.00 0.00 H new ATOM 0 HB THR B 24 4.647 -17.510 -6.190 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.734 -17.197 -4.986 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.852 -17.502 -3.731 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.315 -16.860 -4.516 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.146 -15.747 -3.767 1.00 0.00 H new ATOM 1328 N LEU B 25 5.533 -13.654 -4.892 1.00 0.00 N ATOM 1329 CA LEU B 25 5.300 -12.384 -4.228 1.00 0.00 C ATOM 1330 C LEU B 25 5.494 -11.238 -5.208 1.00 0.00 C ATOM 1331 O LEU B 25 4.675 -10.332 -5.279 1.00 0.00 O ATOM 1332 CB LEU B 25 6.175 -12.197 -2.976 1.00 0.00 C ATOM 1333 CG LEU B 25 7.629 -12.691 -3.032 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.448 -11.936 -4.062 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.265 -12.549 -1.661 1.00 0.00 C ATOM 0 H LEU B 25 6.362 -14.156 -4.576 1.00 0.00 H new ATOM 0 HA LEU B 25 4.267 -12.385 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.193 -11.134 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.682 -12.703 -2.146 1.00 0.00 H new ATOM 0 HG LEU B 25 7.615 -13.739 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.469 -12.319 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.005 -12.071 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.459 -10.875 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.296 -12.899 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.249 -11.502 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.707 -13.144 -0.938 1.00 0.00 H new ATOM 1347 N GLU B 26 6.550 -11.288 -6.002 1.00 0.00 N ATOM 1348 CA GLU B 26 6.761 -10.243 -6.983 1.00 0.00 C ATOM 1349 C GLU B 26 5.551 -10.204 -7.899 1.00 0.00 C ATOM 1350 O GLU B 26 5.259 -9.192 -8.532 1.00 0.00 O ATOM 1351 CB GLU B 26 8.051 -10.468 -7.774 1.00 0.00 C ATOM 1352 CG GLU B 26 8.181 -9.555 -8.987 1.00 0.00 C ATOM 1353 CD GLU B 26 9.487 -9.741 -9.733 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.552 -9.449 -9.149 1.00 0.00 O ATOM 1355 OE2 GLU B 26 9.446 -10.180 -10.901 1.00 0.00 O ATOM 0 H GLU B 26 7.258 -12.022 -5.988 1.00 0.00 H new ATOM 0 HA GLU B 26 6.874 -9.284 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.905 -10.310 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.091 -11.506 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.351 -9.744 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.098 -8.517 -8.664 1.00 0.00 H new ATOM 1362 N GLU B 27 4.831 -11.321 -7.937 1.00 0.00 N ATOM 1363 CA GLU B 27 3.628 -11.420 -8.747 1.00 0.00 C ATOM 1364 C GLU B 27 2.429 -10.830 -8.008 1.00 0.00 C ATOM 1365 O GLU B 27 1.755 -9.938 -8.514 1.00 0.00 O ATOM 1366 CB GLU B 27 3.352 -12.882 -9.108 1.00 0.00 C ATOM 1367 CG GLU B 27 2.030 -13.098 -9.829 1.00 0.00 C ATOM 1368 CD GLU B 27 1.980 -12.425 -11.189 1.00 0.00 C ATOM 1369 OE1 GLU B 27 2.994 -11.819 -11.593 1.00 0.00 O ATOM 1370 OE2 GLU B 27 0.924 -12.507 -11.852 1.00 0.00 O ATOM 0 H GLU B 27 5.061 -12.167 -7.416 1.00 0.00 H new ATOM 0 HA GLU B 27 3.785 -10.851 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.162 -13.250 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.360 -13.479 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.860 -14.168 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.218 -12.716 -9.210 1.00 0.00 H new ATOM 1377 N MET B 28 2.166 -11.347 -6.810 1.00 0.00 N ATOM 1378 CA MET B 28 1.042 -10.887 -5.996 1.00 0.00 C ATOM 1379 C MET B 28 1.434 -9.746 -5.052 1.00 0.00 C ATOM 1380 O MET B 28 0.715 -8.755 -4.922 1.00 0.00 O ATOM 1381 CB MET B 28 0.476 -12.050 -5.180 1.00 0.00 C ATOM 1382 CG MET B 28 0.068 -13.247 -6.023 1.00 0.00 C ATOM 1383 SD MET B 28 -1.189 -12.841 -7.251 1.00 0.00 S ATOM 1384 CE MET B 28 -1.444 -14.444 -8.006 1.00 0.00 C ATOM 0 H MET B 28 2.719 -12.088 -6.379 1.00 0.00 H new ATOM 0 HA MET B 28 0.285 -10.505 -6.681 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.222 -12.368 -4.451 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.390 -11.700 -4.618 1.00 0.00 H new ATOM 0 HG2 MET B 28 0.947 -13.646 -6.528 1.00 0.00 H new ATOM 0 HG3 MET B 28 -0.309 -14.034 -5.370 1.00 0.00 H new ATOM 0 HE1 MET B 28 -2.197 -14.361 -8.790 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.507 -14.796 -8.438 1.00 0.00 H new ATOM 0 HE3 MET B 28 -1.783 -15.152 -7.250 1.00 0.00 H new ATOM 1394 N LEU B 29 2.567 -9.918 -4.381 1.00 0.00 N ATOM 1395 CA LEU B 29 3.068 -8.932 -3.416 1.00 0.00 C ATOM 1396 C LEU B 29 3.381 -7.587 -4.080 1.00 0.00 C ATOM 1397 O LEU B 29 3.078 -6.531 -3.525 1.00 0.00 O ATOM 1398 CB LEU B 29 4.299 -9.509 -2.692 1.00 0.00 C ATOM 1399 CG LEU B 29 5.073 -8.541 -1.796 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.231 -8.130 -0.610 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.367 -9.182 -1.313 1.00 0.00 C ATOM 0 H LEU B 29 3.165 -10.738 -4.486 1.00 0.00 H new ATOM 0 HA LEU B 29 2.286 -8.733 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.974 -10.353 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.984 -9.903 -3.443 1.00 0.00 H new ATOM 0 HG LEU B 29 5.315 -7.654 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.797 -7.441 0.017 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.323 -7.639 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.964 -9.013 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.906 -8.480 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.137 -10.083 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU B 29 6.986 -9.443 -2.171 1.00 0.00 H new ATOM 1413 N GLU B 30 3.971 -7.624 -5.273 1.00 0.00 N ATOM 1414 CA GLU B 30 4.299 -6.394 -5.997 1.00 0.00 C ATOM 1415 C GLU B 30 3.040 -5.602 -6.331 1.00 0.00 C ATOM 1416 O GLU B 30 3.056 -4.369 -6.371 1.00 0.00 O ATOM 1417 CB GLU B 30 5.057 -6.713 -7.287 1.00 0.00 C ATOM 1418 CG GLU B 30 5.312 -5.494 -8.161 1.00 0.00 C ATOM 1419 CD GLU B 30 6.060 -5.836 -9.435 1.00 0.00 C ATOM 1420 OE1 GLU B 30 5.543 -6.652 -10.227 1.00 0.00 O ATOM 1421 OE2 GLU B 30 7.163 -5.288 -9.640 1.00 0.00 O ATOM 0 H GLU B 30 4.231 -8.484 -5.757 1.00 0.00 H new ATOM 0 HA GLU B 30 4.933 -5.790 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.012 -7.174 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.491 -7.448 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.360 -5.029 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.884 -4.759 -7.595 1.00 0.00 H new ATOM 1428 N LYS B 31 1.948 -6.313 -6.569 1.00 0.00 N ATOM 1429 CA LYS B 31 0.683 -5.678 -6.897 1.00 0.00 C ATOM 1430 C LYS B 31 -0.039 -5.325 -5.618 1.00 0.00 C ATOM 1431 O LYS B 31 -0.857 -4.408 -5.572 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.162 -6.605 -7.756 1.00 0.00 C ATOM 1433 CG LYS B 31 0.671 -7.368 -8.763 1.00 0.00 C ATOM 1434 CD LYS B 31 1.433 -6.435 -9.691 1.00 0.00 C ATOM 1435 CE LYS B 31 2.413 -7.201 -10.565 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.728 -8.215 -11.413 1.00 0.00 N ATOM 0 H LYS B 31 1.914 -7.332 -6.541 1.00 0.00 H new ATOM 0 HA LYS B 31 0.866 -4.766 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.690 -7.311 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -0.919 -6.022 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.376 -8.013 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.024 -8.017 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.729 -5.891 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.972 -5.693 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.954 -6.501 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.152 -7.695 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.412 -8.631 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.333 -8.963 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.960 -7.760 -11.947 1.00 0.00 H new ATOM 1450 N LEU B 32 0.293 -6.069 -4.576 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.288 -5.856 -3.272 1.00 0.00 C ATOM 1452 C LEU B 32 0.183 -4.526 -2.710 1.00 0.00 C ATOM 1453 O LEU B 32 -0.502 -3.898 -1.901 1.00 0.00 O ATOM 1454 CB LEU B 32 0.083 -6.993 -2.337 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.671 -6.982 -1.010 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.168 -6.839 -1.236 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.374 -8.242 -0.224 1.00 0.00 C ATOM 0 H LEU B 32 0.969 -6.832 -4.615 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.374 -5.832 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.106 -7.940 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.153 -6.948 -2.135 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.331 -6.121 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.682 -6.834 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.369 -5.905 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.527 -7.676 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.919 -8.219 0.720 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.685 -9.113 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.696 -8.302 -0.024 1.00 0.00 H new ATOM 1469 N GLU B 33 1.357 -4.091 -3.154 1.00 0.00 N ATOM 1470 CA GLU B 33 1.898 -2.817 -2.698 1.00 0.00 C ATOM 1471 C GLU B 33 1.317 -1.684 -3.520 1.00 0.00 C ATOM 1472 O GLU B 33 1.024 -0.620 -2.988 1.00 0.00 O ATOM 1473 CB GLU B 33 3.424 -2.777 -2.770 1.00 0.00 C ATOM 1474 CG GLU B 33 3.981 -2.779 -4.186 1.00 0.00 C ATOM 1475 CD GLU B 33 5.424 -2.321 -4.248 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.991 -1.992 -3.185 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.990 -2.292 -5.362 1.00 0.00 O ATOM 0 H GLU B 33 1.945 -4.593 -3.819 1.00 0.00 H new ATOM 0 HA GLU B 33 1.615 -2.701 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.778 -1.885 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.825 -3.636 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.905 -3.784 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.371 -2.129 -4.813 1.00 0.00 H new ATOM 1484 N VAL B 34 1.151 -1.919 -4.822 1.00 0.00 N ATOM 1485 CA VAL B 34 0.590 -0.900 -5.701 1.00 0.00 C ATOM 1486 C VAL B 34 -0.899 -0.733 -5.433 1.00 0.00 C ATOM 1487 O VAL B 34 -1.424 0.385 -5.447 1.00 0.00 O ATOM 1488 CB VAL B 34 0.813 -1.213 -7.194 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.296 -1.353 -7.499 1.00 0.00 C ATOM 1490 CG2 VAL B 34 0.055 -2.463 -7.611 1.00 0.00 C ATOM 0 H VAL B 34 1.394 -2.795 -5.284 1.00 0.00 H new ATOM 0 HA VAL B 34 1.116 0.028 -5.479 1.00 0.00 H new ATOM 0 HB VAL B 34 0.423 -0.377 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.430 -1.574 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.807 -0.422 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.715 -2.164 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL B 34 0.231 -2.659 -8.669 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.401 -3.312 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.012 -2.315 -7.442 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.578 -1.852 -5.169 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.004 -1.815 -4.880 1.00 0.00 C ATOM 1502 C VAL B 35 -3.252 -0.877 -3.714 1.00 0.00 C ATOM 1503 O VAL B 35 -4.098 0.015 -3.787 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.578 -3.215 -4.553 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -2.862 -3.841 -3.371 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -5.068 -3.131 -4.272 1.00 0.00 C ATOM 0 H VAL B 35 -1.164 -2.784 -5.151 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.514 -1.458 -5.775 1.00 0.00 H new ATOM 0 HB VAL B 35 -3.418 -3.849 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -3.288 -4.823 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -1.802 -3.946 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -2.981 -3.204 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -5.452 -4.125 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.241 -2.472 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -5.582 -2.735 -5.148 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.482 -1.054 -2.648 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.608 -0.192 -1.495 1.00 0.00 C ATOM 1518 C VAL B 36 -1.889 1.117 -1.753 1.00 0.00 C ATOM 1519 O VAL B 36 -2.312 2.149 -1.280 1.00 0.00 O ATOM 1520 CB VAL B 36 -2.067 -0.828 -0.202 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.553 -0.964 -0.241 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.528 -0.023 1.004 1.00 0.00 C ATOM 0 H VAL B 36 -1.772 -1.781 -2.564 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.674 -0.022 -1.346 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.471 -1.837 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.204 -1.417 0.687 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.266 -1.595 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.102 0.022 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -2.141 -0.479 1.915 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -2.156 0.998 0.923 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.617 -0.011 1.038 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.806 1.066 -2.521 1.00 0.00 N ATOM 1533 CA ASN B 37 -0.043 2.269 -2.843 1.00 0.00 C ATOM 1534 C ASN B 37 -0.994 3.406 -3.172 1.00 0.00 C ATOM 1535 O ASN B 37 -0.820 4.536 -2.710 1.00 0.00 O ATOM 1536 CB ASN B 37 0.891 2.011 -4.026 1.00 0.00 C ATOM 1537 CG ASN B 37 1.616 3.259 -4.486 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.326 3.903 -3.712 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.441 3.605 -5.757 1.00 0.00 N ATOM 0 H ASN B 37 -0.437 0.208 -2.931 1.00 0.00 H new ATOM 0 HA ASN B 37 0.561 2.543 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.623 1.254 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.314 1.605 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN B 37 1.904 4.434 -6.128 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.843 3.041 -6.361 1.00 0.00 H new ATOM 1546 N GLU B 38 -2.021 3.083 -3.949 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.030 4.060 -4.325 1.00 0.00 C ATOM 1548 C GLU B 38 -3.796 4.510 -3.089 1.00 0.00 C ATOM 1549 O GLU B 38 -4.067 5.696 -2.911 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.996 3.467 -5.350 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.320 3.016 -6.634 1.00 0.00 C ATOM 1552 CD GLU B 38 -4.297 2.434 -7.636 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -5.506 2.379 -7.327 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -3.853 2.030 -8.732 1.00 0.00 O ATOM 0 H GLU B 38 -2.175 2.150 -4.330 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.534 4.920 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.511 2.617 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.757 4.209 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.805 3.864 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.561 2.270 -6.398 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.130 3.548 -2.232 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.854 3.847 -0.999 1.00 0.00 C ATOM 1563 C ARG B 39 -3.928 4.510 0.020 1.00 0.00 C ATOM 1564 O ARG B 39 -4.247 5.547 0.592 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.456 2.580 -0.389 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.563 1.946 -1.212 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.061 1.426 -2.542 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.143 1.271 -3.509 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.909 2.278 -3.917 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -7.731 3.494 -3.415 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -8.862 2.069 -4.812 1.00 0.00 N ATOM 0 H ARG B 39 -3.913 2.561 -2.367 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.663 4.532 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.661 1.848 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.848 2.819 0.600 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -7.009 1.126 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.351 2.679 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.313 2.111 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.567 0.466 -2.393 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.321 0.342 -3.891 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.006 3.656 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.319 4.266 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.010 1.133 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.448 2.844 -5.123 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.776 3.902 0.232 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.791 4.417 1.168 1.00 0.00 C ATOM 1587 C ARG B 40 -1.610 5.926 0.993 1.00 0.00 C ATOM 1588 O ARG B 40 -1.498 6.662 1.972 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.451 3.683 0.980 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.247 2.484 1.898 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.451 2.854 3.359 1.00 0.00 C ATOM 1592 NE ARG B 40 0.411 3.957 3.773 1.00 0.00 N ATOM 1593 CZ ARG B 40 0.408 4.475 4.999 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.409 3.992 5.925 1.00 0.00 N ATOM 1595 NH2 ARG B 40 1.221 5.479 5.298 1.00 0.00 N ATOM 0 H ARG B 40 -2.496 3.041 -0.237 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.149 4.238 2.182 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.378 3.348 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.361 4.391 1.144 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.943 1.692 1.622 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.759 2.087 1.760 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.493 3.129 3.520 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.251 1.984 3.984 1.00 0.00 H new ATOM 0 HE ARG B 40 1.051 4.353 3.084 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -1.038 3.221 5.699 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -0.409 4.391 6.864 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.849 5.855 4.588 1.00 0.00 H new ATOM 0 HH22 ARG B 40 1.218 5.875 6.238 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.578 6.380 -0.260 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.404 7.802 -0.555 1.00 0.00 C ATOM 1611 C GLU B 41 -2.729 8.578 -0.602 1.00 0.00 C ATOM 1612 O GLU B 41 -2.829 9.673 -0.047 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.654 7.982 -1.877 1.00 0.00 C ATOM 1614 CG GLU B 41 -1.394 7.428 -3.084 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.620 7.611 -4.374 1.00 0.00 C ATOM 1616 OE1 GLU B 41 -0.330 8.772 -4.732 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -0.304 6.593 -5.027 1.00 0.00 O ATOM 0 H GLU B 41 -1.670 5.786 -1.084 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.821 8.217 0.267 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.465 9.044 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.317 7.493 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.591 6.367 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.361 7.922 -3.171 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.728 8.030 -1.295 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.022 8.705 -1.444 1.00 0.00 C ATOM 1626 C GLU B 42 -5.978 8.395 -0.301 1.00 0.00 C ATOM 1627 O GLU B 42 -6.654 9.286 0.214 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.666 8.315 -2.775 1.00 0.00 C ATOM 1629 CG GLU B 42 -4.835 8.694 -3.989 1.00 0.00 C ATOM 1630 CD GLU B 42 -5.502 8.314 -5.296 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -5.760 7.109 -5.502 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -5.769 9.220 -6.112 1.00 0.00 O ATOM 0 H GLU B 42 -3.669 7.125 -1.761 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.827 9.777 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.837 7.239 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.642 8.793 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -4.652 9.769 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -3.863 8.205 -3.926 1.00 0.00 H new ATOM 1639 N GLU B 43 -6.046 7.133 0.084 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.933 6.715 1.159 1.00 0.00 C ATOM 1641 C GLU B 43 -6.593 7.441 2.453 1.00 0.00 C ATOM 1642 O GLU B 43 -7.481 7.963 3.130 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.875 5.206 1.351 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.718 4.698 2.508 1.00 0.00 C ATOM 1645 CD GLU B 43 -9.147 5.217 2.503 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -9.528 5.927 1.548 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.890 4.903 3.455 1.00 0.00 O ATOM 0 H GLU B 43 -5.498 6.379 -0.331 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.953 6.981 0.881 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.206 4.720 0.433 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.838 4.910 1.513 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.737 3.609 2.480 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.241 4.984 3.445 1.00 0.00 H new ATOM 1654 N SER B 44 -5.305 7.506 2.777 1.00 0.00 N ATOM 1655 CA SER B 44 -4.872 8.217 3.971 1.00 0.00 C ATOM 1656 C SER B 44 -5.345 9.655 3.865 1.00 0.00 C ATOM 1657 O SER B 44 -5.738 10.281 4.853 1.00 0.00 O ATOM 1658 CB SER B 44 -3.349 8.162 4.113 1.00 0.00 C ATOM 1659 OG SER B 44 -2.895 6.828 4.243 1.00 0.00 O ATOM 0 H SER B 44 -4.553 7.080 2.236 1.00 0.00 H new ATOM 0 HA SER B 44 -5.300 7.747 4.856 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.883 8.624 3.243 1.00 0.00 H new ATOM 0 HB3 SER B 44 -3.041 8.740 4.984 1.00 0.00 H new ATOM 0 HG SER B 44 -2.415 6.565 3.430 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.327 10.156 2.634 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.775 11.504 2.334 1.00 0.00 C ATOM 1667 C ALA B 45 -7.264 11.636 2.629 1.00 0.00 C ATOM 1668 O ALA B 45 -7.712 12.635 3.190 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.485 11.828 0.878 1.00 0.00 C ATOM 0 H ALA B 45 -5.001 9.636 1.819 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.236 12.213 2.963 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -5.823 12.840 0.656 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.413 11.755 0.696 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.011 11.121 0.236 1.00 0.00 H new ATOM 1675 N ALA B 46 -8.022 10.604 2.254 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.458 10.583 2.485 1.00 0.00 C ATOM 1677 C ALA B 46 -9.756 10.618 3.978 1.00 0.00 C ATOM 1678 O ALA B 46 -10.660 11.322 4.429 1.00 0.00 O ATOM 1679 CB ALA B 46 -10.077 9.345 1.851 1.00 0.00 C ATOM 0 H ALA B 46 -7.659 9.772 1.788 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.897 11.467 2.023 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.152 9.342 2.032 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.890 9.354 0.777 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.633 8.451 2.289 1.00 0.00 H new