USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= 0.104 K(o=0.1,f=-1.1!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0829 (180deg=-0.413) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.11 F(o=-1.9,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ -103:sc= -0.57 (180deg=-2.64!) USER MOD Single : A 43 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : C 1 MET CE :methyl 175:sc= 0 (180deg=-0.0148) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -159:sc= -0.129 (180deg=-0.586) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.31) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0395 K(o=-0.039,f=-2.1) USER MOD Single : C 38 LYS NZ :NH3+ 140:sc= -0.517 (180deg=-2.19!) USER MOD Single : C 43 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3) USER MOD Single : C 48 TYR OH : rot 11:sc= 0.704 USER MOD Single : C 49 GLN : amide:sc= 0.387 K(o=0.39,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.836 2.967 -1.839 1.00 0.00 N ATOM 2 CA MET A 1 -11.910 2.418 -0.831 1.00 0.00 C ATOM 3 C MET A 1 -11.944 0.900 -0.834 1.00 0.00 C ATOM 4 O MET A 1 -13.005 0.310 -0.670 1.00 0.00 O ATOM 5 CB MET A 1 -12.266 2.907 0.573 1.00 0.00 C ATOM 6 CG MET A 1 -11.412 2.217 1.642 1.00 0.00 C ATOM 7 SD MET A 1 -9.664 2.675 1.632 1.00 0.00 S ATOM 8 CE MET A 1 -9.812 4.196 2.596 1.00 0.00 C ATOM 0 H1 MET A 1 -12.795 4.006 -1.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.562 2.629 -2.783 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.805 2.654 -1.627 1.00 0.00 H new ATOM 0 HA MET A 1 -10.911 2.766 -1.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.122 3.986 0.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.321 2.716 0.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.827 2.448 2.623 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.491 1.138 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.828 4.651 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.474 4.891 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.223 3.965 3.579 1.00 0.00 H new ATOM 20 N LEU A 2 -10.786 0.269 -1.021 1.00 0.00 N ATOM 21 CA LEU A 2 -10.660 -1.176 -0.961 1.00 0.00 C ATOM 22 C LEU A 2 -9.553 -1.480 0.045 1.00 0.00 C ATOM 23 O LEU A 2 -8.380 -1.204 -0.215 1.00 0.00 O ATOM 24 CB LEU A 2 -10.366 -1.697 -2.370 1.00 0.00 C ATOM 25 CG LEU A 2 -10.423 -3.223 -2.542 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.009 -3.776 -2.591 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.175 -3.962 -1.434 1.00 0.00 C ATOM 0 H LEU A 2 -9.910 0.752 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.570 -1.676 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.078 -1.245 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.374 -1.353 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.972 -3.391 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.046 -4.859 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.474 -3.334 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.491 -3.533 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.164 -5.033 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.692 -3.771 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.206 -3.610 -1.397 1.00 0.00 H new ATOM 39 N ILE A 3 -9.932 -2.043 1.195 1.00 0.00 N ATOM 40 CA ILE A 3 -8.999 -2.386 2.258 1.00 0.00 C ATOM 41 C ILE A 3 -8.424 -3.767 1.998 1.00 0.00 C ATOM 42 O ILE A 3 -9.121 -4.652 1.497 1.00 0.00 O ATOM 43 CB ILE A 3 -9.686 -2.380 3.637 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.128 -0.979 4.070 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.670 -2.866 4.673 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.532 -0.651 3.592 1.00 0.00 C ATOM 0 H ILE A 3 -10.902 -2.273 1.411 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.207 -1.637 2.265 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.568 -3.017 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.089 -0.907 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.429 -0.241 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.131 -2.871 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.345 -3.875 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.809 -2.198 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.804 0.352 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.566 -0.697 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.236 -1.373 4.007 1.00 0.00 H new ATOM 58 N LEU A 4 -7.148 -3.944 2.350 1.00 0.00 N ATOM 59 CA LEU A 4 -6.461 -5.218 2.295 1.00 0.00 C ATOM 60 C LEU A 4 -5.536 -5.311 3.503 1.00 0.00 C ATOM 61 O LEU A 4 -4.829 -4.354 3.816 1.00 0.00 O ATOM 62 CB LEU A 4 -5.641 -5.313 1.004 1.00 0.00 C ATOM 63 CG LEU A 4 -6.512 -5.307 -0.259 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.608 -5.246 -1.489 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.380 -6.562 -0.346 1.00 0.00 C ATOM 0 H LEU A 4 -6.559 -3.183 2.687 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.182 -6.035 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.942 -4.478 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.046 -6.226 1.024 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.167 -4.437 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.220 -5.241 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.007 -4.337 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.951 -6.116 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.984 -6.525 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.741 -7.445 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.035 -6.613 0.524 1.00 0.00 H new ATOM 77 N THR A 5 -5.535 -6.461 4.185 1.00 0.00 N ATOM 78 CA THR A 5 -4.593 -6.699 5.268 1.00 0.00 C ATOM 79 C THR A 5 -3.375 -7.400 4.696 1.00 0.00 C ATOM 80 O THR A 5 -3.502 -8.235 3.798 1.00 0.00 O ATOM 81 CB THR A 5 -5.209 -7.561 6.374 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.754 -8.749 5.845 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.317 -6.793 7.080 1.00 0.00 C ATOM 0 H THR A 5 -6.175 -7.234 4.003 1.00 0.00 H new ATOM 0 HA THR A 5 -4.319 -5.742 5.712 1.00 0.00 H new ATOM 0 HB THR A 5 -4.416 -7.811 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.140 -9.283 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.748 -7.415 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.906 -5.885 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.092 -6.528 6.360 1.00 0.00 H new ATOM 91 N ARG A 6 -2.191 -7.063 5.204 1.00 0.00 N ATOM 92 CA ARG A 6 -0.960 -7.652 4.703 1.00 0.00 C ATOM 93 C ARG A 6 0.068 -7.738 5.826 1.00 0.00 C ATOM 94 O ARG A 6 0.244 -6.773 6.567 1.00 0.00 O ATOM 95 CB ARG A 6 -0.475 -6.747 3.564 1.00 0.00 C ATOM 96 CG ARG A 6 0.519 -7.414 2.611 1.00 0.00 C ATOM 97 CD ARG A 6 -0.137 -8.460 1.703 1.00 0.00 C ATOM 98 NE ARG A 6 -0.347 -9.743 2.382 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.192 -10.694 1.975 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.920 -10.546 0.872 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.308 -11.811 2.684 1.00 0.00 N ATOM 0 H ARG A 6 -2.063 -6.388 5.958 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.115 -8.667 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.339 -6.409 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.010 -5.860 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.992 -6.650 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.309 -7.889 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.095 -8.079 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.488 -8.616 0.824 1.00 0.00 H new ATOM 0 HE ARG A 6 0.193 -9.923 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.839 -9.693 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.559 -11.285 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.754 -11.937 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.951 -12.543 2.381 1.00 0.00 H new ATOM 115 N LYS A 7 0.746 -8.883 5.965 1.00 0.00 N ATOM 116 CA LYS A 7 1.806 -9.039 6.952 1.00 0.00 C ATOM 117 C LYS A 7 3.095 -8.478 6.348 1.00 0.00 C ATOM 118 O LYS A 7 3.255 -8.496 5.125 1.00 0.00 O ATOM 119 CB LYS A 7 1.975 -10.527 7.285 1.00 0.00 C ATOM 120 CG LYS A 7 2.248 -10.832 8.760 1.00 0.00 C ATOM 121 CD LYS A 7 1.033 -10.551 9.650 1.00 0.00 C ATOM 122 CE LYS A 7 1.241 -11.062 11.078 1.00 0.00 C ATOM 123 NZ LYS A 7 1.436 -12.522 11.115 1.00 0.00 N ATOM 0 H LYS A 7 0.574 -9.715 5.401 1.00 0.00 H new ATOM 0 HA LYS A 7 1.564 -8.506 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.072 -11.057 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.795 -10.927 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.537 -11.878 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.092 -10.232 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.840 -9.478 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.151 -11.025 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.108 -10.569 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.378 -10.795 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.270 -12.870 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.767 -12.978 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.409 -12.750 10.828 1.00 0.00 H new ATOM 137 N VAL A 8 4.017 -7.981 7.177 1.00 0.00 N ATOM 138 CA VAL A 8 5.270 -7.455 6.650 1.00 0.00 C ATOM 139 C VAL A 8 5.985 -8.536 5.837 1.00 0.00 C ATOM 140 O VAL A 8 6.089 -9.683 6.276 1.00 0.00 O ATOM 141 CB VAL A 8 6.159 -6.899 7.766 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.416 -5.806 8.541 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.604 -7.972 8.760 1.00 0.00 C ATOM 0 H VAL A 8 3.920 -7.934 8.191 1.00 0.00 H new ATOM 0 HA VAL A 8 5.047 -6.619 5.987 1.00 0.00 H new ATOM 0 HB VAL A 8 7.046 -6.496 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.059 -5.419 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.149 -4.996 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.511 -6.224 8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.231 -7.519 9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.728 -8.422 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.171 -8.741 8.236 1.00 0.00 H new ATOM 153 N GLY A 9 6.477 -8.168 4.650 1.00 0.00 N ATOM 154 CA GLY A 9 7.193 -9.084 3.778 1.00 0.00 C ATOM 155 C GLY A 9 6.334 -9.605 2.626 1.00 0.00 C ATOM 156 O GLY A 9 6.830 -10.377 1.807 1.00 0.00 O ATOM 0 H GLY A 9 6.386 -7.225 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.070 -8.580 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.555 -9.928 4.365 1.00 0.00 H new ATOM 160 N GLU A 10 5.062 -9.197 2.543 1.00 0.00 N ATOM 161 CA GLU A 10 4.170 -9.640 1.474 1.00 0.00 C ATOM 162 C GLU A 10 3.881 -8.486 0.502 1.00 0.00 C ATOM 163 O GLU A 10 4.438 -7.399 0.655 1.00 0.00 O ATOM 164 CB GLU A 10 2.892 -10.221 2.079 1.00 0.00 C ATOM 165 CG GLU A 10 3.197 -11.393 3.014 1.00 0.00 C ATOM 166 CD GLU A 10 1.911 -11.980 3.601 1.00 0.00 C ATOM 167 OE1 GLU A 10 1.119 -11.195 4.171 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.731 -13.212 3.476 1.00 0.00 O ATOM 0 H GLU A 10 4.629 -8.557 3.209 1.00 0.00 H new ATOM 0 HA GLU A 10 4.653 -10.428 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.363 -9.443 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.229 -10.554 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.737 -12.166 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.849 -11.058 3.821 1.00 0.00 H new ATOM 175 N SER A 11 3.011 -8.705 -0.492 1.00 0.00 N ATOM 176 CA SER A 11 2.809 -7.734 -1.564 1.00 0.00 C ATOM 177 C SER A 11 1.350 -7.593 -1.997 1.00 0.00 C ATOM 178 O SER A 11 0.485 -8.377 -1.606 1.00 0.00 O ATOM 179 CB SER A 11 3.656 -8.145 -2.770 1.00 0.00 C ATOM 180 OG SER A 11 5.016 -8.252 -2.408 1.00 0.00 O ATOM 0 H SER A 11 2.439 -9.546 -0.572 1.00 0.00 H new ATOM 0 HA SER A 11 3.112 -6.762 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.302 -9.099 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.543 -7.411 -3.568 1.00 0.00 H new ATOM 0 HG SER A 11 5.543 -8.517 -3.191 1.00 0.00 H new ATOM 186 N ILE A 12 1.094 -6.565 -2.817 1.00 0.00 N ATOM 187 CA ILE A 12 -0.215 -6.167 -3.326 1.00 0.00 C ATOM 188 C ILE A 12 -0.020 -5.667 -4.767 1.00 0.00 C ATOM 189 O ILE A 12 1.110 -5.416 -5.174 1.00 0.00 O ATOM 190 CB ILE A 12 -0.804 -5.090 -2.391 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.041 -5.688 -0.995 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.114 -4.499 -2.916 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.633 -4.680 -0.013 1.00 0.00 C ATOM 0 H ILE A 12 1.839 -5.958 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.923 -6.995 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.077 -4.279 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.712 -6.543 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.097 -6.062 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.480 -3.748 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.941 -4.037 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.855 -5.291 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.779 -5.158 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.952 -3.836 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.592 -4.325 -0.390 1.00 0.00 H new ATOM 205 N ASN A 13 -1.092 -5.517 -5.552 1.00 0.00 N ATOM 206 CA ASN A 13 -0.995 -5.152 -6.962 1.00 0.00 C ATOM 207 C ASN A 13 -1.968 -4.035 -7.336 1.00 0.00 C ATOM 208 O ASN A 13 -3.010 -3.876 -6.699 1.00 0.00 O ATOM 209 CB ASN A 13 -1.306 -6.381 -7.812 1.00 0.00 C ATOM 210 CG ASN A 13 -0.824 -6.185 -9.244 1.00 0.00 C ATOM 211 OD1 ASN A 13 -1.610 -5.866 -10.132 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.469 -6.375 -9.469 1.00 0.00 N ATOM 0 H ASN A 13 -2.049 -5.646 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 13 0.017 -4.790 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.826 -7.259 -7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.380 -6.570 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.846 -6.257 -10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.087 -6.639 -8.702 1.00 0.00 H new ATOM 219 N ILE A 14 -1.627 -3.259 -8.371 1.00 0.00 N ATOM 220 CA ILE A 14 -2.466 -2.183 -8.885 1.00 0.00 C ATOM 221 C ILE A 14 -2.310 -2.112 -10.403 1.00 0.00 C ATOM 222 O ILE A 14 -1.207 -2.272 -10.931 1.00 0.00 O ATOM 223 CB ILE A 14 -2.076 -0.839 -8.252 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.165 -0.907 -6.720 1.00 0.00 C ATOM 225 CG2 ILE A 14 -2.993 0.270 -8.780 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.781 0.417 -6.055 1.00 0.00 C ATOM 0 H ILE A 14 -0.748 -3.366 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.506 -2.388 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.044 -0.617 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.181 -1.176 -6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.509 -1.698 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.712 1.221 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.893 0.340 -9.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.027 0.039 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.860 0.317 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.756 0.674 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.453 1.204 -6.397 1.00 0.00 H new ATOM 238 N GLY A 15 -3.417 -1.870 -11.110 1.00 0.00 N ATOM 239 CA GLY A 15 -3.409 -1.808 -12.561 1.00 0.00 C ATOM 240 C GLY A 15 -2.849 -3.102 -13.146 1.00 0.00 C ATOM 241 O GLY A 15 -3.127 -4.191 -12.653 1.00 0.00 O ATOM 0 H GLY A 15 -4.333 -1.714 -10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.421 -1.643 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.807 -0.962 -12.892 1.00 0.00 H new ATOM 245 N ASP A 16 -2.054 -2.966 -14.205 1.00 0.00 N ATOM 246 CA ASP A 16 -1.369 -4.087 -14.834 1.00 0.00 C ATOM 247 C ASP A 16 0.113 -3.752 -15.022 1.00 0.00 C ATOM 248 O ASP A 16 0.836 -4.471 -15.710 1.00 0.00 O ATOM 249 CB ASP A 16 -2.067 -4.436 -16.155 1.00 0.00 C ATOM 250 CG ASP A 16 -1.547 -5.744 -16.747 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.564 -6.757 -16.016 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.137 -5.720 -17.932 1.00 0.00 O ATOM 0 H ASP A 16 -1.867 -2.068 -14.652 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.419 -4.968 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.141 -4.515 -15.988 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.914 -3.628 -16.870 1.00 0.00 H new ATOM 257 N ASP A 17 0.559 -2.651 -14.407 1.00 0.00 N ATOM 258 CA ASP A 17 1.924 -2.164 -14.527 1.00 0.00 C ATOM 259 C ASP A 17 2.458 -1.641 -13.188 1.00 0.00 C ATOM 260 O ASP A 17 3.529 -1.037 -13.161 1.00 0.00 O ATOM 261 CB ASP A 17 1.987 -1.053 -15.577 1.00 0.00 C ATOM 262 CG ASP A 17 1.553 -1.543 -16.956 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.398 -2.153 -17.650 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.375 -1.303 -17.308 1.00 0.00 O ATOM 0 H ASP A 17 -0.029 -2.072 -13.807 1.00 0.00 H new ATOM 0 HA ASP A 17 2.551 -3.001 -14.835 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.347 -0.226 -15.268 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.004 -0.665 -15.634 1.00 0.00 H new ATOM 269 N ILE A 18 1.735 -1.854 -12.076 1.00 0.00 N ATOM 270 CA ILE A 18 2.188 -1.390 -10.768 1.00 0.00 C ATOM 271 C ILE A 18 2.068 -2.516 -9.745 1.00 0.00 C ATOM 272 O ILE A 18 1.178 -3.359 -9.833 1.00 0.00 O ATOM 273 CB ILE A 18 1.377 -0.164 -10.313 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.432 0.994 -11.318 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.916 0.340 -8.973 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.278 0.920 -12.316 1.00 0.00 C ATOM 0 H ILE A 18 0.840 -2.343 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 18 3.234 -1.094 -10.848 1.00 0.00 H new ATOM 0 HB ILE A 18 0.340 -0.490 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.393 1.943 -10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.381 0.968 -11.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.340 1.208 -8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.829 -0.449 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.963 0.620 -9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.346 1.755 -13.014 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.333 -0.019 -12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.670 0.972 -11.781 1.00 0.00 H new ATOM 288 N THR A 19 2.977 -2.522 -8.767 1.00 0.00 N ATOM 289 CA THR A 19 2.977 -3.484 -7.678 1.00 0.00 C ATOM 290 C THR A 19 3.361 -2.754 -6.399 1.00 0.00 C ATOM 291 O THR A 19 4.014 -1.712 -6.454 1.00 0.00 O ATOM 292 CB THR A 19 3.957 -4.620 -7.996 1.00 0.00 C ATOM 293 OG1 THR A 19 3.703 -5.138 -9.284 1.00 0.00 O ATOM 294 CG2 THR A 19 3.829 -5.770 -6.999 1.00 0.00 C ATOM 0 H THR A 19 3.741 -1.848 -8.714 1.00 0.00 H new ATOM 0 HA THR A 19 1.990 -3.928 -7.549 1.00 0.00 H new ATOM 0 HB THR A 19 4.960 -4.198 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.336 -5.861 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.539 -6.556 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.041 -5.405 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.816 -6.171 -7.034 1.00 0.00 H new ATOM 302 N ILE A 20 2.962 -3.298 -5.251 1.00 0.00 N ATOM 303 CA ILE A 20 3.146 -2.669 -3.954 1.00 0.00 C ATOM 304 C ILE A 20 3.690 -3.714 -2.987 1.00 0.00 C ATOM 305 O ILE A 20 3.388 -4.897 -3.121 1.00 0.00 O ATOM 306 CB ILE A 20 1.797 -2.129 -3.448 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.144 -1.152 -4.438 1.00 0.00 C ATOM 308 CG2 ILE A 20 1.953 -1.463 -2.077 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.915 0.161 -4.582 1.00 0.00 C ATOM 0 H ILE A 20 2.495 -4.203 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 20 3.846 -1.837 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 20 1.135 -2.990 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.068 -1.630 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.128 -0.935 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.985 -1.090 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.329 -2.192 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.655 -0.633 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.403 0.807 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.969 0.659 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.923 -0.047 -4.940 1.00 0.00 H new ATOM 321 N THR A 21 4.491 -3.279 -2.014 1.00 0.00 N ATOM 322 CA THR A 21 5.092 -4.172 -1.033 1.00 0.00 C ATOM 323 C THR A 21 5.070 -3.515 0.343 1.00 0.00 C ATOM 324 O THR A 21 5.122 -2.292 0.447 1.00 0.00 O ATOM 325 CB THR A 21 6.535 -4.487 -1.454 1.00 0.00 C ATOM 326 OG1 THR A 21 6.565 -4.895 -2.805 1.00 0.00 O ATOM 327 CG2 THR A 21 7.140 -5.608 -0.609 1.00 0.00 C ATOM 0 H THR A 21 4.739 -2.298 -1.887 1.00 0.00 H new ATOM 0 HA THR A 21 4.524 -5.101 -0.983 1.00 0.00 H new ATOM 0 HB THR A 21 7.117 -3.577 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.489 -5.093 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.161 -5.801 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.147 -5.310 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.544 -6.513 -0.725 1.00 0.00 H new ATOM 335 N ILE A 22 4.994 -4.328 1.397 1.00 0.00 N ATOM 336 CA ILE A 22 4.999 -3.852 2.772 1.00 0.00 C ATOM 337 C ILE A 22 6.311 -4.292 3.415 1.00 0.00 C ATOM 338 O ILE A 22 6.416 -5.375 3.989 1.00 0.00 O ATOM 339 CB ILE A 22 3.732 -4.311 3.513 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.792 -4.026 5.017 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.459 -5.805 3.326 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.045 -2.548 5.302 1.00 0.00 C ATOM 0 H ILE A 22 4.927 -5.342 1.315 1.00 0.00 H new ATOM 0 HA ILE A 22 4.960 -2.764 2.822 1.00 0.00 H new ATOM 0 HB ILE A 22 2.924 -3.731 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.855 -4.331 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.583 -4.624 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.554 -6.080 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.326 -6.021 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.301 -6.380 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.081 -2.386 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.995 -2.249 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.240 -1.952 4.872 1.00 0.00 H new ATOM 354 N LEU A 23 7.324 -3.428 3.309 1.00 0.00 N ATOM 355 CA LEU A 23 8.678 -3.751 3.727 1.00 0.00 C ATOM 356 C LEU A 23 8.766 -3.935 5.238 1.00 0.00 C ATOM 357 O LEU A 23 9.585 -4.722 5.708 1.00 0.00 O ATOM 358 CB LEU A 23 9.633 -2.639 3.276 1.00 0.00 C ATOM 359 CG LEU A 23 9.467 -2.294 1.791 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.448 -1.192 1.410 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.741 -3.496 0.898 1.00 0.00 C ATOM 0 H LEU A 23 7.222 -2.487 2.930 1.00 0.00 H new ATOM 0 HA LEU A 23 8.964 -4.693 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.456 -1.746 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.661 -2.949 3.462 1.00 0.00 H new ATOM 0 HG LEU A 23 8.436 -1.972 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.329 -0.948 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.251 -0.305 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.467 -1.534 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.613 -3.210 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.762 -3.842 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.044 -4.298 1.143 1.00 0.00 H new ATOM 373 N GLY A 24 7.933 -3.223 6.002 1.00 0.00 N ATOM 374 CA GLY A 24 7.878 -3.433 7.441 1.00 0.00 C ATOM 375 C GLY A 24 7.296 -2.244 8.193 1.00 0.00 C ATOM 376 O GLY A 24 6.788 -1.305 7.585 1.00 0.00 O ATOM 0 H GLY A 24 7.298 -2.507 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.277 -4.318 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.883 -3.634 7.812 1.00 0.00 H new ATOM 380 N VAL A 25 7.372 -2.295 9.527 1.00 0.00 N ATOM 381 CA VAL A 25 6.910 -1.209 10.378 1.00 0.00 C ATOM 382 C VAL A 25 7.977 -0.880 11.420 1.00 0.00 C ATOM 383 O VAL A 25 8.858 -1.695 11.703 1.00 0.00 O ATOM 384 CB VAL A 25 5.567 -1.545 11.056 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.580 -2.133 10.041 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.735 -2.536 12.209 1.00 0.00 C ATOM 0 H VAL A 25 7.755 -3.090 10.039 1.00 0.00 H new ATOM 0 HA VAL A 25 6.741 -0.334 9.750 1.00 0.00 H new ATOM 0 HB VAL A 25 5.179 -0.609 11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.639 -2.363 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.402 -1.409 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.997 -3.045 9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.763 -2.743 12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.165 -3.464 11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.397 -2.109 12.962 1.00 0.00 H new ATOM 396 N SER A 26 7.884 0.315 11.989 1.00 0.00 N ATOM 397 CA SER A 26 8.797 0.809 13.006 1.00 0.00 C ATOM 398 C SER A 26 7.994 1.692 13.951 1.00 0.00 C ATOM 399 O SER A 26 8.000 2.918 13.831 1.00 0.00 O ATOM 400 CB SER A 26 9.947 1.593 12.367 1.00 0.00 C ATOM 401 OG SER A 26 10.681 0.760 11.497 1.00 0.00 O ATOM 0 H SER A 26 7.152 0.983 11.748 1.00 0.00 H new ATOM 0 HA SER A 26 9.244 -0.021 13.554 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.553 2.448 11.817 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.603 1.988 13.143 1.00 0.00 H new ATOM 0 HG SER A 26 11.412 1.272 11.093 1.00 0.00 H new ATOM 407 N GLY A 27 7.290 1.066 14.891 1.00 0.00 N ATOM 408 CA GLY A 27 6.341 1.779 15.723 1.00 0.00 C ATOM 409 C GLY A 27 5.115 2.091 14.876 1.00 0.00 C ATOM 410 O GLY A 27 4.453 1.181 14.379 1.00 0.00 O ATOM 0 H GLY A 27 7.363 0.068 15.091 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.064 1.176 16.587 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.784 2.699 16.105 1.00 0.00 H new ATOM 414 N GLN A 28 4.815 3.381 14.705 1.00 0.00 N ATOM 415 CA GLN A 28 3.668 3.822 13.924 1.00 0.00 C ATOM 416 C GLN A 28 4.093 4.102 12.495 1.00 0.00 C ATOM 417 O GLN A 28 3.249 4.403 11.652 1.00 0.00 O ATOM 418 CB GLN A 28 3.060 5.061 14.582 1.00 0.00 C ATOM 419 CG GLN A 28 2.086 4.632 15.688 1.00 0.00 C ATOM 420 CD GLN A 28 2.594 3.431 16.487 1.00 0.00 C ATOM 421 OE1 GLN A 28 2.211 2.226 16.058 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 3.317 3.578 17.469 1.00 0.00 N flip ATOM 0 H GLN A 28 5.362 4.144 15.105 1.00 0.00 H new ATOM 0 HA GLN A 28 2.910 3.039 13.896 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.848 5.687 15.001 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.538 5.662 13.837 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.919 5.470 16.365 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.122 4.386 15.243 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.589 4.515 17.767 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.646 2.763 17.987 1.00 0.00 H new ATOM 431 N GLN A 29 5.394 4.001 12.219 1.00 0.00 N ATOM 432 CA GLN A 29 5.909 4.177 10.876 1.00 0.00 C ATOM 433 C GLN A 29 5.722 2.895 10.087 1.00 0.00 C ATOM 434 O GLN A 29 5.741 1.802 10.647 1.00 0.00 O ATOM 435 CB GLN A 29 7.398 4.501 10.946 1.00 0.00 C ATOM 436 CG GLN A 29 7.577 5.918 11.479 1.00 0.00 C ATOM 437 CD GLN A 29 9.002 6.208 11.907 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.211 7.082 12.743 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.981 5.498 11.350 1.00 0.00 N ATOM 0 H GLN A 29 6.108 3.797 12.918 1.00 0.00 H new ATOM 0 HA GLN A 29 5.372 4.991 10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.908 3.788 11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.849 4.411 9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.281 6.631 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.910 6.069 12.327 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.761 4.781 10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.951 5.671 11.614 1.00 0.00 H new ATOM 448 N VAL A 30 5.542 3.040 8.776 1.00 0.00 N ATOM 449 CA VAL A 30 5.465 1.901 7.883 1.00 0.00 C ATOM 450 C VAL A 30 6.338 2.164 6.668 1.00 0.00 C ATOM 451 O VAL A 30 6.165 3.177 5.990 1.00 0.00 O ATOM 452 CB VAL A 30 4.006 1.676 7.463 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.909 0.415 6.610 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.103 1.492 8.685 1.00 0.00 C ATOM 0 H VAL A 30 5.447 3.944 8.313 1.00 0.00 H new ATOM 0 HA VAL A 30 5.822 1.003 8.388 1.00 0.00 H new ATOM 0 HB VAL A 30 3.681 2.552 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.873 0.256 6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.529 0.529 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.256 -0.442 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.075 1.334 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.438 0.627 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.152 2.383 9.311 1.00 0.00 H new ATOM 464 N ARG A 31 7.273 1.248 6.394 1.00 0.00 N ATOM 465 CA ARG A 31 8.032 1.272 5.153 1.00 0.00 C ATOM 466 C ARG A 31 7.215 0.543 4.103 1.00 0.00 C ATOM 467 O ARG A 31 6.887 -0.635 4.268 1.00 0.00 O ATOM 468 CB ARG A 31 9.378 0.561 5.281 1.00 0.00 C ATOM 469 CG ARG A 31 10.481 1.460 5.829 1.00 0.00 C ATOM 470 CD ARG A 31 11.847 0.937 5.364 1.00 0.00 C ATOM 471 NE ARG A 31 12.122 -0.425 5.833 1.00 0.00 N ATOM 472 CZ ARG A 31 13.189 -1.132 5.446 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.067 -0.620 4.589 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.385 -2.361 5.913 1.00 0.00 N ATOM 0 H ARG A 31 7.518 0.482 7.021 1.00 0.00 H new ATOM 0 HA ARG A 31 8.225 2.312 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.264 -0.304 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.677 0.184 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.335 2.484 5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.440 1.482 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.887 0.957 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.629 1.606 5.724 1.00 0.00 H new ATOM 0 HE ARG A 31 11.467 -0.854 6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.930 0.321 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.877 -1.168 4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.720 -2.769 6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.201 -2.896 5.615 1.00 0.00 H new ATOM 488 N ILE A 32 6.895 1.259 3.027 1.00 0.00 N ATOM 489 CA ILE A 32 6.117 0.729 1.925 1.00 0.00 C ATOM 490 C ILE A 32 6.948 0.879 0.658 1.00 0.00 C ATOM 491 O ILE A 32 7.634 1.884 0.483 1.00 0.00 O ATOM 492 CB ILE A 32 4.788 1.486 1.804 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.164 1.726 3.187 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.839 0.700 0.895 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.765 2.335 3.097 1.00 0.00 C ATOM 0 H ILE A 32 7.174 2.232 2.901 1.00 0.00 H new ATOM 0 HA ILE A 32 5.880 -0.322 2.090 1.00 0.00 H new ATOM 0 HB ILE A 32 4.972 2.465 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.112 0.781 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.809 2.389 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.893 1.235 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.288 0.591 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.659 -0.286 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.368 2.485 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.818 3.294 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.110 1.661 2.545 1.00 0.00 H new ATOM 507 N GLY A 33 6.883 -0.117 -0.225 1.00 0.00 N ATOM 508 CA GLY A 33 7.631 -0.117 -1.468 1.00 0.00 C ATOM 509 C GLY A 33 6.659 -0.111 -2.638 1.00 0.00 C ATOM 510 O GLY A 33 5.545 -0.623 -2.520 1.00 0.00 O ATOM 0 H GLY A 33 6.306 -0.947 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.281 0.757 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.274 -0.995 -1.519 1.00 0.00 H new ATOM 514 N ILE A 34 7.076 0.470 -3.760 1.00 0.00 N ATOM 515 CA ILE A 34 6.249 0.538 -4.951 1.00 0.00 C ATOM 516 C ILE A 34 7.122 0.186 -6.146 1.00 0.00 C ATOM 517 O ILE A 34 8.307 0.517 -6.170 1.00 0.00 O ATOM 518 CB ILE A 34 5.649 1.943 -5.084 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.857 2.286 -3.814 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.758 1.998 -6.331 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.296 3.706 -3.841 1.00 0.00 C ATOM 0 H ILE A 34 7.993 0.904 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 34 5.419 -0.166 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 34 6.442 2.682 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.037 1.577 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.504 2.171 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.330 2.996 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.354 1.771 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.956 1.266 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.745 3.897 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.116 4.419 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.626 3.817 -4.694 1.00 0.00 H new ATOM 533 N ASN A 35 6.538 -0.486 -7.139 1.00 0.00 N ATOM 534 CA ASN A 35 7.268 -0.924 -8.315 1.00 0.00 C ATOM 535 C ASN A 35 6.424 -0.631 -9.546 1.00 0.00 C ATOM 536 O ASN A 35 5.464 -1.341 -9.835 1.00 0.00 O ATOM 537 CB ASN A 35 7.594 -2.410 -8.170 1.00 0.00 C ATOM 538 CG ASN A 35 8.513 -2.910 -9.275 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.955 -2.144 -10.126 1.00 0.00 O ATOM 540 ND2 ASN A 35 8.809 -4.205 -9.265 1.00 0.00 N ATOM 0 H ASN A 35 5.550 -0.738 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 35 8.212 -0.390 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.065 -2.584 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.668 -2.986 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.423 -4.593 -9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.422 -4.811 -8.541 1.00 0.00 H new ATOM 547 N ALA A 36 6.807 0.427 -10.260 1.00 0.00 N ATOM 548 CA ALA A 36 6.107 0.901 -11.439 1.00 0.00 C ATOM 549 C ALA A 36 7.124 1.448 -12.438 1.00 0.00 C ATOM 550 O ALA A 36 8.218 1.851 -12.039 1.00 0.00 O ATOM 551 CB ALA A 36 5.131 1.994 -11.001 1.00 0.00 C ATOM 0 H ALA A 36 7.628 0.984 -10.026 1.00 0.00 H new ATOM 0 HA ALA A 36 5.555 0.094 -11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.590 2.369 -11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.422 1.582 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.684 2.811 -10.538 1.00 0.00 H new ATOM 557 N PRO A 37 6.788 1.472 -13.733 1.00 0.00 N ATOM 558 CA PRO A 37 7.639 2.035 -14.767 1.00 0.00 C ATOM 559 C PRO A 37 7.640 3.554 -14.684 1.00 0.00 C ATOM 560 O PRO A 37 6.672 4.151 -14.215 1.00 0.00 O ATOM 561 CB PRO A 37 7.007 1.578 -16.083 1.00 0.00 C ATOM 562 CG PRO A 37 5.526 1.450 -15.739 1.00 0.00 C ATOM 563 CD PRO A 37 5.554 0.953 -14.294 1.00 0.00 C ATOM 0 HA PRO A 37 8.675 1.711 -14.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.173 2.302 -16.881 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.424 0.630 -16.421 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.006 2.404 -15.828 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.017 0.747 -16.398 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.688 1.312 -13.738 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.531 -0.136 -14.252 1.00 0.00 H new ATOM 571 N LYS A 38 8.722 4.195 -15.138 1.00 0.00 N ATOM 572 CA LYS A 38 8.797 5.653 -15.191 1.00 0.00 C ATOM 573 C LYS A 38 7.785 6.211 -16.198 1.00 0.00 C ATOM 574 O LYS A 38 7.644 7.425 -16.320 1.00 0.00 O ATOM 575 CB LYS A 38 10.227 6.094 -15.528 1.00 0.00 C ATOM 576 CG LYS A 38 11.207 5.791 -14.385 1.00 0.00 C ATOM 577 CD LYS A 38 10.936 6.563 -13.085 1.00 0.00 C ATOM 578 CE LYS A 38 11.286 8.053 -13.175 1.00 0.00 C ATOM 579 NZ LYS A 38 10.263 8.830 -13.908 1.00 0.00 N ATOM 0 H LYS A 38 9.560 3.721 -15.475 1.00 0.00 H new ATOM 0 HA LYS A 38 8.540 6.057 -14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.559 5.587 -16.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.236 7.163 -15.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.175 4.723 -14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.218 6.018 -14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.883 6.460 -12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.511 6.111 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.395 8.459 -12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.250 8.168 -13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.606 9.037 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.384 8.278 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.079 9.722 -13.406 1.00 0.00 H new ATOM 593 N ASP A 39 7.088 5.319 -16.910 1.00 0.00 N ATOM 594 CA ASP A 39 5.982 5.666 -17.788 1.00 0.00 C ATOM 595 C ASP A 39 4.782 6.163 -16.978 1.00 0.00 C ATOM 596 O ASP A 39 3.821 6.673 -17.553 1.00 0.00 O ATOM 597 CB ASP A 39 5.593 4.431 -18.603 1.00 0.00 C ATOM 598 CG ASP A 39 6.675 4.069 -19.615 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.664 4.668 -20.711 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.508 3.195 -19.284 1.00 0.00 O ATOM 0 H ASP A 39 7.286 4.319 -16.887 1.00 0.00 H new ATOM 0 HA ASP A 39 6.291 6.469 -18.457 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.424 3.589 -17.932 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.654 4.618 -19.123 1.00 0.00 H new ATOM 605 N VAL A 40 4.833 6.017 -15.648 1.00 0.00 N ATOM 606 CA VAL A 40 3.789 6.486 -14.746 1.00 0.00 C ATOM 607 C VAL A 40 4.429 7.120 -13.512 1.00 0.00 C ATOM 608 O VAL A 40 5.603 6.880 -13.222 1.00 0.00 O ATOM 609 CB VAL A 40 2.834 5.350 -14.350 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.263 4.659 -15.591 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.522 4.288 -13.488 1.00 0.00 C ATOM 0 H VAL A 40 5.611 5.564 -15.169 1.00 0.00 H new ATOM 0 HA VAL A 40 3.193 7.237 -15.265 1.00 0.00 H new ATOM 0 HB VAL A 40 2.035 5.814 -13.772 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.590 3.858 -15.284 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.714 5.385 -16.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.078 4.241 -16.182 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.806 3.506 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.354 3.852 -14.042 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.897 4.748 -12.574 1.00 0.00 H new ATOM 621 N ALA A 41 3.666 7.933 -12.783 1.00 0.00 N ATOM 622 CA ALA A 41 4.185 8.678 -11.646 1.00 0.00 C ATOM 623 C ALA A 41 3.763 8.055 -10.317 1.00 0.00 C ATOM 624 O ALA A 41 2.755 7.351 -10.244 1.00 0.00 O ATOM 625 CB ALA A 41 3.671 10.115 -11.742 1.00 0.00 C ATOM 0 H ALA A 41 2.675 8.091 -12.966 1.00 0.00 H new ATOM 0 HA ALA A 41 5.274 8.656 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.048 10.693 -10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.017 10.564 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.581 10.114 -11.723 1.00 0.00 H new ATOM 631 N VAL A 42 4.540 8.323 -9.266 1.00 0.00 N ATOM 632 CA VAL A 42 4.220 7.894 -7.908 1.00 0.00 C ATOM 633 C VAL A 42 4.872 8.852 -6.915 1.00 0.00 C ATOM 634 O VAL A 42 6.047 9.182 -7.056 1.00 0.00 O ATOM 635 CB VAL A 42 4.694 6.450 -7.705 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.125 6.230 -8.183 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.640 6.036 -6.241 1.00 0.00 C ATOM 0 H VAL A 42 5.413 8.846 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 42 3.143 7.917 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 42 4.010 5.844 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.409 5.191 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.192 6.458 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.798 6.884 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.984 5.007 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.282 6.692 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.615 6.113 -5.879 1.00 0.00 H new ATOM 647 N HIS A 43 4.114 9.304 -5.907 1.00 0.00 N ATOM 648 CA HIS A 43 4.615 10.276 -4.943 1.00 0.00 C ATOM 649 C HIS A 43 3.844 10.230 -3.631 1.00 0.00 C ATOM 650 O HIS A 43 2.768 9.644 -3.547 1.00 0.00 O ATOM 651 CB HIS A 43 4.442 11.700 -5.487 1.00 0.00 C ATOM 652 CG HIS A 43 5.011 11.930 -6.857 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.342 12.245 -7.135 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.303 11.862 -8.020 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.399 12.367 -8.473 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.195 12.143 -9.027 1.00 0.00 N ATOM 0 H HIS A 43 3.152 9.008 -5.743 1.00 0.00 H new ATOM 0 HA HIS A 43 5.662 10.025 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.379 11.938 -5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.912 12.397 -4.793 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.106 12.358 -6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.253 11.633 -8.128 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.292 12.612 -9.028 1.00 0.00 H new ATOM 664 N ARG A 44 4.413 10.868 -2.603 1.00 0.00 N ATOM 665 CA ARG A 44 3.729 11.122 -1.342 1.00 0.00 C ATOM 666 C ARG A 44 2.562 12.073 -1.618 1.00 0.00 C ATOM 667 O ARG A 44 2.586 12.797 -2.606 1.00 0.00 O ATOM 668 CB ARG A 44 4.729 11.752 -0.366 1.00 0.00 C ATOM 669 CG ARG A 44 5.796 10.739 0.054 1.00 0.00 C ATOM 670 CD ARG A 44 7.121 11.434 0.392 1.00 0.00 C ATOM 671 NE ARG A 44 6.945 12.542 1.337 1.00 0.00 N ATOM 672 CZ ARG A 44 7.684 13.658 1.304 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.653 13.806 0.407 1.00 0.00 N ATOM 674 NH2 ARG A 44 7.454 14.638 2.172 1.00 0.00 N ATOM 0 H ARG A 44 5.369 11.223 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 44 3.344 10.202 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.205 12.614 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.202 12.117 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.446 10.177 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.955 10.020 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.813 10.706 0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.575 11.810 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 44 6.225 12.458 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.841 13.064 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.209 14.661 0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.713 14.541 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.019 15.487 2.144 1.00 0.00 H new ATOM 688 N GLU A 45 1.547 12.078 -0.755 1.00 0.00 N ATOM 689 CA GLU A 45 0.380 12.929 -0.959 1.00 0.00 C ATOM 690 C GLU A 45 0.751 14.415 -0.882 1.00 0.00 C ATOM 691 O GLU A 45 0.052 15.253 -1.450 1.00 0.00 O ATOM 692 CB GLU A 45 -0.693 12.531 0.062 1.00 0.00 C ATOM 693 CG GLU A 45 -2.038 13.216 -0.190 1.00 0.00 C ATOM 694 CD GLU A 45 -2.167 14.596 0.464 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.294 14.952 1.288 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.153 15.291 0.124 1.00 0.00 O ATOM 0 H GLU A 45 1.511 11.505 0.088 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.021 12.781 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.831 11.450 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.345 12.782 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.186 13.320 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.837 12.573 0.181 1.00 0.00 H new ATOM 703 N GLU A 46 1.841 14.755 -0.186 1.00 0.00 N ATOM 704 CA GLU A 46 2.343 16.125 -0.144 1.00 0.00 C ATOM 705 C GLU A 46 2.968 16.493 -1.484 1.00 0.00 C ATOM 706 O GLU A 46 2.711 17.556 -2.042 1.00 0.00 O ATOM 707 CB GLU A 46 3.448 16.215 0.914 1.00 0.00 C ATOM 708 CG GLU A 46 4.008 17.632 1.039 1.00 0.00 C ATOM 709 CD GLU A 46 2.978 18.593 1.632 1.00 0.00 C ATOM 710 OE1 GLU A 46 2.806 18.560 2.871 1.00 0.00 O ATOM 711 OE2 GLU A 46 2.371 19.354 0.846 1.00 0.00 O ATOM 0 H GLU A 46 2.393 14.092 0.358 1.00 0.00 H new ATOM 0 HA GLU A 46 1.515 16.796 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.053 15.895 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.254 15.528 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.898 17.618 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.317 17.990 0.057 1.00 0.00 H new ATOM 718 N ILE A 47 3.804 15.583 -1.990 1.00 0.00 N ATOM 719 CA ILE A 47 4.617 15.821 -3.168 1.00 0.00 C ATOM 720 C ILE A 47 3.778 15.722 -4.434 1.00 0.00 C ATOM 721 O ILE A 47 4.033 16.448 -5.391 1.00 0.00 O ATOM 722 CB ILE A 47 5.747 14.788 -3.163 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.591 14.897 -1.888 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.639 14.966 -4.387 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.097 16.315 -1.615 1.00 0.00 C ATOM 0 H ILE A 47 3.931 14.656 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 47 5.033 16.828 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 47 5.291 13.798 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.997 14.561 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.444 14.223 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.437 14.223 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.045 14.836 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.074 15.966 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.687 16.321 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.717 16.647 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.248 16.989 -1.504 1.00 0.00 H new ATOM 737 N TYR A 48 2.777 14.842 -4.459 1.00 0.00 N ATOM 738 CA TYR A 48 1.939 14.680 -5.633 1.00 0.00 C ATOM 739 C TYR A 48 1.318 16.012 -6.049 1.00 0.00 C ATOM 740 O TYR A 48 1.248 16.318 -7.237 1.00 0.00 O ATOM 741 CB TYR A 48 0.837 13.665 -5.327 1.00 0.00 C ATOM 742 CG TYR A 48 -0.266 13.683 -6.356 1.00 0.00 C ATOM 743 CD1 TYR A 48 0.042 13.674 -7.726 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.603 13.723 -5.935 1.00 0.00 C ATOM 745 CE1 TYR A 48 -0.985 13.740 -8.676 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.637 13.768 -6.879 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.329 13.782 -8.257 1.00 0.00 C ATOM 748 OH TYR A 48 -3.329 13.835 -9.183 1.00 0.00 O ATOM 0 H TYR A 48 2.532 14.234 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 48 2.555 14.322 -6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.270 12.666 -5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.416 13.876 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.071 13.616 -8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.836 13.719 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.746 13.759 -9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.667 13.792 -6.554 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.196 13.858 -8.727 1.00 0.00 H new ATOM 758 N GLN A 49 0.869 16.808 -5.076 1.00 0.00 N ATOM 759 CA GLN A 49 0.236 18.087 -5.367 1.00 0.00 C ATOM 760 C GLN A 49 1.240 19.070 -5.968 1.00 0.00 C ATOM 761 O GLN A 49 0.847 20.032 -6.625 1.00 0.00 O ATOM 762 CB GLN A 49 -0.340 18.677 -4.077 1.00 0.00 C ATOM 763 CG GLN A 49 -1.378 17.745 -3.451 1.00 0.00 C ATOM 764 CD GLN A 49 -1.885 18.310 -2.127 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.517 19.363 -2.095 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.610 17.618 -1.028 1.00 0.00 N ATOM 0 H GLN A 49 0.934 16.586 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.562 17.919 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.466 18.856 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.798 19.643 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.214 17.610 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.938 16.761 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.083 16.747 -1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.926 17.957 -0.119 1.00 0.00 H new ATOM 775 N ARG A 50 2.538 18.832 -5.747 1.00 0.00 N ATOM 776 CA ARG A 50 3.591 19.728 -6.197 1.00 0.00 C ATOM 777 C ARG A 50 3.974 19.450 -7.649 1.00 0.00 C ATOM 778 O ARG A 50 4.311 20.381 -8.379 1.00 0.00 O ATOM 779 CB ARG A 50 4.790 19.571 -5.261 1.00 0.00 C ATOM 780 CG ARG A 50 5.865 20.602 -5.597 1.00 0.00 C ATOM 781 CD ARG A 50 7.015 20.444 -4.607 1.00 0.00 C ATOM 782 NE ARG A 50 6.645 20.913 -3.267 1.00 0.00 N ATOM 783 CZ ARG A 50 7.229 20.508 -2.134 1.00 0.00 C ATOM 784 NH1 ARG A 50 8.225 19.629 -2.152 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.810 20.988 -0.967 1.00 0.00 N ATOM 0 H ARG A 50 2.881 18.010 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 50 3.236 20.758 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.470 19.693 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.201 18.565 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.221 20.459 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.454 21.610 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.311 19.396 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.881 21.003 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 50 5.890 21.595 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.556 19.252 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.659 19.332 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.046 21.663 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.253 20.681 -0.101 1.00 0.00 H new ATOM 799 N ILE A 51 3.923 18.187 -8.081 1.00 0.00 N ATOM 800 CA ILE A 51 4.149 17.847 -9.481 1.00 0.00 C ATOM 801 C ILE A 51 3.025 18.452 -10.328 1.00 0.00 C ATOM 802 O ILE A 51 3.158 18.592 -11.544 1.00 0.00 O ATOM 803 CB ILE A 51 4.296 16.329 -9.680 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.651 15.817 -9.161 1.00 0.00 C ATOM 805 CG2 ILE A 51 4.274 15.956 -11.164 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.729 15.773 -7.640 1.00 0.00 C ATOM 0 H ILE A 51 3.727 17.387 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 51 5.095 18.275 -9.812 1.00 0.00 H new ATOM 0 HB ILE A 51 3.462 15.885 -9.136 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.831 14.818 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.445 16.459 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.380 14.876 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.329 16.273 -11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.098 16.453 -11.676 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.709 15.404 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.579 16.775 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.955 15.109 -7.255 1.00 0.00 H new ATOM 1635 N MET C 1 11.948 0.016 -7.743 1.00 0.00 N ATOM 1636 CA MET C 1 11.413 0.142 -6.370 1.00 0.00 C ATOM 1637 C MET C 1 11.564 1.568 -5.863 1.00 0.00 C ATOM 1638 O MET C 1 12.642 2.141 -5.961 1.00 0.00 O ATOM 1639 CB MET C 1 12.144 -0.790 -5.402 1.00 0.00 C ATOM 1640 CG MET C 1 11.662 -0.595 -3.965 1.00 0.00 C ATOM 1641 SD MET C 1 10.011 -1.246 -3.631 1.00 0.00 S ATOM 1642 CE MET C 1 10.487 -2.971 -3.403 1.00 0.00 C ATOM 0 H1 MET C 1 11.836 -0.965 -8.071 1.00 0.00 H new ATOM 0 H2 MET C 1 11.428 0.655 -8.378 1.00 0.00 H new ATOM 0 H3 MET C 1 12.957 0.269 -7.747 1.00 0.00 H new ATOM 0 HA MET C 1 10.359 -0.131 -6.412 1.00 0.00 H new ATOM 0 HB2 MET C 1 11.985 -1.826 -5.703 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.217 -0.603 -5.456 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.371 -1.074 -3.290 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.672 0.470 -3.734 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.617 -3.551 -3.095 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.875 -3.368 -4.341 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.257 -3.037 -2.635 1.00 0.00 H new ATOM 1654 N LEU C 2 10.487 2.132 -5.319 1.00 0.00 N ATOM 1655 CA LEU C 2 10.514 3.447 -4.705 1.00 0.00 C ATOM 1656 C LEU C 2 9.897 3.291 -3.316 1.00 0.00 C ATOM 1657 O LEU C 2 8.688 3.090 -3.193 1.00 0.00 O ATOM 1658 CB LEU C 2 9.755 4.425 -5.611 1.00 0.00 C ATOM 1659 CG LEU C 2 9.842 5.908 -5.214 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.562 6.331 -4.516 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.009 6.248 -4.284 1.00 0.00 C ATOM 0 H LEU C 2 9.571 1.684 -5.294 1.00 0.00 H new ATOM 0 HA LEU C 2 11.519 3.853 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.133 4.317 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.705 4.134 -5.629 1.00 0.00 H new ATOM 0 HG LEU C 2 10.001 6.444 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.630 7.383 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.716 6.188 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.419 5.727 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU C 2 10.994 7.314 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.916 5.678 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU C 2 11.950 5.995 -4.773 1.00 0.00 H new ATOM 1673 N ILE C 3 10.732 3.376 -2.278 1.00 0.00 N ATOM 1674 CA ILE C 3 10.297 3.249 -0.898 1.00 0.00 C ATOM 1675 C ILE C 3 9.846 4.609 -0.393 1.00 0.00 C ATOM 1676 O ILE C 3 10.386 5.643 -0.785 1.00 0.00 O ATOM 1677 CB ILE C 3 11.429 2.733 0.011 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.841 1.298 -0.321 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.945 2.729 1.467 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.927 1.249 -1.389 1.00 0.00 C ATOM 0 H ILE C 3 11.734 3.536 -2.379 1.00 0.00 H new ATOM 0 HA ILE C 3 9.478 2.530 -0.867 1.00 0.00 H new ATOM 0 HB ILE C 3 12.281 3.395 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.199 0.805 0.583 1.00 0.00 H new ATOM 0 HG13 ILE C 3 10.969 0.741 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.743 2.365 2.115 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.672 3.742 1.762 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.076 2.077 1.560 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.189 0.211 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.561 1.718 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.809 1.783 -1.036 1.00 0.00 H new ATOM 1692 N LEU C 4 8.846 4.589 0.486 1.00 0.00 N ATOM 1693 CA LEU C 4 8.357 5.757 1.188 1.00 0.00 C ATOM 1694 C LEU C 4 8.048 5.339 2.621 1.00 0.00 C ATOM 1695 O LEU C 4 7.780 4.167 2.883 1.00 0.00 O ATOM 1696 CB LEU C 4 7.093 6.288 0.499 1.00 0.00 C ATOM 1697 CG LEU C 4 7.357 6.790 -0.926 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.032 7.160 -1.583 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.253 8.030 -0.917 1.00 0.00 C ATOM 0 H LEU C 4 8.346 3.734 0.731 1.00 0.00 H new ATOM 0 HA LEU C 4 9.102 6.552 1.181 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.343 5.498 0.467 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.675 7.100 1.094 1.00 0.00 H new ATOM 0 HG LEU C 4 7.856 5.994 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.216 7.517 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.386 6.283 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.545 7.945 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.423 8.363 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.767 8.826 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.208 7.786 -0.452 1.00 0.00 H new ATOM 1711 N THR C 5 8.081 6.296 3.548 1.00 0.00 N ATOM 1712 CA THR C 5 7.733 6.043 4.936 1.00 0.00 C ATOM 1713 C THR C 5 6.533 6.896 5.295 1.00 0.00 C ATOM 1714 O THR C 5 6.395 8.025 4.820 1.00 0.00 O ATOM 1715 CB THR C 5 8.898 6.366 5.874 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.448 7.627 5.569 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.979 5.303 5.767 1.00 0.00 C ATOM 0 H THR C 5 8.349 7.261 3.355 1.00 0.00 H new ATOM 0 HA THR C 5 7.500 4.985 5.053 1.00 0.00 H new ATOM 0 HB THR C 5 8.513 6.384 6.893 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.190 7.817 6.180 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.799 5.549 6.441 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.564 4.333 6.040 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.350 5.263 4.743 1.00 0.00 H new ATOM 1725 N ARG C 6 5.658 6.356 6.142 1.00 0.00 N ATOM 1726 CA ARG C 6 4.496 7.099 6.592 1.00 0.00 C ATOM 1727 C ARG C 6 4.015 6.582 7.933 1.00 0.00 C ATOM 1728 O ARG C 6 4.410 5.503 8.363 1.00 0.00 O ATOM 1729 CB ARG C 6 3.398 6.999 5.537 1.00 0.00 C ATOM 1730 CG ARG C 6 3.033 8.414 5.098 1.00 0.00 C ATOM 1731 CD ARG C 6 2.238 8.387 3.796 1.00 0.00 C ATOM 1732 NE ARG C 6 0.974 7.657 3.916 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.784 6.379 3.581 1.00 0.00 C ATOM 1734 NH1 ARG C 6 1.798 5.589 3.249 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.447 5.877 3.574 1.00 0.00 N ATOM 0 H ARG C 6 5.736 5.414 6.525 1.00 0.00 H new ATOM 0 HA ARG C 6 4.765 8.147 6.725 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.741 6.413 4.685 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.525 6.489 5.944 1.00 0.00 H new ATOM 0 HG2 ARG C 6 2.448 8.902 5.877 1.00 0.00 H new ATOM 0 HG3 ARG C 6 3.940 9.004 4.964 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.033 9.410 3.480 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.844 7.928 3.015 1.00 0.00 H new ATOM 0 HE ARG C 6 0.172 8.168 4.286 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.750 5.955 3.246 1.00 0.00 H new ATOM 0 HH12 ARG C 6 1.625 4.616 2.997 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -1.240 6.468 3.824 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.598 4.901 3.319 1.00 0.00 H new ATOM 1749 N LYS C 7 3.154 7.361 8.593 1.00 0.00 N ATOM 1750 CA LYS C 7 2.606 6.984 9.885 1.00 0.00 C ATOM 1751 C LYS C 7 1.144 6.600 9.692 1.00 0.00 C ATOM 1752 O LYS C 7 0.504 7.062 8.743 1.00 0.00 O ATOM 1753 CB LYS C 7 2.696 8.160 10.857 1.00 0.00 C ATOM 1754 CG LYS C 7 4.099 8.763 11.019 1.00 0.00 C ATOM 1755 CD LYS C 7 5.099 7.887 11.776 1.00 0.00 C ATOM 1756 CE LYS C 7 4.881 7.861 13.288 1.00 0.00 C ATOM 1757 NZ LYS C 7 4.865 9.221 13.859 1.00 0.00 N ATOM 0 H LYS C 7 2.824 8.261 8.245 1.00 0.00 H new ATOM 0 HA LYS C 7 3.170 6.146 10.295 1.00 0.00 H new ATOM 0 HB2 LYS C 7 2.017 8.943 10.520 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.343 7.832 11.835 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.503 8.976 10.029 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.010 9.717 11.538 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.037 6.868 11.393 1.00 0.00 H new ATOM 0 HD3 LYS C 7 6.108 8.244 11.571 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.939 7.361 13.512 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.671 7.277 13.760 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.072 9.173 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.585 9.804 13.387 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.927 9.646 13.717 1.00 0.00 H new ATOM 1771 N VAL C 8 0.606 5.765 10.581 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.790 5.353 10.477 1.00 0.00 C ATOM 1773 C VAL C 8 -1.702 6.584 10.459 1.00 0.00 C ATOM 1774 O VAL C 8 -1.652 7.414 11.367 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.153 4.358 11.589 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.247 3.129 11.485 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.013 4.932 12.998 1.00 0.00 C ATOM 0 H VAL C 8 1.111 5.365 11.372 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.940 4.826 9.535 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.203 4.106 11.440 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.502 2.421 12.273 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.386 2.656 10.513 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.794 3.434 11.595 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.286 4.172 13.729 1.00 0.00 H new ATOM 0 HG22 VAL C 8 0.019 5.241 13.164 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.672 5.794 13.107 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.535 6.701 9.419 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.463 7.811 9.259 1.00 0.00 C ATOM 1789 C GLY C 9 -3.139 8.715 8.066 1.00 0.00 C ATOM 1790 O GLY C 9 -3.891 9.648 7.792 1.00 0.00 O ATOM 0 H GLY C 9 -2.579 6.019 8.662 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.472 7.416 9.141 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.460 8.410 10.169 1.00 0.00 H new ATOM 1794 N GLU C 10 -2.037 8.459 7.350 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.607 9.309 6.240 1.00 0.00 C ATOM 1796 C GLU C 10 -1.907 8.674 4.873 1.00 0.00 C ATOM 1797 O GLU C 10 -2.461 7.578 4.805 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.110 9.588 6.389 1.00 0.00 C ATOM 1799 CG GLU C 10 0.202 10.332 7.691 1.00 0.00 C ATOM 1800 CD GLU C 10 -0.494 11.691 7.749 1.00 0.00 C ATOM 1801 OE1 GLU C 10 -0.386 12.440 6.754 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -1.131 11.972 8.789 1.00 0.00 O ATOM 0 H GLU C 10 -1.424 7.662 7.524 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.169 10.242 6.278 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.439 8.647 6.367 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.236 10.179 5.541 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.113 9.726 8.540 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.279 10.471 7.781 1.00 0.00 H new ATOM 1809 N SER C 11 -1.543 9.358 3.779 1.00 0.00 N ATOM 1810 CA SER C 11 -1.857 8.900 2.425 1.00 0.00 C ATOM 1811 C SER C 11 -0.698 9.095 1.442 1.00 0.00 C ATOM 1812 O SER C 11 0.258 9.816 1.723 1.00 0.00 O ATOM 1813 CB SER C 11 -3.084 9.655 1.910 1.00 0.00 C ATOM 1814 OG SER C 11 -4.181 9.459 2.776 1.00 0.00 O ATOM 0 H SER C 11 -1.027 10.237 3.810 1.00 0.00 H new ATOM 0 HA SER C 11 -2.051 7.829 2.486 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.859 10.719 1.833 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.337 9.310 0.908 1.00 0.00 H new ATOM 0 HG SER C 11 -4.958 9.949 2.435 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.802 8.437 0.281 1.00 0.00 N ATOM 1821 CA ILE C 12 0.182 8.431 -0.807 1.00 0.00 C ATOM 1822 C ILE C 12 -0.578 8.390 -2.139 1.00 0.00 C ATOM 1823 O ILE C 12 -1.774 8.111 -2.149 1.00 0.00 O ATOM 1824 CB ILE C 12 1.133 7.225 -0.627 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.134 7.576 0.478 1.00 0.00 C ATOM 1826 CG2 ILE C 12 1.891 6.839 -1.896 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.182 6.490 0.734 1.00 0.00 C ATOM 0 H ILE C 12 -1.618 7.865 0.064 1.00 0.00 H new ATOM 0 HA ILE C 12 0.799 9.329 -0.796 1.00 0.00 H new ATOM 0 HB ILE C 12 0.522 6.360 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.643 8.503 0.213 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.588 7.765 1.402 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.537 5.986 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.180 6.574 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.498 7.681 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.854 6.813 1.529 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.684 5.567 1.032 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.755 6.316 -0.177 1.00 0.00 H new ATOM 1839 N ASN C 13 0.090 8.665 -3.266 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.564 8.742 -4.567 1.00 0.00 C ATOM 1841 C ASN C 13 0.220 8.012 -5.650 1.00 0.00 C ATOM 1842 O ASN C 13 1.439 7.863 -5.572 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.736 10.214 -4.942 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.952 10.811 -4.253 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.828 11.570 -3.297 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.143 10.468 -4.734 1.00 0.00 N ATOM 0 H ASN C 13 1.095 8.839 -3.296 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.534 8.251 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.157 10.772 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.843 10.308 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.992 10.839 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.208 9.834 -5.531 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.511 7.557 -6.673 1.00 0.00 N ATOM 1854 CA ILE C 14 0.037 6.841 -7.817 1.00 0.00 C ATOM 1855 C ILE C 14 -0.735 7.274 -9.064 1.00 0.00 C ATOM 1856 O ILE C 14 -1.941 7.521 -9.001 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.092 5.323 -7.603 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.608 4.892 -6.305 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.511 4.572 -8.793 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.460 3.397 -6.031 1.00 0.00 C ATOM 0 H ILE C 14 -1.522 7.682 -6.724 1.00 0.00 H new ATOM 0 HA ILE C 14 1.095 7.074 -7.937 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.151 5.078 -7.522 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.667 5.144 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.194 5.454 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.415 3.498 -8.632 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.017 4.851 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.565 4.831 -8.891 1.00 0.00 H new ATOM 0 HD11 ILE C 14 0.972 3.145 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.597 3.146 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.899 2.831 -6.853 1.00 0.00 H new ATOM 1872 N GLY C 15 -0.041 7.368 -10.204 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.647 7.819 -11.444 1.00 0.00 C ATOM 1874 C GLY C 15 -1.312 9.174 -11.250 1.00 0.00 C ATOM 1875 O GLY C 15 -0.765 10.051 -10.579 1.00 0.00 O ATOM 0 H GLY C 15 0.948 7.134 -10.284 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.113 7.888 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.384 7.090 -11.781 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.495 9.342 -11.839 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.289 10.557 -11.709 1.00 0.00 C ATOM 1881 C ASP C 16 -4.721 10.194 -11.319 1.00 0.00 C ATOM 1882 O ASP C 16 -5.610 11.045 -11.349 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.247 11.340 -13.025 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.829 11.786 -13.375 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.417 12.852 -12.869 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -1.167 11.055 -14.147 1.00 0.00 O ATOM 0 H ASP C 16 -2.931 8.630 -12.425 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.876 11.191 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.642 10.720 -13.830 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.894 12.214 -12.949 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.947 8.925 -10.956 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.273 8.406 -10.655 1.00 0.00 C ATOM 1893 C ASP C 17 -6.249 7.420 -9.485 1.00 0.00 C ATOM 1894 O ASP C 17 -7.262 6.768 -9.230 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.841 7.724 -11.903 1.00 0.00 C ATOM 1896 CG ASP C 17 -7.010 8.705 -13.057 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -8.020 9.441 -13.046 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.128 8.709 -13.946 1.00 0.00 O ATOM 0 H ASP C 17 -4.205 8.231 -10.864 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.907 9.242 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.178 6.914 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.805 7.274 -11.664 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.130 7.292 -8.761 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.049 6.347 -7.651 1.00 0.00 C ATOM 1905 C ILE C 18 -4.493 7.035 -6.406 1.00 0.00 C ATOM 1906 O ILE C 18 -3.658 7.935 -6.489 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.193 5.130 -8.041 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.744 4.399 -9.271 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.154 4.131 -6.879 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.133 4.921 -10.575 1.00 0.00 C ATOM 0 H ILE C 18 -4.278 7.828 -8.925 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.053 5.991 -7.420 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.197 5.507 -8.275 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.542 3.332 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.827 4.516 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.547 3.270 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.721 4.611 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.167 3.801 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.553 4.373 -11.419 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.358 5.982 -10.683 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.052 4.779 -10.553 1.00 0.00 H new ATOM 1922 N THR C 19 -4.975 6.594 -5.240 1.00 0.00 N ATOM 1923 CA THR C 19 -4.542 7.078 -3.935 1.00 0.00 C ATOM 1924 C THR C 19 -4.412 5.877 -2.996 1.00 0.00 C ATOM 1925 O THR C 19 -5.053 4.848 -3.214 1.00 0.00 O ATOM 1926 CB THR C 19 -5.556 8.097 -3.398 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.775 9.113 -4.358 1.00 0.00 O ATOM 1928 CG2 THR C 19 -5.079 8.765 -2.111 1.00 0.00 C ATOM 0 H THR C 19 -5.694 5.873 -5.181 1.00 0.00 H new ATOM 0 HA THR C 19 -3.577 7.579 -4.011 1.00 0.00 H new ATOM 0 HB THR C 19 -6.473 7.546 -3.190 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.424 9.759 -4.009 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.831 9.477 -1.771 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.924 8.007 -1.343 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.142 9.289 -2.299 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.587 6.013 -1.957 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.283 4.943 -1.014 1.00 0.00 C ATOM 1938 C ILE C 20 -3.392 5.508 0.397 1.00 0.00 C ATOM 1939 O ILE C 20 -3.130 6.692 0.608 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.856 4.426 -1.275 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.641 3.993 -2.732 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.521 3.262 -0.340 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.461 2.761 -3.117 1.00 0.00 C ATOM 0 H ILE C 20 -3.104 6.886 -1.746 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.980 4.114 -1.132 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.185 5.262 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.904 4.819 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.583 3.783 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.508 2.913 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.590 3.596 0.695 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.226 2.447 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.266 2.505 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.181 1.923 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.522 2.976 -2.989 1.00 0.00 H new ATOM 1955 N THR C 21 -3.777 4.674 1.368 1.00 0.00 N ATOM 1956 CA THR C 21 -3.953 5.100 2.751 1.00 0.00 C ATOM 1957 C THR C 21 -3.419 4.016 3.687 1.00 0.00 C ATOM 1958 O THR C 21 -3.415 2.840 3.339 1.00 0.00 O ATOM 1959 CB THR C 21 -5.443 5.361 3.016 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.977 6.188 2.005 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.642 6.066 4.360 1.00 0.00 C ATOM 0 H THR C 21 -3.974 3.685 1.213 1.00 0.00 H new ATOM 0 HA THR C 21 -3.399 6.021 2.932 1.00 0.00 H new ATOM 0 HB THR C 21 -5.951 4.397 3.028 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.928 6.348 2.181 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.705 6.240 4.526 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.248 5.440 5.161 1.00 0.00 H new ATOM 0 HG23 THR C 21 -5.115 7.020 4.352 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.965 4.417 4.877 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.443 3.496 5.883 1.00 0.00 C ATOM 1971 C ILE C 22 -3.360 3.524 7.103 1.00 0.00 C ATOM 1972 O ILE C 22 -3.171 4.311 8.027 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.963 3.801 6.175 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.385 2.882 7.252 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.731 5.245 6.624 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.504 1.413 6.860 1.00 0.00 C ATOM 0 H ILE C 22 -2.950 5.394 5.169 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.447 2.469 5.519 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.455 3.631 5.226 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.663 3.131 7.419 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.907 3.051 8.194 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.331 5.400 6.815 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -1.062 5.927 5.841 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.296 5.438 7.536 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.083 0.790 7.649 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.554 1.158 6.718 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.040 1.239 5.932 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.367 2.648 7.097 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.401 2.647 8.122 1.00 0.00 C ATOM 1990 C LEU C 23 -4.832 2.278 9.489 1.00 0.00 C ATOM 1991 O LEU C 23 -5.327 2.768 10.503 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.513 1.672 7.719 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.986 1.885 6.276 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.141 0.935 5.981 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.472 3.313 6.043 1.00 0.00 C ATOM 0 H LEU C 23 -4.484 1.927 6.386 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.811 3.654 8.204 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.154 0.649 7.833 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.359 1.790 8.396 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.138 1.693 5.619 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.481 1.083 4.956 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.807 -0.095 6.108 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.963 1.137 6.668 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.798 3.422 5.009 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.306 3.527 6.711 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.659 4.011 6.243 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.804 1.421 9.530 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.136 1.110 10.791 1.00 0.00 C ATOM 2009 C GLY C 24 -2.376 -0.211 10.750 1.00 0.00 C ATOM 2010 O GLY C 24 -2.219 -0.806 9.689 1.00 0.00 O ATOM 0 H GLY C 24 -3.424 0.939 8.715 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.443 1.915 11.037 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.877 1.072 11.589 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.908 -0.666 11.915 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.194 -1.932 12.044 1.00 0.00 C ATOM 2016 C VAL C 25 -1.744 -2.728 13.223 1.00 0.00 C ATOM 2017 O VAL C 25 -2.457 -2.196 14.071 1.00 0.00 O ATOM 2018 CB VAL C 25 0.324 -1.714 12.203 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.852 -0.696 11.189 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.681 -1.234 13.609 1.00 0.00 C ATOM 0 H VAL C 25 -2.016 -0.163 12.796 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.351 -2.499 11.127 1.00 0.00 H new ATOM 0 HB VAL C 25 0.793 -2.682 12.024 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.925 -0.566 11.329 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.659 -1.055 10.178 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.349 0.259 11.337 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.759 -1.092 13.682 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.176 -0.289 13.810 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.363 -1.978 14.339 1.00 0.00 H new ATOM 2030 N SER C 26 -1.402 -4.014 13.259 1.00 0.00 N ATOM 2031 CA SER C 26 -1.755 -4.920 14.341 1.00 0.00 C ATOM 2032 C SER C 26 -0.690 -6.005 14.380 1.00 0.00 C ATOM 2033 O SER C 26 -0.702 -6.917 13.557 1.00 0.00 O ATOM 2034 CB SER C 26 -3.141 -5.513 14.091 1.00 0.00 C ATOM 2035 OG SER C 26 -3.484 -6.401 15.136 1.00 0.00 O ATOM 0 H SER C 26 -0.860 -4.461 12.519 1.00 0.00 H new ATOM 0 HA SER C 26 -1.794 -4.400 15.298 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.880 -4.715 14.024 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.153 -6.040 13.137 1.00 0.00 H new ATOM 0 HG SER C 26 -4.374 -6.775 14.968 1.00 0.00 H new ATOM 2041 N GLY C 27 0.235 -5.912 15.332 1.00 0.00 N ATOM 2042 CA GLY C 27 1.405 -6.771 15.334 1.00 0.00 C ATOM 2043 C GLY C 27 2.197 -6.512 14.057 1.00 0.00 C ATOM 2044 O GLY C 27 2.773 -5.435 13.903 1.00 0.00 O ATOM 0 H GLY C 27 0.193 -5.251 16.108 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.022 -6.569 16.210 1.00 0.00 H new ATOM 0 HA3 GLY C 27 1.106 -7.818 15.389 1.00 0.00 H new ATOM 2048 N GLN C 28 2.221 -7.490 13.150 1.00 0.00 N ATOM 2049 CA GLN C 28 2.910 -7.369 11.874 1.00 0.00 C ATOM 2050 C GLN C 28 1.915 -7.250 10.723 1.00 0.00 C ATOM 2051 O GLN C 28 2.324 -7.147 9.567 1.00 0.00 O ATOM 2052 CB GLN C 28 3.847 -8.565 11.687 1.00 0.00 C ATOM 2053 CG GLN C 28 5.269 -8.216 12.133 1.00 0.00 C ATOM 2054 CD GLN C 28 5.289 -7.501 13.479 1.00 0.00 C ATOM 2055 OE1 GLN C 28 5.099 -8.112 14.525 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.520 -6.190 13.452 1.00 0.00 N ATOM 0 H GLN C 28 1.760 -8.390 13.285 1.00 0.00 H new ATOM 0 HA GLN C 28 3.506 -6.456 11.873 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.479 -9.415 12.262 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.853 -8.868 10.640 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.862 -9.128 12.199 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.740 -7.584 11.380 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.673 -5.717 12.561 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.544 -5.658 14.322 1.00 0.00 H new ATOM 2065 N GLN C 29 0.615 -7.264 11.021 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.410 -7.017 10.021 1.00 0.00 C ATOM 2067 C GLN C 29 -0.523 -5.517 9.804 1.00 0.00 C ATOM 2068 O GLN C 29 -0.164 -4.727 10.679 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.758 -7.559 10.495 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.740 -9.087 10.504 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.929 -9.668 11.243 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.055 -8.961 11.243 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.825 -10.751 11.805 1.00 0.00 N flip ATOM 0 H GLN C 29 0.251 -7.446 11.956 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.138 -7.519 9.092 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.977 -7.185 11.495 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.552 -7.201 9.840 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.737 -9.455 9.478 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.819 -9.435 10.971 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -1.940 -11.257 11.777 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.624 -11.147 12.301 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.030 -5.123 8.638 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.193 -3.726 8.295 1.00 0.00 C ATOM 2084 C VAL C 30 -2.483 -3.578 7.500 1.00 0.00 C ATOM 2085 O VAL C 30 -2.618 -4.192 6.443 1.00 0.00 O ATOM 2086 CB VAL C 30 -0.001 -3.268 7.448 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.135 -1.778 7.160 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.329 -3.495 8.167 1.00 0.00 C ATOM 0 H VAL C 30 -1.337 -5.768 7.910 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.239 -3.114 9.196 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.005 -3.853 6.528 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.711 -1.446 6.557 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.062 -1.594 6.617 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.150 -1.226 8.100 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.148 -3.157 7.532 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.338 -2.933 9.101 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.450 -4.557 8.381 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.425 -2.770 7.993 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.595 -2.419 7.204 1.00 0.00 C ATOM 2100 C ARG C 31 -4.186 -1.311 6.252 1.00 0.00 C ATOM 2101 O ARG C 31 -3.777 -0.232 6.691 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.756 -1.939 8.072 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.525 -3.100 8.699 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.948 -2.647 9.041 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.972 -1.552 10.016 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.081 -0.876 10.332 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.244 -1.182 9.760 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -9.033 0.109 11.222 1.00 0.00 N ATOM 0 H ARG C 31 -3.397 -2.354 8.924 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.941 -3.305 6.671 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.374 -1.290 8.860 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.436 -1.339 7.467 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.557 -3.943 8.009 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.015 -3.443 9.599 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.453 -2.328 8.129 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.510 -3.493 9.437 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.099 -1.293 10.476 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.293 -1.937 9.076 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.086 -0.662 10.006 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.148 0.352 11.667 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.881 0.623 11.461 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.305 -1.590 4.955 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.964 -0.647 3.907 1.00 0.00 C ATOM 2124 C ILE C 32 -5.228 -0.373 3.103 1.00 0.00 C ATOM 2125 O ILE C 32 -6.017 -1.288 2.864 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.868 -1.239 3.011 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.751 -1.868 3.863 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.323 -0.141 2.095 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.580 -2.366 3.019 1.00 0.00 C ATOM 0 H ILE C 32 -4.644 -2.486 4.606 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.583 0.283 4.330 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.288 -2.034 2.395 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.389 -1.133 4.582 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.161 -2.700 4.436 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.543 -0.555 1.455 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.130 0.251 1.476 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.906 0.664 2.700 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.179 -2.800 3.670 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.933 -3.123 2.318 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.149 -1.531 2.466 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.421 0.877 2.685 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.587 1.279 1.919 1.00 0.00 C ATOM 2143 C GLY C 33 -6.138 1.771 0.553 1.00 0.00 C ATOM 2144 O GLY C 33 -5.036 2.301 0.416 1.00 0.00 O ATOM 0 H GLY C 33 -4.768 1.638 2.872 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.273 0.439 1.810 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.128 2.067 2.443 1.00 0.00 H new ATOM 2148 N ILE C 34 -6.990 1.598 -0.457 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.690 2.034 -1.807 1.00 0.00 C ATOM 2150 C ILE C 34 -7.938 2.684 -2.378 1.00 0.00 C ATOM 2151 O ILE C 34 -9.055 2.261 -2.079 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.232 0.837 -2.657 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.012 0.172 -1.996 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.901 1.315 -4.076 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.565 -1.094 -2.721 1.00 0.00 C ATOM 0 H ILE C 34 -7.902 1.153 -0.356 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.876 2.759 -1.810 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.031 0.098 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.186 0.882 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.253 -0.073 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.576 0.467 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.788 1.762 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.103 2.057 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.701 -1.520 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.379 -1.819 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.295 -0.849 -3.748 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.747 3.714 -3.198 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.848 4.455 -3.777 1.00 0.00 C ATOM 2169 C ASN C 35 -8.555 4.693 -5.253 1.00 0.00 C ATOM 2170 O ASN C 35 -7.723 5.524 -5.610 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.025 5.763 -3.004 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.311 6.484 -3.374 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -11.021 6.092 -4.295 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.624 7.552 -2.647 1.00 0.00 N ATOM 0 H ASN C 35 -6.825 4.052 -3.475 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.782 3.898 -3.706 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.024 5.553 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.175 6.417 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.477 8.073 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.011 7.850 -1.888 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.257 3.946 -6.103 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.093 4.000 -7.542 1.00 0.00 C ATOM 2183 C ALA C 36 -10.441 3.757 -8.221 1.00 0.00 C ATOM 2184 O ALA C 36 -11.320 3.133 -7.620 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.086 2.913 -7.939 1.00 0.00 C ATOM 0 H ALA C 36 -9.965 3.278 -5.800 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.727 4.978 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.941 2.928 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.134 3.100 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.467 1.937 -7.638 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.623 4.233 -9.460 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.832 3.992 -10.229 1.00 0.00 C ATOM 2193 C PRO C 37 -11.887 2.537 -10.678 1.00 0.00 C ATOM 2194 O PRO C 37 -10.851 1.903 -10.867 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.727 4.923 -11.439 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.221 5.099 -11.630 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.679 5.039 -10.209 1.00 0.00 C ATOM 0 HA PRO C 37 -12.735 4.181 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.194 4.487 -12.322 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.222 5.877 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.800 4.311 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.985 6.048 -12.111 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.684 4.595 -10.189 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.592 6.038 -9.781 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.098 1.994 -10.858 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.268 0.641 -11.378 1.00 0.00 C ATOM 2207 C LYS C 38 -12.753 0.547 -12.814 1.00 0.00 C ATOM 2208 O LYS C 38 -12.773 -0.528 -13.410 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.739 0.218 -11.281 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.192 0.068 -9.823 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.539 -1.103 -9.075 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.190 -2.456 -9.381 1.00 0.00 C ATOM 2213 NZ LYS C 38 -14.854 -2.964 -10.725 1.00 0.00 N ATOM 0 H LYS C 38 -13.972 2.476 -10.649 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.678 -0.047 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.364 0.957 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.881 -0.727 -11.805 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.972 0.993 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.274 -0.062 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.482 -1.149 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.593 -0.916 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.873 -3.183 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.272 -2.361 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -14.690 -3.990 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -15.641 -2.769 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -13.994 -2.492 -11.070 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.297 1.676 -13.363 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.651 1.745 -14.666 1.00 0.00 C ATOM 2229 C ASP C 39 -10.281 1.061 -14.628 1.00 0.00 C ATOM 2230 O ASP C 39 -9.677 0.833 -15.675 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.495 3.214 -15.051 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.074 3.380 -16.510 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.824 2.892 -17.387 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -10.008 3.994 -16.739 1.00 0.00 O ATOM 0 H ASP C 39 -12.370 2.582 -12.901 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.263 1.227 -15.405 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.438 3.735 -14.884 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.753 3.682 -14.404 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.794 0.738 -13.423 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.511 0.075 -13.222 1.00 0.00 C ATOM 2241 C VAL C 40 -8.662 -0.994 -12.144 1.00 0.00 C ATOM 2242 O VAL C 40 -9.602 -0.961 -11.352 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.417 1.082 -12.838 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.330 2.213 -13.865 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.654 1.700 -11.462 1.00 0.00 C ATOM 0 H VAL C 40 -10.290 0.935 -12.554 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.206 -0.393 -14.158 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.483 0.520 -12.815 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.548 2.913 -13.570 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.095 1.797 -14.845 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.285 2.736 -13.913 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.854 2.405 -11.237 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.610 2.223 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.668 0.914 -10.707 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.730 -1.949 -12.112 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.805 -3.073 -11.195 1.00 0.00 C ATOM 2257 C ALA C 41 -6.918 -2.859 -9.973 1.00 0.00 C ATOM 2258 O ALA C 41 -5.948 -2.103 -10.025 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.370 -4.329 -11.954 1.00 0.00 C ATOM 0 H ALA C 41 -6.910 -1.960 -12.719 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.827 -3.177 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.417 -5.191 -11.288 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.035 -4.490 -12.803 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.348 -4.202 -12.312 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.248 -3.531 -8.867 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.411 -3.562 -7.674 1.00 0.00 C ATOM 2267 C VAL C 42 -6.693 -4.846 -6.903 1.00 0.00 C ATOM 2268 O VAL C 42 -7.853 -5.199 -6.710 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.673 -2.312 -6.820 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.159 -2.055 -6.590 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -5.995 -2.415 -5.459 1.00 0.00 C ATOM 0 H VAL C 42 -8.109 -4.071 -8.778 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.357 -3.553 -7.950 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.255 -1.481 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.283 -1.160 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.656 -1.913 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.600 -2.908 -6.075 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.201 -1.514 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.380 -3.284 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -4.919 -2.520 -5.596 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.647 -5.549 -6.462 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.807 -6.814 -5.754 1.00 0.00 C ATOM 2283 C HIS C 43 -4.585 -7.136 -4.914 1.00 0.00 C ATOM 2284 O HIS C 43 -3.570 -6.450 -4.991 1.00 0.00 O ATOM 2285 CB HIS C 43 -5.933 -7.972 -6.745 1.00 0.00 C ATOM 2286 CG HIS C 43 -6.910 -7.755 -7.861 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.286 -7.982 -7.792 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.577 -7.306 -9.106 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -8.751 -7.653 -9.007 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -7.753 -7.249 -9.815 1.00 0.00 N ATOM 0 H HIS C 43 -4.677 -5.259 -6.585 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.697 -6.705 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -4.951 -8.168 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.225 -8.868 -6.197 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.821 -8.323 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.590 -7.048 -9.462 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.790 -7.705 -9.298 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.679 -8.197 -4.110 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.509 -8.758 -3.453 1.00 0.00 C ATOM 2300 C ARG C 44 -2.671 -9.469 -4.510 1.00 0.00 C ATOM 2301 O ARG C 44 -3.173 -9.815 -5.576 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.959 -9.745 -2.380 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.609 -8.984 -1.225 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.352 -9.941 -0.302 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.586 -10.414 -0.940 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.032 -11.673 -0.929 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.316 -12.657 -0.390 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.214 -11.949 -1.469 1.00 0.00 N ATOM 0 H ARG C 44 -5.553 -8.680 -3.902 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.918 -7.975 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.666 -10.459 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.105 -10.318 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -3.846 -8.446 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.301 -8.238 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.713 -10.790 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.589 -9.440 0.637 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.151 -9.723 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.406 -12.457 0.026 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.677 -13.611 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.771 -11.203 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.565 -12.907 -1.466 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.393 -9.697 -4.221 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.499 -10.351 -5.170 1.00 0.00 C ATOM 2324 C GLU C 45 -0.953 -11.797 -5.398 1.00 0.00 C ATOM 2325 O GLU C 45 -0.730 -12.367 -6.464 1.00 0.00 O ATOM 2326 CB GLU C 45 0.922 -10.275 -4.600 1.00 0.00 C ATOM 2327 CG GLU C 45 1.996 -10.400 -5.683 1.00 0.00 C ATOM 2328 CD GLU C 45 2.146 -11.816 -6.227 1.00 0.00 C ATOM 2329 OE1 GLU C 45 2.239 -12.751 -5.400 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.167 -11.951 -7.470 1.00 0.00 O ATOM 0 H GLU C 45 -0.954 -9.438 -3.337 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.519 -9.856 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.049 -9.328 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU C 45 1.058 -11.068 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.752 -9.727 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.952 -10.072 -5.275 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.601 -12.387 -4.386 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.109 -13.757 -4.431 1.00 0.00 C ATOM 2339 C GLU C 46 -3.413 -13.865 -5.233 1.00 0.00 C ATOM 2340 O GLU C 46 -3.868 -14.974 -5.509 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.319 -14.260 -2.997 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.495 -13.542 -2.333 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.537 -13.769 -0.825 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -3.818 -14.915 -0.415 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -3.289 -12.783 -0.095 1.00 0.00 O ATOM 0 H GLU C 46 -1.788 -11.916 -3.501 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.373 -14.378 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.503 -15.334 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.412 -14.097 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.426 -12.473 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.428 -13.891 -2.777 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.007 -12.726 -5.598 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.251 -12.669 -6.361 1.00 0.00 C ATOM 2354 C ILE C 47 -4.980 -12.127 -7.756 1.00 0.00 C ATOM 2355 O ILE C 47 -5.620 -12.558 -8.711 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.252 -11.790 -5.605 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.718 -12.463 -4.308 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.464 -11.465 -6.478 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.306 -13.857 -4.526 1.00 0.00 C ATOM 0 H ILE C 47 -3.630 -11.807 -5.368 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.673 -13.668 -6.472 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.738 -10.863 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.874 -12.536 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.466 -11.832 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.159 -10.840 -5.917 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.137 -10.933 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -7.962 -12.390 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.615 -14.275 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.169 -13.788 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.553 -14.503 -4.978 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.041 -11.192 -7.893 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.725 -10.609 -9.186 1.00 0.00 C ATOM 2373 C TYR C 48 -3.378 -11.685 -10.213 1.00 0.00 C ATOM 2374 O TYR C 48 -3.761 -11.579 -11.376 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.551 -9.650 -9.016 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.929 -9.253 -10.333 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.726 -8.749 -11.371 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.549 -9.402 -10.507 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.141 -8.409 -12.602 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.046 -9.055 -11.725 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.748 -8.553 -12.780 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.164 -8.217 -13.967 1.00 0.00 O ATOM 0 H TYR C 48 -3.487 -10.824 -7.119 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.600 -10.074 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.891 -8.755 -8.495 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.793 -10.117 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.788 -8.622 -11.224 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.058 -9.785 -9.700 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.755 -8.039 -13.410 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.111 -9.171 -11.858 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.810 -7.734 -14.524 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.654 -12.724 -9.789 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.254 -13.795 -10.687 1.00 0.00 C ATOM 2394 C GLN C 49 -3.466 -14.534 -11.244 1.00 0.00 C ATOM 2395 O GLN C 49 -3.372 -15.177 -12.286 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.370 -14.785 -9.930 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.086 -14.121 -9.433 1.00 0.00 C ATOM 2398 CD GLN C 49 0.767 -15.099 -8.633 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.687 -16.310 -8.817 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.595 -14.580 -7.734 1.00 0.00 N ATOM 0 H GLN C 49 -2.336 -12.841 -8.827 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.707 -13.354 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.921 -15.193 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.120 -15.623 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.485 -13.747 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.335 -13.260 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN C 49 1.639 -13.569 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN C 49 2.187 -15.192 -7.173 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.609 -14.448 -10.548 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.814 -15.166 -10.931 1.00 0.00 C ATOM 2411 C ARG C 50 -6.648 -14.372 -11.935 1.00 0.00 C ATOM 2412 O ARG C 50 -7.327 -14.976 -12.768 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.608 -15.462 -9.662 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.811 -16.341 -9.972 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.547 -16.623 -8.666 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.829 -17.612 -7.855 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.968 -17.744 -6.530 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.798 -16.960 -5.848 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.267 -18.670 -5.889 1.00 0.00 N ATOM 0 H ARG C 50 -4.715 -13.879 -9.708 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.544 -16.097 -11.429 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.967 -15.958 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.941 -14.528 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.473 -15.843 -10.681 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.490 -17.274 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.658 -15.697 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.551 -16.987 -8.883 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.182 -18.240 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.340 -16.246 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.893 -17.073 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.628 -19.275 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.367 -18.777 -4.880 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.604 -13.040 -11.873 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.271 -12.206 -12.866 1.00 0.00 C ATOM 2435 C ILE C 51 -6.620 -12.438 -14.234 1.00 0.00 C ATOM 2436 O ILE C 51 -7.201 -12.129 -15.273 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.255 -10.721 -12.458 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.216 -10.440 -11.292 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.747 -9.825 -13.598 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -7.722 -10.995 -9.962 1.00 0.00 C ATOM 0 H ILE C 51 -6.114 -12.519 -11.146 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.322 -12.490 -12.929 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.221 -10.509 -12.187 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.359 -9.363 -11.199 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.190 -10.873 -11.520 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -7.724 -8.783 -13.278 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.100 -9.953 -14.466 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.768 -10.100 -13.863 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.445 -10.763 -9.180 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.605 -12.076 -10.040 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -6.762 -10.543 -9.713 1.00 0.00 H new