USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 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: B 13 ASN : amide:sc= 0.166 K(o=0.17,f=1.1) USER MOD Set 1.2: B 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 11 SER OG : rot 180:sc= 0.194 USER MOD Set 2.2: B 21 THR OG1 : rot -69:sc= 0.206 USER MOD Set 3.1: A 11 SER OG : rot -109:sc= 0.568 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.509 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.126 K(o=0.13,f=0.98) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.0622 (180deg=-0.0713) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0242 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0.237 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.45) USER MOD Single : A 29 GLN : amide:sc= -1.25 K(o=-1.2,f=-4!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.27) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -175:sc= -0.216 (180deg=-0.265) USER MOD Single : B 1 MET N :NH3+ 129:sc= 0.0336 (180deg=0) USER MOD Single : B 5 THR OG1 : rot -15:sc= 0.454 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.29) USER MOD Single : B 29 GLN : amide:sc= -1.55! C(o=-1.6!,f=-4.6!) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 HIS : no HD1:sc= -0.852 K(o=-0.85,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.081 -2.063 -6.797 1.00 0.00 N ATOM 2 CA MET A 1 22.926 -1.348 -7.372 1.00 0.00 C ATOM 3 C MET A 1 23.397 -0.301 -8.369 1.00 0.00 C ATOM 4 O MET A 1 24.391 0.371 -8.113 1.00 0.00 O ATOM 5 CB MET A 1 22.100 -0.694 -6.260 1.00 0.00 C ATOM 6 CG MET A 1 20.875 0.016 -6.829 1.00 0.00 C ATOM 7 SD MET A 1 19.541 0.278 -5.632 1.00 0.00 S ATOM 8 CE MET A 1 20.402 1.309 -4.418 1.00 0.00 C ATOM 0 H1 MET A 1 23.913 -2.237 -5.785 1.00 0.00 H new ATOM 0 H2 MET A 1 24.207 -2.971 -7.288 1.00 0.00 H new ATOM 0 H3 MET A 1 24.939 -1.486 -6.911 1.00 0.00 H new ATOM 0 HA MET A 1 22.296 -2.066 -7.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.784 -1.452 -5.544 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.718 0.020 -5.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.183 0.982 -7.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.488 -0.567 -7.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.730 1.533 -3.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.276 0.776 -4.043 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.719 2.239 -4.890 1.00 0.00 H new ATOM 20 N LEU A 2 22.693 -0.160 -9.497 1.00 0.00 N ATOM 21 CA LEU A 2 23.030 0.849 -10.490 1.00 0.00 C ATOM 22 C LEU A 2 22.076 2.034 -10.344 1.00 0.00 C ATOM 23 O LEU A 2 20.969 2.022 -10.879 1.00 0.00 O ATOM 24 CB LEU A 2 22.963 0.255 -11.905 1.00 0.00 C ATOM 25 CG LEU A 2 24.027 0.825 -12.854 1.00 0.00 C ATOM 26 CD1 LEU A 2 23.568 0.708 -14.301 1.00 0.00 C ATOM 27 CD2 LEU A 2 24.394 2.281 -12.603 1.00 0.00 C ATOM 0 H LEU A 2 21.887 -0.736 -9.739 1.00 0.00 H new ATOM 0 HA LEU A 2 24.051 1.195 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 2 23.083 -0.827 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 2 21.974 0.443 -12.324 1.00 0.00 H new ATOM 0 HG LEU A 2 24.916 0.225 -12.657 1.00 0.00 H new ATOM 0 HD11 LEU A 2 24.334 1.117 -14.960 1.00 0.00 H new ATOM 0 HD12 LEU A 2 23.401 -0.341 -14.546 1.00 0.00 H new ATOM 0 HD13 LEU A 2 22.640 1.264 -14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 2 25.152 2.594 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 2 23.507 2.904 -12.716 1.00 0.00 H new ATOM 0 HD23 LEU A 2 24.786 2.388 -11.592 1.00 0.00 H new ATOM 39 N ILE A 3 22.507 3.064 -9.616 1.00 0.00 N ATOM 40 CA ILE A 3 21.703 4.258 -9.419 1.00 0.00 C ATOM 41 C ILE A 3 21.847 5.150 -10.648 1.00 0.00 C ATOM 42 O ILE A 3 22.939 5.290 -11.195 1.00 0.00 O ATOM 43 CB ILE A 3 22.149 4.995 -8.148 1.00 0.00 C ATOM 44 CG1 ILE A 3 21.921 4.148 -6.888 1.00 0.00 C ATOM 45 CG2 ILE A 3 21.337 6.281 -7.994 1.00 0.00 C ATOM 46 CD1 ILE A 3 23.063 3.186 -6.602 1.00 0.00 C ATOM 0 H ILE A 3 23.415 3.090 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 3 20.655 3.987 -9.292 1.00 0.00 H new ATOM 0 HB ILE A 3 23.214 5.204 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 3 21.788 4.809 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.996 3.582 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.653 6.805 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.501 6.921 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 3 20.278 6.036 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.842 2.617 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 3 23.182 2.502 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.986 3.749 -6.459 1.00 0.00 H new ATOM 58 N LEU A 4 20.740 5.756 -11.080 1.00 0.00 N ATOM 59 CA LEU A 4 20.711 6.679 -12.203 1.00 0.00 C ATOM 60 C LEU A 4 19.731 7.806 -11.876 1.00 0.00 C ATOM 61 O LEU A 4 18.893 7.654 -10.989 1.00 0.00 O ATOM 62 CB LEU A 4 20.252 5.939 -13.466 1.00 0.00 C ATOM 63 CG LEU A 4 21.240 4.867 -13.939 1.00 0.00 C ATOM 64 CD1 LEU A 4 20.584 4.021 -15.026 1.00 0.00 C ATOM 65 CD2 LEU A 4 22.495 5.494 -14.541 1.00 0.00 C ATOM 0 H LEU A 4 19.827 5.613 -10.649 1.00 0.00 H new ATOM 0 HA LEU A 4 21.705 7.090 -12.379 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.286 5.472 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.102 6.663 -14.267 1.00 0.00 H new ATOM 0 HG LEU A 4 21.514 4.264 -13.073 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.284 3.257 -15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.691 3.542 -14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.308 4.658 -15.866 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.175 4.707 -14.866 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.219 6.111 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 4 22.988 6.112 -13.791 1.00 0.00 H new ATOM 77 N THR A 5 19.828 8.933 -12.586 1.00 0.00 N ATOM 78 CA THR A 5 18.913 10.051 -12.386 1.00 0.00 C ATOM 79 C THR A 5 18.311 10.462 -13.722 1.00 0.00 C ATOM 80 O THR A 5 18.846 11.321 -14.421 1.00 0.00 O ATOM 81 CB THR A 5 19.620 11.215 -11.681 1.00 0.00 C ATOM 82 OG1 THR A 5 20.167 10.774 -10.457 1.00 0.00 O ATOM 83 CG2 THR A 5 18.632 12.337 -11.373 1.00 0.00 C ATOM 0 H THR A 5 20.534 9.092 -13.305 1.00 0.00 H new ATOM 0 HA THR A 5 18.097 9.742 -11.732 1.00 0.00 H new ATOM 0 HB THR A 5 20.404 11.581 -12.344 1.00 0.00 H new ATOM 0 HG1 THR A 5 21.049 11.182 -10.327 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.153 13.153 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.194 12.701 -12.302 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.843 11.959 -10.724 1.00 0.00 H new ATOM 91 N ARG A 6 17.185 9.835 -14.075 1.00 0.00 N ATOM 92 CA ARG A 6 16.473 10.085 -15.321 1.00 0.00 C ATOM 93 C ARG A 6 15.648 11.361 -15.224 1.00 0.00 C ATOM 94 O ARG A 6 15.600 11.995 -14.173 1.00 0.00 O ATOM 95 CB ARG A 6 15.555 8.891 -15.609 1.00 0.00 C ATOM 96 CG ARG A 6 16.364 7.661 -16.032 1.00 0.00 C ATOM 97 CD ARG A 6 16.577 7.620 -17.546 1.00 0.00 C ATOM 98 NE ARG A 6 17.182 8.850 -18.066 1.00 0.00 N ATOM 99 CZ ARG A 6 18.487 9.120 -18.125 1.00 0.00 C ATOM 100 NH1 ARG A 6 19.395 8.262 -17.660 1.00 0.00 N ATOM 101 NH2 ARG A 6 18.879 10.270 -18.661 1.00 0.00 N ATOM 0 H ARG A 6 16.739 9.129 -13.490 1.00 0.00 H new ATOM 0 HA ARG A 6 17.194 10.209 -16.129 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.969 8.656 -14.720 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.848 9.153 -16.396 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.331 7.670 -15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.846 6.757 -15.712 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.215 6.772 -17.796 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.619 7.455 -18.039 1.00 0.00 H new ATOM 0 HE ARG A 6 16.545 9.566 -18.415 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.097 7.378 -17.248 1.00 0.00 H new ATOM 0 HH12 ARG A 6 20.388 8.490 -17.716 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.187 10.928 -19.018 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.872 10.495 -18.715 1.00 0.00 H new ATOM 115 N LYS A 7 14.997 11.733 -16.329 1.00 0.00 N ATOM 116 CA LYS A 7 14.106 12.882 -16.369 1.00 0.00 C ATOM 117 C LYS A 7 12.732 12.441 -16.857 1.00 0.00 C ATOM 118 O LYS A 7 12.605 11.397 -17.494 1.00 0.00 O ATOM 119 CB LYS A 7 14.697 13.977 -17.263 1.00 0.00 C ATOM 120 CG LYS A 7 16.172 14.229 -16.929 1.00 0.00 C ATOM 121 CD LYS A 7 16.642 15.562 -17.513 1.00 0.00 C ATOM 122 CE LYS A 7 18.166 15.653 -17.449 1.00 0.00 C ATOM 123 NZ LYS A 7 18.648 16.960 -17.935 1.00 0.00 N ATOM 0 H LYS A 7 15.077 11.242 -17.219 1.00 0.00 H new ATOM 0 HA LYS A 7 13.996 13.299 -15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.603 13.686 -18.309 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.130 14.899 -17.136 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.309 14.232 -15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.783 13.418 -17.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.307 15.654 -18.546 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.197 16.388 -16.959 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.498 15.500 -16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.605 14.856 -18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.686 16.990 -17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.351 17.094 -18.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.247 17.718 -17.347 1.00 0.00 H new ATOM 137 N VAL A 8 11.701 13.233 -16.561 1.00 0.00 N ATOM 138 CA VAL A 8 10.329 12.924 -16.946 1.00 0.00 C ATOM 139 C VAL A 8 10.235 12.746 -18.460 1.00 0.00 C ATOM 140 O VAL A 8 10.490 13.683 -19.216 1.00 0.00 O ATOM 141 CB VAL A 8 9.402 14.041 -16.459 1.00 0.00 C ATOM 142 CG1 VAL A 8 7.975 13.813 -16.953 1.00 0.00 C ATOM 143 CG2 VAL A 8 9.398 14.066 -14.929 1.00 0.00 C ATOM 0 H VAL A 8 11.797 14.108 -16.046 1.00 0.00 H new ATOM 0 HA VAL A 8 10.018 11.988 -16.482 1.00 0.00 H new ATOM 0 HB VAL A 8 9.767 14.990 -16.853 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.333 14.618 -16.595 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.965 13.798 -18.043 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.607 12.860 -16.574 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.739 14.861 -14.580 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.043 13.107 -14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.409 14.248 -14.565 1.00 0.00 H new ATOM 153 N GLY A 9 9.867 11.537 -18.896 1.00 0.00 N ATOM 154 CA GLY A 9 9.695 11.202 -20.303 1.00 0.00 C ATOM 155 C GLY A 9 10.813 10.308 -20.836 1.00 0.00 C ATOM 156 O GLY A 9 10.722 9.824 -21.963 1.00 0.00 O ATOM 0 H GLY A 9 9.679 10.756 -18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.737 10.699 -20.438 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.659 12.120 -20.889 1.00 0.00 H new ATOM 160 N GLU A 10 11.866 10.081 -20.044 1.00 0.00 N ATOM 161 CA GLU A 10 12.974 9.217 -20.435 1.00 0.00 C ATOM 162 C GLU A 10 12.729 7.786 -19.948 1.00 0.00 C ATOM 163 O GLU A 10 11.698 7.507 -19.338 1.00 0.00 O ATOM 164 CB GLU A 10 14.281 9.773 -19.869 1.00 0.00 C ATOM 165 CG GLU A 10 14.510 11.208 -20.350 1.00 0.00 C ATOM 166 CD GLU A 10 15.898 11.707 -19.960 1.00 0.00 C ATOM 167 OE1 GLU A 10 16.352 11.334 -18.856 1.00 0.00 O ATOM 168 OE2 GLU A 10 16.493 12.456 -20.766 1.00 0.00 O ATOM 0 H GLU A 10 11.970 10.492 -19.116 1.00 0.00 H new ATOM 0 HA GLU A 10 13.048 9.192 -21.522 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.251 9.749 -18.780 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.115 9.143 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.396 11.254 -21.433 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.752 11.863 -19.921 1.00 0.00 H new ATOM 175 N SER A 11 13.670 6.871 -20.213 1.00 0.00 N ATOM 176 CA SER A 11 13.520 5.476 -19.813 1.00 0.00 C ATOM 177 C SER A 11 14.846 4.821 -19.428 1.00 0.00 C ATOM 178 O SER A 11 15.920 5.393 -19.603 1.00 0.00 O ATOM 179 CB SER A 11 12.905 4.679 -20.967 1.00 0.00 C ATOM 180 OG SER A 11 11.635 5.188 -21.312 1.00 0.00 O ATOM 0 H SER A 11 14.541 7.077 -20.703 1.00 0.00 H new ATOM 0 HA SER A 11 12.875 5.468 -18.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.565 4.719 -21.834 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.816 3.631 -20.683 1.00 0.00 H new ATOM 0 HG SER A 11 10.942 4.555 -21.030 1.00 0.00 H new ATOM 186 N ILE A 12 14.736 3.601 -18.895 1.00 0.00 N ATOM 187 CA ILE A 12 15.839 2.706 -18.566 1.00 0.00 C ATOM 188 C ILE A 12 15.602 1.408 -19.339 1.00 0.00 C ATOM 189 O ILE A 12 14.491 1.177 -19.812 1.00 0.00 O ATOM 190 CB ILE A 12 15.847 2.446 -17.050 1.00 0.00 C ATOM 191 CG1 ILE A 12 16.017 3.736 -16.238 1.00 0.00 C ATOM 192 CG2 ILE A 12 16.924 1.439 -16.634 1.00 0.00 C ATOM 193 CD1 ILE A 12 17.377 4.385 -16.481 1.00 0.00 C ATOM 0 H ILE A 12 13.828 3.194 -18.672 1.00 0.00 H new ATOM 0 HA ILE A 12 16.803 3.136 -18.837 1.00 0.00 H new ATOM 0 HB ILE A 12 14.869 2.019 -16.827 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.227 4.439 -16.503 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.905 3.515 -15.177 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.887 1.291 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.747 0.488 -17.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.906 1.820 -16.914 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.457 5.296 -15.887 1.00 0.00 H new ATOM 0 HD12 ILE A 12 18.167 3.693 -16.192 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.479 4.631 -17.538 1.00 0.00 H new ATOM 205 N ASN A 13 16.625 0.559 -19.473 1.00 0.00 N ATOM 206 CA ASN A 13 16.488 -0.723 -20.146 1.00 0.00 C ATOM 207 C ASN A 13 17.138 -1.822 -19.318 1.00 0.00 C ATOM 208 O ASN A 13 18.227 -1.636 -18.778 1.00 0.00 O ATOM 209 CB ASN A 13 17.110 -0.644 -21.540 1.00 0.00 C ATOM 210 CG ASN A 13 16.251 0.190 -22.477 1.00 0.00 C ATOM 211 OD1 ASN A 13 16.657 1.259 -22.925 1.00 0.00 O ATOM 212 ND2 ASN A 13 15.051 -0.300 -22.776 1.00 0.00 N ATOM 0 H ASN A 13 17.563 0.745 -19.118 1.00 0.00 H new ATOM 0 HA ASN A 13 15.430 -0.963 -20.254 1.00 0.00 H new ATOM 0 HB2 ASN A 13 18.107 -0.209 -21.472 1.00 0.00 H new ATOM 0 HB3 ASN A 13 17.227 -1.648 -21.947 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.430 0.216 -23.399 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.752 -1.192 -22.382 1.00 0.00 H new ATOM 219 N ILE A 14 16.457 -2.968 -19.225 1.00 0.00 N ATOM 220 CA ILE A 14 16.893 -4.104 -18.425 1.00 0.00 C ATOM 221 C ILE A 14 16.743 -5.383 -19.244 1.00 0.00 C ATOM 222 O ILE A 14 15.799 -5.513 -20.021 1.00 0.00 O ATOM 223 CB ILE A 14 16.033 -4.209 -17.153 1.00 0.00 C ATOM 224 CG1 ILE A 14 15.930 -2.894 -16.370 1.00 0.00 C ATOM 225 CG2 ILE A 14 16.561 -5.324 -16.246 1.00 0.00 C ATOM 226 CD1 ILE A 14 17.257 -2.471 -15.749 1.00 0.00 C ATOM 0 H ILE A 14 15.576 -3.130 -19.712 1.00 0.00 H new ATOM 0 HA ILE A 14 17.937 -3.966 -18.142 1.00 0.00 H new ATOM 0 HB ILE A 14 15.023 -4.447 -17.487 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.578 -2.106 -17.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.184 -3.003 -15.583 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.943 -5.387 -15.350 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.525 -6.274 -16.779 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.591 -5.105 -15.962 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.123 -1.534 -15.208 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.599 -3.243 -15.059 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.999 -2.333 -16.535 1.00 0.00 H new ATOM 238 N GLY A 15 17.671 -6.329 -19.073 1.00 0.00 N ATOM 239 CA GLY A 15 17.599 -7.642 -19.703 1.00 0.00 C ATOM 240 C GLY A 15 17.495 -7.595 -21.230 1.00 0.00 C ATOM 241 O GLY A 15 17.226 -8.622 -21.848 1.00 0.00 O ATOM 0 H GLY A 15 18.497 -6.200 -18.489 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.484 -8.215 -19.427 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.736 -8.177 -19.307 1.00 0.00 H new ATOM 245 N ASP A 16 17.704 -6.419 -21.836 1.00 0.00 N ATOM 246 CA ASP A 16 17.586 -6.187 -23.272 1.00 0.00 C ATOM 247 C ASP A 16 16.178 -6.455 -23.823 1.00 0.00 C ATOM 248 O ASP A 16 15.988 -6.429 -25.039 1.00 0.00 O ATOM 249 CB ASP A 16 18.659 -6.978 -24.028 1.00 0.00 C ATOM 250 CG ASP A 16 20.059 -6.660 -23.510 1.00 0.00 C ATOM 251 OD1 ASP A 16 20.488 -5.498 -23.684 1.00 0.00 O ATOM 252 OD2 ASP A 16 20.690 -7.581 -22.943 1.00 0.00 O ATOM 0 H ASP A 16 17.968 -5.580 -21.320 1.00 0.00 H new ATOM 0 HA ASP A 16 17.756 -5.123 -23.437 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.466 -8.046 -23.924 1.00 0.00 H new ATOM 0 HB3 ASP A 16 18.602 -6.745 -25.091 1.00 0.00 H new ATOM 257 N ASP A 17 15.192 -6.713 -22.955 1.00 0.00 N ATOM 258 CA ASP A 17 13.810 -6.957 -23.365 1.00 0.00 C ATOM 259 C ASP A 17 12.819 -6.130 -22.549 1.00 0.00 C ATOM 260 O ASP A 17 11.613 -6.216 -22.779 1.00 0.00 O ATOM 261 CB ASP A 17 13.457 -8.440 -23.214 1.00 0.00 C ATOM 262 CG ASP A 17 14.348 -9.347 -24.061 1.00 0.00 C ATOM 263 OD1 ASP A 17 14.341 -9.169 -25.300 1.00 0.00 O ATOM 264 OD2 ASP A 17 15.029 -10.210 -23.465 1.00 0.00 O ATOM 0 H ASP A 17 15.334 -6.758 -21.946 1.00 0.00 H new ATOM 0 HA ASP A 17 13.735 -6.660 -24.411 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.546 -8.726 -22.166 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.416 -8.592 -23.498 1.00 0.00 H new ATOM 269 N ILE A 18 13.310 -5.331 -21.597 1.00 0.00 N ATOM 270 CA ILE A 18 12.458 -4.568 -20.697 1.00 0.00 C ATOM 271 C ILE A 18 12.820 -3.089 -20.774 1.00 0.00 C ATOM 272 O ILE A 18 13.965 -2.737 -21.055 1.00 0.00 O ATOM 273 CB ILE A 18 12.625 -5.122 -19.271 1.00 0.00 C ATOM 274 CG1 ILE A 18 12.226 -6.605 -19.240 1.00 0.00 C ATOM 275 CG2 ILE A 18 11.797 -4.318 -18.264 1.00 0.00 C ATOM 276 CD1 ILE A 18 12.504 -7.248 -17.880 1.00 0.00 C ATOM 0 H ILE A 18 14.308 -5.199 -21.433 1.00 0.00 H new ATOM 0 HA ILE A 18 11.412 -4.664 -20.987 1.00 0.00 H new ATOM 0 HB ILE A 18 13.672 -5.029 -18.984 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.166 -6.700 -19.475 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.773 -7.143 -20.014 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.935 -4.733 -17.266 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.123 -3.278 -18.273 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.743 -4.370 -18.536 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.206 -8.296 -17.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.568 -7.179 -17.655 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.936 -6.728 -17.109 1.00 0.00 H new ATOM 288 N THR A 19 11.834 -2.223 -20.522 1.00 0.00 N ATOM 289 CA THR A 19 12.022 -0.781 -20.501 1.00 0.00 C ATOM 290 C THR A 19 11.274 -0.206 -19.307 1.00 0.00 C ATOM 291 O THR A 19 10.145 -0.607 -19.038 1.00 0.00 O ATOM 292 CB THR A 19 11.498 -0.168 -21.802 1.00 0.00 C ATOM 293 OG1 THR A 19 12.104 -0.789 -22.914 1.00 0.00 O ATOM 294 CG2 THR A 19 11.796 1.328 -21.866 1.00 0.00 C ATOM 0 H THR A 19 10.876 -2.513 -20.326 1.00 0.00 H new ATOM 0 HA THR A 19 13.083 -0.546 -20.413 1.00 0.00 H new ATOM 0 HB THR A 19 10.419 -0.323 -21.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.760 -0.389 -23.740 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.412 1.736 -22.801 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.316 1.831 -21.027 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.873 1.487 -21.816 1.00 0.00 H new ATOM 302 N ILE A 20 11.901 0.732 -18.592 1.00 0.00 N ATOM 303 CA ILE A 20 11.318 1.338 -17.403 1.00 0.00 C ATOM 304 C ILE A 20 11.221 2.846 -17.612 1.00 0.00 C ATOM 305 O ILE A 20 12.119 3.596 -17.230 1.00 0.00 O ATOM 306 CB ILE A 20 12.141 0.999 -16.149 1.00 0.00 C ATOM 307 CG1 ILE A 20 12.552 -0.478 -16.069 1.00 0.00 C ATOM 308 CG2 ILE A 20 11.359 1.406 -14.898 1.00 0.00 C ATOM 309 CD1 ILE A 20 11.363 -1.430 -15.956 1.00 0.00 C ATOM 0 H ILE A 20 12.827 1.089 -18.825 1.00 0.00 H new ATOM 0 HA ILE A 20 10.318 0.934 -17.245 1.00 0.00 H new ATOM 0 HB ILE A 20 13.069 1.566 -16.213 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.132 -0.735 -16.955 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.206 -0.620 -15.208 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.943 1.165 -14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.163 2.478 -14.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.413 0.865 -14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.723 -2.457 -15.904 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.795 -1.198 -15.055 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.721 -1.315 -16.829 1.00 0.00 H new ATOM 321 N THR A 21 10.123 3.294 -18.224 1.00 0.00 N ATOM 322 CA THR A 21 9.893 4.706 -18.490 1.00 0.00 C ATOM 323 C THR A 21 9.520 5.425 -17.193 1.00 0.00 C ATOM 324 O THR A 21 9.075 4.795 -16.237 1.00 0.00 O ATOM 325 CB THR A 21 8.772 4.835 -19.529 1.00 0.00 C ATOM 326 OG1 THR A 21 9.070 4.015 -20.639 1.00 0.00 O ATOM 327 CG2 THR A 21 8.618 6.267 -20.039 1.00 0.00 C ATOM 0 H THR A 21 9.372 2.685 -18.547 1.00 0.00 H new ATOM 0 HA THR A 21 10.799 5.168 -18.882 1.00 0.00 H new ATOM 0 HB THR A 21 7.845 4.535 -19.041 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.355 4.093 -21.305 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.812 6.307 -20.772 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.382 6.927 -19.204 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.549 6.589 -20.505 1.00 0.00 H new ATOM 335 N ILE A 22 9.701 6.746 -17.161 1.00 0.00 N ATOM 336 CA ILE A 22 9.305 7.587 -16.041 1.00 0.00 C ATOM 337 C ILE A 22 8.296 8.608 -16.560 1.00 0.00 C ATOM 338 O ILE A 22 8.663 9.626 -17.145 1.00 0.00 O ATOM 339 CB ILE A 22 10.541 8.199 -15.358 1.00 0.00 C ATOM 340 CG1 ILE A 22 10.167 9.316 -14.377 1.00 0.00 C ATOM 341 CG2 ILE A 22 11.547 8.754 -16.366 1.00 0.00 C ATOM 342 CD1 ILE A 22 9.263 8.796 -13.263 1.00 0.00 C ATOM 0 H ILE A 22 10.133 7.265 -17.925 1.00 0.00 H new ATOM 0 HA ILE A 22 8.816 7.010 -15.256 1.00 0.00 H new ATOM 0 HB ILE A 22 11.001 7.377 -14.809 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.073 9.741 -13.945 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.662 10.120 -14.913 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.401 9.174 -15.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.887 7.951 -17.021 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.072 9.533 -16.963 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.016 9.612 -12.584 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.347 8.394 -13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.780 8.010 -12.712 1.00 0.00 H new ATOM 354 N LEU A 23 7.007 8.327 -16.343 1.00 0.00 N ATOM 355 CA LEU A 23 5.929 9.116 -16.913 1.00 0.00 C ATOM 356 C LEU A 23 5.811 10.465 -16.217 1.00 0.00 C ATOM 357 O LEU A 23 5.317 11.421 -16.814 1.00 0.00 O ATOM 358 CB LEU A 23 4.601 8.361 -16.792 1.00 0.00 C ATOM 359 CG LEU A 23 4.686 6.904 -17.261 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.281 6.312 -17.281 1.00 0.00 C ATOM 361 CD2 LEU A 23 5.272 6.794 -18.666 1.00 0.00 C ATOM 0 H LEU A 23 6.690 7.547 -15.768 1.00 0.00 H new ATOM 0 HA LEU A 23 6.158 9.286 -17.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.273 8.382 -15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.842 8.880 -17.377 1.00 0.00 H new ATOM 0 HG LEU A 23 5.337 6.366 -16.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.328 5.275 -17.613 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.855 6.353 -16.279 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.655 6.884 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.315 5.746 -18.961 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.643 7.343 -19.367 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.277 7.215 -18.675 1.00 0.00 H new ATOM 373 N GLY A 24 6.260 10.553 -14.960 1.00 0.00 N ATOM 374 CA GLY A 24 6.272 11.829 -14.266 1.00 0.00 C ATOM 375 C GLY A 24 6.338 11.686 -12.750 1.00 0.00 C ATOM 376 O GLY A 24 6.477 10.586 -12.219 1.00 0.00 O ATOM 0 H GLY A 24 6.613 9.765 -14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.127 12.413 -14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.376 12.389 -14.533 1.00 0.00 H new ATOM 380 N VAL A 25 6.234 12.825 -12.063 1.00 0.00 N ATOM 381 CA VAL A 25 6.289 12.912 -10.611 1.00 0.00 C ATOM 382 C VAL A 25 5.050 13.649 -10.101 1.00 0.00 C ATOM 383 O VAL A 25 4.475 14.472 -10.812 1.00 0.00 O ATOM 384 CB VAL A 25 7.599 13.603 -10.202 1.00 0.00 C ATOM 385 CG1 VAL A 25 7.678 15.027 -10.753 1.00 0.00 C ATOM 386 CG2 VAL A 25 7.760 13.662 -8.683 1.00 0.00 C ATOM 0 H VAL A 25 6.106 13.730 -12.515 1.00 0.00 H new ATOM 0 HA VAL A 25 6.284 11.920 -10.159 1.00 0.00 H new ATOM 0 HB VAL A 25 8.403 13.002 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.618 15.485 -10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.629 14.999 -11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.844 15.613 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.699 14.158 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.930 14.220 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.767 12.650 -8.278 1.00 0.00 H new ATOM 396 N SER A 26 4.644 13.350 -8.865 1.00 0.00 N ATOM 397 CA SER A 26 3.478 13.946 -8.231 1.00 0.00 C ATOM 398 C SER A 26 3.759 14.140 -6.744 1.00 0.00 C ATOM 399 O SER A 26 3.236 13.408 -5.905 1.00 0.00 O ATOM 400 CB SER A 26 2.252 13.053 -8.436 1.00 0.00 C ATOM 401 OG SER A 26 1.922 12.971 -9.807 1.00 0.00 O ATOM 0 H SER A 26 5.127 12.676 -8.272 1.00 0.00 H new ATOM 0 HA SER A 26 3.271 14.915 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.452 12.056 -8.044 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.406 13.452 -7.876 1.00 0.00 H new ATOM 0 HG SER A 26 1.137 12.395 -9.921 1.00 0.00 H new ATOM 407 N GLY A 27 4.592 15.132 -6.424 1.00 0.00 N ATOM 408 CA GLY A 27 4.985 15.430 -5.056 1.00 0.00 C ATOM 409 C GLY A 27 5.676 14.231 -4.415 1.00 0.00 C ATOM 410 O GLY A 27 6.780 13.862 -4.810 1.00 0.00 O ATOM 0 H GLY A 27 5.013 15.752 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.655 16.290 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.106 15.703 -4.472 1.00 0.00 H new ATOM 414 N GLN A 28 5.020 13.624 -3.422 1.00 0.00 N ATOM 415 CA GLN A 28 5.551 12.475 -2.706 1.00 0.00 C ATOM 416 C GLN A 28 5.546 11.210 -3.571 1.00 0.00 C ATOM 417 O GLN A 28 6.104 10.191 -3.168 1.00 0.00 O ATOM 418 CB GLN A 28 4.691 12.260 -1.456 1.00 0.00 C ATOM 419 CG GLN A 28 5.392 11.420 -0.385 1.00 0.00 C ATOM 420 CD GLN A 28 6.595 12.148 0.204 1.00 0.00 C ATOM 421 OE1 GLN A 28 7.712 11.642 0.179 1.00 0.00 O ATOM 422 NE2 GLN A 28 6.379 13.346 0.739 1.00 0.00 N ATOM 0 H GLN A 28 4.101 13.922 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 28 6.589 12.671 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.425 13.229 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.760 11.771 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.686 11.181 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.716 10.474 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.438 13.740 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.154 13.871 1.144 1.00 0.00 H new ATOM 431 N GLN A 29 4.924 11.259 -4.756 1.00 0.00 N ATOM 432 CA GLN A 29 4.754 10.071 -5.582 1.00 0.00 C ATOM 433 C GLN A 29 5.462 10.196 -6.928 1.00 0.00 C ATOM 434 O GLN A 29 5.866 11.285 -7.331 1.00 0.00 O ATOM 435 CB GLN A 29 3.264 9.781 -5.783 1.00 0.00 C ATOM 436 CG GLN A 29 2.485 9.883 -4.470 1.00 0.00 C ATOM 437 CD GLN A 29 1.055 9.414 -4.653 1.00 0.00 C ATOM 438 OE1 GLN A 29 0.688 8.324 -4.225 1.00 0.00 O ATOM 439 NE2 GLN A 29 0.231 10.233 -5.293 1.00 0.00 N ATOM 0 H GLN A 29 4.533 12.111 -5.158 1.00 0.00 H new ATOM 0 HA GLN A 29 5.217 9.236 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.851 10.484 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.141 8.782 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.974 9.281 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.492 10.914 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.570 11.132 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.741 9.964 -5.443 1.00 0.00 H new ATOM 448 N VAL A 30 5.606 9.061 -7.619 1.00 0.00 N ATOM 449 CA VAL A 30 6.280 8.956 -8.905 1.00 0.00 C ATOM 450 C VAL A 30 5.559 7.922 -9.764 1.00 0.00 C ATOM 451 O VAL A 30 5.300 6.810 -9.303 1.00 0.00 O ATOM 452 CB VAL A 30 7.737 8.523 -8.689 1.00 0.00 C ATOM 453 CG1 VAL A 30 8.459 8.421 -10.030 1.00 0.00 C ATOM 454 CG2 VAL A 30 8.497 9.526 -7.820 1.00 0.00 C ATOM 0 H VAL A 30 5.245 8.168 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 30 6.265 9.923 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 30 7.714 7.555 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.492 8.113 -9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.957 7.685 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.445 9.392 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.525 9.188 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.496 10.502 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.013 9.604 -6.847 1.00 0.00 H new ATOM 464 N ARG A 31 5.231 8.281 -11.010 1.00 0.00 N ATOM 465 CA ARG A 31 4.557 7.376 -11.932 1.00 0.00 C ATOM 466 C ARG A 31 5.555 6.800 -12.928 1.00 0.00 C ATOM 467 O ARG A 31 6.047 7.507 -13.809 1.00 0.00 O ATOM 468 CB ARG A 31 3.391 8.076 -12.636 1.00 0.00 C ATOM 469 CG ARG A 31 2.687 7.078 -13.555 1.00 0.00 C ATOM 470 CD ARG A 31 1.332 7.620 -14.015 1.00 0.00 C ATOM 471 NE ARG A 31 0.385 7.621 -12.892 1.00 0.00 N ATOM 472 CZ ARG A 31 -0.947 7.705 -12.976 1.00 0.00 C ATOM 473 NH1 ARG A 31 -1.573 7.816 -14.146 1.00 0.00 N ATOM 474 NH2 ARG A 31 -1.665 7.676 -11.858 1.00 0.00 N ATOM 0 H ARG A 31 5.426 9.203 -11.401 1.00 0.00 H new ATOM 0 HA ARG A 31 4.135 6.548 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.689 8.469 -11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.756 8.925 -13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.314 6.872 -14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.546 6.132 -13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.449 8.631 -14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.943 7.008 -14.829 1.00 0.00 H new ATOM 0 HE ARG A 31 0.783 7.551 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.035 7.839 -15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.591 7.878 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.199 7.591 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.682 7.739 -11.903 1.00 0.00 H new ATOM 488 N ILE A 32 5.839 5.506 -12.769 1.00 0.00 N ATOM 489 CA ILE A 32 6.772 4.752 -13.592 1.00 0.00 C ATOM 490 C ILE A 32 5.983 3.892 -14.582 1.00 0.00 C ATOM 491 O ILE A 32 4.825 3.561 -14.335 1.00 0.00 O ATOM 492 CB ILE A 32 7.652 3.894 -12.665 1.00 0.00 C ATOM 493 CG1 ILE A 32 8.404 4.812 -11.688 1.00 0.00 C ATOM 494 CG2 ILE A 32 8.654 3.052 -13.460 1.00 0.00 C ATOM 495 CD1 ILE A 32 9.216 4.021 -10.659 1.00 0.00 C ATOM 0 H ILE A 32 5.409 4.940 -12.038 1.00 0.00 H new ATOM 0 HA ILE A 32 7.418 5.415 -14.167 1.00 0.00 H new ATOM 0 HB ILE A 32 7.005 3.210 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.071 5.467 -12.248 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.689 5.452 -11.170 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.258 2.460 -12.772 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.116 2.387 -14.135 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.303 3.709 -14.039 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.729 4.713 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.547 3.385 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.950 3.401 -11.174 1.00 0.00 H new ATOM 507 N GLY A 33 6.611 3.530 -15.706 1.00 0.00 N ATOM 508 CA GLY A 33 6.007 2.712 -16.747 1.00 0.00 C ATOM 509 C GLY A 33 6.869 1.481 -17.003 1.00 0.00 C ATOM 510 O GLY A 33 7.829 1.541 -17.766 1.00 0.00 O ATOM 0 H GLY A 33 7.570 3.806 -15.915 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.004 2.409 -16.447 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.904 3.292 -17.664 1.00 0.00 H new ATOM 514 N ILE A 34 6.521 0.362 -16.361 1.00 0.00 N ATOM 515 CA ILE A 34 7.292 -0.870 -16.428 1.00 0.00 C ATOM 516 C ILE A 34 6.831 -1.695 -17.627 1.00 0.00 C ATOM 517 O ILE A 34 5.760 -2.297 -17.591 1.00 0.00 O ATOM 518 CB ILE A 34 7.110 -1.657 -15.123 1.00 0.00 C ATOM 519 CG1 ILE A 34 7.434 -0.772 -13.913 1.00 0.00 C ATOM 520 CG2 ILE A 34 8.027 -2.884 -15.152 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.926 -1.403 -12.617 1.00 0.00 C ATOM 0 H ILE A 34 5.688 0.291 -15.777 1.00 0.00 H new ATOM 0 HA ILE A 34 8.350 -0.640 -16.552 1.00 0.00 H new ATOM 0 HB ILE A 34 6.073 -1.980 -15.033 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.511 -0.619 -13.849 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.980 0.210 -14.045 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.906 -3.451 -14.229 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.765 -3.514 -16.002 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.064 -2.561 -15.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.170 -0.754 -11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.845 -1.532 -12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.400 -2.374 -12.475 1.00 0.00 H new ATOM 533 N ASN A 35 7.631 -1.726 -18.694 1.00 0.00 N ATOM 534 CA ASN A 35 7.283 -2.445 -19.908 1.00 0.00 C ATOM 535 C ASN A 35 8.155 -3.682 -20.080 1.00 0.00 C ATOM 536 O ASN A 35 9.334 -3.584 -20.414 1.00 0.00 O ATOM 537 CB ASN A 35 7.399 -1.515 -21.110 1.00 0.00 C ATOM 538 CG ASN A 35 6.811 -2.158 -22.358 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.628 -2.488 -22.391 1.00 0.00 O ATOM 540 ND2 ASN A 35 7.628 -2.342 -23.390 1.00 0.00 N ATOM 0 H ASN A 35 8.534 -1.253 -18.735 1.00 0.00 H new ATOM 0 HA ASN A 35 6.250 -2.785 -19.831 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.881 -0.579 -20.901 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.446 -1.268 -21.283 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.278 -2.770 -24.247 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.605 -2.055 -23.325 1.00 0.00 H new ATOM 547 N ALA A 36 7.549 -4.842 -19.845 1.00 0.00 N ATOM 548 CA ALA A 36 8.190 -6.145 -19.930 1.00 0.00 C ATOM 549 C ALA A 36 7.216 -7.133 -20.574 1.00 0.00 C ATOM 550 O ALA A 36 6.004 -6.926 -20.513 1.00 0.00 O ATOM 551 CB ALA A 36 8.550 -6.593 -18.513 1.00 0.00 C ATOM 0 H ALA A 36 6.565 -4.900 -19.582 1.00 0.00 H new ATOM 0 HA ALA A 36 9.095 -6.099 -20.536 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.033 -7.569 -18.552 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.231 -5.869 -18.064 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.644 -6.660 -17.911 1.00 0.00 H new ATOM 557 N PRO A 37 7.721 -8.209 -21.189 1.00 0.00 N ATOM 558 CA PRO A 37 6.889 -9.230 -21.794 1.00 0.00 C ATOM 559 C PRO A 37 6.248 -10.094 -20.712 1.00 0.00 C ATOM 560 O PRO A 37 6.695 -10.100 -19.566 1.00 0.00 O ATOM 561 CB PRO A 37 7.847 -10.045 -22.661 1.00 0.00 C ATOM 562 CG PRO A 37 9.169 -9.940 -21.902 1.00 0.00 C ATOM 563 CD PRO A 37 9.131 -8.517 -21.349 1.00 0.00 C ATOM 0 HA PRO A 37 6.069 -8.815 -22.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.520 -11.080 -22.761 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.926 -9.637 -23.669 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.238 -10.681 -21.106 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.025 -10.096 -22.558 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.659 -8.450 -20.398 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.612 -7.816 -22.031 1.00 0.00 H new ATOM 571 N LYS A 38 5.195 -10.833 -21.070 1.00 0.00 N ATOM 572 CA LYS A 38 4.516 -11.733 -20.144 1.00 0.00 C ATOM 573 C LYS A 38 5.392 -12.936 -19.791 1.00 0.00 C ATOM 574 O LYS A 38 4.986 -13.780 -18.996 1.00 0.00 O ATOM 575 CB LYS A 38 3.187 -12.174 -20.762 1.00 0.00 C ATOM 576 CG LYS A 38 2.146 -11.053 -20.666 1.00 0.00 C ATOM 577 CD LYS A 38 1.577 -10.972 -19.247 1.00 0.00 C ATOM 578 CE LYS A 38 0.501 -9.890 -19.201 1.00 0.00 C ATOM 579 NZ LYS A 38 -0.153 -9.834 -17.882 1.00 0.00 N ATOM 0 H LYS A 38 4.793 -10.822 -22.007 1.00 0.00 H new ATOM 0 HA LYS A 38 4.320 -11.204 -19.211 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.339 -12.447 -21.806 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.819 -13.063 -20.250 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.602 -10.101 -20.937 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.341 -11.234 -21.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.156 -11.934 -18.955 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.371 -10.743 -18.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.947 -8.922 -19.428 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.246 -10.085 -19.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.878 -9.089 -17.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.599 -10.751 -17.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.556 -9.623 -17.151 1.00 0.00 H new ATOM 593 N ASP A 39 6.591 -13.019 -20.374 1.00 0.00 N ATOM 594 CA ASP A 39 7.565 -14.051 -20.053 1.00 0.00 C ATOM 595 C ASP A 39 8.195 -13.793 -18.684 1.00 0.00 C ATOM 596 O ASP A 39 8.911 -14.647 -18.161 1.00 0.00 O ATOM 597 CB ASP A 39 8.655 -14.065 -21.125 1.00 0.00 C ATOM 598 CG ASP A 39 8.105 -14.547 -22.465 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.990 -15.783 -22.627 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.806 -13.680 -23.315 1.00 0.00 O ATOM 0 H ASP A 39 6.910 -12.363 -21.087 1.00 0.00 H new ATOM 0 HA ASP A 39 7.059 -15.016 -20.024 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.070 -13.064 -21.238 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.471 -14.715 -20.809 1.00 0.00 H new ATOM 605 N VAL A 40 7.928 -12.617 -18.102 1.00 0.00 N ATOM 606 CA VAL A 40 8.435 -12.233 -16.791 1.00 0.00 C ATOM 607 C VAL A 40 7.322 -11.569 -15.984 1.00 0.00 C ATOM 608 O VAL A 40 6.249 -11.274 -16.514 1.00 0.00 O ATOM 609 CB VAL A 40 9.643 -11.298 -16.934 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.747 -11.941 -17.771 1.00 0.00 C ATOM 611 CG2 VAL A 40 9.257 -9.990 -17.618 1.00 0.00 C ATOM 0 H VAL A 40 7.347 -11.902 -18.538 1.00 0.00 H new ATOM 0 HA VAL A 40 8.766 -13.126 -16.260 1.00 0.00 H new ATOM 0 HB VAL A 40 9.999 -11.104 -15.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.589 -11.253 -17.853 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.077 -12.863 -17.292 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.364 -12.167 -18.766 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.136 -9.351 -17.703 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.864 -10.202 -18.613 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.495 -9.482 -17.027 1.00 0.00 H new ATOM 621 N ALA A 41 7.574 -11.331 -14.695 1.00 0.00 N ATOM 622 CA ALA A 41 6.584 -10.738 -13.815 1.00 0.00 C ATOM 623 C ALA A 41 7.029 -9.355 -13.347 1.00 0.00 C ATOM 624 O ALA A 41 8.207 -9.008 -13.432 1.00 0.00 O ATOM 625 CB ALA A 41 6.346 -11.672 -12.628 1.00 0.00 C ATOM 0 H ALA A 41 8.463 -11.544 -14.242 1.00 0.00 H new ATOM 0 HA ALA A 41 5.649 -10.608 -14.360 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.603 -11.233 -11.962 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.985 -12.635 -12.989 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.280 -11.815 -12.085 1.00 0.00 H new ATOM 631 N VAL A 42 6.070 -8.571 -12.851 1.00 0.00 N ATOM 632 CA VAL A 42 6.302 -7.234 -12.324 1.00 0.00 C ATOM 633 C VAL A 42 5.242 -6.931 -11.269 1.00 0.00 C ATOM 634 O VAL A 42 4.049 -6.898 -11.563 1.00 0.00 O ATOM 635 CB VAL A 42 6.300 -6.196 -13.461 1.00 0.00 C ATOM 636 CG1 VAL A 42 5.301 -6.541 -14.560 1.00 0.00 C ATOM 637 CG2 VAL A 42 5.980 -4.795 -12.942 1.00 0.00 C ATOM 0 H VAL A 42 5.092 -8.858 -12.806 1.00 0.00 H new ATOM 0 HA VAL A 42 7.284 -7.182 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 42 7.307 -6.215 -13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.338 -5.778 -15.338 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.553 -7.510 -14.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.296 -6.581 -14.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.987 -4.089 -13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.995 -4.796 -12.475 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.729 -4.499 -12.207 1.00 0.00 H new ATOM 647 N HIS A 43 5.690 -6.708 -10.032 1.00 0.00 N ATOM 648 CA HIS A 43 4.819 -6.371 -8.913 1.00 0.00 C ATOM 649 C HIS A 43 5.509 -5.377 -7.980 1.00 0.00 C ATOM 650 O HIS A 43 6.723 -5.197 -8.049 1.00 0.00 O ATOM 651 CB HIS A 43 4.455 -7.641 -8.138 1.00 0.00 C ATOM 652 CG HIS A 43 3.682 -8.652 -8.944 1.00 0.00 C ATOM 653 ND1 HIS A 43 2.323 -8.866 -8.892 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.207 -9.527 -9.857 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.037 -9.840 -9.774 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.151 -10.276 -10.385 1.00 0.00 N ATOM 0 H HIS A 43 6.677 -6.758 -9.780 1.00 0.00 H new ATOM 0 HA HIS A 43 3.911 -5.912 -9.304 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.371 -8.106 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.868 -7.364 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.250 -9.622 -10.122 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.045 -10.221 -9.965 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.214 -11.008 -11.093 1.00 0.00 H new ATOM 664 N ARG A 44 4.735 -4.729 -7.102 1.00 0.00 N ATOM 665 CA ARG A 44 5.285 -3.840 -6.086 1.00 0.00 C ATOM 666 C ARG A 44 5.672 -4.650 -4.850 1.00 0.00 C ATOM 667 O ARG A 44 5.316 -5.820 -4.739 1.00 0.00 O ATOM 668 CB ARG A 44 4.264 -2.746 -5.753 1.00 0.00 C ATOM 669 CG ARG A 44 3.011 -3.368 -5.142 1.00 0.00 C ATOM 670 CD ARG A 44 1.938 -2.331 -4.840 1.00 0.00 C ATOM 671 NE ARG A 44 1.172 -1.976 -6.036 1.00 0.00 N ATOM 672 CZ ARG A 44 0.177 -1.087 -6.038 1.00 0.00 C ATOM 673 NH1 ARG A 44 -0.159 -0.431 -4.929 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.487 -0.856 -7.162 1.00 0.00 N ATOM 0 H ARG A 44 3.718 -4.808 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 44 6.185 -3.354 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.701 -2.030 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.003 -2.194 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.609 -4.115 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.278 -3.889 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.262 -2.719 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.404 -1.436 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 44 1.412 -2.433 -6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.347 -0.605 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.922 0.245 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.236 -1.356 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.249 -0.178 -7.174 1.00 0.00 H new ATOM 688 N GLU A 45 6.403 -4.040 -3.915 1.00 0.00 N ATOM 689 CA GLU A 45 6.884 -4.740 -2.730 1.00 0.00 C ATOM 690 C GLU A 45 5.733 -5.221 -1.844 1.00 0.00 C ATOM 691 O GLU A 45 5.771 -6.334 -1.323 1.00 0.00 O ATOM 692 CB GLU A 45 7.805 -3.798 -1.951 1.00 0.00 C ATOM 693 CG GLU A 45 8.467 -4.495 -0.761 1.00 0.00 C ATOM 694 CD GLU A 45 9.409 -5.610 -1.213 1.00 0.00 C ATOM 695 OE1 GLU A 45 10.564 -5.281 -1.564 1.00 0.00 O ATOM 696 OE2 GLU A 45 8.966 -6.780 -1.205 1.00 0.00 O ATOM 0 H GLU A 45 6.674 -3.058 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 45 7.431 -5.629 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.575 -3.411 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.231 -2.942 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.023 -3.764 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.699 -4.910 -0.108 1.00 0.00 H new ATOM 703 N GLU A 46 4.703 -4.386 -1.670 1.00 0.00 N ATOM 704 CA GLU A 46 3.565 -4.685 -0.805 1.00 0.00 C ATOM 705 C GLU A 46 2.615 -5.719 -1.415 1.00 0.00 C ATOM 706 O GLU A 46 1.593 -6.048 -0.812 1.00 0.00 O ATOM 707 CB GLU A 46 2.790 -3.395 -0.526 1.00 0.00 C ATOM 708 CG GLU A 46 3.672 -2.361 0.174 1.00 0.00 C ATOM 709 CD GLU A 46 2.867 -1.106 0.505 1.00 0.00 C ATOM 710 OE1 GLU A 46 2.512 -0.379 -0.450 1.00 0.00 O ATOM 711 OE2 GLU A 46 2.613 -0.882 1.711 1.00 0.00 O ATOM 0 H GLU A 46 4.639 -3.478 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 46 3.962 -5.110 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.415 -2.983 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.922 -3.616 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.085 -2.787 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.515 -2.101 -0.466 1.00 0.00 H new ATOM 718 N ILE A 47 2.939 -6.235 -2.605 1.00 0.00 N ATOM 719 CA ILE A 47 2.070 -7.130 -3.359 1.00 0.00 C ATOM 720 C ILE A 47 2.841 -8.348 -3.868 1.00 0.00 C ATOM 721 O ILE A 47 2.240 -9.390 -4.114 1.00 0.00 O ATOM 722 CB ILE A 47 1.494 -6.313 -4.520 1.00 0.00 C ATOM 723 CG1 ILE A 47 0.458 -5.292 -4.027 1.00 0.00 C ATOM 724 CG2 ILE A 47 0.888 -7.144 -5.641 1.00 0.00 C ATOM 725 CD1 ILE A 47 -0.876 -5.927 -3.636 1.00 0.00 C ATOM 0 H ILE A 47 3.824 -6.038 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 47 1.271 -7.517 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 47 2.357 -5.799 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.864 -4.758 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.285 -4.553 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.506 -6.483 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.652 -7.797 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.072 -7.749 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.563 -5.151 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.303 -6.437 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.715 -6.646 -2.833 1.00 0.00 H new ATOM 737 N TYR A 48 4.162 -8.232 -4.025 1.00 0.00 N ATOM 738 CA TYR A 48 4.988 -9.343 -4.471 1.00 0.00 C ATOM 739 C TYR A 48 4.960 -10.466 -3.438 1.00 0.00 C ATOM 740 O TYR A 48 4.563 -11.583 -3.757 1.00 0.00 O ATOM 741 CB TYR A 48 6.418 -8.853 -4.706 1.00 0.00 C ATOM 742 CG TYR A 48 7.403 -9.963 -5.001 1.00 0.00 C ATOM 743 CD1 TYR A 48 7.049 -11.014 -5.861 1.00 0.00 C ATOM 744 CD2 TYR A 48 8.674 -9.939 -4.409 1.00 0.00 C ATOM 745 CE1 TYR A 48 7.958 -12.051 -6.116 1.00 0.00 C ATOM 746 CE2 TYR A 48 9.590 -10.968 -4.664 1.00 0.00 C ATOM 747 CZ TYR A 48 9.234 -12.032 -5.518 1.00 0.00 C ATOM 748 OH TYR A 48 10.119 -13.038 -5.766 1.00 0.00 O ATOM 0 H TYR A 48 4.680 -7.371 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 48 4.594 -9.736 -5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.419 -8.149 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.754 -8.306 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.075 -11.024 -6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.948 -9.125 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.680 -12.864 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.568 -10.946 -4.207 1.00 0.00 H new ATOM 0 HH TYR A 48 10.951 -12.870 -5.276 1.00 0.00 H new ATOM 846 N MET B 1 2.318 -2.231 -21.289 1.00 0.00 N ATOM 847 CA MET B 1 3.096 -1.615 -20.198 1.00 0.00 C ATOM 848 C MET B 1 2.308 -1.654 -18.895 1.00 0.00 C ATOM 849 O MET B 1 1.086 -1.529 -18.917 1.00 0.00 O ATOM 850 CB MET B 1 3.469 -0.177 -20.566 1.00 0.00 C ATOM 851 CG MET B 1 4.401 0.445 -19.527 1.00 0.00 C ATOM 852 SD MET B 1 5.315 1.894 -20.125 1.00 0.00 S ATOM 853 CE MET B 1 3.941 2.987 -20.569 1.00 0.00 C ATOM 0 H1 MET B 1 2.291 -1.585 -22.104 1.00 0.00 H new ATOM 0 H2 MET B 1 2.765 -3.126 -21.572 1.00 0.00 H new ATOM 0 H3 MET B 1 1.348 -2.417 -20.962 1.00 0.00 H new ATOM 0 HA MET B 1 4.015 -2.184 -20.055 1.00 0.00 H new ATOM 0 HB2 MET B 1 3.952 -0.164 -21.543 1.00 0.00 H new ATOM 0 HB3 MET B 1 2.564 0.424 -20.650 1.00 0.00 H new ATOM 0 HG2 MET B 1 3.814 0.733 -18.655 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.114 -0.310 -19.196 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.331 3.890 -21.038 1.00 0.00 H new ATOM 0 HE2 MET B 1 3.278 2.474 -21.266 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.385 3.256 -19.671 1.00 0.00 H new ATOM 865 N LEU B 2 3.002 -1.827 -17.766 1.00 0.00 N ATOM 866 CA LEU B 2 2.380 -1.843 -16.452 1.00 0.00 C ATOM 867 C LEU B 2 2.769 -0.573 -15.699 1.00 0.00 C ATOM 868 O LEU B 2 3.879 -0.461 -15.181 1.00 0.00 O ATOM 869 CB LEU B 2 2.818 -3.090 -15.673 1.00 0.00 C ATOM 870 CG LEU B 2 1.764 -3.590 -14.673 1.00 0.00 C ATOM 871 CD1 LEU B 2 2.421 -4.295 -13.500 1.00 0.00 C ATOM 872 CD2 LEU B 2 0.857 -2.514 -14.099 1.00 0.00 C ATOM 0 H LEU B 2 4.013 -1.960 -17.745 1.00 0.00 H new ATOM 0 HA LEU B 2 1.296 -1.877 -16.561 1.00 0.00 H new ATOM 0 HB2 LEU B 2 3.045 -3.889 -16.379 1.00 0.00 H new ATOM 0 HB3 LEU B 2 3.740 -2.868 -15.136 1.00 0.00 H new ATOM 0 HG LEU B 2 1.145 -4.264 -15.265 1.00 0.00 H new ATOM 0 HD11 LEU B 2 1.654 -4.639 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU B 2 2.992 -5.149 -13.863 1.00 0.00 H new ATOM 0 HD13 LEU B 2 3.089 -3.603 -12.987 1.00 0.00 H new ATOM 0 HD21 LEU B 2 0.149 -2.967 -13.405 1.00 0.00 H new ATOM 0 HD22 LEU B 2 1.459 -1.774 -13.572 1.00 0.00 H new ATOM 0 HD23 LEU B 2 0.312 -2.028 -14.908 1.00 0.00 H new ATOM 884 N ILE B 3 1.851 0.390 -15.639 1.00 0.00 N ATOM 885 CA ILE B 3 2.088 1.654 -14.970 1.00 0.00 C ATOM 886 C ILE B 3 1.733 1.515 -13.492 1.00 0.00 C ATOM 887 O ILE B 3 0.791 0.806 -13.139 1.00 0.00 O ATOM 888 CB ILE B 3 1.247 2.750 -15.643 1.00 0.00 C ATOM 889 CG1 ILE B 3 1.696 2.999 -17.089 1.00 0.00 C ATOM 890 CG2 ILE B 3 1.396 4.071 -14.885 1.00 0.00 C ATOM 891 CD1 ILE B 3 1.100 2.011 -18.089 1.00 0.00 C ATOM 0 H ILE B 3 0.923 0.309 -16.055 1.00 0.00 H new ATOM 0 HA ILE B 3 3.139 1.932 -15.047 1.00 0.00 H new ATOM 0 HB ILE B 3 0.213 2.405 -15.633 1.00 0.00 H new ATOM 0 HG12 ILE B 3 1.416 4.012 -17.379 1.00 0.00 H new ATOM 0 HG13 ILE B 3 2.783 2.943 -17.138 1.00 0.00 H new ATOM 0 HG21 ILE B 3 0.795 4.839 -15.372 1.00 0.00 H new ATOM 0 HG22 ILE B 3 1.056 3.941 -13.858 1.00 0.00 H new ATOM 0 HG23 ILE B 3 2.443 4.374 -14.885 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.460 2.246 -19.091 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.402 0.998 -17.823 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.013 2.083 -18.068 1.00 0.00 H new ATOM 903 N LEU B 4 2.490 2.195 -12.629 1.00 0.00 N ATOM 904 CA LEU B 4 2.232 2.261 -11.197 1.00 0.00 C ATOM 905 C LEU B 4 2.569 3.674 -10.724 1.00 0.00 C ATOM 906 O LEU B 4 3.283 4.399 -11.415 1.00 0.00 O ATOM 907 CB LEU B 4 3.111 1.250 -10.447 1.00 0.00 C ATOM 908 CG LEU B 4 2.774 -0.217 -10.737 1.00 0.00 C ATOM 909 CD1 LEU B 4 3.820 -1.109 -10.074 1.00 0.00 C ATOM 910 CD2 LEU B 4 1.415 -0.604 -10.157 1.00 0.00 C ATOM 0 H LEU B 4 3.314 2.724 -12.915 1.00 0.00 H new ATOM 0 HA LEU B 4 1.187 2.023 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU B 4 4.154 1.429 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU B 4 3.015 1.428 -9.376 1.00 0.00 H new ATOM 0 HG LEU B 4 2.757 -0.346 -11.819 1.00 0.00 H new ATOM 0 HD11 LEU B 4 3.587 -2.155 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU B 4 4.806 -0.873 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU B 4 3.815 -0.937 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU B 4 1.208 -1.650 -10.381 1.00 0.00 H new ATOM 0 HD22 LEU B 4 1.426 -0.460 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU B 4 0.639 0.022 -10.599 1.00 0.00 H new ATOM 922 N THR B 5 2.064 4.072 -9.553 1.00 0.00 N ATOM 923 CA THR B 5 2.382 5.372 -8.973 1.00 0.00 C ATOM 924 C THR B 5 2.917 5.169 -7.561 1.00 0.00 C ATOM 925 O THR B 5 2.197 5.335 -6.579 1.00 0.00 O ATOM 926 CB THR B 5 1.165 6.303 -9.002 1.00 0.00 C ATOM 927 OG1 THR B 5 0.656 6.385 -10.314 1.00 0.00 O ATOM 928 CG2 THR B 5 1.547 7.713 -8.564 1.00 0.00 C ATOM 0 H THR B 5 1.430 3.506 -8.988 1.00 0.00 H new ATOM 0 HA THR B 5 3.154 5.859 -9.569 1.00 0.00 H new ATOM 0 HB THR B 5 0.419 5.894 -8.321 1.00 0.00 H new ATOM 0 HG1 THR B 5 1.319 6.034 -10.945 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.666 8.354 -8.593 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.941 7.684 -7.548 1.00 0.00 H new ATOM 0 HG23 THR B 5 2.307 8.110 -9.237 1.00 0.00 H new ATOM 936 N ARG B 6 4.198 4.806 -7.465 1.00 0.00 N ATOM 937 CA ARG B 6 4.843 4.528 -6.189 1.00 0.00 C ATOM 938 C ARG B 6 5.121 5.828 -5.448 1.00 0.00 C ATOM 939 O ARG B 6 4.934 6.913 -5.995 1.00 0.00 O ATOM 940 CB ARG B 6 6.159 3.782 -6.442 1.00 0.00 C ATOM 941 CG ARG B 6 5.911 2.321 -6.828 1.00 0.00 C ATOM 942 CD ARG B 6 5.917 1.409 -5.597 1.00 0.00 C ATOM 943 NE ARG B 6 4.970 1.848 -4.568 1.00 0.00 N ATOM 944 CZ ARG B 6 3.650 1.656 -4.582 1.00 0.00 C ATOM 945 NH1 ARG B 6 3.056 1.019 -5.589 1.00 0.00 N ATOM 946 NH2 ARG B 6 2.922 2.112 -3.567 1.00 0.00 N ATOM 0 H ARG B 6 4.813 4.698 -8.271 1.00 0.00 H new ATOM 0 HA ARG B 6 4.184 3.912 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG B 6 6.714 4.280 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG B 6 6.779 3.823 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG B 6 4.953 2.236 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG B 6 6.678 1.993 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG B 6 5.672 0.392 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG B 6 6.921 1.382 -5.174 1.00 0.00 H new ATOM 0 HE ARG B 6 5.356 2.347 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG B 6 3.612 0.668 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG B 6 2.045 0.882 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG B 6 3.374 2.600 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG B 6 1.911 1.974 -3.562 1.00 0.00 H new ATOM 960 N LYS B 7 5.571 5.715 -4.197 1.00 0.00 N ATOM 961 CA LYS B 7 6.008 6.863 -3.420 1.00 0.00 C ATOM 962 C LYS B 7 7.510 6.738 -3.216 1.00 0.00 C ATOM 963 O LYS B 7 8.045 5.630 -3.259 1.00 0.00 O ATOM 964 CB LYS B 7 5.228 6.941 -2.104 1.00 0.00 C ATOM 965 CG LYS B 7 3.729 6.753 -2.365 1.00 0.00 C ATOM 966 CD LYS B 7 2.880 7.298 -1.216 1.00 0.00 C ATOM 967 CE LYS B 7 1.427 6.867 -1.408 1.00 0.00 C ATOM 968 NZ LYS B 7 0.558 7.411 -0.349 1.00 0.00 N ATOM 0 H LYS B 7 5.640 4.827 -3.701 1.00 0.00 H new ATOM 0 HA LYS B 7 5.806 7.798 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.584 6.174 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.403 7.905 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.455 7.259 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.514 5.694 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.258 6.927 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.947 8.385 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.072 7.205 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.366 5.779 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.421 7.099 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.883 7.068 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.598 8.450 -0.367 1.00 0.00 H new ATOM 982 N VAL B 8 8.211 7.850 -2.996 1.00 0.00 N ATOM 983 CA VAL B 8 9.660 7.769 -2.879 1.00 0.00 C ATOM 984 C VAL B 8 10.056 6.980 -1.639 1.00 0.00 C ATOM 985 O VAL B 8 9.362 6.987 -0.623 1.00 0.00 O ATOM 986 CB VAL B 8 10.302 9.154 -2.905 1.00 0.00 C ATOM 987 CG1 VAL B 8 10.026 9.764 -4.275 1.00 0.00 C ATOM 988 CG2 VAL B 8 9.792 10.116 -1.837 1.00 0.00 C ATOM 0 H VAL B 8 7.814 8.785 -2.899 1.00 0.00 H new ATOM 0 HA VAL B 8 10.041 7.231 -3.747 1.00 0.00 H new ATOM 0 HB VAL B 8 11.363 9.014 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.472 10.757 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.458 9.130 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.950 9.841 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.305 11.073 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.720 10.265 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.986 9.699 -0.849 1.00 0.00 H new ATOM 998 N GLY B 9 11.194 6.297 -1.746 1.00 0.00 N ATOM 999 CA GLY B 9 11.715 5.418 -0.711 1.00 0.00 C ATOM 1000 C GLY B 9 11.104 4.015 -0.779 1.00 0.00 C ATOM 1001 O GLY B 9 11.582 3.112 -0.094 1.00 0.00 O ATOM 0 H GLY B 9 11.789 6.343 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY B 9 12.798 5.346 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY B 9 11.513 5.853 0.268 1.00 0.00 H new ATOM 1005 N GLU B 10 10.061 3.820 -1.594 1.00 0.00 N ATOM 1006 CA GLU B 10 9.446 2.510 -1.782 1.00 0.00 C ATOM 1007 C GLU B 10 10.183 1.727 -2.872 1.00 0.00 C ATOM 1008 O GLU B 10 11.169 2.205 -3.432 1.00 0.00 O ATOM 1009 CB GLU B 10 7.962 2.658 -2.135 1.00 0.00 C ATOM 1010 CG GLU B 10 7.213 3.414 -1.034 1.00 0.00 C ATOM 1011 CD GLU B 10 5.702 3.388 -1.262 1.00 0.00 C ATOM 1012 OE1 GLU B 10 5.290 3.487 -2.439 1.00 0.00 O ATOM 1013 OE2 GLU B 10 4.969 3.270 -0.255 1.00 0.00 O ATOM 0 H GLU B 10 9.625 4.565 -2.137 1.00 0.00 H new ATOM 0 HA GLU B 10 9.521 1.955 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.860 3.190 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.517 1.673 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.443 2.970 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.559 4.447 -1.001 1.00 0.00 H new ATOM 1020 N SER B 11 9.708 0.514 -3.177 1.00 0.00 N ATOM 1021 CA SER B 11 10.362 -0.347 -4.152 1.00 0.00 C ATOM 1022 C SER B 11 9.363 -1.044 -5.069 1.00 0.00 C ATOM 1023 O SER B 11 8.154 -1.034 -4.835 1.00 0.00 O ATOM 1024 CB SER B 11 11.198 -1.399 -3.416 1.00 0.00 C ATOM 1025 OG SER B 11 12.170 -0.785 -2.595 1.00 0.00 O ATOM 0 H SER B 11 8.870 0.111 -2.758 1.00 0.00 H new ATOM 0 HA SER B 11 10.998 0.281 -4.776 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.547 -2.027 -2.808 1.00 0.00 H new ATOM 0 HB3 SER B 11 11.687 -2.052 -4.139 1.00 0.00 H new ATOM 0 HG SER B 11 12.691 -1.475 -2.133 1.00 0.00 H new ATOM 1031 N ILE B 12 9.905 -1.651 -6.127 1.00 0.00 N ATOM 1032 CA ILE B 12 9.201 -2.454 -7.115 1.00 0.00 C ATOM 1033 C ILE B 12 10.044 -3.705 -7.359 1.00 0.00 C ATOM 1034 O ILE B 12 11.225 -3.721 -7.018 1.00 0.00 O ATOM 1035 CB ILE B 12 9.045 -1.626 -8.403 1.00 0.00 C ATOM 1036 CG1 ILE B 12 8.026 -0.487 -8.253 1.00 0.00 C ATOM 1037 CG2 ILE B 12 8.672 -2.484 -9.615 1.00 0.00 C ATOM 1038 CD1 ILE B 12 6.599 -0.980 -8.009 1.00 0.00 C ATOM 0 H ILE B 12 10.904 -1.588 -6.323 1.00 0.00 H new ATOM 0 HA ILE B 12 8.206 -2.743 -6.777 1.00 0.00 H new ATOM 0 HB ILE B 12 10.029 -1.191 -8.578 1.00 0.00 H new ATOM 0 HG12 ILE B 12 8.328 0.155 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE B 12 8.042 0.126 -9.154 1.00 0.00 H new ATOM 0 HG21 ILE B 12 8.575 -1.848 -10.495 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.450 -3.227 -9.788 1.00 0.00 H new ATOM 0 HG23 ILE B 12 7.724 -2.989 -9.426 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.930 -0.125 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE B 12 6.279 -1.598 -8.848 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.569 -1.569 -7.092 1.00 0.00 H new ATOM 1050 N ASN B 13 9.458 -4.752 -7.943 1.00 0.00 N ATOM 1051 CA ASN B 13 10.179 -5.973 -8.264 1.00 0.00 C ATOM 1052 C ASN B 13 9.873 -6.415 -9.688 1.00 0.00 C ATOM 1053 O ASN B 13 8.785 -6.169 -10.206 1.00 0.00 O ATOM 1054 CB ASN B 13 9.795 -7.069 -7.268 1.00 0.00 C ATOM 1055 CG ASN B 13 10.340 -6.764 -5.883 1.00 0.00 C ATOM 1056 OD1 ASN B 13 9.591 -6.436 -4.967 1.00 0.00 O ATOM 1057 ND2 ASN B 13 11.655 -6.872 -5.729 1.00 0.00 N ATOM 0 H ASN B 13 8.472 -4.772 -8.204 1.00 0.00 H new ATOM 0 HA ASN B 13 11.250 -5.784 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN B 13 8.710 -7.160 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN B 13 10.182 -8.029 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN B 13 12.080 -6.679 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN B 13 12.240 -7.148 -6.518 1.00 0.00 H new ATOM 1064 N ILE B 14 10.852 -7.072 -10.315 1.00 0.00 N ATOM 1065 CA ILE B 14 10.734 -7.577 -11.675 1.00 0.00 C ATOM 1066 C ILE B 14 11.408 -8.946 -11.751 1.00 0.00 C ATOM 1067 O ILE B 14 12.337 -9.232 -10.995 1.00 0.00 O ATOM 1068 CB ILE B 14 11.362 -6.574 -12.661 1.00 0.00 C ATOM 1069 CG1 ILE B 14 10.643 -5.221 -12.569 1.00 0.00 C ATOM 1070 CG2 ILE B 14 11.276 -7.109 -14.096 1.00 0.00 C ATOM 1071 CD1 ILE B 14 11.265 -4.164 -13.484 1.00 0.00 C ATOM 0 H ILE B 14 11.756 -7.268 -9.884 1.00 0.00 H new ATOM 0 HA ILE B 14 9.686 -7.692 -11.951 1.00 0.00 H new ATOM 0 HB ILE B 14 12.411 -6.441 -12.396 1.00 0.00 H new ATOM 0 HG12 ILE B 14 9.593 -5.352 -12.832 1.00 0.00 H new ATOM 0 HG13 ILE B 14 10.672 -4.867 -11.538 1.00 0.00 H new ATOM 0 HG21 ILE B 14 11.724 -6.389 -14.780 1.00 0.00 H new ATOM 0 HG22 ILE B 14 11.812 -8.056 -14.164 1.00 0.00 H new ATOM 0 HG23 ILE B 14 10.231 -7.263 -14.365 1.00 0.00 H new ATOM 0 HD11 ILE B 14 10.719 -3.226 -13.380 1.00 0.00 H new ATOM 0 HD12 ILE B 14 12.307 -4.010 -13.205 1.00 0.00 H new ATOM 0 HD13 ILE B 14 11.212 -4.502 -14.519 1.00 0.00 H new ATOM 1083 N GLY B 15 10.936 -9.794 -12.670 1.00 0.00 N ATOM 1084 CA GLY B 15 11.457 -11.138 -12.853 1.00 0.00 C ATOM 1085 C GLY B 15 11.322 -11.938 -11.562 1.00 0.00 C ATOM 1086 O GLY B 15 10.211 -12.168 -11.087 1.00 0.00 O ATOM 0 H GLY B 15 10.176 -9.559 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY B 15 10.917 -11.638 -13.657 1.00 0.00 H new ATOM 0 HA3 GLY B 15 12.504 -11.092 -13.153 1.00 0.00 H new ATOM 1090 N ASP B 16 12.456 -12.363 -10.998 1.00 0.00 N ATOM 1091 CA ASP B 16 12.485 -13.108 -9.747 1.00 0.00 C ATOM 1092 C ASP B 16 13.684 -12.704 -8.882 1.00 0.00 C ATOM 1093 O ASP B 16 13.861 -13.239 -7.788 1.00 0.00 O ATOM 1094 CB ASP B 16 12.516 -14.603 -10.076 1.00 0.00 C ATOM 1095 CG ASP B 16 12.345 -15.476 -8.834 1.00 0.00 C ATOM 1096 OD1 ASP B 16 11.295 -15.334 -8.168 1.00 0.00 O ATOM 1097 OD2 ASP B 16 13.266 -16.277 -8.557 1.00 0.00 O ATOM 0 H ASP B 16 13.378 -12.197 -11.401 1.00 0.00 H new ATOM 0 HA ASP B 16 11.592 -12.878 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP B 16 11.724 -14.832 -10.789 1.00 0.00 H new ATOM 0 HB3 ASP B 16 13.462 -14.846 -10.560 1.00 0.00 H new ATOM 1102 N ASP B 17 14.513 -11.764 -9.357 1.00 0.00 N ATOM 1103 CA ASP B 17 15.741 -11.378 -8.668 1.00 0.00 C ATOM 1104 C ASP B 17 16.021 -9.875 -8.753 1.00 0.00 C ATOM 1105 O ASP B 17 17.057 -9.429 -8.262 1.00 0.00 O ATOM 1106 CB ASP B 17 16.922 -12.145 -9.272 1.00 0.00 C ATOM 1107 CG ASP B 17 16.789 -13.654 -9.082 1.00 0.00 C ATOM 1108 OD1 ASP B 17 17.093 -14.122 -7.961 1.00 0.00 O ATOM 1109 OD2 ASP B 17 16.387 -14.328 -10.056 1.00 0.00 O ATOM 0 H ASP B 17 14.348 -11.255 -10.225 1.00 0.00 H new ATOM 0 HA ASP B 17 15.612 -11.626 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP B 17 16.993 -11.920 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP B 17 17.849 -11.803 -8.811 1.00 0.00 H new ATOM 1114 N ILE B 18 15.129 -9.085 -9.362 1.00 0.00 N ATOM 1115 CA ILE B 18 15.388 -7.664 -9.568 1.00 0.00 C ATOM 1116 C ILE B 18 14.494 -6.816 -8.665 1.00 0.00 C ATOM 1117 O ILE B 18 13.354 -7.182 -8.384 1.00 0.00 O ATOM 1118 CB ILE B 18 15.182 -7.323 -11.051 1.00 0.00 C ATOM 1119 CG1 ILE B 18 16.148 -8.160 -11.901 1.00 0.00 C ATOM 1120 CG2 ILE B 18 15.410 -5.828 -11.295 1.00 0.00 C ATOM 1121 CD1 ILE B 18 15.923 -7.952 -13.399 1.00 0.00 C ATOM 0 H ILE B 18 14.229 -9.407 -9.717 1.00 0.00 H new ATOM 0 HA ILE B 18 16.420 -7.438 -9.299 1.00 0.00 H new ATOM 0 HB ILE B 18 14.156 -7.558 -11.335 1.00 0.00 H new ATOM 0 HG12 ILE B 18 17.175 -7.895 -11.649 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.022 -9.215 -11.659 1.00 0.00 H new ATOM 0 HG21 ILE B 18 15.260 -5.605 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE B 18 14.704 -5.250 -10.698 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.428 -5.564 -11.010 1.00 0.00 H new ATOM 0 HD11 ILE B 18 16.629 -8.564 -13.961 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.905 -8.242 -13.658 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.075 -6.902 -13.647 1.00 0.00 H new ATOM 1133 N THR B 19 15.022 -5.674 -8.209 1.00 0.00 N ATOM 1134 CA THR B 19 14.287 -4.720 -7.394 1.00 0.00 C ATOM 1135 C THR B 19 14.590 -3.312 -7.890 1.00 0.00 C ATOM 1136 O THR B 19 15.739 -2.996 -8.192 1.00 0.00 O ATOM 1137 CB THR B 19 14.692 -4.869 -5.925 1.00 0.00 C ATOM 1138 OG1 THR B 19 14.527 -6.205 -5.504 1.00 0.00 O ATOM 1139 CG2 THR B 19 13.848 -3.972 -5.022 1.00 0.00 C ATOM 0 H THR B 19 15.983 -5.390 -8.402 1.00 0.00 H new ATOM 0 HA THR B 19 13.217 -4.909 -7.475 1.00 0.00 H new ATOM 0 HB THR B 19 15.739 -4.575 -5.847 1.00 0.00 H new ATOM 0 HG1 THR B 19 14.791 -6.287 -4.564 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.161 -4.101 -3.986 1.00 0.00 H new ATOM 0 HG22 THR B 19 13.983 -2.931 -5.314 1.00 0.00 H new ATOM 0 HG23 THR B 19 12.797 -4.243 -5.120 1.00 0.00 H new ATOM 1147 N ILE B 20 13.562 -2.465 -7.973 1.00 0.00 N ATOM 1148 CA ILE B 20 13.693 -1.102 -8.469 1.00 0.00 C ATOM 1149 C ILE B 20 13.251 -0.131 -7.375 1.00 0.00 C ATOM 1150 O ILE B 20 12.069 0.182 -7.251 1.00 0.00 O ATOM 1151 CB ILE B 20 12.880 -0.915 -9.758 1.00 0.00 C ATOM 1152 CG1 ILE B 20 13.087 -2.048 -10.775 1.00 0.00 C ATOM 1153 CG2 ILE B 20 13.226 0.435 -10.389 1.00 0.00 C ATOM 1154 CD1 ILE B 20 14.528 -2.170 -11.269 1.00 0.00 C ATOM 0 H ILE B 20 12.612 -2.711 -7.695 1.00 0.00 H new ATOM 0 HA ILE B 20 14.734 -0.897 -8.718 1.00 0.00 H new ATOM 0 HB ILE B 20 11.826 -0.943 -9.480 1.00 0.00 H new ATOM 0 HG12 ILE B 20 12.786 -2.992 -10.321 1.00 0.00 H new ATOM 0 HG13 ILE B 20 12.431 -1.882 -11.630 1.00 0.00 H new ATOM 0 HG21 ILE B 20 12.649 0.568 -11.304 1.00 0.00 H new ATOM 0 HG22 ILE B 20 12.986 1.236 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE B 20 14.290 0.465 -10.624 1.00 0.00 H new ATOM 0 HD11 ILE B 20 14.599 -2.990 -11.984 1.00 0.00 H new ATOM 0 HD12 ILE B 20 14.827 -1.240 -11.753 1.00 0.00 H new ATOM 0 HD13 ILE B 20 15.187 -2.367 -10.423 1.00 0.00 H new ATOM 1166 N THR B 21 14.210 0.343 -6.577 1.00 0.00 N ATOM 1167 CA THR B 21 13.940 1.243 -5.462 1.00 0.00 C ATOM 1168 C THR B 21 13.986 2.697 -5.922 1.00 0.00 C ATOM 1169 O THR B 21 15.025 3.174 -6.373 1.00 0.00 O ATOM 1170 CB THR B 21 14.969 1.006 -4.356 1.00 0.00 C ATOM 1171 OG1 THR B 21 14.944 -0.354 -3.980 1.00 0.00 O ATOM 1172 CG2 THR B 21 14.646 1.850 -3.123 1.00 0.00 C ATOM 0 H THR B 21 15.197 0.111 -6.689 1.00 0.00 H new ATOM 0 HA THR B 21 12.941 1.040 -5.076 1.00 0.00 H new ATOM 0 HB THR B 21 15.951 1.285 -4.737 1.00 0.00 H new ATOM 0 HG1 THR B 21 14.101 -0.551 -3.521 1.00 0.00 H new ATOM 0 HG21 THR B 21 15.391 1.665 -2.350 1.00 0.00 H new ATOM 0 HG22 THR B 21 14.657 2.906 -3.392 1.00 0.00 H new ATOM 0 HG23 THR B 21 13.659 1.582 -2.747 1.00 0.00 H new ATOM 1180 N ILE B 22 12.860 3.407 -5.807 1.00 0.00 N ATOM 1181 CA ILE B 22 12.802 4.830 -6.115 1.00 0.00 C ATOM 1182 C ILE B 22 13.470 5.592 -4.970 1.00 0.00 C ATOM 1183 O ILE B 22 12.923 5.667 -3.870 1.00 0.00 O ATOM 1184 CB ILE B 22 11.345 5.260 -6.367 1.00 0.00 C ATOM 1185 CG1 ILE B 22 11.208 6.784 -6.433 1.00 0.00 C ATOM 1186 CG2 ILE B 22 10.376 4.728 -5.308 1.00 0.00 C ATOM 1187 CD1 ILE B 22 11.986 7.363 -7.614 1.00 0.00 C ATOM 0 H ILE B 22 11.972 3.011 -5.500 1.00 0.00 H new ATOM 0 HA ILE B 22 13.343 5.059 -7.033 1.00 0.00 H new ATOM 0 HB ILE B 22 11.080 4.823 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE B 22 10.155 7.053 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE B 22 11.572 7.224 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.365 5.064 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE B 22 10.404 3.638 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.668 5.103 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE B 22 11.868 8.446 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE B 22 13.042 7.115 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE B 22 11.604 6.941 -8.543 1.00 0.00 H new ATOM 1199 N LEU B 23 14.654 6.164 -5.211 1.00 0.00 N ATOM 1200 CA LEU B 23 15.416 6.800 -4.146 1.00 0.00 C ATOM 1201 C LEU B 23 14.799 8.151 -3.796 1.00 0.00 C ATOM 1202 O LEU B 23 14.876 8.584 -2.647 1.00 0.00 O ATOM 1203 CB LEU B 23 16.883 6.971 -4.552 1.00 0.00 C ATOM 1204 CG LEU B 23 17.525 5.670 -5.049 1.00 0.00 C ATOM 1205 CD1 LEU B 23 19.037 5.867 -5.125 1.00 0.00 C ATOM 1206 CD2 LEU B 23 17.247 4.495 -4.113 1.00 0.00 C ATOM 0 H LEU B 23 15.098 6.197 -6.129 1.00 0.00 H new ATOM 0 HA LEU B 23 15.382 6.158 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU B 23 16.951 7.725 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU B 23 17.449 7.346 -3.699 1.00 0.00 H new ATOM 0 HG LEU B 23 17.096 5.441 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU B 23 19.506 4.948 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU B 23 19.264 6.679 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU B 23 19.422 6.115 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.722 3.596 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.649 4.715 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU B 23 16.171 4.335 -4.040 1.00 0.00 H new ATOM 1218 N GLY B 24 14.189 8.814 -4.782 1.00 0.00 N ATOM 1219 CA GLY B 24 13.387 9.997 -4.526 1.00 0.00 C ATOM 1220 C GLY B 24 13.407 11.010 -5.662 1.00 0.00 C ATOM 1221 O GLY B 24 14.059 10.810 -6.686 1.00 0.00 O ATOM 0 H GLY B 24 14.240 8.545 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY B 24 12.357 9.693 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY B 24 13.746 10.478 -3.616 1.00 0.00 H new ATOM 1225 N VAL B 25 12.675 12.107 -5.456 1.00 0.00 N ATOM 1226 CA VAL B 25 12.522 13.164 -6.443 1.00 0.00 C ATOM 1227 C VAL B 25 13.833 13.917 -6.654 1.00 0.00 C ATOM 1228 O VAL B 25 14.722 13.887 -5.805 1.00 0.00 O ATOM 1229 CB VAL B 25 11.414 14.133 -6.005 1.00 0.00 C ATOM 1230 CG1 VAL B 25 10.113 13.379 -5.726 1.00 0.00 C ATOM 1231 CG2 VAL B 25 11.805 14.905 -4.743 1.00 0.00 C ATOM 0 H VAL B 25 12.169 12.283 -4.588 1.00 0.00 H new ATOM 0 HA VAL B 25 12.243 12.707 -7.392 1.00 0.00 H new ATOM 0 HB VAL B 25 11.271 14.837 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.342 14.085 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL B 25 9.791 12.862 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL B 25 10.277 12.651 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.996 15.580 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL B 25 11.989 14.203 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL B 25 12.709 15.482 -4.935 1.00 0.00 H new ATOM 1241 N SER B 26 13.937 14.595 -7.800 1.00 0.00 N ATOM 1242 CA SER B 26 15.094 15.399 -8.173 1.00 0.00 C ATOM 1243 C SER B 26 14.640 16.560 -9.059 1.00 0.00 C ATOM 1244 O SER B 26 15.349 16.966 -9.979 1.00 0.00 O ATOM 1245 CB SER B 26 16.124 14.524 -8.893 1.00 0.00 C ATOM 1246 OG SER B 26 16.583 13.488 -8.049 1.00 0.00 O ATOM 0 H SER B 26 13.201 14.598 -8.506 1.00 0.00 H new ATOM 0 HA SER B 26 15.565 15.809 -7.279 1.00 0.00 H new ATOM 0 HB2 SER B 26 15.679 14.096 -9.792 1.00 0.00 H new ATOM 0 HB3 SER B 26 16.966 15.137 -9.215 1.00 0.00 H new ATOM 0 HG SER B 26 17.239 12.941 -8.530 1.00 0.00 H new ATOM 1252 N GLY B 27 13.447 17.098 -8.780 1.00 0.00 N ATOM 1253 CA GLY B 27 12.859 18.175 -9.561 1.00 0.00 C ATOM 1254 C GLY B 27 12.238 17.607 -10.830 1.00 0.00 C ATOM 1255 O GLY B 27 11.412 16.698 -10.759 1.00 0.00 O ATOM 0 H GLY B 27 12.865 16.792 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY B 27 12.101 18.692 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY B 27 13.621 18.911 -9.815 1.00 0.00 H new ATOM 1259 N GLN B 28 12.631 18.136 -11.991 1.00 0.00 N ATOM 1260 CA GLN B 28 12.206 17.580 -13.266 1.00 0.00 C ATOM 1261 C GLN B 28 12.876 16.218 -13.484 1.00 0.00 C ATOM 1262 O GLN B 28 12.568 15.519 -14.450 1.00 0.00 O ATOM 1263 CB GLN B 28 12.563 18.563 -14.387 1.00 0.00 C ATOM 1264 CG GLN B 28 11.817 18.263 -15.691 1.00 0.00 C ATOM 1265 CD GLN B 28 10.318 18.491 -15.536 1.00 0.00 C ATOM 1266 OE1 GLN B 28 9.849 19.626 -15.552 1.00 0.00 O ATOM 1267 NE2 GLN B 28 9.551 17.414 -15.386 1.00 0.00 N ATOM 0 H GLN B 28 13.243 18.948 -12.069 1.00 0.00 H new ATOM 0 HA GLN B 28 11.127 17.428 -13.270 1.00 0.00 H new ATOM 0 HB2 GLN B 28 12.330 19.578 -14.064 1.00 0.00 H new ATOM 0 HB3 GLN B 28 13.637 18.526 -14.570 1.00 0.00 H new ATOM 0 HG2 GLN B 28 12.203 18.898 -16.488 1.00 0.00 H new ATOM 0 HG3 GLN B 28 12.001 17.231 -15.989 1.00 0.00 H new ATOM 0 HE21 GLN B 28 9.972 16.485 -15.377 1.00 0.00 H new ATOM 0 HE22 GLN B 28 8.542 17.517 -15.280 1.00 0.00 H new ATOM 1276 N GLN B 29 13.793 15.841 -12.587 1.00 0.00 N ATOM 1277 CA GLN B 29 14.498 14.575 -12.664 1.00 0.00 C ATOM 1278 C GLN B 29 14.000 13.616 -11.583 1.00 0.00 C ATOM 1279 O GLN B 29 13.258 14.015 -10.686 1.00 0.00 O ATOM 1280 CB GLN B 29 16.007 14.810 -12.533 1.00 0.00 C ATOM 1281 CG GLN B 29 16.495 15.959 -13.417 1.00 0.00 C ATOM 1282 CD GLN B 29 18.008 16.063 -13.363 1.00 0.00 C ATOM 1283 OE1 GLN B 29 18.705 15.669 -14.294 1.00 0.00 O ATOM 1284 NE2 GLN B 29 18.537 16.596 -12.269 1.00 0.00 N ATOM 0 H GLN B 29 14.062 16.414 -11.787 1.00 0.00 H new ATOM 0 HA GLN B 29 14.300 14.118 -13.634 1.00 0.00 H new ATOM 0 HB2 GLN B 29 16.250 15.027 -11.493 1.00 0.00 H new ATOM 0 HB3 GLN B 29 16.539 13.897 -12.801 1.00 0.00 H new ATOM 0 HG2 GLN B 29 16.172 15.797 -14.445 1.00 0.00 H new ATOM 0 HG3 GLN B 29 16.048 16.896 -13.086 1.00 0.00 H new ATOM 0 HE21 GLN B 29 17.931 16.914 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN B 29 19.549 16.688 -12.185 1.00 0.00 H new ATOM 1293 N VAL B 30 14.411 12.348 -11.670 1.00 0.00 N ATOM 1294 CA VAL B 30 14.015 11.299 -10.738 1.00 0.00 C ATOM 1295 C VAL B 30 15.171 10.323 -10.543 1.00 0.00 C ATOM 1296 O VAL B 30 15.662 9.751 -11.515 1.00 0.00 O ATOM 1297 CB VAL B 30 12.795 10.553 -11.291 1.00 0.00 C ATOM 1298 CG1 VAL B 30 12.415 9.398 -10.365 1.00 0.00 C ATOM 1299 CG2 VAL B 30 11.585 11.481 -11.414 1.00 0.00 C ATOM 0 H VAL B 30 15.039 12.020 -12.404 1.00 0.00 H new ATOM 0 HA VAL B 30 13.758 11.747 -9.778 1.00 0.00 H new ATOM 0 HB VAL B 30 13.066 10.177 -12.278 1.00 0.00 H new ATOM 0 HG11 VAL B 30 11.547 8.877 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL B 30 13.251 8.703 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL B 30 12.175 9.788 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL B 30 10.737 10.922 -11.809 1.00 0.00 H new ATOM 0 HG22 VAL B 30 11.331 11.880 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL B 30 11.824 12.303 -12.089 1.00 0.00 H new ATOM 1309 N ARG B 31 15.609 10.126 -9.295 1.00 0.00 N ATOM 1310 CA ARG B 31 16.681 9.188 -8.995 1.00 0.00 C ATOM 1311 C ARG B 31 16.116 7.826 -8.614 1.00 0.00 C ATOM 1312 O ARG B 31 15.466 7.682 -7.577 1.00 0.00 O ATOM 1313 CB ARG B 31 17.580 9.732 -7.886 1.00 0.00 C ATOM 1314 CG ARG B 31 18.737 8.759 -7.656 1.00 0.00 C ATOM 1315 CD ARG B 31 19.797 9.394 -6.760 1.00 0.00 C ATOM 1316 NE ARG B 31 20.483 10.473 -7.480 1.00 0.00 N ATOM 1317 CZ ARG B 31 21.639 11.045 -7.126 1.00 0.00 C ATOM 1318 NH1 ARG B 31 22.296 10.672 -6.030 1.00 0.00 N ATOM 1319 NH2 ARG B 31 22.147 12.009 -7.888 1.00 0.00 N ATOM 0 H ARG B 31 15.233 10.608 -8.479 1.00 0.00 H new ATOM 0 HA ARG B 31 17.286 9.064 -9.893 1.00 0.00 H new ATOM 0 HB2 ARG B 31 17.964 10.714 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG B 31 17.008 9.860 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG B 31 18.365 7.843 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG B 31 19.180 8.479 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG B 31 19.332 9.787 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG B 31 20.518 8.640 -6.446 1.00 0.00 H new ATOM 0 HE ARG B 31 20.037 10.819 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG B 31 21.920 9.933 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG B 31 23.176 11.125 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG B 31 21.656 12.304 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG B 31 23.028 12.453 -7.629 1.00 0.00 H new ATOM 1333 N ILE B 32 16.375 6.833 -9.468 1.00 0.00 N ATOM 1334 CA ILE B 32 15.964 5.450 -9.265 1.00 0.00 C ATOM 1335 C ILE B 32 17.206 4.593 -9.013 1.00 0.00 C ATOM 1336 O ILE B 32 18.296 4.922 -9.477 1.00 0.00 O ATOM 1337 CB ILE B 32 15.186 4.965 -10.500 1.00 0.00 C ATOM 1338 CG1 ILE B 32 14.034 5.932 -10.809 1.00 0.00 C ATOM 1339 CG2 ILE B 32 14.643 3.554 -10.264 1.00 0.00 C ATOM 1340 CD1 ILE B 32 13.261 5.535 -12.067 1.00 0.00 C ATOM 0 H ILE B 32 16.888 6.976 -10.338 1.00 0.00 H new ATOM 0 HA ILE B 32 15.308 5.368 -8.398 1.00 0.00 H new ATOM 0 HB ILE B 32 15.863 4.939 -11.354 1.00 0.00 H new ATOM 0 HG12 ILE B 32 13.351 5.962 -9.960 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.432 6.939 -10.933 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.094 3.223 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.472 2.872 -10.075 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.975 3.561 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE B 32 12.457 6.251 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE B 32 13.936 5.532 -12.923 1.00 0.00 H new ATOM 0 HD13 ILE B 32 12.838 4.539 -11.935 1.00 0.00 H new ATOM 1352 N GLY B 33 17.039 3.491 -8.278 1.00 0.00 N ATOM 1353 CA GLY B 33 18.110 2.562 -7.953 1.00 0.00 C ATOM 1354 C GLY B 33 17.775 1.170 -8.475 1.00 0.00 C ATOM 1355 O GLY B 33 16.999 0.442 -7.857 1.00 0.00 O ATOM 0 H GLY B 33 16.137 3.219 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY B 33 19.046 2.907 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY B 33 18.257 2.528 -6.873 1.00 0.00 H new ATOM 1359 N ILE B 34 18.360 0.799 -9.617 1.00 0.00 N ATOM 1360 CA ILE B 34 18.116 -0.495 -10.234 1.00 0.00 C ATOM 1361 C ILE B 34 19.000 -1.545 -9.570 1.00 0.00 C ATOM 1362 O ILE B 34 20.208 -1.582 -9.799 1.00 0.00 O ATOM 1363 CB ILE B 34 18.384 -0.447 -11.743 1.00 0.00 C ATOM 1364 CG1 ILE B 34 17.412 0.490 -12.474 1.00 0.00 C ATOM 1365 CG2 ILE B 34 18.193 -1.858 -12.307 1.00 0.00 C ATOM 1366 CD1 ILE B 34 17.817 1.963 -12.385 1.00 0.00 C ATOM 0 H ILE B 34 19.013 1.389 -10.133 1.00 0.00 H new ATOM 0 HA ILE B 34 17.068 -0.759 -10.093 1.00 0.00 H new ATOM 0 HB ILE B 34 19.397 -0.075 -11.895 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.354 0.198 -13.523 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.414 0.368 -12.054 1.00 0.00 H new ATOM 0 HG21 ILE B 34 18.379 -1.849 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.892 -2.541 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.172 -2.190 -12.118 1.00 0.00 H new ATOM 0 HD11 ILE B 34 17.090 2.573 -12.921 1.00 0.00 H new ATOM 0 HD12 ILE B 34 17.847 2.270 -11.339 1.00 0.00 H new ATOM 0 HD13 ILE B 34 18.803 2.097 -12.831 1.00 0.00 H new ATOM 1378 N ASN B 35 18.396 -2.400 -8.744 1.00 0.00 N ATOM 1379 CA ASN B 35 19.110 -3.461 -8.059 1.00 0.00 C ATOM 1380 C ASN B 35 18.896 -4.785 -8.779 1.00 0.00 C ATOM 1381 O ASN B 35 17.825 -5.384 -8.703 1.00 0.00 O ATOM 1382 CB ASN B 35 18.644 -3.551 -6.611 1.00 0.00 C ATOM 1383 CG ASN B 35 19.483 -4.548 -5.825 1.00 0.00 C ATOM 1384 OD1 ASN B 35 20.710 -4.481 -5.838 1.00 0.00 O ATOM 1385 ND2 ASN B 35 18.832 -5.480 -5.135 1.00 0.00 N ATOM 0 H ASN B 35 17.398 -2.371 -8.536 1.00 0.00 H new ATOM 0 HA ASN B 35 20.177 -3.237 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN B 35 18.709 -2.569 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN B 35 17.596 -3.850 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN B 35 19.352 -6.170 -4.593 1.00 0.00 H new ATOM 0 HD22 ASN B 35 17.812 -5.505 -5.148 1.00 0.00 H new ATOM 1392 N ALA B 36 19.936 -5.229 -9.477 1.00 0.00 N ATOM 1393 CA ALA B 36 19.924 -6.470 -10.231 1.00 0.00 C ATOM 1394 C ALA B 36 21.300 -7.130 -10.161 1.00 0.00 C ATOM 1395 O ALA B 36 22.310 -6.436 -10.031 1.00 0.00 O ATOM 1396 CB ALA B 36 19.552 -6.156 -11.680 1.00 0.00 C ATOM 0 H ALA B 36 20.822 -4.727 -9.533 1.00 0.00 H new ATOM 0 HA ALA B 36 19.193 -7.160 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA B 36 19.539 -7.079 -12.260 1.00 0.00 H new ATOM 0 HB2 ALA B 36 18.565 -5.694 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA B 36 20.287 -5.471 -12.104 1.00 0.00 H new ATOM 1402 N PRO B 37 21.357 -8.464 -10.247 1.00 0.00 N ATOM 1403 CA PRO B 37 22.604 -9.205 -10.241 1.00 0.00 C ATOM 1404 C PRO B 37 23.306 -9.057 -11.586 1.00 0.00 C ATOM 1405 O PRO B 37 22.689 -8.674 -12.578 1.00 0.00 O ATOM 1406 CB PRO B 37 22.190 -10.656 -9.993 1.00 0.00 C ATOM 1407 CG PRO B 37 20.814 -10.734 -10.649 1.00 0.00 C ATOM 1408 CD PRO B 37 20.219 -9.358 -10.354 1.00 0.00 C ATOM 0 HA PRO B 37 23.304 -8.849 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO B 37 22.892 -11.359 -10.442 1.00 0.00 H new ATOM 0 HB3 PRO B 37 22.144 -10.887 -8.929 1.00 0.00 H new ATOM 0 HG2 PRO B 37 20.887 -10.922 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO B 37 20.209 -11.535 -10.225 1.00 0.00 H new ATOM 0 HD2 PRO B 37 19.544 -9.042 -11.150 1.00 0.00 H new ATOM 0 HD3 PRO B 37 19.640 -9.370 -9.431 1.00 0.00 H new ATOM 1416 N LYS B 38 24.607 -9.360 -11.624 1.00 0.00 N ATOM 1417 CA LYS B 38 25.394 -9.301 -12.850 1.00 0.00 C ATOM 1418 C LYS B 38 24.967 -10.383 -13.844 1.00 0.00 C ATOM 1419 O LYS B 38 25.519 -10.466 -14.939 1.00 0.00 O ATOM 1420 CB LYS B 38 26.878 -9.415 -12.499 1.00 0.00 C ATOM 1421 CG LYS B 38 27.390 -8.110 -11.879 1.00 0.00 C ATOM 1422 CD LYS B 38 27.636 -7.058 -12.962 1.00 0.00 C ATOM 1423 CE LYS B 38 28.208 -5.799 -12.317 1.00 0.00 C ATOM 1424 NZ LYS B 38 28.561 -4.788 -13.331 1.00 0.00 N ATOM 0 H LYS B 38 25.140 -9.652 -10.805 1.00 0.00 H new ATOM 0 HA LYS B 38 25.217 -8.343 -13.340 1.00 0.00 H new ATOM 0 HB2 LYS B 38 27.030 -10.239 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS B 38 27.452 -9.647 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.664 -7.734 -11.158 1.00 0.00 H new ATOM 0 HG3 LYS B 38 28.314 -8.299 -11.332 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.328 -7.444 -13.711 1.00 0.00 H new ATOM 0 HD3 LYS B 38 26.705 -6.826 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS B 38 27.479 -5.381 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.092 -6.056 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 28.947 -3.945 -12.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.274 -5.180 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 27.711 -4.525 -13.870 1.00 0.00 H new ATOM 1438 N ASP B 39 23.987 -11.214 -13.471 1.00 0.00 N ATOM 1439 CA ASP B 39 23.410 -12.212 -14.360 1.00 0.00 C ATOM 1440 C ASP B 39 22.612 -11.540 -15.478 1.00 0.00 C ATOM 1441 O ASP B 39 22.278 -12.178 -16.475 1.00 0.00 O ATOM 1442 CB ASP B 39 22.478 -13.113 -13.548 1.00 0.00 C ATOM 1443 CG ASP B 39 21.997 -14.308 -14.366 1.00 0.00 C ATOM 1444 OD1 ASP B 39 22.865 -15.101 -14.794 1.00 0.00 O ATOM 1445 OD2 ASP B 39 20.765 -14.421 -14.558 1.00 0.00 O ATOM 0 H ASP B 39 23.574 -11.208 -12.538 1.00 0.00 H new ATOM 0 HA ASP B 39 24.213 -12.797 -14.808 1.00 0.00 H new ATOM 0 HB2 ASP B 39 22.998 -13.467 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP B 39 21.619 -12.535 -13.207 1.00 0.00 H new ATOM 1450 N VAL B 40 22.308 -10.248 -15.307 1.00 0.00 N ATOM 1451 CA VAL B 40 21.539 -9.467 -16.262 1.00 0.00 C ATOM 1452 C VAL B 40 22.214 -8.118 -16.478 1.00 0.00 C ATOM 1453 O VAL B 40 23.166 -7.775 -15.774 1.00 0.00 O ATOM 1454 CB VAL B 40 20.094 -9.298 -15.767 1.00 0.00 C ATOM 1455 CG1 VAL B 40 19.469 -10.660 -15.460 1.00 0.00 C ATOM 1456 CG2 VAL B 40 20.025 -8.452 -14.496 1.00 0.00 C ATOM 0 H VAL B 40 22.597 -9.715 -14.487 1.00 0.00 H new ATOM 0 HA VAL B 40 21.503 -9.990 -17.218 1.00 0.00 H new ATOM 0 HB VAL B 40 19.547 -8.796 -16.565 1.00 0.00 H new ATOM 0 HG11 VAL B 40 18.446 -10.520 -15.111 1.00 0.00 H new ATOM 0 HG12 VAL B 40 19.464 -11.270 -16.363 1.00 0.00 H new ATOM 0 HG13 VAL B 40 20.051 -11.161 -14.687 1.00 0.00 H new ATOM 0 HG21 VAL B 40 18.987 -8.356 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL B 40 20.603 -8.933 -13.707 1.00 0.00 H new ATOM 0 HG23 VAL B 40 20.436 -7.462 -14.695 1.00 0.00 H new ATOM 1466 N ALA B 41 21.728 -7.345 -17.450 1.00 0.00 N ATOM 1467 CA ALA B 41 22.316 -6.055 -17.768 1.00 0.00 C ATOM 1468 C ALA B 41 21.319 -4.927 -17.523 1.00 0.00 C ATOM 1469 O ALA B 41 20.108 -5.146 -17.512 1.00 0.00 O ATOM 1470 CB ALA B 41 22.793 -6.067 -19.220 1.00 0.00 C ATOM 0 H ALA B 41 20.926 -7.596 -18.029 1.00 0.00 H new ATOM 0 HA ALA B 41 23.170 -5.876 -17.115 1.00 0.00 H new ATOM 0 HB1 ALA B 41 23.236 -5.102 -19.466 1.00 0.00 H new ATOM 0 HB2 ALA B 41 23.538 -6.852 -19.352 1.00 0.00 H new ATOM 0 HB3 ALA B 41 21.946 -6.256 -19.880 1.00 0.00 H new ATOM 1476 N VAL B 42 21.847 -3.717 -17.328 1.00 0.00 N ATOM 1477 CA VAL B 42 21.053 -2.519 -17.111 1.00 0.00 C ATOM 1478 C VAL B 42 21.797 -1.312 -17.671 1.00 0.00 C ATOM 1479 O VAL B 42 22.947 -1.055 -17.322 1.00 0.00 O ATOM 1480 CB VAL B 42 20.721 -2.341 -15.621 1.00 0.00 C ATOM 1481 CG1 VAL B 42 21.892 -2.711 -14.715 1.00 0.00 C ATOM 1482 CG2 VAL B 42 20.289 -0.901 -15.334 1.00 0.00 C ATOM 0 H VAL B 42 22.852 -3.546 -17.317 1.00 0.00 H new ATOM 0 HA VAL B 42 20.103 -2.616 -17.637 1.00 0.00 H new ATOM 0 HB VAL B 42 19.900 -3.023 -15.400 1.00 0.00 H new ATOM 0 HG11 VAL B 42 21.605 -2.568 -13.673 1.00 0.00 H new ATOM 0 HG12 VAL B 42 22.162 -3.755 -14.877 1.00 0.00 H new ATOM 0 HG13 VAL B 42 22.747 -2.075 -14.947 1.00 0.00 H new ATOM 0 HG21 VAL B 42 20.058 -0.795 -14.274 1.00 0.00 H new ATOM 0 HG22 VAL B 42 21.097 -0.219 -15.600 1.00 0.00 H new ATOM 0 HG23 VAL B 42 19.404 -0.662 -15.924 1.00 0.00 H new ATOM 1492 N HIS B 43 21.117 -0.573 -18.549 1.00 0.00 N ATOM 1493 CA HIS B 43 21.632 0.643 -19.159 1.00 0.00 C ATOM 1494 C HIS B 43 20.502 1.663 -19.284 1.00 0.00 C ATOM 1495 O HIS B 43 19.345 1.340 -19.016 1.00 0.00 O ATOM 1496 CB HIS B 43 22.246 0.315 -20.525 1.00 0.00 C ATOM 1497 CG HIS B 43 23.469 -0.561 -20.416 1.00 0.00 C ATOM 1498 ND1 HIS B 43 24.778 -0.134 -20.452 1.00 0.00 N ATOM 1499 CD2 HIS B 43 23.477 -1.920 -20.259 1.00 0.00 C ATOM 1500 CE1 HIS B 43 25.557 -1.215 -20.270 1.00 0.00 C ATOM 1501 NE2 HIS B 43 24.812 -2.328 -20.166 1.00 0.00 N ATOM 0 H HIS B 43 20.175 -0.812 -18.859 1.00 0.00 H new ATOM 0 HA HIS B 43 22.414 1.074 -18.534 1.00 0.00 H new ATOM 0 HB2 HIS B 43 21.500 -0.184 -21.144 1.00 0.00 H new ATOM 0 HB3 HIS B 43 22.512 1.243 -21.032 1.00 0.00 H new ATOM 0 HD2 HIS B 43 22.610 -2.562 -20.215 1.00 0.00 H new ATOM 0 HE1 HIS B 43 26.635 -1.192 -20.215 1.00 0.00 H new ATOM 0 HE2 HIS B 43 25.152 -3.282 -20.043 1.00 0.00 H new ATOM 1509 N ARG B 44 20.827 2.894 -19.689 1.00 0.00 N ATOM 1510 CA ARG B 44 19.835 3.956 -19.819 1.00 0.00 C ATOM 1511 C ARG B 44 19.737 4.453 -21.257 1.00 0.00 C ATOM 1512 O ARG B 44 20.603 4.164 -22.076 1.00 0.00 O ATOM 1513 CB ARG B 44 20.073 5.055 -18.771 1.00 0.00 C ATOM 1514 CG ARG B 44 21.522 5.298 -18.339 1.00 0.00 C ATOM 1515 CD ARG B 44 22.347 5.949 -19.439 1.00 0.00 C ATOM 1516 NE ARG B 44 22.292 7.411 -19.362 1.00 0.00 N ATOM 1517 CZ ARG B 44 23.147 8.177 -18.677 1.00 0.00 C ATOM 1518 NH1 ARG B 44 24.119 7.638 -17.948 1.00 0.00 N ATOM 1519 NH2 ARG B 44 23.028 9.500 -18.722 1.00 0.00 N ATOM 0 H ARG B 44 21.776 3.177 -19.933 1.00 0.00 H new ATOM 0 HA ARG B 44 18.846 3.554 -19.598 1.00 0.00 H new ATOM 0 HB2 ARG B 44 19.675 5.990 -19.164 1.00 0.00 H new ATOM 0 HB3 ARG B 44 19.491 4.809 -17.883 1.00 0.00 H new ATOM 0 HG2 ARG B 44 21.534 5.934 -17.454 1.00 0.00 H new ATOM 0 HG3 ARG B 44 21.979 4.350 -18.057 1.00 0.00 H new ATOM 0 HD2 ARG B 44 23.383 5.619 -19.361 1.00 0.00 H new ATOM 0 HD3 ARG B 44 21.980 5.621 -20.412 1.00 0.00 H new ATOM 0 HE ARG B 44 21.543 7.881 -19.871 1.00 0.00 H new ATOM 0 HH11 ARG B 44 24.222 6.624 -17.905 1.00 0.00 H new ATOM 0 HH12 ARG B 44 24.762 8.238 -17.432 1.00 0.00 H new ATOM 0 HH21 ARG B 44 22.287 9.927 -19.278 1.00 0.00 H new ATOM 0 HH22 ARG B 44 23.678 10.089 -18.201 1.00 0.00 H new