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: A 1 MET N :NH3+ -155:sc= 0.0498 (180deg=0) USER MOD Set 1.2: B 35 ASN : amide:sc= 0.0451 K(o=0.095,f=-3!) USER MOD Set 2.1: B 13 ASN : amide:sc= 0.0332 K(o=0.033,f=1.2) USER MOD Set 2.2: B 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 11 SER OG : rot 180:sc= 0.0488 USER MOD Set 3.2: B 21 THR OG1 : rot -74:sc= 0.0502 USER MOD Set 4.1: A 35 ASN : amide:sc= 0 K(o=0.041,f=-1.8!) USER MOD Set 4.2: B 1 MET N :NH3+ 132:sc= 0.0414 (180deg=0) USER MOD Set 5.1: A 13 ASN : amide:sc=-0.00679 K(o=-0.0068,f=0.89) USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.178 (180deg=-0.178) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00342 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0371 (180deg=-0.296) USER MOD Single : A 43 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.46) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc= -0.524 (180deg=-0.646) USER MOD Single : B 5 THR OG1 : rot 110:sc= 0.676 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= -0.414 X(o=-0.41,f=-0.15) USER MOD Single : B 29 GLN : amide:sc= -1.48! C(o=-1.5!,f=-3.1!) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.537 -2.476 -6.636 1.00 0.00 N ATOM 2 CA MET A 1 22.529 -1.618 -7.286 1.00 0.00 C ATOM 3 C MET A 1 23.200 -0.607 -8.204 1.00 0.00 C ATOM 4 O MET A 1 24.303 -0.150 -7.913 1.00 0.00 O ATOM 5 CB MET A 1 21.675 -0.908 -6.229 1.00 0.00 C ATOM 6 CG MET A 1 20.550 -0.091 -6.860 1.00 0.00 C ATOM 7 SD MET A 1 19.196 0.329 -5.728 1.00 0.00 S ATOM 8 CE MET A 1 20.114 1.171 -4.411 1.00 0.00 C ATOM 0 H1 MET A 1 23.102 -3.383 -6.372 1.00 0.00 H new ATOM 0 H2 MET A 1 24.323 -2.648 -7.294 1.00 0.00 H new ATOM 0 H3 MET A 1 23.897 -2.003 -5.783 1.00 0.00 H new ATOM 0 HA MET A 1 21.876 -2.246 -7.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.250 -1.647 -5.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.308 -0.253 -5.631 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.970 0.831 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.142 -0.649 -7.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.421 1.493 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.847 0.487 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.627 2.040 -4.823 1.00 0.00 H new ATOM 20 N LEU A 2 22.535 -0.259 -9.311 1.00 0.00 N ATOM 21 CA LEU A 2 23.012 0.745 -10.248 1.00 0.00 C ATOM 22 C LEU A 2 22.061 1.937 -10.192 1.00 0.00 C ATOM 23 O LEU A 2 20.998 1.928 -10.811 1.00 0.00 O ATOM 24 CB LEU A 2 23.079 0.157 -11.664 1.00 0.00 C ATOM 25 CG LEU A 2 24.130 0.818 -12.570 1.00 0.00 C ATOM 26 CD1 LEU A 2 23.666 0.809 -14.019 1.00 0.00 C ATOM 27 CD2 LEU A 2 24.492 2.251 -12.207 1.00 0.00 C ATOM 0 H LEU A 2 21.643 -0.675 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 2 24.018 1.069 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 2 23.295 -0.909 -11.593 1.00 0.00 H new ATOM 0 HB3 LEU A 2 22.099 0.253 -12.132 1.00 0.00 H new ATOM 0 HG LEU A 2 25.026 0.215 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 2 24.422 1.281 -14.646 1.00 0.00 H new ATOM 0 HD12 LEU A 2 23.514 -0.220 -14.346 1.00 0.00 H new ATOM 0 HD13 LEU A 2 22.729 1.359 -14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 25.240 2.625 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 2 23.601 2.876 -12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 2 24.895 2.279 -11.195 1.00 0.00 H new ATOM 39 N ILE A 3 22.444 2.970 -9.444 1.00 0.00 N ATOM 40 CA ILE A 3 21.616 4.148 -9.269 1.00 0.00 C ATOM 41 C ILE A 3 21.810 5.087 -10.456 1.00 0.00 C ATOM 42 O ILE A 3 22.901 5.168 -11.018 1.00 0.00 O ATOM 43 CB ILE A 3 21.980 4.835 -7.947 1.00 0.00 C ATOM 44 CG1 ILE A 3 21.723 3.899 -6.757 1.00 0.00 C ATOM 45 CG2 ILE A 3 21.123 6.090 -7.763 1.00 0.00 C ATOM 46 CD1 ILE A 3 22.926 3.013 -6.432 1.00 0.00 C ATOM 0 H ILE A 3 23.334 3.008 -8.947 1.00 0.00 H new ATOM 0 HA ILE A 3 20.564 3.865 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 3 23.038 5.096 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 3 21.468 4.494 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.861 3.268 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.385 6.575 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.304 6.778 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 3 20.069 5.812 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.687 2.373 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 3 23.167 2.395 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.783 3.639 -6.184 1.00 0.00 H new ATOM 58 N LEU A 4 20.745 5.796 -10.834 1.00 0.00 N ATOM 59 CA LEU A 4 20.761 6.756 -11.926 1.00 0.00 C ATOM 60 C LEU A 4 19.869 7.941 -11.562 1.00 0.00 C ATOM 61 O LEU A 4 19.069 7.854 -10.631 1.00 0.00 O ATOM 62 CB LEU A 4 20.223 6.091 -13.201 1.00 0.00 C ATOM 63 CG LEU A 4 21.106 4.947 -13.712 1.00 0.00 C ATOM 64 CD1 LEU A 4 20.386 4.217 -14.843 1.00 0.00 C ATOM 65 CD2 LEU A 4 22.423 5.483 -14.267 1.00 0.00 C ATOM 0 H LEU A 4 19.836 5.714 -10.379 1.00 0.00 H new ATOM 0 HA LEU A 4 21.781 7.099 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.221 5.708 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.130 6.845 -13.983 1.00 0.00 H new ATOM 0 HG LEU A 4 21.306 4.276 -12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.013 3.403 -15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.444 3.812 -14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.187 4.914 -15.657 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.032 4.653 -14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.219 6.164 -15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 4 22.959 6.015 -13.481 1.00 0.00 H new ATOM 77 N THR A 5 20.003 9.048 -12.295 1.00 0.00 N ATOM 78 CA THR A 5 19.126 10.200 -12.127 1.00 0.00 C ATOM 79 C THR A 5 18.506 10.534 -13.478 1.00 0.00 C ATOM 80 O THR A 5 19.016 11.370 -14.223 1.00 0.00 O ATOM 81 CB THR A 5 19.871 11.386 -11.509 1.00 0.00 C ATOM 82 OG1 THR A 5 20.458 10.999 -10.284 1.00 0.00 O ATOM 83 CG2 THR A 5 18.904 12.532 -11.225 1.00 0.00 C ATOM 0 H THR A 5 20.716 9.168 -13.014 1.00 0.00 H new ATOM 0 HA THR A 5 18.327 9.961 -11.425 1.00 0.00 H new ATOM 0 HB THR A 5 20.636 11.709 -12.215 1.00 0.00 H new ATOM 0 HG1 THR A 5 20.935 11.761 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.449 13.368 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.437 12.853 -12.156 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.135 12.195 -10.530 1.00 0.00 H new ATOM 91 N ARG A 6 17.392 9.864 -13.785 1.00 0.00 N ATOM 92 CA ARG A 6 16.667 10.019 -15.036 1.00 0.00 C ATOM 93 C ARG A 6 15.867 11.324 -14.999 1.00 0.00 C ATOM 94 O ARG A 6 15.838 11.999 -13.971 1.00 0.00 O ATOM 95 CB ARG A 6 15.762 8.787 -15.193 1.00 0.00 C ATOM 96 CG ARG A 6 15.089 8.614 -16.560 1.00 0.00 C ATOM 97 CD ARG A 6 16.054 8.210 -17.678 1.00 0.00 C ATOM 98 NE ARG A 6 16.963 9.290 -18.079 1.00 0.00 N ATOM 99 CZ ARG A 6 17.813 9.198 -19.105 1.00 0.00 C ATOM 100 NH1 ARG A 6 17.843 8.113 -19.872 1.00 0.00 N ATOM 101 NH2 ARG A 6 18.647 10.197 -19.378 1.00 0.00 N ATOM 0 H ARG A 6 16.965 9.186 -13.154 1.00 0.00 H new ATOM 0 HA ARG A 6 17.338 10.080 -15.893 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.356 7.896 -14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.984 8.833 -14.431 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.308 7.859 -16.477 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.600 9.549 -16.835 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.642 7.353 -17.349 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.479 7.888 -18.546 1.00 0.00 H new ATOM 0 HE ARG A 6 16.945 10.159 -17.545 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.211 7.336 -19.681 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.498 8.058 -20.652 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.640 11.039 -18.803 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.294 10.121 -20.163 1.00 0.00 H new ATOM 115 N LYS A 7 15.215 11.689 -16.109 1.00 0.00 N ATOM 116 CA LYS A 7 14.367 12.873 -16.167 1.00 0.00 C ATOM 117 C LYS A 7 12.989 12.489 -16.693 1.00 0.00 C ATOM 118 O LYS A 7 12.856 11.497 -17.407 1.00 0.00 O ATOM 119 CB LYS A 7 15.010 13.953 -17.046 1.00 0.00 C ATOM 120 CG LYS A 7 16.465 14.220 -16.652 1.00 0.00 C ATOM 121 CD LYS A 7 16.962 15.497 -17.333 1.00 0.00 C ATOM 122 CE LYS A 7 18.460 15.683 -17.082 1.00 0.00 C ATOM 123 NZ LYS A 7 18.962 16.917 -17.715 1.00 0.00 N ATOM 0 H LYS A 7 15.263 11.171 -16.986 1.00 0.00 H new ATOM 0 HA LYS A 7 14.256 13.284 -15.164 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.968 13.643 -18.090 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.437 14.876 -16.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.546 14.320 -15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.090 13.376 -16.942 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.769 15.445 -18.405 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.413 16.358 -16.952 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.649 15.720 -16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.005 14.824 -17.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.980 17.014 -17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.803 16.870 -18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.458 17.738 -17.324 1.00 0.00 H new ATOM 137 N VAL A 8 11.966 13.270 -16.343 1.00 0.00 N ATOM 138 CA VAL A 8 10.591 12.997 -16.745 1.00 0.00 C ATOM 139 C VAL A 8 10.488 12.895 -18.266 1.00 0.00 C ATOM 140 O VAL A 8 10.889 13.809 -18.985 1.00 0.00 O ATOM 141 CB VAL A 8 9.680 14.102 -16.207 1.00 0.00 C ATOM 142 CG1 VAL A 8 8.261 13.941 -16.750 1.00 0.00 C ATOM 143 CG2 VAL A 8 9.644 14.034 -14.679 1.00 0.00 C ATOM 0 H VAL A 8 12.070 14.109 -15.773 1.00 0.00 H new ATOM 0 HA VAL A 8 10.274 12.041 -16.328 1.00 0.00 H new ATOM 0 HB VAL A 8 10.074 15.066 -16.529 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.628 14.736 -16.356 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.279 13.998 -17.838 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.862 12.974 -16.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.995 14.821 -14.295 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.260 13.063 -14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.651 14.170 -14.285 1.00 0.00 H new ATOM 153 N GLY A 9 9.946 11.772 -18.744 1.00 0.00 N ATOM 154 CA GLY A 9 9.715 11.522 -20.159 1.00 0.00 C ATOM 155 C GLY A 9 10.804 10.652 -20.787 1.00 0.00 C ATOM 156 O GLY A 9 10.651 10.210 -21.924 1.00 0.00 O ATOM 0 H GLY A 9 9.652 11.001 -18.144 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.748 11.035 -20.285 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.664 12.473 -20.689 1.00 0.00 H new ATOM 160 N GLU A 10 11.898 10.404 -20.061 1.00 0.00 N ATOM 161 CA GLU A 10 12.985 9.561 -20.539 1.00 0.00 C ATOM 162 C GLU A 10 12.781 8.121 -20.064 1.00 0.00 C ATOM 163 O GLU A 10 11.809 7.820 -19.368 1.00 0.00 O ATOM 164 CB GLU A 10 14.322 10.112 -20.039 1.00 0.00 C ATOM 165 CG GLU A 10 14.556 11.558 -20.479 1.00 0.00 C ATOM 166 CD GLU A 10 14.610 11.685 -22.001 1.00 0.00 C ATOM 167 OE1 GLU A 10 15.635 11.261 -22.578 1.00 0.00 O ATOM 168 OE2 GLU A 10 13.626 12.205 -22.575 1.00 0.00 O ATOM 0 H GLU A 10 12.050 10.784 -19.127 1.00 0.00 H new ATOM 0 HA GLU A 10 12.992 9.563 -21.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.351 10.057 -18.951 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.133 9.486 -20.412 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.758 12.190 -20.089 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.490 11.922 -20.050 1.00 0.00 H new ATOM 175 N SER A 11 13.699 7.223 -20.439 1.00 0.00 N ATOM 176 CA SER A 11 13.593 5.819 -20.069 1.00 0.00 C ATOM 177 C SER A 11 14.927 5.199 -19.677 1.00 0.00 C ATOM 178 O SER A 11 15.986 5.826 -19.751 1.00 0.00 O ATOM 179 CB SER A 11 12.967 5.024 -21.215 1.00 0.00 C ATOM 180 OG SER A 11 13.747 5.131 -22.387 1.00 0.00 O ATOM 0 H SER A 11 14.521 7.450 -20.998 1.00 0.00 H new ATOM 0 HA SER A 11 12.955 5.775 -19.186 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.875 3.976 -20.929 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.959 5.391 -21.409 1.00 0.00 H new ATOM 0 HG SER A 11 13.329 4.613 -23.107 1.00 0.00 H new ATOM 186 N ILE A 12 14.831 3.938 -19.257 1.00 0.00 N ATOM 187 CA ILE A 12 15.913 3.073 -18.825 1.00 0.00 C ATOM 188 C ILE A 12 15.661 1.701 -19.457 1.00 0.00 C ATOM 189 O ILE A 12 14.546 1.425 -19.896 1.00 0.00 O ATOM 190 CB ILE A 12 15.883 3.001 -17.289 1.00 0.00 C ATOM 191 CG1 ILE A 12 16.176 4.349 -16.615 1.00 0.00 C ATOM 192 CG2 ILE A 12 16.850 1.943 -16.760 1.00 0.00 C ATOM 193 CD1 ILE A 12 17.572 4.888 -16.925 1.00 0.00 C ATOM 0 H ILE A 12 13.928 3.467 -19.209 1.00 0.00 H new ATOM 0 HA ILE A 12 16.894 3.439 -19.129 1.00 0.00 H new ATOM 0 HB ILE A 12 14.862 2.720 -17.031 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.433 5.078 -16.938 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.068 4.239 -15.536 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.803 1.919 -15.671 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.573 0.966 -17.157 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.865 2.188 -17.074 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.714 5.842 -16.418 1.00 0.00 H new ATOM 0 HD12 ILE A 12 18.322 4.177 -16.578 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.677 5.029 -18.001 1.00 0.00 H new ATOM 205 N ASN A 13 16.673 0.831 -19.516 1.00 0.00 N ATOM 206 CA ASN A 13 16.508 -0.486 -20.108 1.00 0.00 C ATOM 207 C ASN A 13 17.190 -1.552 -19.253 1.00 0.00 C ATOM 208 O ASN A 13 18.142 -1.250 -18.533 1.00 0.00 O ATOM 209 CB ASN A 13 17.078 -0.451 -21.528 1.00 0.00 C ATOM 210 CG ASN A 13 16.596 -1.641 -22.341 1.00 0.00 C ATOM 211 OD1 ASN A 13 17.319 -2.615 -22.528 1.00 0.00 O ATOM 212 ND2 ASN A 13 15.361 -1.560 -22.826 1.00 0.00 N ATOM 0 H ASN A 13 17.610 1.020 -19.160 1.00 0.00 H new ATOM 0 HA ASN A 13 15.451 -0.748 -20.153 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.779 0.475 -22.020 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.167 -0.453 -21.486 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.979 -2.327 -23.379 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.796 -0.731 -22.645 1.00 0.00 H new ATOM 219 N ILE A 14 16.704 -2.796 -19.331 1.00 0.00 N ATOM 220 CA ILE A 14 17.253 -3.910 -18.568 1.00 0.00 C ATOM 221 C ILE A 14 17.269 -5.168 -19.438 1.00 0.00 C ATOM 222 O ILE A 14 16.363 -5.391 -20.242 1.00 0.00 O ATOM 223 CB ILE A 14 16.425 -4.145 -17.293 1.00 0.00 C ATOM 224 CG1 ILE A 14 16.365 -2.868 -16.442 1.00 0.00 C ATOM 225 CG2 ILE A 14 17.046 -5.287 -16.480 1.00 0.00 C ATOM 226 CD1 ILE A 14 15.491 -3.043 -15.201 1.00 0.00 C ATOM 0 H ILE A 14 15.918 -3.053 -19.927 1.00 0.00 H new ATOM 0 HA ILE A 14 18.274 -3.672 -18.271 1.00 0.00 H new ATOM 0 HB ILE A 14 15.409 -4.414 -17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.374 -2.588 -16.138 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.976 -2.049 -17.046 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.458 -5.452 -15.577 1.00 0.00 H new ATOM 0 HG22 ILE A 14 17.054 -6.197 -17.079 1.00 0.00 H new ATOM 0 HG23 ILE A 14 18.067 -5.024 -16.205 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.479 -2.114 -14.631 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.475 -3.296 -15.504 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.895 -3.844 -14.582 1.00 0.00 H new ATOM 238 N GLY A 15 18.309 -5.989 -19.268 1.00 0.00 N ATOM 239 CA GLY A 15 18.481 -7.222 -20.016 1.00 0.00 C ATOM 240 C GLY A 15 18.459 -6.949 -21.516 1.00 0.00 C ATOM 241 O GLY A 15 19.250 -6.155 -22.021 1.00 0.00 O ATOM 0 H GLY A 15 19.058 -5.808 -18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.425 -7.692 -19.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.688 -7.924 -19.757 1.00 0.00 H new ATOM 245 N ASP A 16 17.545 -7.616 -22.223 1.00 0.00 N ATOM 246 CA ASP A 16 17.349 -7.445 -23.656 1.00 0.00 C ATOM 247 C ASP A 16 15.855 -7.492 -23.992 1.00 0.00 C ATOM 248 O ASP A 16 15.476 -7.469 -25.162 1.00 0.00 O ATOM 249 CB ASP A 16 18.127 -8.542 -24.389 1.00 0.00 C ATOM 250 CG ASP A 16 18.103 -8.355 -25.905 1.00 0.00 C ATOM 251 OD1 ASP A 16 18.518 -7.266 -26.358 1.00 0.00 O ATOM 252 OD2 ASP A 16 17.670 -9.302 -26.598 1.00 0.00 O ATOM 0 H ASP A 16 16.913 -8.299 -21.806 1.00 0.00 H new ATOM 0 HA ASP A 16 17.723 -6.473 -23.978 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.160 -8.545 -24.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.703 -9.514 -24.138 1.00 0.00 H new ATOM 257 N ASP A 17 15.003 -7.559 -22.963 1.00 0.00 N ATOM 258 CA ASP A 17 13.569 -7.738 -23.127 1.00 0.00 C ATOM 259 C ASP A 17 12.747 -6.871 -22.170 1.00 0.00 C ATOM 260 O ASP A 17 11.521 -6.974 -22.163 1.00 0.00 O ATOM 261 CB ASP A 17 13.231 -9.219 -22.925 1.00 0.00 C ATOM 262 CG ASP A 17 13.417 -9.671 -21.476 1.00 0.00 C ATOM 263 OD1 ASP A 17 14.553 -9.543 -20.967 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.418 -10.143 -20.891 1.00 0.00 O ATOM 0 H ASP A 17 15.298 -7.489 -21.989 1.00 0.00 H new ATOM 0 HA ASP A 17 13.304 -7.417 -24.135 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.199 -9.397 -23.228 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.863 -9.824 -23.575 1.00 0.00 H new ATOM 269 N ILE A 18 13.397 -6.021 -21.365 1.00 0.00 N ATOM 270 CA ILE A 18 12.698 -5.221 -20.367 1.00 0.00 C ATOM 271 C ILE A 18 13.055 -3.746 -20.522 1.00 0.00 C ATOM 272 O ILE A 18 14.200 -3.408 -20.812 1.00 0.00 O ATOM 273 CB ILE A 18 13.074 -5.734 -18.972 1.00 0.00 C ATOM 274 CG1 ILE A 18 12.619 -7.188 -18.805 1.00 0.00 C ATOM 275 CG2 ILE A 18 12.439 -4.868 -17.880 1.00 0.00 C ATOM 276 CD1 ILE A 18 13.389 -7.862 -17.675 1.00 0.00 C ATOM 0 H ILE A 18 14.406 -5.874 -21.390 1.00 0.00 H new ATOM 0 HA ILE A 18 11.621 -5.315 -20.506 1.00 0.00 H new ATOM 0 HB ILE A 18 14.158 -5.679 -18.872 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.550 -7.219 -18.594 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.776 -7.733 -19.736 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.721 -5.253 -16.900 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.789 -3.841 -17.981 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.354 -4.893 -17.981 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.053 -8.894 -17.571 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.455 -7.849 -17.903 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.210 -7.326 -16.743 1.00 0.00 H new ATOM 288 N THR A 19 12.067 -2.868 -20.326 1.00 0.00 N ATOM 289 CA THR A 19 12.264 -1.431 -20.428 1.00 0.00 C ATOM 290 C THR A 19 11.509 -0.742 -19.300 1.00 0.00 C ATOM 291 O THR A 19 10.431 -1.189 -18.915 1.00 0.00 O ATOM 292 CB THR A 19 11.765 -0.940 -21.791 1.00 0.00 C ATOM 293 OG1 THR A 19 12.357 -1.696 -22.826 1.00 0.00 O ATOM 294 CG2 THR A 19 12.121 0.528 -22.015 1.00 0.00 C ATOM 0 H THR A 19 11.112 -3.139 -20.093 1.00 0.00 H new ATOM 0 HA THR A 19 13.324 -1.193 -20.341 1.00 0.00 H new ATOM 0 HB THR A 19 10.681 -1.057 -21.802 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.031 -1.376 -23.693 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.754 0.847 -22.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.660 1.137 -21.237 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.204 0.650 -21.978 1.00 0.00 H new ATOM 302 N ILE A 20 12.074 0.345 -18.772 1.00 0.00 N ATOM 303 CA ILE A 20 11.485 1.094 -17.670 1.00 0.00 C ATOM 304 C ILE A 20 11.372 2.555 -18.098 1.00 0.00 C ATOM 305 O ILE A 20 12.196 3.029 -18.877 1.00 0.00 O ATOM 306 CB ILE A 20 12.364 0.955 -16.416 1.00 0.00 C ATOM 307 CG1 ILE A 20 12.825 -0.485 -16.146 1.00 0.00 C ATOM 308 CG2 ILE A 20 11.636 1.506 -15.187 1.00 0.00 C ATOM 309 CD1 ILE A 20 11.680 -1.445 -15.825 1.00 0.00 C ATOM 0 H ILE A 20 12.959 0.730 -19.102 1.00 0.00 H new ATOM 0 HA ILE A 20 10.495 0.707 -17.427 1.00 0.00 H new ATOM 0 HB ILE A 20 13.262 1.541 -16.612 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.364 -0.855 -17.018 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.529 -0.482 -15.314 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.273 1.399 -14.309 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.406 2.560 -15.343 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.710 0.951 -15.033 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.081 -2.443 -15.646 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.155 -1.100 -14.935 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.987 -1.478 -16.665 1.00 0.00 H new ATOM 321 N THR A 21 10.365 3.280 -17.603 1.00 0.00 N ATOM 322 CA THR A 21 10.138 4.660 -18.019 1.00 0.00 C ATOM 323 C THR A 21 9.706 5.506 -16.826 1.00 0.00 C ATOM 324 O THR A 21 9.233 4.971 -15.826 1.00 0.00 O ATOM 325 CB THR A 21 9.066 4.673 -19.118 1.00 0.00 C ATOM 326 OG1 THR A 21 9.423 3.768 -20.141 1.00 0.00 O ATOM 327 CG2 THR A 21 8.909 6.051 -19.761 1.00 0.00 C ATOM 0 H THR A 21 9.697 2.932 -16.915 1.00 0.00 H new ATOM 0 HA THR A 21 11.061 5.087 -18.412 1.00 0.00 H new ATOM 0 HB THR A 21 8.126 4.394 -18.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.736 3.777 -20.840 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.139 6.007 -20.532 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.620 6.777 -19.001 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.855 6.353 -20.210 1.00 0.00 H new ATOM 335 N ILE A 22 9.865 6.830 -16.927 1.00 0.00 N ATOM 336 CA ILE A 22 9.437 7.762 -15.893 1.00 0.00 C ATOM 337 C ILE A 22 8.426 8.728 -16.503 1.00 0.00 C ATOM 338 O ILE A 22 8.789 9.704 -17.155 1.00 0.00 O ATOM 339 CB ILE A 22 10.651 8.447 -15.245 1.00 0.00 C ATOM 340 CG1 ILE A 22 10.238 9.599 -14.321 1.00 0.00 C ATOM 341 CG2 ILE A 22 11.633 8.989 -16.286 1.00 0.00 C ATOM 342 CD1 ILE A 22 9.373 9.102 -13.166 1.00 0.00 C ATOM 0 H ILE A 22 10.296 7.281 -17.734 1.00 0.00 H new ATOM 0 HA ILE A 22 8.937 7.241 -15.076 1.00 0.00 H new ATOM 0 HB ILE A 22 11.142 7.671 -14.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.128 10.088 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.690 10.348 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.474 9.464 -15.780 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.998 8.169 -16.904 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.128 9.721 -16.916 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.097 9.943 -12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.471 8.635 -13.562 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.932 8.372 -12.580 1.00 0.00 H new ATOM 354 N LEU A 23 7.139 8.447 -16.287 1.00 0.00 N ATOM 355 CA LEU A 23 6.065 9.219 -16.889 1.00 0.00 C ATOM 356 C LEU A 23 5.937 10.582 -16.217 1.00 0.00 C ATOM 357 O LEU A 23 5.438 11.523 -16.835 1.00 0.00 O ATOM 358 CB LEU A 23 4.745 8.453 -16.776 1.00 0.00 C ATOM 359 CG LEU A 23 4.843 7.025 -17.324 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.450 6.405 -17.355 1.00 0.00 C ATOM 361 CD2 LEU A 23 5.399 7.021 -18.745 1.00 0.00 C ATOM 0 H LEU A 23 6.820 7.682 -15.693 1.00 0.00 H new ATOM 0 HA LEU A 23 6.300 9.375 -17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.439 8.417 -15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.968 8.993 -17.317 1.00 0.00 H new ATOM 0 HG LEU A 23 5.511 6.456 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.513 5.389 -17.744 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.039 6.383 -16.346 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.801 7.000 -17.998 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.458 5.996 -19.110 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.742 7.600 -19.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.395 7.465 -18.747 1.00 0.00 H new ATOM 373 N GLY A 24 6.381 10.699 -14.962 1.00 0.00 N ATOM 374 CA GLY A 24 6.395 11.994 -14.300 1.00 0.00 C ATOM 375 C GLY A 24 6.379 11.891 -12.781 1.00 0.00 C ATOM 376 O GLY A 24 6.484 10.807 -12.213 1.00 0.00 O ATOM 0 H GLY A 24 6.729 9.924 -14.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.283 12.544 -14.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.531 12.572 -14.628 1.00 0.00 H new ATOM 380 N VAL A 25 6.243 13.050 -12.132 1.00 0.00 N ATOM 381 CA VAL A 25 6.218 13.177 -10.685 1.00 0.00 C ATOM 382 C VAL A 25 4.927 13.876 -10.264 1.00 0.00 C ATOM 383 O VAL A 25 4.390 14.698 -11.005 1.00 0.00 O ATOM 384 CB VAL A 25 7.476 13.930 -10.227 1.00 0.00 C ATOM 385 CG1 VAL A 25 7.545 15.335 -10.831 1.00 0.00 C ATOM 386 CG2 VAL A 25 7.534 14.054 -8.705 1.00 0.00 C ATOM 0 H VAL A 25 6.145 13.943 -12.615 1.00 0.00 H new ATOM 0 HA VAL A 25 6.228 12.198 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 25 8.325 13.343 -10.577 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.448 15.836 -10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.565 15.263 -11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.671 15.907 -10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.437 14.592 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.659 14.599 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.547 13.059 -8.259 1.00 0.00 H new ATOM 396 N SER A 26 4.434 13.543 -9.069 1.00 0.00 N ATOM 397 CA SER A 26 3.203 14.097 -8.525 1.00 0.00 C ATOM 398 C SER A 26 3.358 14.257 -7.018 1.00 0.00 C ATOM 399 O SER A 26 2.890 13.421 -6.246 1.00 0.00 O ATOM 400 CB SER A 26 2.021 13.183 -8.856 1.00 0.00 C ATOM 401 OG SER A 26 1.873 13.056 -10.256 1.00 0.00 O ATOM 0 H SER A 26 4.888 12.873 -8.448 1.00 0.00 H new ATOM 0 HA SER A 26 3.007 15.072 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.177 12.201 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.107 13.589 -8.423 1.00 0.00 H new ATOM 0 HG SER A 26 1.114 12.468 -10.453 1.00 0.00 H new ATOM 407 N GLY A 27 4.019 15.338 -6.600 1.00 0.00 N ATOM 408 CA GLY A 27 4.306 15.582 -5.198 1.00 0.00 C ATOM 409 C GLY A 27 5.213 14.486 -4.650 1.00 0.00 C ATOM 410 O GLY A 27 6.300 14.259 -5.178 1.00 0.00 O ATOM 0 H GLY A 27 4.367 16.063 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.785 16.554 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.377 15.614 -4.629 1.00 0.00 H new ATOM 414 N GLN A 28 4.768 13.806 -3.592 1.00 0.00 N ATOM 415 CA GLN A 28 5.531 12.724 -2.986 1.00 0.00 C ATOM 416 C GLN A 28 5.492 11.460 -3.854 1.00 0.00 C ATOM 417 O GLN A 28 6.213 10.501 -3.579 1.00 0.00 O ATOM 418 CB GLN A 28 4.954 12.447 -1.595 1.00 0.00 C ATOM 419 CG GLN A 28 5.935 11.678 -0.704 1.00 0.00 C ATOM 420 CD GLN A 28 7.184 12.501 -0.405 1.00 0.00 C ATOM 421 OE1 GLN A 28 8.278 12.169 -0.851 1.00 0.00 O ATOM 422 NE2 GLN A 28 7.032 13.583 0.354 1.00 0.00 N ATOM 0 H GLN A 28 3.874 13.991 -3.137 1.00 0.00 H new ATOM 0 HA GLN A 28 6.577 13.020 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.695 13.391 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.031 11.876 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.444 11.408 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.220 10.747 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.109 13.831 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.839 14.164 0.581 1.00 0.00 H new ATOM 431 N GLN A 29 4.656 11.447 -4.900 1.00 0.00 N ATOM 432 CA GLN A 29 4.521 10.280 -5.759 1.00 0.00 C ATOM 433 C GLN A 29 5.334 10.438 -7.042 1.00 0.00 C ATOM 434 O GLN A 29 5.735 11.543 -7.403 1.00 0.00 O ATOM 435 CB GLN A 29 3.051 10.022 -6.098 1.00 0.00 C ATOM 436 CG GLN A 29 2.132 10.188 -4.888 1.00 0.00 C ATOM 437 CD GLN A 29 0.722 9.742 -5.232 1.00 0.00 C ATOM 438 OE1 GLN A 29 0.398 8.560 -5.153 1.00 0.00 O ATOM 439 NE2 GLN A 29 -0.133 10.681 -5.615 1.00 0.00 N ATOM 0 H GLN A 29 4.066 12.235 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 29 4.911 9.423 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.737 10.708 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.945 9.012 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.512 9.602 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.123 11.230 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.169 11.654 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.092 10.430 -5.855 1.00 0.00 H new ATOM 448 N VAL A 30 5.574 9.319 -7.732 1.00 0.00 N ATOM 449 CA VAL A 30 6.364 9.260 -8.953 1.00 0.00 C ATOM 450 C VAL A 30 5.785 8.191 -9.876 1.00 0.00 C ATOM 451 O VAL A 30 5.932 6.999 -9.608 1.00 0.00 O ATOM 452 CB VAL A 30 7.823 8.928 -8.617 1.00 0.00 C ATOM 453 CG1 VAL A 30 8.662 8.966 -9.893 1.00 0.00 C ATOM 454 CG2 VAL A 30 8.425 9.929 -7.631 1.00 0.00 C ATOM 0 H VAL A 30 5.213 8.409 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 30 6.332 10.228 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 30 7.832 7.937 -8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.699 8.730 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.278 8.234 -10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.609 9.961 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.459 9.656 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.395 10.929 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.851 9.917 -6.704 1.00 0.00 H new ATOM 464 N ARG A 31 5.125 8.596 -10.965 1.00 0.00 N ATOM 465 CA ARG A 31 4.566 7.640 -11.909 1.00 0.00 C ATOM 466 C ARG A 31 5.665 7.052 -12.786 1.00 0.00 C ATOM 467 O ARG A 31 6.123 7.686 -13.737 1.00 0.00 O ATOM 468 CB ARG A 31 3.459 8.281 -12.748 1.00 0.00 C ATOM 469 CG ARG A 31 2.798 7.205 -13.610 1.00 0.00 C ATOM 470 CD ARG A 31 1.440 7.690 -14.116 1.00 0.00 C ATOM 471 NE ARG A 31 0.475 7.731 -13.010 1.00 0.00 N ATOM 472 CZ ARG A 31 -0.846 7.884 -13.126 1.00 0.00 C ATOM 473 NH1 ARG A 31 -1.429 8.040 -14.311 1.00 0.00 N ATOM 474 NH2 ARG A 31 -1.595 7.881 -12.028 1.00 0.00 N ATOM 0 H ARG A 31 4.968 9.574 -11.209 1.00 0.00 H new ATOM 0 HA ARG A 31 4.114 6.823 -11.346 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.719 8.750 -12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.873 9.067 -13.380 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.442 6.960 -14.455 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.672 6.291 -13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.541 8.681 -14.558 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.077 7.026 -14.901 1.00 0.00 H new ATOM 0 HE ARG A 31 0.849 7.634 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.864 8.045 -15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.441 8.155 -14.370 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.159 7.763 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.606 7.997 -12.100 1.00 0.00 H new ATOM 488 N ILE A 32 6.074 5.828 -12.445 1.00 0.00 N ATOM 489 CA ILE A 32 7.046 5.041 -13.189 1.00 0.00 C ATOM 490 C ILE A 32 6.288 3.991 -14.003 1.00 0.00 C ATOM 491 O ILE A 32 5.151 3.651 -13.675 1.00 0.00 O ATOM 492 CB ILE A 32 8.026 4.399 -12.189 1.00 0.00 C ATOM 493 CG1 ILE A 32 8.790 5.515 -11.463 1.00 0.00 C ATOM 494 CG2 ILE A 32 9.017 3.453 -12.877 1.00 0.00 C ATOM 495 CD1 ILE A 32 9.730 4.987 -10.378 1.00 0.00 C ATOM 0 H ILE A 32 5.724 5.347 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 32 7.624 5.657 -13.878 1.00 0.00 H new ATOM 0 HB ILE A 32 7.451 3.802 -11.481 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.368 6.085 -12.191 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.075 6.204 -11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.688 3.024 -12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.470 2.653 -13.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.599 4.008 -13.613 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.241 5.823 -9.901 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.153 4.441 -9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.466 4.320 -10.827 1.00 0.00 H new ATOM 507 N GLY A 33 6.911 3.473 -15.064 1.00 0.00 N ATOM 508 CA GLY A 33 6.328 2.425 -15.884 1.00 0.00 C ATOM 509 C GLY A 33 7.326 1.286 -16.056 1.00 0.00 C ATOM 510 O GLY A 33 8.531 1.520 -16.115 1.00 0.00 O ATOM 0 H GLY A 33 7.835 3.773 -15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.415 2.053 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.049 2.826 -16.858 1.00 0.00 H new ATOM 514 N ILE A 34 6.815 0.054 -16.137 1.00 0.00 N ATOM 515 CA ILE A 34 7.626 -1.146 -16.262 1.00 0.00 C ATOM 516 C ILE A 34 7.078 -1.976 -17.417 1.00 0.00 C ATOM 517 O ILE A 34 5.919 -2.387 -17.391 1.00 0.00 O ATOM 518 CB ILE A 34 7.609 -1.950 -14.952 1.00 0.00 C ATOM 519 CG1 ILE A 34 8.203 -1.163 -13.776 1.00 0.00 C ATOM 520 CG2 ILE A 34 8.436 -3.225 -15.140 1.00 0.00 C ATOM 521 CD1 ILE A 34 7.161 -0.295 -13.069 1.00 0.00 C ATOM 0 H ILE A 34 5.813 -0.133 -16.117 1.00 0.00 H new ATOM 0 HA ILE A 34 8.663 -0.876 -16.463 1.00 0.00 H new ATOM 0 HB ILE A 34 6.568 -2.176 -14.720 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.638 -1.859 -13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.013 -0.530 -14.138 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.430 -3.802 -14.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.006 -3.823 -15.944 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.462 -2.959 -15.395 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.632 0.241 -12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.744 0.422 -13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.363 -0.928 -12.681 1.00 0.00 H new ATOM 533 N ASN A 35 7.906 -2.225 -18.432 1.00 0.00 N ATOM 534 CA ASN A 35 7.482 -2.928 -19.629 1.00 0.00 C ATOM 535 C ASN A 35 8.291 -4.201 -19.829 1.00 0.00 C ATOM 536 O ASN A 35 9.495 -4.157 -20.072 1.00 0.00 O ATOM 537 CB ASN A 35 7.599 -1.996 -20.830 1.00 0.00 C ATOM 538 CG ASN A 35 6.924 -2.596 -22.053 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.708 -2.767 -22.073 1.00 0.00 O ATOM 540 ND2 ASN A 35 7.704 -2.919 -23.080 1.00 0.00 N ATOM 0 H ASN A 35 8.886 -1.943 -18.441 1.00 0.00 H new ATOM 0 HA ASN A 35 6.440 -3.228 -19.520 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.144 -1.034 -20.594 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.650 -1.806 -21.047 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.296 -3.324 -23.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.710 -2.762 -23.025 1.00 0.00 H new ATOM 547 N ALA A 36 7.602 -5.336 -19.721 1.00 0.00 N ATOM 548 CA ALA A 36 8.179 -6.659 -19.887 1.00 0.00 C ATOM 549 C ALA A 36 7.112 -7.595 -20.456 1.00 0.00 C ATOM 550 O ALA A 36 5.920 -7.331 -20.297 1.00 0.00 O ATOM 551 CB ALA A 36 8.658 -7.144 -18.520 1.00 0.00 C ATOM 0 H ALA A 36 6.604 -5.356 -19.511 1.00 0.00 H new ATOM 0 HA ALA A 36 9.024 -6.638 -20.576 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.096 -8.137 -18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.407 -6.454 -18.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.813 -7.187 -17.833 1.00 0.00 H new ATOM 557 N PRO A 37 7.511 -8.689 -21.117 1.00 0.00 N ATOM 558 CA PRO A 37 6.578 -9.655 -21.667 1.00 0.00 C ATOM 559 C PRO A 37 5.934 -10.455 -20.538 1.00 0.00 C ATOM 560 O PRO A 37 6.429 -10.465 -19.413 1.00 0.00 O ATOM 561 CB PRO A 37 7.428 -10.546 -22.572 1.00 0.00 C ATOM 562 CG PRO A 37 8.803 -10.505 -21.908 1.00 0.00 C ATOM 563 CD PRO A 37 8.884 -9.071 -21.388 1.00 0.00 C ATOM 0 HA PRO A 37 5.761 -9.191 -22.220 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.035 -11.561 -22.622 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.462 -10.167 -23.593 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.885 -11.233 -21.101 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.601 -10.724 -22.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.495 -9.012 -20.487 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.339 -8.409 -22.125 1.00 0.00 H new ATOM 571 N LYS A 38 4.823 -11.134 -20.832 1.00 0.00 N ATOM 572 CA LYS A 38 4.110 -11.927 -19.838 1.00 0.00 C ATOM 573 C LYS A 38 4.903 -13.184 -19.468 1.00 0.00 C ATOM 574 O LYS A 38 4.453 -13.980 -18.645 1.00 0.00 O ATOM 575 CB LYS A 38 2.709 -12.280 -20.351 1.00 0.00 C ATOM 576 CG LYS A 38 1.723 -11.113 -20.194 1.00 0.00 C ATOM 577 CD LYS A 38 2.050 -9.922 -21.098 1.00 0.00 C ATOM 578 CE LYS A 38 0.997 -8.825 -20.948 1.00 0.00 C ATOM 579 NZ LYS A 38 -0.336 -9.273 -21.397 1.00 0.00 N ATOM 0 H LYS A 38 4.398 -11.148 -21.759 1.00 0.00 H new ATOM 0 HA LYS A 38 4.001 -11.333 -18.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.769 -12.564 -21.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.333 -13.147 -19.808 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.716 -11.464 -20.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.723 -10.783 -19.155 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.033 -9.526 -20.845 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.096 -10.249 -22.137 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.943 -8.515 -19.904 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.299 -7.951 -21.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.951 -8.446 -21.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.244 -9.792 -22.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.753 -9.897 -20.677 1.00 0.00 H new ATOM 593 N ASP A 39 6.083 -13.366 -20.071 1.00 0.00 N ATOM 594 CA ASP A 39 6.989 -14.459 -19.752 1.00 0.00 C ATOM 595 C ASP A 39 7.671 -14.214 -18.405 1.00 0.00 C ATOM 596 O ASP A 39 8.336 -15.104 -17.877 1.00 0.00 O ATOM 597 CB ASP A 39 8.045 -14.569 -20.850 1.00 0.00 C ATOM 598 CG ASP A 39 7.430 -15.048 -22.163 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.213 -16.274 -22.284 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.183 -14.185 -23.033 1.00 0.00 O ATOM 0 H ASP A 39 6.434 -12.747 -20.802 1.00 0.00 H new ATOM 0 HA ASP A 39 6.420 -15.387 -19.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.519 -13.599 -21.000 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.827 -15.261 -20.538 1.00 0.00 H new ATOM 605 N VAL A 40 7.504 -13.008 -17.853 1.00 0.00 N ATOM 606 CA VAL A 40 8.054 -12.621 -16.563 1.00 0.00 C ATOM 607 C VAL A 40 6.981 -11.896 -15.755 1.00 0.00 C ATOM 608 O VAL A 40 5.898 -11.614 -16.267 1.00 0.00 O ATOM 609 CB VAL A 40 9.296 -11.738 -16.748 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.360 -12.455 -17.577 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.963 -10.439 -17.472 1.00 0.00 C ATOM 0 H VAL A 40 6.972 -12.264 -18.304 1.00 0.00 H new ATOM 0 HA VAL A 40 8.364 -13.513 -16.019 1.00 0.00 H new ATOM 0 HB VAL A 40 9.666 -11.523 -15.745 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.229 -11.807 -17.693 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.657 -13.374 -17.071 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.954 -12.697 -18.559 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.868 -9.842 -17.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.554 -10.666 -18.457 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.228 -9.879 -16.894 1.00 0.00 H new ATOM 621 N ALA A 41 7.275 -11.591 -14.491 1.00 0.00 N ATOM 622 CA ALA A 41 6.312 -10.945 -13.617 1.00 0.00 C ATOM 623 C ALA A 41 6.829 -9.591 -13.140 1.00 0.00 C ATOM 624 O ALA A 41 8.023 -9.304 -13.225 1.00 0.00 O ATOM 625 CB ALA A 41 6.011 -11.870 -12.438 1.00 0.00 C ATOM 0 H ALA A 41 8.176 -11.784 -14.054 1.00 0.00 H new ATOM 0 HA ALA A 41 5.391 -10.759 -14.169 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.288 -11.393 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.599 -12.809 -12.808 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.931 -12.069 -11.888 1.00 0.00 H new ATOM 631 N VAL A 42 5.911 -8.763 -12.636 1.00 0.00 N ATOM 632 CA VAL A 42 6.217 -7.456 -12.074 1.00 0.00 C ATOM 633 C VAL A 42 5.182 -7.126 -11.003 1.00 0.00 C ATOM 634 O VAL A 42 3.979 -7.155 -11.256 1.00 0.00 O ATOM 635 CB VAL A 42 6.276 -6.385 -13.176 1.00 0.00 C ATOM 636 CG1 VAL A 42 5.213 -6.600 -14.250 1.00 0.00 C ATOM 637 CG2 VAL A 42 6.114 -4.978 -12.597 1.00 0.00 C ATOM 0 H VAL A 42 4.917 -8.991 -12.609 1.00 0.00 H new ATOM 0 HA VAL A 42 7.203 -7.473 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 42 7.260 -6.481 -13.634 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.296 -5.818 -15.005 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.360 -7.574 -14.718 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.223 -6.562 -13.795 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.161 -4.245 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.151 -4.901 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.915 -4.784 -11.883 1.00 0.00 H new ATOM 647 N HIS A 43 5.663 -6.810 -9.799 1.00 0.00 N ATOM 648 CA HIS A 43 4.813 -6.481 -8.662 1.00 0.00 C ATOM 649 C HIS A 43 5.421 -5.352 -7.833 1.00 0.00 C ATOM 650 O HIS A 43 6.583 -4.998 -8.028 1.00 0.00 O ATOM 651 CB HIS A 43 4.587 -7.742 -7.827 1.00 0.00 C ATOM 652 CG HIS A 43 3.840 -8.800 -8.594 1.00 0.00 C ATOM 653 ND1 HIS A 43 2.476 -8.856 -8.786 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.394 -9.876 -9.233 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.221 -9.935 -9.548 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.357 -10.592 -9.840 1.00 0.00 N ATOM 0 H HIS A 43 6.660 -6.776 -9.588 1.00 0.00 H new ATOM 0 HA HIS A 43 3.848 -6.121 -9.019 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.549 -8.140 -7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.029 -7.485 -6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.444 -10.127 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.237 -10.233 -9.880 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.445 -11.444 -10.394 1.00 0.00 H new ATOM 664 N ARG A 44 4.638 -4.784 -6.907 1.00 0.00 N ATOM 665 CA ARG A 44 5.043 -3.599 -6.161 1.00 0.00 C ATOM 666 C ARG A 44 5.200 -3.881 -4.664 1.00 0.00 C ATOM 667 O ARG A 44 4.239 -3.877 -3.899 1.00 0.00 O ATOM 668 CB ARG A 44 4.164 -2.404 -6.582 1.00 0.00 C ATOM 669 CG ARG A 44 3.234 -1.742 -5.559 1.00 0.00 C ATOM 670 CD ARG A 44 2.000 -2.600 -5.277 1.00 0.00 C ATOM 671 NE ARG A 44 1.080 -1.953 -4.335 1.00 0.00 N ATOM 672 CZ ARG A 44 1.291 -1.803 -3.023 1.00 0.00 C ATOM 673 NH1 ARG A 44 2.404 -2.246 -2.446 1.00 0.00 N ATOM 674 NH2 ARG A 44 0.375 -1.201 -2.269 1.00 0.00 N ATOM 0 H ARG A 44 3.713 -5.135 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 44 6.057 -3.297 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.830 -1.630 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.546 -2.734 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.778 -1.571 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.921 -0.766 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.478 -2.801 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.313 -3.563 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 44 0.206 -1.587 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.118 -2.711 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.543 -2.120 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.486 -0.855 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.534 -1.086 -1.268 1.00 0.00 H new ATOM 688 N GLU A 45 6.450 -4.129 -4.263 1.00 0.00 N ATOM 689 CA GLU A 45 6.888 -4.434 -2.904 1.00 0.00 C ATOM 690 C GLU A 45 5.953 -5.389 -2.154 1.00 0.00 C ATOM 691 O GLU A 45 6.134 -6.603 -2.217 1.00 0.00 O ATOM 692 CB GLU A 45 7.121 -3.126 -2.143 1.00 0.00 C ATOM 693 CG GLU A 45 7.811 -3.386 -0.804 1.00 0.00 C ATOM 694 CD GLU A 45 8.034 -2.084 -0.036 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.632 -1.157 -0.628 1.00 0.00 O ATOM 696 OE2 GLU A 45 7.606 -2.026 1.138 1.00 0.00 O ATOM 0 H GLU A 45 7.229 -4.121 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 45 7.829 -4.980 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.732 -2.454 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.168 -2.625 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.204 -4.065 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.768 -3.879 -0.975 1.00 0.00 H new ATOM 703 N GLU A 46 4.955 -4.851 -1.446 1.00 0.00 N ATOM 704 CA GLU A 46 4.054 -5.628 -0.604 1.00 0.00 C ATOM 705 C GLU A 46 3.277 -6.664 -1.413 1.00 0.00 C ATOM 706 O GLU A 46 2.971 -7.743 -0.909 1.00 0.00 O ATOM 707 CB GLU A 46 3.053 -4.680 0.062 1.00 0.00 C ATOM 708 CG GLU A 46 3.745 -3.559 0.838 1.00 0.00 C ATOM 709 CD GLU A 46 2.725 -2.512 1.279 1.00 0.00 C ATOM 710 OE1 GLU A 46 2.206 -1.810 0.381 1.00 0.00 O ATOM 711 OE2 GLU A 46 2.471 -2.422 2.501 1.00 0.00 O ATOM 0 H GLU A 46 4.752 -3.851 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 46 4.656 -6.151 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.405 -4.246 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.414 -5.247 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.253 -3.971 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.508 -3.093 0.214 1.00 0.00 H new ATOM 718 N ILE A 47 2.960 -6.337 -2.669 1.00 0.00 N ATOM 719 CA ILE A 47 2.163 -7.192 -3.537 1.00 0.00 C ATOM 720 C ILE A 47 2.899 -8.490 -3.861 1.00 0.00 C ATOM 721 O ILE A 47 2.257 -9.499 -4.136 1.00 0.00 O ATOM 722 CB ILE A 47 1.824 -6.399 -4.805 1.00 0.00 C ATOM 723 CG1 ILE A 47 0.794 -5.308 -4.489 1.00 0.00 C ATOM 724 CG2 ILE A 47 1.310 -7.256 -5.959 1.00 0.00 C ATOM 725 CD1 ILE A 47 -0.598 -5.810 -4.151 1.00 0.00 C ATOM 0 H ILE A 47 3.253 -5.465 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 47 1.241 -7.482 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 47 2.765 -5.960 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.162 -4.715 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.723 -4.639 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.094 -6.619 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.068 -7.989 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.400 -7.772 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.250 -4.962 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.995 -6.376 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.549 -6.453 -3.273 1.00 0.00 H new ATOM 737 N TYR A 48 4.235 -8.485 -3.834 1.00 0.00 N ATOM 738 CA TYR A 48 4.989 -9.700 -4.095 1.00 0.00 C ATOM 739 C TYR A 48 4.826 -10.676 -2.934 1.00 0.00 C ATOM 740 O TYR A 48 4.562 -11.859 -3.147 1.00 0.00 O ATOM 741 CB TYR A 48 6.466 -9.366 -4.301 1.00 0.00 C ATOM 742 CG TYR A 48 7.327 -10.605 -4.402 1.00 0.00 C ATOM 743 CD1 TYR A 48 7.081 -11.548 -5.411 1.00 0.00 C ATOM 744 CD2 TYR A 48 8.365 -10.811 -3.482 1.00 0.00 C ATOM 745 CE1 TYR A 48 7.861 -12.710 -5.491 1.00 0.00 C ATOM 746 CE2 TYR A 48 9.151 -11.969 -3.558 1.00 0.00 C ATOM 747 CZ TYR A 48 8.900 -12.926 -4.563 1.00 0.00 C ATOM 748 OH TYR A 48 9.659 -14.057 -4.638 1.00 0.00 O ATOM 0 H TYR A 48 4.804 -7.662 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 48 4.605 -10.167 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.579 -8.773 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.816 -8.750 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.290 -11.379 -6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.559 -10.077 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.666 -13.439 -6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.948 -12.128 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 48 10.331 -14.048 -3.925 1.00 0.00 H new ATOM 846 N MET B 1 2.660 -2.170 -21.084 1.00 0.00 N ATOM 847 CA MET B 1 3.410 -1.628 -19.934 1.00 0.00 C ATOM 848 C MET B 1 2.548 -1.644 -18.679 1.00 0.00 C ATOM 849 O MET B 1 1.337 -1.467 -18.767 1.00 0.00 O ATOM 850 CB MET B 1 3.892 -0.207 -20.240 1.00 0.00 C ATOM 851 CG MET B 1 4.789 0.329 -19.124 1.00 0.00 C ATOM 852 SD MET B 1 5.829 1.734 -19.601 1.00 0.00 S ATOM 853 CE MET B 1 4.552 2.907 -20.118 1.00 0.00 C ATOM 0 H1 MET B 1 2.763 -1.531 -21.898 1.00 0.00 H new ATOM 0 H2 MET B 1 3.034 -3.109 -21.331 1.00 0.00 H new ATOM 0 H3 MET B 1 1.654 -2.253 -20.834 1.00 0.00 H new ATOM 0 HA MET B 1 4.281 -2.259 -19.757 1.00 0.00 H new ATOM 0 HB2 MET B 1 4.439 -0.202 -21.183 1.00 0.00 H new ATOM 0 HB3 MET B 1 3.032 0.451 -20.366 1.00 0.00 H new ATOM 0 HG2 MET B 1 4.162 0.627 -18.283 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.431 -0.479 -18.772 1.00 0.00 H new ATOM 0 HE1 MET B 1 5.022 3.777 -20.576 1.00 0.00 H new ATOM 0 HE2 MET B 1 3.890 2.429 -20.840 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.974 3.222 -19.249 1.00 0.00 H new ATOM 865 N LEU B 2 3.170 -1.856 -17.514 1.00 0.00 N ATOM 866 CA LEU B 2 2.489 -1.842 -16.229 1.00 0.00 C ATOM 867 C LEU B 2 2.904 -0.585 -15.468 1.00 0.00 C ATOM 868 O LEU B 2 3.956 -0.549 -14.830 1.00 0.00 O ATOM 869 CB LEU B 2 2.843 -3.111 -15.443 1.00 0.00 C ATOM 870 CG LEU B 2 1.790 -3.526 -14.403 1.00 0.00 C ATOM 871 CD1 LEU B 2 2.472 -4.099 -13.175 1.00 0.00 C ATOM 872 CD2 LEU B 2 0.851 -2.422 -13.934 1.00 0.00 C ATOM 0 H LEU B 2 4.170 -2.043 -17.444 1.00 0.00 H new ATOM 0 HA LEU B 2 1.408 -1.827 -16.371 1.00 0.00 H new ATOM 0 HB2 LEU B 2 2.985 -3.932 -16.146 1.00 0.00 H new ATOM 0 HB3 LEU B 2 3.796 -2.956 -14.936 1.00 0.00 H new ATOM 0 HG LEU B 2 1.175 -4.258 -14.926 1.00 0.00 H new ATOM 0 HD11 LEU B 2 1.719 -4.390 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU B 2 3.059 -4.972 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU B 2 3.129 -3.346 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU B 2 0.151 -2.826 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU B 2 1.431 -1.621 -13.477 1.00 0.00 H new ATOM 0 HD23 LEU B 2 0.298 -2.028 -14.787 1.00 0.00 H new ATOM 884 N ILE B 3 2.071 0.453 -15.537 1.00 0.00 N ATOM 885 CA ILE B 3 2.324 1.727 -14.890 1.00 0.00 C ATOM 886 C ILE B 3 1.930 1.632 -13.417 1.00 0.00 C ATOM 887 O ILE B 3 0.918 1.018 -13.086 1.00 0.00 O ATOM 888 CB ILE B 3 1.518 2.814 -15.613 1.00 0.00 C ATOM 889 CG1 ILE B 3 2.062 3.057 -17.029 1.00 0.00 C ATOM 890 CG2 ILE B 3 1.608 4.136 -14.852 1.00 0.00 C ATOM 891 CD1 ILE B 3 1.572 2.047 -18.065 1.00 0.00 C ATOM 0 H ILE B 3 1.191 0.426 -16.052 1.00 0.00 H new ATOM 0 HA ILE B 3 3.382 1.983 -14.942 1.00 0.00 H new ATOM 0 HB ILE B 3 0.486 2.468 -15.665 1.00 0.00 H new ATOM 0 HG12 ILE B 3 1.776 4.059 -17.350 1.00 0.00 H new ATOM 0 HG13 ILE B 3 3.151 3.031 -16.998 1.00 0.00 H new ATOM 0 HG21 ILE B 3 1.031 4.898 -15.377 1.00 0.00 H new ATOM 0 HG22 ILE B 3 1.207 4.005 -13.847 1.00 0.00 H new ATOM 0 HG23 ILE B 3 2.650 4.449 -14.789 1.00 0.00 H new ATOM 0 HD11 ILE B 3 2.000 2.287 -19.038 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.881 1.044 -17.770 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.485 2.088 -18.127 1.00 0.00 H new ATOM 903 N LEU B 4 2.729 2.240 -12.534 1.00 0.00 N ATOM 904 CA LEU B 4 2.468 2.264 -11.099 1.00 0.00 C ATOM 905 C LEU B 4 2.875 3.631 -10.544 1.00 0.00 C ATOM 906 O LEU B 4 4.008 4.067 -10.742 1.00 0.00 O ATOM 907 CB LEU B 4 3.266 1.152 -10.399 1.00 0.00 C ATOM 908 CG LEU B 4 2.833 -0.265 -10.798 1.00 0.00 C ATOM 909 CD1 LEU B 4 3.724 -1.299 -10.116 1.00 0.00 C ATOM 910 CD2 LEU B 4 1.411 -0.574 -10.349 1.00 0.00 C ATOM 0 H LEU B 4 3.581 2.732 -12.802 1.00 0.00 H new ATOM 0 HA LEU B 4 1.407 2.095 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU B 4 4.324 1.277 -10.629 1.00 0.00 H new ATOM 0 HB3 LEU B 4 3.159 1.265 -9.320 1.00 0.00 H new ATOM 0 HG LEU B 4 2.906 -0.312 -11.885 1.00 0.00 H new ATOM 0 HD11 LEU B 4 3.407 -2.301 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU B 4 4.759 -1.144 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU B 4 3.643 -1.192 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU B 4 1.146 -1.587 -10.652 1.00 0.00 H new ATOM 0 HD22 LEU B 4 1.346 -0.491 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU B 4 0.722 0.134 -10.809 1.00 0.00 H new ATOM 922 N THR B 5 1.958 4.312 -9.848 1.00 0.00 N ATOM 923 CA THR B 5 2.257 5.607 -9.243 1.00 0.00 C ATOM 924 C THR B 5 2.965 5.384 -7.910 1.00 0.00 C ATOM 925 O THR B 5 2.346 5.411 -6.849 1.00 0.00 O ATOM 926 CB THR B 5 0.985 6.444 -9.083 1.00 0.00 C ATOM 927 OG1 THR B 5 0.368 6.593 -10.343 1.00 0.00 O ATOM 928 CG2 THR B 5 1.307 7.841 -8.566 1.00 0.00 C ATOM 0 H THR B 5 1.004 3.985 -9.692 1.00 0.00 H new ATOM 0 HA THR B 5 2.921 6.172 -9.898 1.00 0.00 H new ATOM 0 HB THR B 5 0.334 5.932 -8.374 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.463 6.074 -10.364 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.384 8.412 -8.462 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.798 7.766 -7.596 1.00 0.00 H new ATOM 0 HG23 THR B 5 1.969 8.346 -9.270 1.00 0.00 H new ATOM 936 N ARG B 6 4.279 5.159 -7.976 1.00 0.00 N ATOM 937 CA ARG B 6 5.127 4.893 -6.822 1.00 0.00 C ATOM 938 C ARG B 6 5.193 6.111 -5.906 1.00 0.00 C ATOM 939 O ARG B 6 4.683 7.177 -6.247 1.00 0.00 O ATOM 940 CB ARG B 6 6.532 4.564 -7.333 1.00 0.00 C ATOM 941 CG ARG B 6 6.525 3.289 -8.179 1.00 0.00 C ATOM 942 CD ARG B 6 6.657 2.053 -7.290 1.00 0.00 C ATOM 943 NE ARG B 6 7.986 1.974 -6.669 1.00 0.00 N ATOM 944 CZ ARG B 6 9.135 1.795 -7.330 1.00 0.00 C ATOM 945 NH1 ARG B 6 9.164 1.666 -8.654 1.00 0.00 N ATOM 946 NH2 ARG B 6 10.282 1.742 -6.661 1.00 0.00 N ATOM 0 H ARG B 6 4.792 5.158 -8.858 1.00 0.00 H new ATOM 0 HA ARG B 6 4.715 4.061 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG B 6 6.911 5.396 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG B 6 7.210 4.440 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG B 6 5.601 3.233 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG B 6 7.346 3.317 -8.896 1.00 0.00 H new ATOM 0 HD2 ARG B 6 5.893 2.079 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG B 6 6.478 1.156 -7.883 1.00 0.00 H new ATOM 0 HE ARG B 6 8.037 2.063 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG B 6 8.296 1.703 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG B 6 10.054 1.530 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG B 6 10.285 1.838 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG B 6 11.159 1.606 -7.163 1.00 0.00 H new ATOM 960 N LYS B 7 5.823 5.951 -4.740 1.00 0.00 N ATOM 961 CA LYS B 7 6.109 7.057 -3.837 1.00 0.00 C ATOM 962 C LYS B 7 7.536 6.898 -3.325 1.00 0.00 C ATOM 963 O LYS B 7 8.062 5.788 -3.316 1.00 0.00 O ATOM 964 CB LYS B 7 5.106 7.100 -2.678 1.00 0.00 C ATOM 965 CG LYS B 7 3.657 7.029 -3.170 1.00 0.00 C ATOM 966 CD LYS B 7 2.691 7.441 -2.055 1.00 0.00 C ATOM 967 CE LYS B 7 1.255 7.096 -2.445 1.00 0.00 C ATOM 968 NZ LYS B 7 0.296 7.534 -1.411 1.00 0.00 N ATOM 0 H LYS B 7 6.148 5.046 -4.399 1.00 0.00 H new ATOM 0 HA LYS B 7 6.012 8.003 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.300 6.269 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.251 8.017 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.527 7.683 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.428 6.016 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.956 6.932 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.777 8.511 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.010 7.571 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.165 6.020 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.670 7.285 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.516 7.061 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.366 8.564 -1.287 1.00 0.00 H new ATOM 982 N VAL B 8 8.166 7.994 -2.901 1.00 0.00 N ATOM 983 CA VAL B 8 9.552 7.971 -2.446 1.00 0.00 C ATOM 984 C VAL B 8 9.741 6.930 -1.343 1.00 0.00 C ATOM 985 O VAL B 8 9.095 6.997 -0.299 1.00 0.00 O ATOM 986 CB VAL B 8 9.954 9.366 -1.959 1.00 0.00 C ATOM 987 CG1 VAL B 8 11.383 9.349 -1.417 1.00 0.00 C ATOM 988 CG2 VAL B 8 9.869 10.363 -3.115 1.00 0.00 C ATOM 0 H VAL B 8 7.731 8.916 -2.864 1.00 0.00 H new ATOM 0 HA VAL B 8 10.197 7.690 -3.279 1.00 0.00 H new ATOM 0 HB VAL B 8 9.272 9.665 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL B 8 11.654 10.348 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.448 8.650 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.068 9.037 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.156 11.354 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.543 10.052 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.847 10.395 -3.494 1.00 0.00 H new ATOM 998 N GLY B 9 10.634 5.966 -1.588 1.00 0.00 N ATOM 999 CA GLY B 9 10.973 4.912 -0.644 1.00 0.00 C ATOM 1000 C GLY B 9 10.306 3.576 -0.974 1.00 0.00 C ATOM 1001 O GLY B 9 10.662 2.559 -0.383 1.00 0.00 O ATOM 0 H GLY B 9 11.148 5.901 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY B 9 12.055 4.778 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY B 9 10.678 5.221 0.359 1.00 0.00 H new ATOM 1005 N GLU B 10 9.346 3.561 -1.905 1.00 0.00 N ATOM 1006 CA GLU B 10 8.683 2.327 -2.307 1.00 0.00 C ATOM 1007 C GLU B 10 9.559 1.532 -3.275 1.00 0.00 C ATOM 1008 O GLU B 10 10.541 2.050 -3.810 1.00 0.00 O ATOM 1009 CB GLU B 10 7.341 2.653 -2.971 1.00 0.00 C ATOM 1010 CG GLU B 10 6.381 3.340 -1.997 1.00 0.00 C ATOM 1011 CD GLU B 10 6.031 2.433 -0.819 1.00 0.00 C ATOM 1012 OE1 GLU B 10 5.327 1.426 -1.055 1.00 0.00 O ATOM 1013 OE2 GLU B 10 6.471 2.753 0.308 1.00 0.00 O ATOM 0 H GLU B 10 9.014 4.394 -2.392 1.00 0.00 H new ATOM 0 HA GLU B 10 8.512 1.720 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.509 3.298 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.887 1.735 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.834 4.260 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU B 10 5.469 3.623 -2.523 1.00 0.00 H new ATOM 1020 N SER B 11 9.205 0.264 -3.505 1.00 0.00 N ATOM 1021 CA SER B 11 9.976 -0.614 -4.375 1.00 0.00 C ATOM 1022 C SER B 11 9.077 -1.422 -5.307 1.00 0.00 C ATOM 1023 O SER B 11 7.857 -1.456 -5.148 1.00 0.00 O ATOM 1024 CB SER B 11 10.837 -1.553 -3.530 1.00 0.00 C ATOM 1025 OG SER B 11 11.758 -0.810 -2.760 1.00 0.00 O ATOM 0 H SER B 11 8.381 -0.175 -3.094 1.00 0.00 H new ATOM 0 HA SER B 11 10.617 0.010 -4.998 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.202 -2.149 -2.875 1.00 0.00 H new ATOM 0 HB3 SER B 11 11.371 -2.249 -4.177 1.00 0.00 H new ATOM 0 HG SER B 11 12.303 -1.422 -2.222 1.00 0.00 H new ATOM 1031 N ILE B 12 9.709 -2.074 -6.284 1.00 0.00 N ATOM 1032 CA ILE B 12 9.083 -2.970 -7.248 1.00 0.00 C ATOM 1033 C ILE B 12 10.016 -4.159 -7.461 1.00 0.00 C ATOM 1034 O ILE B 12 11.202 -4.086 -7.146 1.00 0.00 O ATOM 1035 CB ILE B 12 8.817 -2.202 -8.557 1.00 0.00 C ATOM 1036 CG1 ILE B 12 7.498 -1.433 -8.413 1.00 0.00 C ATOM 1037 CG2 ILE B 12 8.748 -3.110 -9.791 1.00 0.00 C ATOM 1038 CD1 ILE B 12 7.135 -0.672 -9.688 1.00 0.00 C ATOM 0 H ILE B 12 10.715 -1.986 -6.428 1.00 0.00 H new ATOM 0 HA ILE B 12 8.124 -3.339 -6.886 1.00 0.00 H new ATOM 0 HB ILE B 12 9.657 -1.526 -8.716 1.00 0.00 H new ATOM 0 HG12 ILE B 12 6.697 -2.130 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE B 12 7.576 -0.732 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE B 12 8.558 -2.505 -10.678 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.694 -3.638 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE B 12 7.942 -3.833 -9.666 1.00 0.00 H new ATOM 0 HD11 ILE B 12 6.194 -0.142 -9.540 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.922 0.045 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE B 12 7.029 -1.375 -10.514 1.00 0.00 H new ATOM 1050 N ASN B 13 9.482 -5.257 -7.998 1.00 0.00 N ATOM 1051 CA ASN B 13 10.271 -6.425 -8.343 1.00 0.00 C ATOM 1052 C ASN B 13 9.946 -6.851 -9.767 1.00 0.00 C ATOM 1053 O ASN B 13 8.839 -6.621 -10.250 1.00 0.00 O ATOM 1054 CB ASN B 13 9.976 -7.557 -7.359 1.00 0.00 C ATOM 1055 CG ASN B 13 10.551 -7.253 -5.985 1.00 0.00 C ATOM 1056 OD1 ASN B 13 9.819 -6.955 -5.045 1.00 0.00 O ATOM 1057 ND2 ASN B 13 11.872 -7.328 -5.868 1.00 0.00 N ATOM 0 H ASN B 13 8.488 -5.355 -8.204 1.00 0.00 H new ATOM 0 HA ASN B 13 11.332 -6.184 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN B 13 8.899 -7.704 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN B 13 10.398 -8.489 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN B 13 12.316 -7.134 -4.971 1.00 0.00 H new ATOM 0 HD22 ASN B 13 12.442 -7.579 -6.676 1.00 0.00 H new ATOM 1064 N ILE B 14 10.921 -7.473 -10.432 1.00 0.00 N ATOM 1065 CA ILE B 14 10.759 -7.960 -11.794 1.00 0.00 C ATOM 1066 C ILE B 14 11.407 -9.338 -11.909 1.00 0.00 C ATOM 1067 O ILE B 14 12.392 -9.626 -11.228 1.00 0.00 O ATOM 1068 CB ILE B 14 11.374 -6.962 -12.792 1.00 0.00 C ATOM 1069 CG1 ILE B 14 10.742 -5.572 -12.622 1.00 0.00 C ATOM 1070 CG2 ILE B 14 11.160 -7.461 -14.226 1.00 0.00 C ATOM 1071 CD1 ILE B 14 11.396 -4.525 -13.525 1.00 0.00 C ATOM 0 H ILE B 14 11.844 -7.651 -10.037 1.00 0.00 H new ATOM 0 HA ILE B 14 9.700 -8.051 -12.034 1.00 0.00 H new ATOM 0 HB ILE B 14 12.443 -6.884 -12.594 1.00 0.00 H new ATOM 0 HG12 ILE B 14 9.677 -5.629 -12.847 1.00 0.00 H new ATOM 0 HG13 ILE B 14 10.832 -5.259 -11.582 1.00 0.00 H new ATOM 0 HG21 ILE B 14 11.597 -6.751 -14.928 1.00 0.00 H new ATOM 0 HG22 ILE B 14 11.638 -8.433 -14.348 1.00 0.00 H new ATOM 0 HG23 ILE B 14 10.092 -7.555 -14.423 1.00 0.00 H new ATOM 0 HD11 ILE B 14 10.916 -3.559 -13.369 1.00 0.00 H new ATOM 0 HD12 ILE B 14 12.456 -4.446 -13.283 1.00 0.00 H new ATOM 0 HD13 ILE B 14 11.283 -4.822 -14.568 1.00 0.00 H new ATOM 1083 N GLY B 15 10.851 -10.189 -12.776 1.00 0.00 N ATOM 1084 CA GLY B 15 11.340 -11.543 -12.978 1.00 0.00 C ATOM 1085 C GLY B 15 11.337 -12.308 -11.659 1.00 0.00 C ATOM 1086 O GLY B 15 10.278 -12.527 -11.073 1.00 0.00 O ATOM 0 H GLY B 15 10.047 -9.951 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY B 15 10.714 -12.058 -13.707 1.00 0.00 H new ATOM 0 HA3 GLY B 15 12.350 -11.515 -13.388 1.00 0.00 H new ATOM 1090 N ASP B 16 12.522 -12.712 -11.196 1.00 0.00 N ATOM 1091 CA ASP B 16 12.676 -13.410 -9.928 1.00 0.00 C ATOM 1092 C ASP B 16 13.972 -13.000 -9.219 1.00 0.00 C ATOM 1093 O ASP B 16 14.288 -13.529 -8.154 1.00 0.00 O ATOM 1094 CB ASP B 16 12.643 -14.918 -10.196 1.00 0.00 C ATOM 1095 CG ASP B 16 12.590 -15.732 -8.904 1.00 0.00 C ATOM 1096 OD1 ASP B 16 11.667 -15.476 -8.098 1.00 0.00 O ATOM 1097 OD2 ASP B 16 13.470 -16.606 -8.731 1.00 0.00 O ATOM 0 H ASP B 16 13.400 -12.562 -11.694 1.00 0.00 H new ATOM 0 HA ASP B 16 11.857 -13.139 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP B 16 11.775 -15.157 -10.810 1.00 0.00 H new ATOM 0 HB3 ASP B 16 13.526 -15.203 -10.767 1.00 0.00 H new ATOM 1102 N ASP B 17 14.731 -12.061 -9.799 1.00 0.00 N ATOM 1103 CA ASP B 17 16.033 -11.666 -9.274 1.00 0.00 C ATOM 1104 C ASP B 17 16.274 -10.157 -9.368 1.00 0.00 C ATOM 1105 O ASP B 17 17.366 -9.698 -9.038 1.00 0.00 O ATOM 1106 CB ASP B 17 17.131 -12.408 -10.041 1.00 0.00 C ATOM 1107 CG ASP B 17 17.035 -13.922 -9.862 1.00 0.00 C ATOM 1108 OD1 ASP B 17 17.489 -14.405 -8.801 1.00 0.00 O ATOM 1109 OD2 ASP B 17 16.509 -14.582 -10.786 1.00 0.00 O ATOM 0 H ASP B 17 14.456 -11.558 -10.643 1.00 0.00 H new ATOM 0 HA ASP B 17 16.054 -11.930 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP B 17 17.061 -12.164 -11.101 1.00 0.00 H new ATOM 0 HB3 ASP B 17 18.107 -12.064 -9.699 1.00 0.00 H new ATOM 1114 N ILE B 18 15.281 -9.376 -9.811 1.00 0.00 N ATOM 1115 CA ILE B 18 15.465 -7.943 -10.013 1.00 0.00 C ATOM 1116 C ILE B 18 14.591 -7.151 -9.043 1.00 0.00 C ATOM 1117 O ILE B 18 13.471 -7.557 -8.731 1.00 0.00 O ATOM 1118 CB ILE B 18 15.146 -7.597 -11.475 1.00 0.00 C ATOM 1119 CG1 ILE B 18 16.074 -8.385 -12.410 1.00 0.00 C ATOM 1120 CG2 ILE B 18 15.301 -6.093 -11.717 1.00 0.00 C ATOM 1121 CD1 ILE B 18 15.686 -8.205 -13.880 1.00 0.00 C ATOM 0 H ILE B 18 14.346 -9.716 -10.035 1.00 0.00 H new ATOM 0 HA ILE B 18 16.501 -7.671 -9.809 1.00 0.00 H new ATOM 0 HB ILE B 18 14.112 -7.873 -11.684 1.00 0.00 H new ATOM 0 HG12 ILE B 18 17.103 -8.056 -12.263 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.037 -9.443 -12.151 1.00 0.00 H new ATOM 0 HG21 ILE B 18 15.071 -5.866 -12.758 1.00 0.00 H new ATOM 0 HG22 ILE B 18 14.617 -5.547 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.326 -5.793 -11.498 1.00 0.00 H new ATOM 0 HD11 ILE B 18 16.367 -8.779 -14.509 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.666 -8.558 -14.033 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.748 -7.150 -14.146 1.00 0.00 H new ATOM 1133 N THR B 19 15.108 -6.013 -8.567 1.00 0.00 N ATOM 1134 CA THR B 19 14.391 -5.126 -7.665 1.00 0.00 C ATOM 1135 C THR B 19 14.635 -3.683 -8.082 1.00 0.00 C ATOM 1136 O THR B 19 15.746 -3.328 -8.466 1.00 0.00 O ATOM 1137 CB THR B 19 14.877 -5.349 -6.230 1.00 0.00 C ATOM 1138 OG1 THR B 19 14.748 -6.709 -5.878 1.00 0.00 O ATOM 1139 CG2 THR B 19 14.069 -4.516 -5.235 1.00 0.00 C ATOM 0 H THR B 19 16.045 -5.685 -8.803 1.00 0.00 H new ATOM 0 HA THR B 19 13.323 -5.338 -7.712 1.00 0.00 H new ATOM 0 HB THR B 19 15.923 -5.044 -6.189 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.063 -6.840 -4.959 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.438 -4.696 -4.225 1.00 0.00 H new ATOM 0 HG22 THR B 19 14.174 -3.458 -5.476 1.00 0.00 H new ATOM 0 HG23 THR B 19 13.018 -4.799 -5.293 1.00 0.00 H new ATOM 1147 N ILE B 20 13.592 -2.855 -8.006 1.00 0.00 N ATOM 1148 CA ILE B 20 13.665 -1.445 -8.358 1.00 0.00 C ATOM 1149 C ILE B 20 13.231 -0.624 -7.147 1.00 0.00 C ATOM 1150 O ILE B 20 12.351 -1.051 -6.402 1.00 0.00 O ATOM 1151 CB ILE B 20 12.744 -1.157 -9.555 1.00 0.00 C ATOM 1152 CG1 ILE B 20 12.880 -2.182 -10.691 1.00 0.00 C ATOM 1153 CG2 ILE B 20 13.000 0.254 -10.090 1.00 0.00 C ATOM 1154 CD1 ILE B 20 14.275 -2.222 -11.313 1.00 0.00 C ATOM 0 H ILE B 20 12.667 -3.151 -7.695 1.00 0.00 H new ATOM 0 HA ILE B 20 14.684 -1.179 -8.638 1.00 0.00 H new ATOM 0 HB ILE B 20 11.722 -1.237 -9.184 1.00 0.00 H new ATOM 0 HG12 ILE B 20 12.633 -3.172 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE B 20 12.151 -1.950 -11.468 1.00 0.00 H new ATOM 0 HG21 ILE B 20 12.342 0.447 -10.937 1.00 0.00 H new ATOM 0 HG22 ILE B 20 12.802 0.983 -9.304 1.00 0.00 H new ATOM 0 HG23 ILE B 20 14.038 0.339 -10.410 1.00 0.00 H new ATOM 0 HD11 ILE B 20 14.298 -2.968 -12.108 1.00 0.00 H new ATOM 0 HD12 ILE B 20 14.517 -1.243 -11.727 1.00 0.00 H new ATOM 0 HD13 ILE B 20 15.007 -2.484 -10.549 1.00 0.00 H new ATOM 1166 N THR B 21 13.836 0.548 -6.941 1.00 0.00 N ATOM 1167 CA THR B 21 13.486 1.413 -5.821 1.00 0.00 C ATOM 1168 C THR B 21 13.500 2.870 -6.271 1.00 0.00 C ATOM 1169 O THR B 21 14.321 3.254 -7.102 1.00 0.00 O ATOM 1170 CB THR B 21 14.478 1.190 -4.673 1.00 0.00 C ATOM 1171 OG1 THR B 21 14.535 -0.180 -4.341 1.00 0.00 O ATOM 1172 CG2 THR B 21 14.059 1.962 -3.422 1.00 0.00 C ATOM 0 H THR B 21 14.574 0.918 -7.541 1.00 0.00 H new ATOM 0 HA THR B 21 12.483 1.171 -5.469 1.00 0.00 H new ATOM 0 HB THR B 21 15.452 1.545 -5.010 1.00 0.00 H new ATOM 0 HG1 THR B 21 13.721 -0.434 -3.858 1.00 0.00 H new ATOM 0 HG21 THR B 21 14.782 1.784 -2.626 1.00 0.00 H new ATOM 0 HG22 THR B 21 14.023 3.028 -3.647 1.00 0.00 H new ATOM 0 HG23 THR B 21 13.074 1.625 -3.100 1.00 0.00 H new ATOM 1180 N ILE B 22 12.592 3.684 -5.721 1.00 0.00 N ATOM 1181 CA ILE B 22 12.545 5.112 -6.009 1.00 0.00 C ATOM 1182 C ILE B 22 13.201 5.843 -4.842 1.00 0.00 C ATOM 1183 O ILE B 22 12.590 6.057 -3.796 1.00 0.00 O ATOM 1184 CB ILE B 22 11.107 5.566 -6.314 1.00 0.00 C ATOM 1185 CG1 ILE B 22 10.989 7.093 -6.376 1.00 0.00 C ATOM 1186 CG2 ILE B 22 10.101 5.051 -5.286 1.00 0.00 C ATOM 1187 CD1 ILE B 22 11.869 7.681 -7.477 1.00 0.00 C ATOM 0 H ILE B 22 11.875 3.368 -5.068 1.00 0.00 H new ATOM 0 HA ILE B 22 13.104 5.355 -6.913 1.00 0.00 H new ATOM 0 HB ILE B 22 10.873 5.139 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE B 22 9.950 7.371 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE B 22 11.274 7.520 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.102 5.400 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE B 22 10.114 3.961 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.368 5.424 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE B 22 11.759 8.765 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE B 22 12.911 7.424 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE B 22 11.566 7.274 -8.441 1.00 0.00 H new ATOM 1199 N LEU B 23 14.466 6.227 -5.033 1.00 0.00 N ATOM 1200 CA LEU B 23 15.278 6.791 -3.969 1.00 0.00 C ATOM 1201 C LEU B 23 14.802 8.197 -3.617 1.00 0.00 C ATOM 1202 O LEU B 23 14.965 8.634 -2.480 1.00 0.00 O ATOM 1203 CB LEU B 23 16.750 6.825 -4.391 1.00 0.00 C ATOM 1204 CG LEU B 23 17.236 5.496 -4.979 1.00 0.00 C ATOM 1205 CD1 LEU B 23 18.745 5.570 -5.192 1.00 0.00 C ATOM 1206 CD2 LEU B 23 16.938 4.316 -4.056 1.00 0.00 C ATOM 0 H LEU B 23 14.948 6.153 -5.929 1.00 0.00 H new ATOM 0 HA LEU B 23 15.176 6.160 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU B 23 16.893 7.616 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU B 23 17.364 7.080 -3.527 1.00 0.00 H new ATOM 0 HG LEU B 23 16.708 5.337 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU B 23 19.100 4.628 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU B 23 18.976 6.383 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU B 23 19.239 5.752 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.300 3.395 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.438 4.467 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU B 23 15.862 4.242 -3.895 1.00 0.00 H new ATOM 1218 N GLY B 24 14.215 8.902 -4.588 1.00 0.00 N ATOM 1219 CA GLY B 24 13.597 10.191 -4.323 1.00 0.00 C ATOM 1220 C GLY B 24 13.498 11.060 -5.569 1.00 0.00 C ATOM 1221 O GLY B 24 14.080 10.753 -6.609 1.00 0.00 O ATOM 0 H GLY B 24 14.158 8.598 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY B 24 12.599 10.034 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY B 24 14.174 10.717 -3.563 1.00 0.00 H new ATOM 1225 N VAL B 25 12.746 12.157 -5.450 1.00 0.00 N ATOM 1226 CA VAL B 25 12.600 13.126 -6.524 1.00 0.00 C ATOM 1227 C VAL B 25 13.853 13.995 -6.613 1.00 0.00 C ATOM 1228 O VAL B 25 14.655 14.043 -5.681 1.00 0.00 O ATOM 1229 CB VAL B 25 11.357 13.994 -6.291 1.00 0.00 C ATOM 1230 CG1 VAL B 25 10.102 13.121 -6.277 1.00 0.00 C ATOM 1231 CG2 VAL B 25 11.442 14.763 -4.971 1.00 0.00 C ATOM 0 H VAL B 25 12.225 12.393 -4.606 1.00 0.00 H new ATOM 0 HA VAL B 25 12.475 12.595 -7.468 1.00 0.00 H new ATOM 0 HB VAL B 25 11.306 14.714 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.225 13.747 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL B 25 10.005 12.607 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL B 25 10.179 12.385 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.543 15.366 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL B 25 11.527 14.058 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL B 25 12.316 15.414 -4.985 1.00 0.00 H new ATOM 1241 N SER B 26 14.013 14.683 -7.745 1.00 0.00 N ATOM 1242 CA SER B 26 15.144 15.561 -8.010 1.00 0.00 C ATOM 1243 C SER B 26 14.680 16.729 -8.879 1.00 0.00 C ATOM 1244 O SER B 26 15.390 17.162 -9.787 1.00 0.00 O ATOM 1245 CB SER B 26 16.262 14.768 -8.692 1.00 0.00 C ATOM 1246 OG SER B 26 16.722 13.730 -7.852 1.00 0.00 O ATOM 0 H SER B 26 13.345 14.642 -8.515 1.00 0.00 H new ATOM 0 HA SER B 26 15.537 15.961 -7.076 1.00 0.00 H new ATOM 0 HB2 SER B 26 15.897 14.349 -9.630 1.00 0.00 H new ATOM 0 HB3 SER B 26 17.088 15.434 -8.940 1.00 0.00 H new ATOM 0 HG SER B 26 17.435 13.234 -8.306 1.00 0.00 H new ATOM 1252 N GLY B 27 13.477 17.241 -8.600 1.00 0.00 N ATOM 1253 CA GLY B 27 12.875 18.314 -9.372 1.00 0.00 C ATOM 1254 C GLY B 27 12.296 17.748 -10.661 1.00 0.00 C ATOM 1255 O GLY B 27 11.464 16.842 -10.621 1.00 0.00 O ATOM 0 H GLY B 27 12.897 16.916 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY B 27 12.091 18.799 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY B 27 13.621 19.076 -9.599 1.00 0.00 H new ATOM 1259 N GLN B 28 12.731 18.275 -11.809 1.00 0.00 N ATOM 1260 CA GLN B 28 12.338 17.730 -13.099 1.00 0.00 C ATOM 1261 C GLN B 28 13.020 16.375 -13.327 1.00 0.00 C ATOM 1262 O GLN B 28 12.692 15.664 -14.278 1.00 0.00 O ATOM 1263 CB GLN B 28 12.710 18.732 -14.196 1.00 0.00 C ATOM 1264 CG GLN B 28 12.027 18.424 -15.532 1.00 0.00 C ATOM 1265 CD GLN B 28 10.514 18.575 -15.435 1.00 0.00 C ATOM 1266 OE1 GLN B 28 9.985 19.679 -15.527 1.00 0.00 O ATOM 1267 NE2 GLN B 28 9.804 17.466 -15.248 1.00 0.00 N ATOM 0 H GLN B 28 13.356 19.079 -11.865 1.00 0.00 H new ATOM 0 HA GLN B 28 11.261 17.566 -13.124 1.00 0.00 H new ATOM 0 HB2 GLN B 28 12.434 19.736 -13.874 1.00 0.00 H new ATOM 0 HB3 GLN B 28 13.791 18.728 -14.335 1.00 0.00 H new ATOM 0 HG2 GLN B 28 12.412 19.094 -16.301 1.00 0.00 H new ATOM 0 HG3 GLN B 28 12.273 17.408 -15.842 1.00 0.00 H new ATOM 0 HE21 GLN B 28 10.276 16.565 -15.176 1.00 0.00 H new ATOM 0 HE22 GLN B 28 8.788 17.517 -15.177 1.00 0.00 H new ATOM 1276 N GLN B 29 13.969 16.016 -12.454 1.00 0.00 N ATOM 1277 CA GLN B 29 14.677 14.747 -12.533 1.00 0.00 C ATOM 1278 C GLN B 29 14.176 13.801 -11.442 1.00 0.00 C ATOM 1279 O GLN B 29 13.425 14.212 -10.558 1.00 0.00 O ATOM 1280 CB GLN B 29 16.187 14.973 -12.408 1.00 0.00 C ATOM 1281 CG GLN B 29 16.675 16.150 -13.253 1.00 0.00 C ATOM 1282 CD GLN B 29 18.189 16.262 -13.170 1.00 0.00 C ATOM 1283 OE1 GLN B 29 18.911 15.564 -13.873 1.00 0.00 O ATOM 1284 NE2 GLN B 29 18.681 17.143 -12.308 1.00 0.00 N ATOM 0 H GLN B 29 14.263 16.604 -11.674 1.00 0.00 H new ATOM 0 HA GLN B 29 14.481 14.290 -13.503 1.00 0.00 H new ATOM 0 HB2 GLN B 29 16.439 15.151 -11.363 1.00 0.00 H new ATOM 0 HB3 GLN B 29 16.713 14.068 -12.713 1.00 0.00 H new ATOM 0 HG2 GLN B 29 16.369 16.014 -14.290 1.00 0.00 H new ATOM 0 HG3 GLN B 29 16.215 17.074 -12.903 1.00 0.00 H new ATOM 0 HE21 GLN B 29 18.050 17.707 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN B 29 19.690 17.256 -12.214 1.00 0.00 H new ATOM 1293 N VAL B 30 14.591 12.533 -11.500 1.00 0.00 N ATOM 1294 CA VAL B 30 14.177 11.516 -10.541 1.00 0.00 C ATOM 1295 C VAL B 30 15.314 10.522 -10.313 1.00 0.00 C ATOM 1296 O VAL B 30 15.815 9.926 -11.266 1.00 0.00 O ATOM 1297 CB VAL B 30 12.948 10.772 -11.076 1.00 0.00 C ATOM 1298 CG1 VAL B 30 12.497 9.725 -10.060 1.00 0.00 C ATOM 1299 CG2 VAL B 30 11.773 11.717 -11.329 1.00 0.00 C ATOM 0 H VAL B 30 15.226 12.185 -12.218 1.00 0.00 H new ATOM 0 HA VAL B 30 13.927 11.999 -9.596 1.00 0.00 H new ATOM 0 HB VAL B 30 13.239 10.308 -12.018 1.00 0.00 H new ATOM 0 HG11 VAL B 30 11.623 9.198 -10.444 1.00 0.00 H new ATOM 0 HG12 VAL B 30 13.304 9.013 -9.889 1.00 0.00 H new ATOM 0 HG13 VAL B 30 12.241 10.216 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL B 30 10.924 11.148 -11.707 1.00 0.00 H new ATOM 0 HG22 VAL B 30 11.494 12.209 -10.397 1.00 0.00 H new ATOM 0 HG23 VAL B 30 12.062 12.469 -12.063 1.00 0.00 H new ATOM 1309 N ARG B 31 15.725 10.338 -9.053 1.00 0.00 N ATOM 1310 CA ARG B 31 16.745 9.356 -8.716 1.00 0.00 C ATOM 1311 C ARG B 31 16.100 8.002 -8.435 1.00 0.00 C ATOM 1312 O ARG B 31 15.422 7.822 -7.423 1.00 0.00 O ATOM 1313 CB ARG B 31 17.586 9.821 -7.525 1.00 0.00 C ATOM 1314 CG ARG B 31 18.659 8.770 -7.248 1.00 0.00 C ATOM 1315 CD ARG B 31 19.628 9.226 -6.157 1.00 0.00 C ATOM 1316 NE ARG B 31 20.555 10.245 -6.663 1.00 0.00 N ATOM 1317 CZ ARG B 31 21.721 10.545 -6.084 1.00 0.00 C ATOM 1318 NH1 ARG B 31 22.110 9.934 -4.969 1.00 0.00 N ATOM 1319 NH2 ARG B 31 22.519 11.466 -6.614 1.00 0.00 N ATOM 0 H ARG B 31 15.363 10.859 -8.255 1.00 0.00 H new ATOM 0 HA ARG B 31 17.415 9.250 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG B 31 18.047 10.785 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG B 31 16.955 9.959 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG B 31 18.185 7.836 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG B 31 19.213 8.565 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG B 31 19.067 9.628 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG B 31 20.192 8.370 -5.786 1.00 0.00 H new ATOM 0 HE ARG B 31 20.293 10.755 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG B 31 21.515 9.224 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG B 31 23.003 10.175 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG B 31 22.243 11.949 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG B 31 23.408 11.690 -6.166 1.00 0.00 H new ATOM 1333 N ILE B 32 16.325 7.057 -9.352 1.00 0.00 N ATOM 1334 CA ILE B 32 15.829 5.689 -9.262 1.00 0.00 C ATOM 1335 C ILE B 32 17.023 4.747 -9.092 1.00 0.00 C ATOM 1336 O ILE B 32 18.136 5.069 -9.505 1.00 0.00 O ATOM 1337 CB ILE B 32 15.024 5.353 -10.530 1.00 0.00 C ATOM 1338 CG1 ILE B 32 13.904 6.385 -10.723 1.00 0.00 C ATOM 1339 CG2 ILE B 32 14.425 3.944 -10.438 1.00 0.00 C ATOM 1340 CD1 ILE B 32 13.118 6.163 -12.017 1.00 0.00 C ATOM 0 H ILE B 32 16.871 7.230 -10.196 1.00 0.00 H new ATOM 0 HA ILE B 32 15.167 5.573 -8.404 1.00 0.00 H new ATOM 0 HB ILE B 32 15.698 5.385 -11.386 1.00 0.00 H new ATOM 0 HG12 ILE B 32 13.221 6.338 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.335 7.386 -10.731 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.861 3.729 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.227 3.214 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.761 3.886 -9.575 1.00 0.00 H new ATOM 0 HD11 ILE B 32 12.339 6.920 -12.104 1.00 0.00 H new ATOM 0 HD12 ILE B 32 13.793 6.237 -12.870 1.00 0.00 H new ATOM 0 HD13 ILE B 32 12.662 5.173 -12.000 1.00 0.00 H new ATOM 1352 N GLY B 33 16.792 3.580 -8.485 1.00 0.00 N ATOM 1353 CA GLY B 33 17.820 2.574 -8.275 1.00 0.00 C ATOM 1354 C GLY B 33 17.387 1.249 -8.887 1.00 0.00 C ATOM 1355 O GLY B 33 16.348 0.707 -8.514 1.00 0.00 O ATOM 0 H GLY B 33 15.876 3.311 -8.125 1.00 0.00 H new ATOM 0 HA2 GLY B 33 18.758 2.902 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY B 33 18.004 2.448 -7.208 1.00 0.00 H new ATOM 1359 N ILE B 34 18.186 0.731 -9.825 1.00 0.00 N ATOM 1360 CA ILE B 34 17.905 -0.532 -10.491 1.00 0.00 C ATOM 1361 C ILE B 34 18.862 -1.582 -9.941 1.00 0.00 C ATOM 1362 O ILE B 34 20.077 -1.415 -10.026 1.00 0.00 O ATOM 1363 CB ILE B 34 18.067 -0.390 -12.011 1.00 0.00 C ATOM 1364 CG1 ILE B 34 17.078 0.608 -12.630 1.00 0.00 C ATOM 1365 CG2 ILE B 34 17.820 -1.755 -12.661 1.00 0.00 C ATOM 1366 CD1 ILE B 34 17.537 2.061 -12.490 1.00 0.00 C ATOM 0 H ILE B 34 19.046 1.181 -10.140 1.00 0.00 H new ATOM 0 HA ILE B 34 16.875 -0.833 -10.300 1.00 0.00 H new ATOM 0 HB ILE B 34 19.076 -0.020 -12.191 1.00 0.00 H new ATOM 0 HG12 ILE B 34 16.945 0.374 -13.686 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.105 0.492 -12.153 1.00 0.00 H new ATOM 0 HG21 ILE B 34 17.932 -1.669 -13.742 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.542 -2.476 -12.278 1.00 0.00 H new ATOM 0 HG23 ILE B 34 16.810 -2.092 -12.426 1.00 0.00 H new ATOM 0 HD11 ILE B 34 16.799 2.721 -12.945 1.00 0.00 H new ATOM 0 HD12 ILE B 34 17.643 2.309 -11.434 1.00 0.00 H new ATOM 0 HD13 ILE B 34 18.497 2.189 -12.991 1.00 0.00 H new ATOM 1378 N ASN B 35 18.322 -2.664 -9.375 1.00 0.00 N ATOM 1379 CA ASN B 35 19.133 -3.707 -8.770 1.00 0.00 C ATOM 1380 C ASN B 35 18.874 -5.053 -9.433 1.00 0.00 C ATOM 1381 O ASN B 35 17.796 -5.627 -9.309 1.00 0.00 O ATOM 1382 CB ASN B 35 18.863 -3.757 -7.269 1.00 0.00 C ATOM 1383 CG ASN B 35 19.858 -4.666 -6.566 1.00 0.00 C ATOM 1384 OD1 ASN B 35 21.048 -4.365 -6.514 1.00 0.00 O ATOM 1385 ND2 ASN B 35 19.382 -5.782 -6.020 1.00 0.00 N ATOM 0 H ASN B 35 17.318 -2.835 -9.326 1.00 0.00 H new ATOM 0 HA ASN B 35 20.187 -3.475 -8.924 1.00 0.00 H new ATOM 0 HB2 ASN B 35 18.925 -2.752 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN B 35 17.849 -4.115 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN B 35 20.012 -6.422 -5.537 1.00 0.00 H new ATOM 0 HD22 ASN B 35 18.387 -5.997 -6.084 1.00 0.00 H new ATOM 1392 N ALA B 36 19.890 -5.542 -10.140 1.00 0.00 N ATOM 1393 CA ALA B 36 19.858 -6.810 -10.847 1.00 0.00 C ATOM 1394 C ALA B 36 21.231 -7.470 -10.725 1.00 0.00 C ATOM 1395 O ALA B 36 22.220 -6.778 -10.476 1.00 0.00 O ATOM 1396 CB ALA B 36 19.507 -6.534 -12.308 1.00 0.00 C ATOM 0 H ALA B 36 20.779 -5.051 -10.237 1.00 0.00 H new ATOM 0 HA ALA B 36 19.111 -7.483 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA B 36 19.477 -7.474 -12.859 1.00 0.00 H new ATOM 0 HB2 ALA B 36 18.532 -6.050 -12.363 1.00 0.00 H new ATOM 0 HB3 ALA B 36 20.261 -5.880 -12.746 1.00 0.00 H new ATOM 1402 N PRO B 37 21.319 -8.796 -10.894 1.00 0.00 N ATOM 1403 CA PRO B 37 22.587 -9.497 -10.838 1.00 0.00 C ATOM 1404 C PRO B 37 23.425 -9.104 -12.050 1.00 0.00 C ATOM 1405 O PRO B 37 22.888 -8.675 -13.069 1.00 0.00 O ATOM 1406 CB PRO B 37 22.219 -10.982 -10.849 1.00 0.00 C ATOM 1407 CG PRO B 37 20.886 -11.008 -11.595 1.00 0.00 C ATOM 1408 CD PRO B 37 20.221 -9.708 -11.150 1.00 0.00 C ATOM 0 HA PRO B 37 23.180 -9.256 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO B 37 22.976 -11.580 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO B 37 22.123 -11.380 -9.839 1.00 0.00 H new ATOM 0 HG2 PRO B 37 21.028 -11.040 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO B 37 20.289 -11.880 -11.326 1.00 0.00 H new ATOM 0 HD2 PRO B 37 19.557 -9.320 -11.922 1.00 0.00 H new ATOM 0 HD3 PRO B 37 19.616 -9.859 -10.256 1.00 0.00 H new ATOM 1416 N LYS B 38 24.747 -9.248 -11.951 1.00 0.00 N ATOM 1417 CA LYS B 38 25.636 -8.875 -13.044 1.00 0.00 C ATOM 1418 C LYS B 38 25.508 -9.844 -14.221 1.00 0.00 C ATOM 1419 O LYS B 38 26.200 -9.699 -15.226 1.00 0.00 O ATOM 1420 CB LYS B 38 27.071 -8.744 -12.524 1.00 0.00 C ATOM 1421 CG LYS B 38 27.083 -7.697 -11.405 1.00 0.00 C ATOM 1422 CD LYS B 38 28.501 -7.262 -11.037 1.00 0.00 C ATOM 1423 CE LYS B 38 28.428 -6.262 -9.885 1.00 0.00 C ATOM 1424 NZ LYS B 38 29.752 -5.691 -9.575 1.00 0.00 N ATOM 0 H LYS B 38 25.221 -9.619 -11.128 1.00 0.00 H new ATOM 0 HA LYS B 38 25.341 -7.900 -13.432 1.00 0.00 H new ATOM 0 HB2 LYS B 38 27.429 -9.703 -12.150 1.00 0.00 H new ATOM 0 HB3 LYS B 38 27.741 -8.446 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.507 -6.826 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.589 -8.105 -10.523 1.00 0.00 H new ATOM 0 HD2 LYS B 38 29.098 -8.127 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS B 38 28.992 -6.810 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS B 38 27.737 -5.460 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS B 38 28.028 -6.755 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 29.664 -5.017 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 30.405 -6.454 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 30.123 -5.199 -10.413 1.00 0.00 H new ATOM 1438 N ASP B 39 24.618 -10.834 -14.093 1.00 0.00 N ATOM 1439 CA ASP B 39 24.269 -11.761 -15.161 1.00 0.00 C ATOM 1440 C ASP B 39 23.458 -11.062 -16.254 1.00 0.00 C ATOM 1441 O ASP B 39 23.312 -11.599 -17.351 1.00 0.00 O ATOM 1442 CB ASP B 39 23.426 -12.889 -14.566 1.00 0.00 C ATOM 1443 CG ASP B 39 23.207 -14.024 -15.564 1.00 0.00 C ATOM 1444 OD1 ASP B 39 24.222 -14.612 -16.001 1.00 0.00 O ATOM 1445 OD2 ASP B 39 22.029 -14.295 -15.884 1.00 0.00 O ATOM 0 H ASP B 39 24.113 -11.012 -13.225 1.00 0.00 H new ATOM 0 HA ASP B 39 25.186 -12.148 -15.605 1.00 0.00 H new ATOM 0 HB2 ASP B 39 23.918 -13.279 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP B 39 22.461 -12.493 -14.249 1.00 0.00 H new ATOM 1450 N VAL B 40 22.934 -9.868 -15.959 1.00 0.00 N ATOM 1451 CA VAL B 40 22.113 -9.106 -16.890 1.00 0.00 C ATOM 1452 C VAL B 40 22.625 -7.672 -16.980 1.00 0.00 C ATOM 1453 O VAL B 40 23.481 -7.264 -16.193 1.00 0.00 O ATOM 1454 CB VAL B 40 20.637 -9.153 -16.464 1.00 0.00 C ATOM 1455 CG1 VAL B 40 20.173 -10.596 -16.261 1.00 0.00 C ATOM 1456 CG2 VAL B 40 20.398 -8.407 -15.153 1.00 0.00 C ATOM 0 H VAL B 40 23.072 -9.405 -15.061 1.00 0.00 H new ATOM 0 HA VAL B 40 22.184 -9.553 -17.882 1.00 0.00 H new ATOM 0 HB VAL B 40 20.075 -8.676 -17.267 1.00 0.00 H new ATOM 0 HG11 VAL B 40 19.125 -10.602 -15.960 1.00 0.00 H new ATOM 0 HG12 VAL B 40 20.286 -11.149 -17.193 1.00 0.00 H new ATOM 0 HG13 VAL B 40 20.776 -11.066 -15.485 1.00 0.00 H new ATOM 0 HG21 VAL B 40 19.342 -8.465 -14.889 1.00 0.00 H new ATOM 0 HG22 VAL B 40 20.996 -8.860 -14.362 1.00 0.00 H new ATOM 0 HG23 VAL B 40 20.685 -7.362 -15.271 1.00 0.00 H new ATOM 1466 N ALA B 41 22.104 -6.902 -17.938 1.00 0.00 N ATOM 1467 CA ALA B 41 22.560 -5.542 -18.163 1.00 0.00 C ATOM 1468 C ALA B 41 21.510 -4.523 -17.727 1.00 0.00 C ATOM 1469 O ALA B 41 20.331 -4.849 -17.596 1.00 0.00 O ATOM 1470 CB ALA B 41 22.902 -5.376 -19.642 1.00 0.00 C ATOM 0 H ALA B 41 21.363 -7.206 -18.569 1.00 0.00 H new ATOM 0 HA ALA B 41 23.449 -5.359 -17.560 1.00 0.00 H new ATOM 0 HB1 ALA B 41 23.246 -4.358 -19.824 1.00 0.00 H new ATOM 0 HB2 ALA B 41 23.689 -6.079 -19.915 1.00 0.00 H new ATOM 0 HB3 ALA B 41 22.015 -5.572 -20.245 1.00 0.00 H new ATOM 1476 N VAL B 42 21.953 -3.282 -17.504 1.00 0.00 N ATOM 1477 CA VAL B 42 21.092 -2.159 -17.154 1.00 0.00 C ATOM 1478 C VAL B 42 21.770 -0.863 -17.595 1.00 0.00 C ATOM 1479 O VAL B 42 22.862 -0.534 -17.134 1.00 0.00 O ATOM 1480 CB VAL B 42 20.761 -2.164 -15.652 1.00 0.00 C ATOM 1481 CG1 VAL B 42 21.933 -2.635 -14.794 1.00 0.00 C ATOM 1482 CG2 VAL B 42 20.332 -0.780 -15.165 1.00 0.00 C ATOM 0 H VAL B 42 22.940 -3.030 -17.564 1.00 0.00 H new ATOM 0 HA VAL B 42 20.139 -2.246 -17.675 1.00 0.00 H new ATOM 0 HB VAL B 42 19.937 -2.868 -15.539 1.00 0.00 H new ATOM 0 HG11 VAL B 42 21.644 -2.619 -13.743 1.00 0.00 H new ATOM 0 HG12 VAL B 42 22.208 -3.651 -15.079 1.00 0.00 H new ATOM 0 HG13 VAL B 42 22.785 -1.972 -14.946 1.00 0.00 H new ATOM 0 HG21 VAL B 42 20.106 -0.823 -14.099 1.00 0.00 H new ATOM 0 HG22 VAL B 42 21.139 -0.068 -15.337 1.00 0.00 H new ATOM 0 HG23 VAL B 42 19.444 -0.461 -15.711 1.00 0.00 H new ATOM 1492 N HIS B 43 21.112 -0.128 -18.495 1.00 0.00 N ATOM 1493 CA HIS B 43 21.623 1.125 -19.035 1.00 0.00 C ATOM 1494 C HIS B 43 20.480 2.115 -19.262 1.00 0.00 C ATOM 1495 O HIS B 43 19.311 1.734 -19.238 1.00 0.00 O ATOM 1496 CB HIS B 43 22.337 0.854 -20.363 1.00 0.00 C ATOM 1497 CG HIS B 43 23.515 -0.079 -20.249 1.00 0.00 C ATOM 1498 ND1 HIS B 43 24.843 0.287 -20.225 1.00 0.00 N ATOM 1499 CD2 HIS B 43 23.457 -1.444 -20.154 1.00 0.00 C ATOM 1500 CE1 HIS B 43 25.566 -0.841 -20.095 1.00 0.00 C ATOM 1501 NE2 HIS B 43 24.767 -1.919 -20.052 1.00 0.00 N ATOM 0 H HIS B 43 20.201 -0.392 -18.870 1.00 0.00 H new ATOM 0 HA HIS B 43 22.324 1.557 -18.320 1.00 0.00 H new ATOM 0 HB2 HIS B 43 21.621 0.433 -21.069 1.00 0.00 H new ATOM 0 HB3 HIS B 43 22.677 1.802 -20.780 1.00 0.00 H new ATOM 0 HD2 HIS B 43 22.560 -2.045 -20.157 1.00 0.00 H new ATOM 0 HE1 HIS B 43 26.644 -0.874 -20.034 1.00 0.00 H new ATOM 0 HE2 HIS B 43 25.059 -2.892 -19.963 1.00 0.00 H new ATOM 1509 N ARG B 44 20.816 3.391 -19.482 1.00 0.00 N ATOM 1510 CA ARG B 44 19.832 4.427 -19.789 1.00 0.00 C ATOM 1511 C ARG B 44 19.577 4.498 -21.293 1.00 0.00 C ATOM 1512 O ARG B 44 20.263 3.852 -22.080 1.00 0.00 O ATOM 1513 CB ARG B 44 20.279 5.799 -19.259 1.00 0.00 C ATOM 1514 CG ARG B 44 21.704 5.807 -18.714 1.00 0.00 C ATOM 1515 CD ARG B 44 22.188 7.242 -18.575 1.00 0.00 C ATOM 1516 NE ARG B 44 23.498 7.297 -17.934 1.00 0.00 N ATOM 1517 CZ ARG B 44 24.437 8.190 -18.247 1.00 0.00 C ATOM 1518 NH1 ARG B 44 24.202 9.162 -19.126 1.00 0.00 N ATOM 1519 NH2 ARG B 44 25.628 8.103 -17.669 1.00 0.00 N ATOM 0 H ARG B 44 21.777 3.731 -19.452 1.00 0.00 H new ATOM 0 HA ARG B 44 18.902 4.159 -19.287 1.00 0.00 H new ATOM 0 HB2 ARG B 44 20.202 6.532 -20.062 1.00 0.00 H new ATOM 0 HB3 ARG B 44 19.595 6.115 -18.471 1.00 0.00 H new ATOM 0 HG2 ARG B 44 21.737 5.306 -17.747 1.00 0.00 H new ATOM 0 HG3 ARG B 44 22.363 5.253 -19.383 1.00 0.00 H new ATOM 0 HD2 ARG B 44 22.242 7.707 -19.559 1.00 0.00 H new ATOM 0 HD3 ARG B 44 21.469 7.816 -17.990 1.00 0.00 H new ATOM 0 HE ARG B 44 23.707 6.614 -17.206 1.00 0.00 H new ATOM 0 HH11 ARG B 44 23.289 9.234 -19.575 1.00 0.00 H new ATOM 0 HH12 ARG B 44 24.935 9.835 -19.351 1.00 0.00 H new ATOM 0 HH21 ARG B 44 25.815 7.360 -16.995 1.00 0.00 H new ATOM 0 HH22 ARG B 44 26.357 8.779 -17.898 1.00 0.00 H new