USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -90:sc= 0.0448 USER MOD Set 1.2: B 51 THR OG1 : rot 49:sc= 0.482 USER MOD Set 2.1: B 44 THR OG1 : rot -40:sc= 1.32 USER MOD Set 2.2: B 53 THR OG1 : rot 89:sc= 1.01 USER MOD Set 3.1: B 2 GLN :FLIP amide:sc= -2.41! F(o=-3,f=-2!) USER MOD Set 3.2: B 17 THR OG1 : rot 29:sc= 0.379 USER MOD Set 4.1: A 49 THR OG1 : rot -90:sc= 0.0451 USER MOD Set 4.2: A 51 THR OG1 : rot 52:sc= 0.481 USER MOD Set 5.1: A 50 LYS NZ :NH3+ 162:sc= -2.79! (180deg=-3.61!) USER MOD Set 5.2: B 1 MET CE :methyl 172:sc= -1.91 (180deg=-1.96!) USER MOD Set 6.1: A 44 THR OG1 : rot -40:sc= 1.35 USER MOD Set 6.2: A 53 THR OG1 : rot 92:sc= 0.93 USER MOD Set 7.1: A 2 GLN :FLIP amide:sc= -2.39! F(o=-3,f=-2!) USER MOD Set 7.2: A 17 THR OG1 : rot 27:sc= 0.369 USER MOD Set 8.1: A 1 MET CE :methyl 170:sc= -1.81 (180deg=-1.94!) USER MOD Set 8.2: B 50 LYS NZ :NH3+ 164:sc= -2.81! (180deg=-3.81!) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.228 (180deg=0.147) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 4 LYS NZ :NH3+ -135:sc= -1.11 (180deg=-3.43!) USER MOD Single : A 8 ASN : amide:sc= -5.01! C(o=-5!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.11! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 160:sc= -5.34! USER MOD Single : A 18 THR OG1 : rot 33:sc= 0.64 USER MOD Single : A 25 THR OG1 : rot -13:sc= -0.511! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0401 (180deg=-0.274) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0348) USER MOD Single : A 32 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.9!) USER MOD Single : A 35 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.6!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.7 F(o=-4.2!,f=-3.7) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -165:sc= 0.228 (180deg=0.146) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.3 USER MOD Single : B 4 LYS NZ :NH3+ -136:sc= -1.06 (180deg=-3.42!) USER MOD Single : B 8 ASN : amide:sc= -5.01! C(o=-5!,f=-11!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.13! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -5.39! USER MOD Single : B 18 THR OG1 : rot 33:sc= 0.641 USER MOD Single : B 25 THR OG1 : rot -5:sc= -0.445! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.031 (180deg=-0.273) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0314) USER MOD Single : B 32 GLN : amide:sc= -1.26! C(o=-1.3!,f=-2.8!) USER MOD Single : B 35 ASN : amide:sc= -4.75! C(o=-4.7!,f=-4.5!) USER MOD Single : B 37 ASN :FLIP amide:sc= -3.75 F(o=-4.3!,f=-3.7) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.381 -18.430 2.700 1.00 0.00 N ATOM 2 CA MET A 1 6.261 -17.874 1.639 1.00 0.00 C ATOM 3 C MET A 1 6.240 -16.349 1.659 1.00 0.00 C ATOM 4 O MET A 1 5.258 -15.739 2.080 1.00 0.00 O ATOM 5 CB MET A 1 5.777 -18.394 0.285 1.00 0.00 C ATOM 6 CG MET A 1 6.683 -18.015 -0.875 1.00 0.00 C ATOM 7 SD MET A 1 8.350 -18.680 -0.698 1.00 0.00 S ATOM 8 CE MET A 1 9.104 -18.123 -2.225 1.00 0.00 C ATOM 0 H1 MET A 1 5.599 -19.437 2.839 1.00 0.00 H new ATOM 0 H2 MET A 1 5.542 -17.915 3.589 1.00 0.00 H new ATOM 0 H3 MET A 1 4.386 -18.327 2.415 1.00 0.00 H new ATOM 0 HA MET A 1 7.288 -18.192 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.696 -19.480 0.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.776 -18.007 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.247 -18.379 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.735 -16.929 -0.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.179 -18.300 -2.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.676 -18.672 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.917 -17.057 -2.356 1.00 0.00 H new ATOM 20 N GLN A 2 7.331 -15.741 1.206 1.00 0.00 N ATOM 21 CA GLN A 2 7.438 -14.286 1.178 1.00 0.00 C ATOM 22 C GLN A 2 7.259 -13.752 -0.240 1.00 0.00 C ATOM 23 O GLN A 2 7.916 -14.215 -1.173 1.00 0.00 O ATOM 24 CB GLN A 2 8.798 -13.850 1.728 1.00 0.00 C ATOM 25 CG GLN A 2 8.945 -12.342 1.885 1.00 0.00 C ATOM 26 CD GLN A 2 8.054 -11.744 2.967 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.342 -12.584 3.715 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 8.019 -10.525 3.142 1.00 0.00 N flip ATOM 0 H GLN A 2 8.153 -16.232 0.854 1.00 0.00 H new ATOM 0 HA GLN A 2 6.646 -13.875 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.956 -14.324 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.582 -14.214 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.985 -12.110 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.715 -11.863 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.577 -9.909 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.432 -10.132 3.878 1.00 0.00 H new ATOM 37 N TYR A 3 6.375 -12.770 -0.396 1.00 0.00 N ATOM 38 CA TYR A 3 6.120 -12.169 -1.700 1.00 0.00 C ATOM 39 C TYR A 3 6.342 -10.663 -1.648 1.00 0.00 C ATOM 40 O TYR A 3 6.119 -10.028 -0.615 1.00 0.00 O ATOM 41 CB TYR A 3 4.694 -12.472 -2.160 1.00 0.00 C ATOM 42 CG TYR A 3 4.436 -13.941 -2.404 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.035 -14.778 -1.371 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.592 -14.492 -3.671 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.799 -16.121 -1.590 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.358 -15.834 -3.899 1.00 0.00 C ATOM 47 CZ TYR A 3 3.961 -16.645 -2.856 1.00 0.00 C ATOM 48 OH TYR A 3 3.728 -17.983 -3.079 1.00 0.00 O ATOM 0 H TYR A 3 5.824 -12.374 0.365 1.00 0.00 H new ATOM 0 HA TYR A 3 6.819 -12.601 -2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.994 -12.109 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.492 -11.919 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.905 -14.372 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.901 -13.860 -4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.489 -16.758 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.485 -16.246 -4.889 1.00 0.00 H new ATOM 0 HH TYR A 3 3.886 -18.190 -4.024 1.00 0.00 H new ATOM 58 N LYS A 4 6.782 -10.091 -2.766 1.00 0.00 N ATOM 59 CA LYS A 4 7.034 -8.657 -2.834 1.00 0.00 C ATOM 60 C LYS A 4 5.952 -7.953 -3.641 1.00 0.00 C ATOM 61 O LYS A 4 5.932 -8.027 -4.867 1.00 0.00 O ATOM 62 CB LYS A 4 8.407 -8.389 -3.450 1.00 0.00 C ATOM 63 CG LYS A 4 8.777 -6.916 -3.492 1.00 0.00 C ATOM 64 CD LYS A 4 10.159 -6.704 -4.091 1.00 0.00 C ATOM 65 CE LYS A 4 10.547 -5.234 -4.092 1.00 0.00 C ATOM 66 NZ LYS A 4 9.582 -4.400 -4.860 1.00 0.00 N ATOM 0 H LYS A 4 6.970 -10.596 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 4 7.017 -8.261 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.163 -8.929 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.426 -8.789 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.038 -6.371 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.750 -6.504 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.894 -7.275 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.177 -7.087 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.600 -4.873 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.543 -5.123 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.104 -3.739 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.983 -5.014 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.984 -3.863 -4.199 1.00 0.00 H new ATOM 80 N VAL A 5 5.057 -7.263 -2.947 1.00 0.00 N ATOM 81 CA VAL A 5 3.977 -6.546 -3.603 1.00 0.00 C ATOM 82 C VAL A 5 4.360 -5.090 -3.831 1.00 0.00 C ATOM 83 O VAL A 5 4.801 -4.402 -2.913 1.00 0.00 O ATOM 84 CB VAL A 5 2.675 -6.617 -2.780 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.564 -5.824 -3.452 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.253 -8.065 -2.574 1.00 0.00 C ATOM 0 H VAL A 5 5.059 -7.186 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 5 3.804 -7.026 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 5 2.864 -6.171 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.656 -5.890 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.865 -4.780 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.374 -6.233 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.332 -8.096 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.086 -8.537 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.038 -8.601 -2.041 1.00 0.00 H new ATOM 96 N ILE A 6 4.187 -4.629 -5.062 1.00 0.00 N ATOM 97 CA ILE A 6 4.514 -3.254 -5.409 1.00 0.00 C ATOM 98 C ILE A 6 3.246 -2.456 -5.688 1.00 0.00 C ATOM 99 O ILE A 6 2.366 -2.900 -6.426 1.00 0.00 O ATOM 100 CB ILE A 6 5.455 -3.189 -6.631 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.730 -3.987 -6.355 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.805 -1.746 -6.966 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.670 -4.050 -7.538 1.00 0.00 C ATOM 0 H ILE A 6 3.823 -5.186 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 6 5.032 -2.815 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 6 4.939 -3.626 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.253 -3.541 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.458 -5.001 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.469 -1.724 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.893 -1.194 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.304 -1.285 -6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.553 -4.631 -7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.165 -4.524 -8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.971 -3.040 -7.817 1.00 0.00 H new ATOM 115 N LEU A 7 3.158 -1.280 -5.080 1.00 0.00 N ATOM 116 CA LEU A 7 1.999 -0.415 -5.245 1.00 0.00 C ATOM 117 C LEU A 7 2.359 0.796 -6.103 1.00 0.00 C ATOM 118 O LEU A 7 2.851 1.805 -5.595 1.00 0.00 O ATOM 119 CB LEU A 7 1.496 0.028 -3.868 1.00 0.00 C ATOM 120 CG LEU A 7 1.441 -1.083 -2.823 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.925 -0.540 -1.499 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.569 -2.227 -3.321 1.00 0.00 C ATOM 0 H LEU A 7 3.879 -0.903 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 7 1.206 -0.965 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.142 0.824 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.499 0.453 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 7 2.448 -1.466 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.892 -1.344 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.590 0.248 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.077 -0.134 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.537 -3.014 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.441 -1.861 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.986 -2.626 -4.246 1.00 0.00 H new ATOM 134 N ASN A 8 2.134 0.681 -7.411 1.00 0.00 N ATOM 135 CA ASN A 8 2.460 1.759 -8.342 1.00 0.00 C ATOM 136 C ASN A 8 1.248 2.633 -8.654 1.00 0.00 C ATOM 137 O ASN A 8 0.347 2.224 -9.382 1.00 0.00 O ATOM 138 CB ASN A 8 3.018 1.184 -9.646 1.00 0.00 C ATOM 139 CG ASN A 8 4.239 0.317 -9.425 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.161 -0.723 -8.775 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.374 0.745 -9.965 1.00 0.00 N ATOM 0 H ASN A 8 1.728 -0.146 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 8 3.212 2.383 -7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.244 0.596 -10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.275 2.002 -10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.230 0.203 -9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.389 1.615 -10.497 1.00 0.00 H new ATOM 148 N GLY A 9 1.237 3.843 -8.113 1.00 0.00 N ATOM 149 CA GLY A 9 0.138 4.752 -8.364 1.00 0.00 C ATOM 150 C GLY A 9 0.553 5.933 -9.206 1.00 0.00 C ATOM 151 O GLY A 9 1.693 6.008 -9.666 1.00 0.00 O ATOM 0 H GLY A 9 1.969 4.211 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.667 4.215 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.260 5.108 -7.414 1.00 0.00 H new ATOM 155 N LYS A 10 -0.367 6.866 -9.399 1.00 0.00 N ATOM 156 CA LYS A 10 -0.078 8.055 -10.177 1.00 0.00 C ATOM 157 C LYS A 10 0.712 9.044 -9.330 1.00 0.00 C ATOM 158 O LYS A 10 1.789 9.498 -9.716 1.00 0.00 O ATOM 159 CB LYS A 10 -1.376 8.702 -10.666 1.00 0.00 C ATOM 160 CG LYS A 10 -2.141 7.853 -11.666 1.00 0.00 C ATOM 161 CD LYS A 10 -3.504 8.451 -11.977 1.00 0.00 C ATOM 162 CE LYS A 10 -3.382 9.847 -12.565 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.715 10.447 -12.854 1.00 0.00 N ATOM 0 H LYS A 10 -1.316 6.821 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 10 0.516 7.772 -11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.017 8.903 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.143 9.664 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.563 7.763 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.266 6.846 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.034 7.806 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.101 8.490 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.839 10.487 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.796 9.804 -13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.588 11.399 -13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.224 9.850 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.265 10.512 -11.974 1.00 0.00 H new ATOM 177 N THR A 11 0.157 9.371 -8.168 1.00 0.00 N ATOM 178 CA THR A 11 0.771 10.298 -7.238 1.00 0.00 C ATOM 179 C THR A 11 1.419 9.562 -6.073 1.00 0.00 C ATOM 180 O THR A 11 1.969 10.185 -5.165 1.00 0.00 O ATOM 181 CB THR A 11 -0.292 11.257 -6.713 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.505 10.562 -6.473 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.586 12.409 -7.649 1.00 0.00 C ATOM 0 H THR A 11 -0.736 8.996 -7.848 1.00 0.00 H new ATOM 0 HA THR A 11 1.550 10.852 -7.762 1.00 0.00 H new ATOM 0 HB THR A 11 0.117 11.672 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.261 11.116 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.351 13.049 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.323 12.988 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.942 12.021 -8.603 1.00 0.00 H new ATOM 191 N LEU A 12 1.346 8.235 -6.095 1.00 0.00 N ATOM 192 CA LEU A 12 1.921 7.434 -5.030 1.00 0.00 C ATOM 193 C LEU A 12 2.671 6.227 -5.584 1.00 0.00 C ATOM 194 O LEU A 12 2.223 5.581 -6.529 1.00 0.00 O ATOM 195 CB LEU A 12 0.827 6.981 -4.065 1.00 0.00 C ATOM 196 CG LEU A 12 1.312 6.114 -2.911 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.463 6.803 -2.202 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.174 5.824 -1.944 1.00 0.00 C ATOM 0 H LEU A 12 0.896 7.698 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 12 2.638 8.054 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.335 7.863 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.074 6.427 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 12 1.664 5.161 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.807 6.180 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.282 6.960 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.128 7.765 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.541 5.203 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.211 6.762 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.624 5.299 -2.469 1.00 0.00 H new ATOM 210 N LYS A 13 3.816 5.933 -4.978 1.00 0.00 N ATOM 211 CA LYS A 13 4.643 4.805 -5.395 1.00 0.00 C ATOM 212 C LYS A 13 5.322 4.168 -4.187 1.00 0.00 C ATOM 213 O LYS A 13 5.744 4.870 -3.270 1.00 0.00 O ATOM 214 CB LYS A 13 5.693 5.273 -6.403 1.00 0.00 C ATOM 215 CG LYS A 13 5.093 5.857 -7.672 1.00 0.00 C ATOM 216 CD LYS A 13 6.158 6.466 -8.568 1.00 0.00 C ATOM 217 CE LYS A 13 6.841 7.647 -7.896 1.00 0.00 C ATOM 218 NZ LYS A 13 7.844 8.295 -8.788 1.00 0.00 N ATOM 0 H LYS A 13 4.194 6.463 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 13 4.005 4.058 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.329 6.023 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.334 4.431 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.562 5.076 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.358 6.619 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.901 5.709 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.705 6.791 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.090 8.380 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.332 7.310 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.285 9.095 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.575 7.603 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.372 8.640 -9.648 1.00 0.00 H new ATOM 232 N GLY A 14 5.430 2.842 -4.183 1.00 0.00 N ATOM 233 CA GLY A 14 6.066 2.166 -3.066 1.00 0.00 C ATOM 234 C GLY A 14 6.205 0.669 -3.263 1.00 0.00 C ATOM 235 O GLY A 14 5.900 0.140 -4.332 1.00 0.00 O ATOM 0 H GLY A 14 5.092 2.229 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.055 2.597 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.487 2.353 -2.161 1.00 0.00 H new ATOM 239 N GLU A 15 6.661 -0.009 -2.213 1.00 0.00 N ATOM 240 CA GLU A 15 6.841 -1.457 -2.240 1.00 0.00 C ATOM 241 C GLU A 15 6.395 -2.064 -0.914 1.00 0.00 C ATOM 242 O GLU A 15 6.457 -1.412 0.128 1.00 0.00 O ATOM 243 CB GLU A 15 8.305 -1.820 -2.517 1.00 0.00 C ATOM 244 CG GLU A 15 8.825 -1.311 -3.854 1.00 0.00 C ATOM 245 CD GLU A 15 9.083 0.183 -3.860 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.962 0.815 -2.789 1.00 0.00 O ATOM 247 OE2 GLU A 15 9.418 0.722 -4.935 1.00 0.00 O ATOM 0 H GLU A 15 6.914 0.426 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 15 6.228 -1.864 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.927 -1.415 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.412 -2.904 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.749 -1.834 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.103 -1.552 -4.634 1.00 0.00 H new ATOM 254 N THR A 16 5.933 -3.307 -0.960 1.00 0.00 N ATOM 255 CA THR A 16 5.463 -3.993 0.236 1.00 0.00 C ATOM 256 C THR A 16 5.655 -5.505 0.117 1.00 0.00 C ATOM 257 O THR A 16 5.938 -6.015 -0.965 1.00 0.00 O ATOM 258 CB THR A 16 3.996 -3.639 0.491 1.00 0.00 C ATOM 259 OG1 THR A 16 3.389 -4.602 1.316 1.00 0.00 O ATOM 260 CG2 THR A 16 3.167 -3.520 -0.770 1.00 0.00 C ATOM 0 H THR A 16 5.874 -3.861 -1.814 1.00 0.00 H new ATOM 0 HA THR A 16 6.056 -3.660 1.087 1.00 0.00 H new ATOM 0 HB THR A 16 4.020 -2.662 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.585 -4.221 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.140 -3.267 -0.508 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.582 -2.738 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.182 -4.469 -1.306 1.00 0.00 H new ATOM 268 N THR A 17 5.520 -6.217 1.238 1.00 0.00 N ATOM 269 CA THR A 17 5.704 -7.670 1.241 1.00 0.00 C ATOM 270 C THR A 17 4.744 -8.394 2.189 1.00 0.00 C ATOM 271 O THR A 17 4.740 -8.153 3.397 1.00 0.00 O ATOM 272 CB THR A 17 7.144 -8.008 1.624 1.00 0.00 C ATOM 273 OG1 THR A 17 7.453 -7.496 2.908 1.00 0.00 O ATOM 274 CG2 THR A 17 8.168 -7.467 0.653 1.00 0.00 C ATOM 0 H THR A 17 5.286 -5.816 2.146 1.00 0.00 H new ATOM 0 HA THR A 17 5.483 -8.017 0.231 1.00 0.00 H new ATOM 0 HB THR A 17 7.198 -9.097 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.632 -7.427 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.168 -7.744 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.987 -7.885 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.089 -6.381 0.608 1.00 0.00 H new ATOM 282 N THR A 18 3.951 -9.303 1.623 1.00 0.00 N ATOM 283 CA THR A 18 2.997 -10.102 2.392 1.00 0.00 C ATOM 284 C THR A 18 3.470 -11.554 2.451 1.00 0.00 C ATOM 285 O THR A 18 4.061 -12.058 1.496 1.00 0.00 O ATOM 286 CB THR A 18 1.608 -10.036 1.750 1.00 0.00 C ATOM 287 OG1 THR A 18 0.653 -10.682 2.570 1.00 0.00 O ATOM 288 CG2 THR A 18 1.547 -10.674 0.378 1.00 0.00 C ATOM 0 H THR A 18 3.951 -9.506 0.623 1.00 0.00 H new ATOM 0 HA THR A 18 2.936 -9.699 3.403 1.00 0.00 H new ATOM 0 HB THR A 18 1.387 -8.974 1.643 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.901 -10.570 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.535 -10.591 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.240 -10.165 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.822 -11.726 0.453 1.00 0.00 H new ATOM 296 N GLU A 19 3.216 -12.226 3.569 1.00 0.00 N ATOM 297 CA GLU A 19 3.631 -13.618 3.725 1.00 0.00 C ATOM 298 C GLU A 19 2.429 -14.552 3.631 1.00 0.00 C ATOM 299 O GLU A 19 1.504 -14.470 4.439 1.00 0.00 O ATOM 300 CB GLU A 19 4.353 -13.808 5.064 1.00 0.00 C ATOM 301 CG GLU A 19 4.965 -15.189 5.247 1.00 0.00 C ATOM 302 CD GLU A 19 3.948 -16.252 5.624 1.00 0.00 C ATOM 303 OE1 GLU A 19 2.788 -15.893 5.915 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.319 -17.444 5.649 1.00 0.00 O ATOM 0 H GLU A 19 2.729 -11.835 4.375 1.00 0.00 H new ATOM 0 HA GLU A 19 4.320 -13.866 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.140 -13.059 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.648 -13.624 5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.462 -15.484 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.732 -15.139 6.020 1.00 0.00 H new ATOM 311 N ALA A 20 2.437 -15.434 2.633 1.00 0.00 N ATOM 312 CA ALA A 20 1.338 -16.372 2.439 1.00 0.00 C ATOM 313 C ALA A 20 1.810 -17.686 1.816 1.00 0.00 C ATOM 314 O ALA A 20 2.809 -17.727 1.099 1.00 0.00 O ATOM 315 CB ALA A 20 0.258 -15.739 1.578 1.00 0.00 C ATOM 0 H ALA A 20 3.190 -15.517 1.950 1.00 0.00 H new ATOM 0 HA ALA A 20 0.927 -16.606 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.558 -16.448 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.120 -14.842 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.676 -15.472 0.607 1.00 0.00 H new ATOM 321 N VAL A 21 1.086 -18.759 2.122 1.00 0.00 N ATOM 322 CA VAL A 21 1.416 -20.094 1.624 1.00 0.00 C ATOM 323 C VAL A 21 1.615 -20.101 0.107 1.00 0.00 C ATOM 324 O VAL A 21 2.344 -20.939 -0.425 1.00 0.00 O ATOM 325 CB VAL A 21 0.309 -21.104 1.979 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.736 -22.518 1.618 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.054 -21.001 3.453 1.00 0.00 C ATOM 0 H VAL A 21 0.259 -18.730 2.718 1.00 0.00 H new ATOM 0 HA VAL A 21 2.350 -20.383 2.106 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.579 -20.863 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.060 -23.216 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.935 -22.576 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.639 -22.777 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.838 -21.722 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.826 -21.213 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.411 -19.994 3.670 1.00 0.00 H new ATOM 337 N ASP A 22 0.975 -19.162 -0.579 1.00 0.00 N ATOM 338 CA ASP A 22 1.100 -19.065 -2.032 1.00 0.00 C ATOM 339 C ASP A 22 0.822 -17.648 -2.523 1.00 0.00 C ATOM 340 O ASP A 22 0.434 -16.776 -1.747 1.00 0.00 O ATOM 341 CB ASP A 22 0.163 -20.059 -2.723 1.00 0.00 C ATOM 342 CG ASP A 22 -1.254 -19.987 -2.194 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.455 -20.307 -1.006 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.159 -19.611 -2.966 1.00 0.00 O ATOM 0 H ASP A 22 0.367 -18.460 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 22 2.129 -19.315 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.157 -19.862 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.547 -21.070 -2.587 1.00 0.00 H new ATOM 349 N ALA A 23 1.030 -17.425 -3.817 1.00 0.00 N ATOM 350 CA ALA A 23 0.808 -16.113 -4.410 1.00 0.00 C ATOM 351 C ALA A 23 -0.634 -15.668 -4.227 1.00 0.00 C ATOM 352 O ALA A 23 -0.897 -14.512 -3.898 1.00 0.00 O ATOM 353 CB ALA A 23 1.180 -16.128 -5.885 1.00 0.00 C ATOM 0 H ALA A 23 1.352 -18.136 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 23 1.448 -15.396 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.008 -15.141 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.232 -16.392 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.566 -16.862 -6.408 1.00 0.00 H new ATOM 359 N ALA A 24 -1.565 -16.588 -4.432 1.00 0.00 N ATOM 360 CA ALA A 24 -2.977 -16.277 -4.276 1.00 0.00 C ATOM 361 C ALA A 24 -3.263 -15.875 -2.840 1.00 0.00 C ATOM 362 O ALA A 24 -3.764 -14.782 -2.583 1.00 0.00 O ATOM 363 CB ALA A 24 -3.838 -17.463 -4.687 1.00 0.00 C ATOM 0 H ALA A 24 -1.369 -17.551 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.226 -15.441 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.891 -17.209 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.645 -17.708 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.596 -18.322 -4.062 1.00 0.00 H new ATOM 369 N THR A 25 -2.911 -16.748 -1.898 1.00 0.00 N ATOM 370 CA THR A 25 -3.103 -16.452 -0.490 1.00 0.00 C ATOM 371 C THR A 25 -2.497 -15.092 -0.182 1.00 0.00 C ATOM 372 O THR A 25 -3.114 -14.260 0.483 1.00 0.00 O ATOM 373 CB THR A 25 -2.470 -17.537 0.380 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.126 -17.779 0.001 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.214 -18.853 0.330 1.00 0.00 C ATOM 0 H THR A 25 -2.494 -17.659 -2.088 1.00 0.00 H new ATOM 0 HA THR A 25 -4.170 -16.430 -0.266 1.00 0.00 H new ATOM 0 HB THR A 25 -2.519 -17.150 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.951 -17.361 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.712 -19.579 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.236 -18.707 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.231 -19.223 -0.695 1.00 0.00 H new ATOM 383 N ALA A 26 -1.295 -14.860 -0.707 1.00 0.00 N ATOM 384 CA ALA A 26 -0.623 -13.585 -0.521 1.00 0.00 C ATOM 385 C ALA A 26 -1.476 -12.480 -1.123 1.00 0.00 C ATOM 386 O ALA A 26 -1.795 -11.495 -0.457 1.00 0.00 O ATOM 387 CB ALA A 26 0.759 -13.610 -1.157 1.00 0.00 C ATOM 0 H ALA A 26 -0.772 -15.538 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.493 -13.396 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.246 -12.646 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.358 -14.395 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.665 -13.806 -2.225 1.00 0.00 H new ATOM 393 N GLU A 27 -1.858 -12.656 -2.389 1.00 0.00 N ATOM 394 CA GLU A 27 -2.693 -11.685 -3.082 1.00 0.00 C ATOM 395 C GLU A 27 -3.947 -11.379 -2.269 1.00 0.00 C ATOM 396 O GLU A 27 -4.307 -10.218 -2.073 1.00 0.00 O ATOM 397 CB GLU A 27 -3.082 -12.215 -4.462 1.00 0.00 C ATOM 398 CG GLU A 27 -3.944 -11.253 -5.263 1.00 0.00 C ATOM 399 CD GLU A 27 -4.323 -11.801 -6.625 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.912 -12.935 -6.946 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.034 -11.093 -7.371 1.00 0.00 O ATOM 0 H GLU A 27 -1.599 -13.466 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.123 -10.764 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.176 -12.434 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.618 -13.157 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.851 -11.030 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.409 -10.312 -5.391 1.00 0.00 H new ATOM 408 N LYS A 28 -4.602 -12.433 -1.790 1.00 0.00 N ATOM 409 CA LYS A 28 -5.809 -12.280 -0.988 1.00 0.00 C ATOM 410 C LYS A 28 -5.490 -11.531 0.296 1.00 0.00 C ATOM 411 O LYS A 28 -6.215 -10.620 0.694 1.00 0.00 O ATOM 412 CB LYS A 28 -6.415 -13.647 -0.663 1.00 0.00 C ATOM 413 CG LYS A 28 -6.830 -14.429 -1.897 1.00 0.00 C ATOM 414 CD LYS A 28 -7.795 -13.630 -2.755 1.00 0.00 C ATOM 415 CE LYS A 28 -8.218 -14.407 -3.990 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.898 -15.684 -3.637 1.00 0.00 N ATOM 0 H LYS A 28 -4.317 -13.400 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.537 -11.707 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.691 -14.233 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.284 -13.508 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.947 -14.686 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.297 -15.367 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.676 -13.371 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.326 -12.694 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.888 -13.794 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.342 -14.620 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.377 -16.066 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.194 -16.370 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.599 -15.509 -2.889 1.00 0.00 H new ATOM 430 N VAL A 29 -4.387 -11.913 0.933 1.00 0.00 N ATOM 431 CA VAL A 29 -3.959 -11.267 2.163 1.00 0.00 C ATOM 432 C VAL A 29 -3.698 -9.790 1.916 1.00 0.00 C ATOM 433 O VAL A 29 -4.044 -8.941 2.737 1.00 0.00 O ATOM 434 CB VAL A 29 -2.690 -11.932 2.738 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.214 -11.200 3.982 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.950 -13.400 3.044 1.00 0.00 C ATOM 0 H VAL A 29 -3.776 -12.666 0.616 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.761 -11.378 2.893 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.902 -11.871 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.319 -11.686 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.984 -10.165 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.997 -11.223 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.045 -13.853 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.755 -13.482 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.237 -13.917 2.128 1.00 0.00 H new ATOM 446 N VAL A 30 -3.115 -9.486 0.765 1.00 0.00 N ATOM 447 CA VAL A 30 -2.846 -8.108 0.402 1.00 0.00 C ATOM 448 C VAL A 30 -4.170 -7.388 0.179 1.00 0.00 C ATOM 449 O VAL A 30 -4.407 -6.318 0.733 1.00 0.00 O ATOM 450 CB VAL A 30 -1.978 -8.013 -0.864 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.646 -6.561 -1.176 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.707 -8.834 -0.703 1.00 0.00 C ATOM 0 H VAL A 30 -2.822 -10.174 0.071 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.292 -7.638 1.215 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.544 -8.421 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.031 -6.513 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.569 -6.003 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.100 -6.125 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.106 -8.755 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.136 -8.458 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.968 -9.878 -0.531 1.00 0.00 H new ATOM 462 N LYS A 31 -5.051 -7.995 -0.620 1.00 0.00 N ATOM 463 CA LYS A 31 -6.367 -7.416 -0.882 1.00 0.00 C ATOM 464 C LYS A 31 -7.009 -6.980 0.427 1.00 0.00 C ATOM 465 O LYS A 31 -7.543 -5.877 0.540 1.00 0.00 O ATOM 466 CB LYS A 31 -7.279 -8.428 -1.575 1.00 0.00 C ATOM 467 CG LYS A 31 -6.934 -8.678 -3.030 1.00 0.00 C ATOM 468 CD LYS A 31 -7.855 -9.726 -3.636 1.00 0.00 C ATOM 469 CE LYS A 31 -7.570 -9.928 -5.115 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.446 -10.973 -5.713 1.00 0.00 N ATOM 0 H LYS A 31 -4.877 -8.882 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.235 -6.554 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.232 -9.373 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.309 -8.076 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.016 -7.748 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.898 -9.009 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.730 -10.671 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.893 -9.421 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.715 -8.986 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.526 -10.210 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.944 -11.441 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.691 -11.677 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.316 -10.532 -6.074 1.00 0.00 H new ATOM 484 N GLN A 32 -6.940 -7.865 1.413 1.00 0.00 N ATOM 485 CA GLN A 32 -7.503 -7.583 2.723 1.00 0.00 C ATOM 486 C GLN A 32 -6.807 -6.368 3.323 1.00 0.00 C ATOM 487 O GLN A 32 -7.426 -5.552 4.005 1.00 0.00 O ATOM 488 CB GLN A 32 -7.352 -8.799 3.638 1.00 0.00 C ATOM 489 CG GLN A 32 -8.306 -8.791 4.819 1.00 0.00 C ATOM 490 CD GLN A 32 -9.758 -8.717 4.384 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.237 -7.665 3.957 1.00 0.00 O ATOM 492 NE2 GLN A 32 -10.456 -9.842 4.460 1.00 0.00 N ATOM 0 H GLN A 32 -6.500 -8.782 1.329 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.566 -7.367 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.516 -9.705 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.328 -8.840 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.152 -9.691 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.078 -7.941 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.019 -10.690 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.430 -9.859 4.158 1.00 0.00 H new ATOM 501 N PHE A 33 -5.511 -6.254 3.042 1.00 0.00 N ATOM 502 CA PHE A 33 -4.705 -5.139 3.522 1.00 0.00 C ATOM 503 C PHE A 33 -5.333 -3.811 3.095 1.00 0.00 C ATOM 504 O PHE A 33 -5.730 -2.999 3.929 1.00 0.00 O ATOM 505 CB PHE A 33 -3.282 -5.261 2.960 1.00 0.00 C ATOM 506 CG PHE A 33 -2.304 -4.302 3.564 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.956 -4.408 4.899 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.741 -3.286 2.803 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.067 -3.519 5.466 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.846 -2.398 3.369 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.512 -2.516 4.702 1.00 0.00 C ATOM 0 H PHE A 33 -4.994 -6.929 2.478 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.664 -5.165 4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.925 -6.278 3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.313 -5.101 1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.385 -5.194 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.005 -3.189 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.806 -3.609 6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.409 -1.613 2.769 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.185 -1.822 5.147 1.00 0.00 H new ATOM 521 N PHE A 34 -5.427 -3.616 1.785 1.00 0.00 N ATOM 522 CA PHE A 34 -6.014 -2.402 1.221 1.00 0.00 C ATOM 523 C PHE A 34 -7.508 -2.357 1.485 1.00 0.00 C ATOM 524 O PHE A 34 -8.059 -1.316 1.835 1.00 0.00 O ATOM 525 CB PHE A 34 -5.713 -2.329 -0.268 1.00 0.00 C ATOM 526 CG PHE A 34 -4.243 -2.386 -0.528 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.392 -1.486 0.091 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.708 -3.354 -1.354 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.032 -1.552 -0.112 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.346 -3.421 -1.566 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.508 -2.518 -0.941 1.00 0.00 C ATOM 0 H PHE A 34 -5.103 -4.286 1.088 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.570 -1.532 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.208 -3.153 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.122 -1.406 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.799 -0.725 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.361 -4.065 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.377 -0.847 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.936 -4.177 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.441 -2.570 -1.103 1.00 0.00 H new ATOM 541 N ASN A 35 -8.156 -3.503 1.345 1.00 0.00 N ATOM 542 CA ASN A 35 -9.586 -3.607 1.600 1.00 0.00 C ATOM 543 C ASN A 35 -9.911 -2.995 2.959 1.00 0.00 C ATOM 544 O ASN A 35 -10.947 -2.359 3.149 1.00 0.00 O ATOM 545 CB ASN A 35 -9.990 -5.079 1.594 1.00 0.00 C ATOM 546 CG ASN A 35 -11.466 -5.280 1.840 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.020 -4.797 2.828 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.104 -6.013 0.946 1.00 0.00 N ATOM 0 H ASN A 35 -7.714 -4.376 1.056 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.135 -3.072 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.723 -5.521 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.423 -5.610 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.100 -6.201 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.601 -6.391 0.144 1.00 0.00 H new ATOM 555 N ASP A 36 -8.996 -3.213 3.898 1.00 0.00 N ATOM 556 CA ASP A 36 -9.138 -2.708 5.262 1.00 0.00 C ATOM 557 C ASP A 36 -8.434 -1.364 5.464 1.00 0.00 C ATOM 558 O ASP A 36 -8.805 -0.601 6.355 1.00 0.00 O ATOM 559 CB ASP A 36 -8.603 -3.732 6.264 1.00 0.00 C ATOM 560 CG ASP A 36 -9.332 -5.059 6.182 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.251 -5.184 5.344 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.986 -5.975 6.957 1.00 0.00 O ATOM 0 H ASP A 36 -8.139 -3.742 3.738 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.202 -2.547 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.540 -3.893 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.697 -3.331 7.273 1.00 0.00 H new ATOM 567 N ASN A 37 -7.430 -1.060 4.639 1.00 0.00 N ATOM 568 CA ASN A 37 -6.717 0.213 4.761 1.00 0.00 C ATOM 569 C ASN A 37 -7.504 1.318 4.074 1.00 0.00 C ATOM 570 O ASN A 37 -7.686 2.406 4.625 1.00 0.00 O ATOM 571 CB ASN A 37 -5.316 0.136 4.143 1.00 0.00 C ATOM 572 CG ASN A 37 -4.391 -0.818 4.871 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.611 -1.585 4.113 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.353 -0.845 6.101 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.096 -1.667 3.890 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.614 0.432 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.402 -0.176 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.872 1.131 4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.969 -0.240 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.705 -1.473 6.578 1.00 0.00 H new ATOM 581 N GLY A 38 -7.955 1.008 2.861 1.00 0.00 N ATOM 582 CA GLY A 38 -8.728 1.925 2.035 1.00 0.00 C ATOM 583 C GLY A 38 -9.150 3.225 2.700 1.00 0.00 C ATOM 584 O GLY A 38 -8.325 4.092 2.981 1.00 0.00 O ATOM 0 H GLY A 38 -7.791 0.102 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.141 2.167 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.624 1.407 1.693 1.00 0.00 H new ATOM 588 N VAL A 39 -10.458 3.381 2.870 1.00 0.00 N ATOM 589 CA VAL A 39 -11.026 4.610 3.412 1.00 0.00 C ATOM 590 C VAL A 39 -11.020 4.717 4.937 1.00 0.00 C ATOM 591 O VAL A 39 -10.536 5.710 5.479 1.00 0.00 O ATOM 592 CB VAL A 39 -12.463 4.807 2.892 1.00 0.00 C ATOM 593 CG1 VAL A 39 -13.118 6.023 3.533 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.462 4.937 1.375 1.00 0.00 C ATOM 0 H VAL A 39 -11.149 2.667 2.639 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.365 5.401 3.058 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.047 3.929 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -14.131 6.137 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.155 5.889 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.538 6.915 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.484 5.076 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.857 5.796 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.044 4.033 0.933 1.00 0.00 H new ATOM 604 N ASP A 40 -11.595 3.748 5.635 1.00 0.00 N ATOM 605 CA ASP A 40 -11.681 3.825 7.096 1.00 0.00 C ATOM 606 C ASP A 40 -10.493 3.188 7.813 1.00 0.00 C ATOM 607 O ASP A 40 -10.623 2.748 8.956 1.00 0.00 O ATOM 608 CB ASP A 40 -12.975 3.168 7.576 1.00 0.00 C ATOM 609 CG ASP A 40 -14.211 3.848 7.019 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.395 5.053 7.285 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.995 3.173 6.318 1.00 0.00 O ATOM 0 H ASP A 40 -12.005 2.909 5.226 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.669 4.886 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.977 2.119 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.010 3.193 8.665 1.00 0.00 H new ATOM 616 N GLY A 41 -9.337 3.147 7.165 1.00 0.00 N ATOM 617 CA GLY A 41 -8.168 2.570 7.805 1.00 0.00 C ATOM 618 C GLY A 41 -7.635 3.458 8.917 1.00 0.00 C ATOM 619 O GLY A 41 -7.969 4.642 8.980 1.00 0.00 O ATOM 0 H GLY A 41 -9.186 3.498 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.423 1.592 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.387 2.412 7.061 1.00 0.00 H new ATOM 623 N GLU A 42 -6.805 2.896 9.795 1.00 0.00 N ATOM 624 CA GLU A 42 -6.230 3.661 10.902 1.00 0.00 C ATOM 625 C GLU A 42 -4.889 4.263 10.491 1.00 0.00 C ATOM 626 O GLU A 42 -3.860 3.587 10.524 1.00 0.00 O ATOM 627 CB GLU A 42 -6.044 2.766 12.128 1.00 0.00 C ATOM 628 CG GLU A 42 -7.337 2.154 12.641 1.00 0.00 C ATOM 629 CD GLU A 42 -7.123 1.273 13.858 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.370 0.282 13.747 1.00 0.00 O ATOM 631 OE2 GLU A 42 -7.706 1.574 14.920 1.00 0.00 O ATOM 0 H GLU A 42 -6.516 1.918 9.762 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.917 4.468 11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.347 1.965 11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.587 3.350 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.037 2.951 12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.796 1.565 11.847 1.00 0.00 H new ATOM 638 N TRP A 43 -4.912 5.527 10.072 1.00 0.00 N ATOM 639 CA TRP A 43 -3.702 6.204 9.619 1.00 0.00 C ATOM 640 C TRP A 43 -3.060 7.059 10.706 1.00 0.00 C ATOM 641 O TRP A 43 -3.649 8.032 11.177 1.00 0.00 O ATOM 642 CB TRP A 43 -4.024 7.102 8.428 1.00 0.00 C ATOM 643 CG TRP A 43 -4.605 6.375 7.258 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.606 5.451 7.279 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.221 6.523 5.896 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.871 5.015 6.003 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.029 5.660 5.134 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.268 7.306 5.245 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.913 5.562 3.752 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.152 7.208 3.875 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.970 6.342 3.139 1.00 0.00 C ATOM 0 H TRP A 43 -5.755 6.101 10.037 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.995 5.422 9.342 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.724 7.874 8.747 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.113 7.609 8.112 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.116 5.111 8.168 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.577 4.326 5.745 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.633 7.977 5.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.544 4.895 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.417 7.810 3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.855 6.288 2.067 1.00 0.00 H new ATOM 662 N THR A 44 -1.831 6.711 11.071 1.00 0.00 N ATOM 663 CA THR A 44 -1.083 7.466 12.068 1.00 0.00 C ATOM 664 C THR A 44 0.027 8.259 11.381 1.00 0.00 C ATOM 665 O THR A 44 0.701 7.744 10.488 1.00 0.00 O ATOM 666 CB THR A 44 -0.494 6.527 13.122 1.00 0.00 C ATOM 667 OG1 THR A 44 0.341 5.557 12.517 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.545 5.792 13.925 1.00 0.00 C ATOM 0 H THR A 44 -1.331 5.908 10.690 1.00 0.00 H new ATOM 0 HA THR A 44 -1.759 8.158 12.570 1.00 0.00 H new ATOM 0 HB THR A 44 0.071 7.169 13.798 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.063 5.256 11.676 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.059 5.144 14.654 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.176 6.513 14.445 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.159 5.189 13.256 1.00 0.00 H new ATOM 676 N TYR A 45 0.208 9.513 11.783 1.00 0.00 N ATOM 677 CA TYR A 45 1.230 10.364 11.181 1.00 0.00 C ATOM 678 C TYR A 45 2.383 10.620 12.148 1.00 0.00 C ATOM 679 O TYR A 45 2.174 10.794 13.348 1.00 0.00 O ATOM 680 CB TYR A 45 0.610 11.693 10.740 1.00 0.00 C ATOM 681 CG TYR A 45 1.554 12.585 9.959 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.502 12.049 9.096 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.491 13.968 10.086 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.360 12.863 8.382 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.344 14.788 9.373 1.00 0.00 C ATOM 686 CZ TYR A 45 3.277 14.232 8.523 1.00 0.00 C ATOM 687 OH TYR A 45 4.127 15.048 7.813 1.00 0.00 O ATOM 0 H TYR A 45 -0.337 9.961 12.520 1.00 0.00 H new ATOM 0 HA TYR A 45 1.631 9.844 10.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.268 11.487 10.128 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.265 12.231 11.623 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.569 10.977 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.764 14.408 10.752 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.092 12.429 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.280 15.861 9.481 1.00 0.00 H new ATOM 0 HH TYR A 45 3.935 15.985 8.027 1.00 0.00 H new ATOM 697 N ASP A 46 3.599 10.644 11.610 1.00 0.00 N ATOM 698 CA ASP A 46 4.792 10.878 12.418 1.00 0.00 C ATOM 699 C ASP A 46 5.578 12.079 11.895 1.00 0.00 C ATOM 700 O ASP A 46 6.536 11.924 11.139 1.00 0.00 O ATOM 701 CB ASP A 46 5.682 9.634 12.424 1.00 0.00 C ATOM 702 CG ASP A 46 6.927 9.812 13.275 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.096 10.902 13.860 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.731 8.860 13.357 1.00 0.00 O ATOM 0 H ASP A 46 3.784 10.504 10.617 1.00 0.00 H new ATOM 0 HA ASP A 46 4.473 11.092 13.438 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.110 8.784 12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.976 9.397 11.402 1.00 0.00 H new ATOM 709 N ASP A 47 5.166 13.276 12.306 1.00 0.00 N ATOM 710 CA ASP A 47 5.828 14.509 11.881 1.00 0.00 C ATOM 711 C ASP A 47 7.346 14.398 12.004 1.00 0.00 C ATOM 712 O ASP A 47 8.086 14.928 11.176 1.00 0.00 O ATOM 713 CB ASP A 47 5.332 15.690 12.716 1.00 0.00 C ATOM 714 CG ASP A 47 3.841 15.919 12.570 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.393 16.208 11.441 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.120 15.808 13.585 1.00 0.00 O ATOM 0 H ASP A 47 4.375 13.419 12.934 1.00 0.00 H new ATOM 0 HA ASP A 47 5.580 14.673 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.568 15.513 13.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.866 16.592 12.417 1.00 0.00 H new ATOM 721 N ALA A 48 7.801 13.717 13.051 1.00 0.00 N ATOM 722 CA ALA A 48 9.230 13.548 13.297 1.00 0.00 C ATOM 723 C ALA A 48 9.971 13.055 12.055 1.00 0.00 C ATOM 724 O ALA A 48 11.115 13.439 11.814 1.00 0.00 O ATOM 725 CB ALA A 48 9.453 12.590 14.457 1.00 0.00 C ATOM 0 H ALA A 48 7.200 13.272 13.744 1.00 0.00 H new ATOM 0 HA ALA A 48 9.636 14.527 13.553 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.523 12.472 14.631 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.981 12.990 15.355 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.015 11.621 14.218 1.00 0.00 H new ATOM 731 N THR A 49 9.318 12.204 11.272 1.00 0.00 N ATOM 732 CA THR A 49 9.930 11.663 10.060 1.00 0.00 C ATOM 733 C THR A 49 9.029 11.852 8.840 1.00 0.00 C ATOM 734 O THR A 49 9.269 11.261 7.788 1.00 0.00 O ATOM 735 CB THR A 49 10.244 10.178 10.248 1.00 0.00 C ATOM 736 OG1 THR A 49 9.063 9.445 10.518 1.00 0.00 O ATOM 737 CG2 THR A 49 11.218 9.911 11.375 1.00 0.00 C ATOM 0 H THR A 49 8.370 11.874 11.452 1.00 0.00 H new ATOM 0 HA THR A 49 10.855 12.212 9.883 1.00 0.00 H new ATOM 0 HB THR A 49 10.700 9.859 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.909 9.417 11.485 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.397 8.839 11.454 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.159 10.422 11.172 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.800 10.279 12.312 1.00 0.00 H new ATOM 745 N LYS A 50 7.992 12.676 8.983 1.00 0.00 N ATOM 746 CA LYS A 50 7.064 12.932 7.884 1.00 0.00 C ATOM 747 C LYS A 50 6.619 11.627 7.234 1.00 0.00 C ATOM 748 O LYS A 50 6.494 11.533 6.010 1.00 0.00 O ATOM 749 CB LYS A 50 7.713 13.841 6.844 1.00 0.00 C ATOM 750 CG LYS A 50 8.111 15.194 7.402 1.00 0.00 C ATOM 751 CD LYS A 50 7.746 16.318 6.452 1.00 0.00 C ATOM 752 CE LYS A 50 8.581 16.288 5.178 1.00 0.00 C ATOM 753 NZ LYS A 50 8.311 15.076 4.354 1.00 0.00 N ATOM 0 H LYS A 50 7.774 13.175 9.845 1.00 0.00 H new ATOM 0 HA LYS A 50 6.184 13.431 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.597 13.347 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.021 13.986 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.617 15.352 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.185 15.209 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.690 16.245 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.886 17.275 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.372 17.180 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.639 16.319 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.650 15.233 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.806 14.259 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.288 14.889 4.337 1.00 0.00 H new ATOM 767 N THR A 51 6.396 10.614 8.064 1.00 0.00 N ATOM 768 CA THR A 51 5.982 9.305 7.581 1.00 0.00 C ATOM 769 C THR A 51 4.560 8.980 8.032 1.00 0.00 C ATOM 770 O THR A 51 4.127 9.403 9.104 1.00 0.00 O ATOM 771 CB THR A 51 6.953 8.237 8.090 1.00 0.00 C ATOM 772 OG1 THR A 51 8.264 8.486 7.616 1.00 0.00 O ATOM 773 CG2 THR A 51 6.577 6.833 7.676 1.00 0.00 C ATOM 0 H THR A 51 6.496 10.676 9.077 1.00 0.00 H new ATOM 0 HA THR A 51 5.996 9.318 6.491 1.00 0.00 H new ATOM 0 HB THR A 51 6.904 8.301 9.177 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.518 9.409 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.309 6.129 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.590 6.590 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.561 6.766 6.588 1.00 0.00 H new ATOM 781 N PHE A 52 3.834 8.227 7.205 1.00 0.00 N ATOM 782 CA PHE A 52 2.460 7.856 7.530 1.00 0.00 C ATOM 783 C PHE A 52 2.299 6.345 7.684 1.00 0.00 C ATOM 784 O PHE A 52 2.108 5.616 6.711 1.00 0.00 O ATOM 785 CB PHE A 52 1.500 8.362 6.462 1.00 0.00 C ATOM 786 CG PHE A 52 1.547 9.851 6.265 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.640 10.448 5.660 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.497 10.652 6.687 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.687 11.817 5.478 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.538 12.021 6.507 1.00 0.00 C ATOM 791 CZ PHE A 52 1.635 12.605 5.903 1.00 0.00 C ATOM 0 H PHE A 52 4.172 7.866 6.313 1.00 0.00 H new ATOM 0 HA PHE A 52 2.222 8.324 8.485 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.731 7.872 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.485 8.072 6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.465 9.837 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.362 10.201 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.545 12.270 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.287 12.634 6.838 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.670 13.675 5.763 1.00 0.00 H new ATOM 801 N THR A 53 2.364 5.901 8.928 1.00 0.00 N ATOM 802 CA THR A 53 2.214 4.485 9.252 1.00 0.00 C ATOM 803 C THR A 53 0.751 4.061 9.207 1.00 0.00 C ATOM 804 O THR A 53 -0.089 4.600 9.928 1.00 0.00 O ATOM 805 CB THR A 53 2.821 4.158 10.616 1.00 0.00 C ATOM 806 OG1 THR A 53 2.557 5.191 11.547 1.00 0.00 O ATOM 807 CG2 THR A 53 4.314 3.922 10.569 1.00 0.00 C ATOM 0 H THR A 53 2.520 6.502 9.737 1.00 0.00 H new ATOM 0 HA THR A 53 2.758 3.921 8.494 1.00 0.00 H new ATOM 0 HB THR A 53 2.345 3.229 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.728 4.992 12.031 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.678 3.695 11.571 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.529 3.084 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.812 4.817 10.196 1.00 0.00 H new ATOM 815 N VAL A 54 0.463 3.082 8.356 1.00 0.00 N ATOM 816 CA VAL A 54 -0.889 2.562 8.208 1.00 0.00 C ATOM 817 C VAL A 54 -0.983 1.154 8.788 1.00 0.00 C ATOM 818 O VAL A 54 -0.435 0.203 8.229 1.00 0.00 O ATOM 819 CB VAL A 54 -1.331 2.546 6.727 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.744 1.996 6.593 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.242 3.944 6.134 1.00 0.00 C ATOM 0 H VAL A 54 1.153 2.631 7.755 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.558 3.225 8.756 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.658 1.891 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.035 1.994 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.776 0.978 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.433 2.622 7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.556 3.917 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.892 4.618 6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.214 4.300 6.194 1.00 0.00 H new ATOM 831 N THR A 55 -1.675 1.030 9.917 1.00 0.00 N ATOM 832 CA THR A 55 -1.832 -0.261 10.577 1.00 0.00 C ATOM 833 C THR A 55 -3.201 -0.860 10.281 1.00 0.00 C ATOM 834 O THR A 55 -4.228 -0.267 10.610 1.00 0.00 O ATOM 835 CB THR A 55 -1.638 -0.117 12.086 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.404 0.515 12.375 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.653 -1.444 12.814 1.00 0.00 C ATOM 0 H THR A 55 -2.135 1.806 10.393 1.00 0.00 H new ATOM 0 HA THR A 55 -1.069 -0.934 10.186 1.00 0.00 H new ATOM 0 HB THR A 55 -2.479 0.484 12.432 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.299 0.600 13.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.511 -1.275 13.881 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.610 -1.938 12.649 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.849 -2.075 12.436 1.00 0.00 H new ATOM 845 N GLU A 56 -3.215 -2.031 9.641 1.00 0.00 N ATOM 846 CA GLU A 56 -4.472 -2.689 9.287 1.00 0.00 C ATOM 847 C GLU A 56 -5.440 -2.706 10.468 1.00 0.00 C ATOM 848 O GLU A 56 -6.664 -2.782 10.228 1.00 0.00 O ATOM 849 CB GLU A 56 -4.210 -4.114 8.789 1.00 0.00 C ATOM 850 CG GLU A 56 -3.601 -5.038 9.834 1.00 0.00 C ATOM 851 CD GLU A 56 -4.557 -5.368 10.963 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.629 -5.947 10.685 1.00 0.00 O ATOM 853 OE2 GLU A 56 -4.236 -5.048 12.127 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.965 -2.647 11.621 1.00 0.00 O ATOM 0 H GLU A 56 -2.377 -2.539 9.360 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.934 -2.117 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.150 -4.545 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.544 -4.069 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.284 -5.963 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.707 -4.571 10.247 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 5.865 18.347 -2.531 1.00 0.00 N ATOM 863 CA MET B 1 6.717 17.771 -1.458 1.00 0.00 C ATOM 864 C MET B 1 6.658 16.246 -1.478 1.00 0.00 C ATOM 865 O MET B 1 5.668 15.658 -1.913 1.00 0.00 O ATOM 866 CB MET B 1 6.226 18.302 -0.110 1.00 0.00 C ATOM 867 CG MET B 1 7.106 17.900 1.062 1.00 0.00 C ATOM 868 SD MET B 1 8.791 18.524 0.909 1.00 0.00 S ATOM 869 CE MET B 1 9.509 17.949 2.446 1.00 0.00 C ATOM 0 H1 MET B 1 6.109 19.349 -2.668 1.00 0.00 H new ATOM 0 H2 MET B 1 6.025 17.827 -3.418 1.00 0.00 H new ATOM 0 H3 MET B 1 4.864 18.268 -2.259 1.00 0.00 H new ATOM 0 HA MET B 1 7.754 18.065 -1.620 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.172 19.390 -0.156 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.213 17.939 0.066 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.666 18.274 1.987 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.130 16.813 1.137 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.583 18.133 2.437 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.057 18.484 3.281 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.324 16.880 2.556 1.00 0.00 H new ATOM 881 N GLN B 2 7.727 15.611 -1.010 1.00 0.00 N ATOM 882 CA GLN B 2 7.799 14.154 -0.981 1.00 0.00 C ATOM 883 C GLN B 2 7.588 13.623 0.434 1.00 0.00 C ATOM 884 O GLN B 2 8.242 14.071 1.377 1.00 0.00 O ATOM 885 CB GLN B 2 9.156 13.684 -1.512 1.00 0.00 C ATOM 886 CG GLN B 2 9.268 12.173 -1.668 1.00 0.00 C ATOM 887 CD GLN B 2 8.379 11.596 -2.763 1.00 0.00 C ATOM 888 OE1 GLN B 2 7.697 12.455 -3.520 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 8.317 10.380 -2.937 1.00 0.00 N flip ATOM 0 H GLN B 2 8.555 16.082 -0.646 1.00 0.00 H new ATOM 0 HA GLN B 2 7.005 13.764 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.339 14.154 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.939 14.029 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN B 2 10.305 11.916 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN B 2 9.012 11.700 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.853 9.751 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.730 10.000 -3.680 1.00 0.00 H new ATOM 898 N TYR B 3 6.677 12.664 0.577 1.00 0.00 N ATOM 899 CA TYR B 3 6.389 12.069 1.877 1.00 0.00 C ATOM 900 C TYR B 3 6.575 10.557 1.829 1.00 0.00 C ATOM 901 O TYR B 3 6.353 9.930 0.793 1.00 0.00 O ATOM 902 CB TYR B 3 4.964 12.407 2.318 1.00 0.00 C ATOM 903 CG TYR B 3 4.738 13.882 2.558 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.372 14.728 1.519 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.891 14.429 3.827 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.167 16.077 1.736 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.686 15.777 4.052 1.00 0.00 C ATOM 908 CZ TYR B 3 4.324 16.597 3.004 1.00 0.00 C ATOM 909 OH TYR B 3 4.120 17.939 3.223 1.00 0.00 O ATOM 0 H TYR B 3 6.126 12.283 -0.192 1.00 0.00 H new ATOM 0 HA TYR B 3 7.089 12.484 2.602 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.265 12.060 1.557 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.736 11.860 3.233 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.246 14.325 0.525 1.00 0.00 H new ATOM 0 HD2 TYR B 3 5.175 13.790 4.650 1.00 0.00 H new ATOM 0 HE1 TYR B 3 3.885 16.722 0.917 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.809 16.186 5.044 1.00 0.00 H new ATOM 0 HH TYR B 3 4.270 18.142 4.170 1.00 0.00 H new ATOM 919 N LYS B 4 6.985 9.977 2.953 1.00 0.00 N ATOM 920 CA LYS B 4 7.202 8.537 3.024 1.00 0.00 C ATOM 921 C LYS B 4 6.092 7.859 3.815 1.00 0.00 C ATOM 922 O LYS B 4 6.055 7.934 5.041 1.00 0.00 O ATOM 923 CB LYS B 4 8.559 8.235 3.660 1.00 0.00 C ATOM 924 CG LYS B 4 8.893 6.754 3.706 1.00 0.00 C ATOM 925 CD LYS B 4 10.259 6.508 4.325 1.00 0.00 C ATOM 926 CE LYS B 4 10.612 5.029 4.330 1.00 0.00 C ATOM 927 NZ LYS B 4 9.616 4.220 5.085 1.00 0.00 N ATOM 0 H LYS B 4 7.172 10.478 3.821 1.00 0.00 H new ATOM 0 HA LYS B 4 7.191 8.142 2.008 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.336 8.757 3.102 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.572 8.634 4.674 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.132 6.226 4.281 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.871 6.344 2.696 1.00 0.00 H new ATOM 0 HD2 LYS B 4 11.016 7.062 3.770 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.271 6.889 5.346 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.670 4.667 3.304 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.599 4.893 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.112 3.535 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.036 4.848 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.003 3.711 4.416 1.00 0.00 H new ATOM 941 N VAL B 5 5.191 7.191 3.109 1.00 0.00 N ATOM 942 CA VAL B 5 4.084 6.500 3.750 1.00 0.00 C ATOM 943 C VAL B 5 4.429 5.035 3.982 1.00 0.00 C ATOM 944 O VAL B 5 4.863 4.336 3.071 1.00 0.00 O ATOM 945 CB VAL B 5 2.796 6.604 2.908 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.656 5.837 3.563 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.412 8.061 2.697 1.00 0.00 C ATOM 0 H VAL B 5 5.206 7.113 2.092 1.00 0.00 H new ATOM 0 HA VAL B 5 3.908 6.983 4.711 1.00 0.00 H new ATOM 0 HB VAL B 5 2.989 6.155 1.934 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.759 5.925 2.950 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.930 4.786 3.655 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.461 6.249 4.553 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.501 8.115 2.101 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.242 8.536 3.663 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.218 8.578 2.176 1.00 0.00 H new ATOM 957 N ILE B 6 4.228 4.578 5.210 1.00 0.00 N ATOM 958 CA ILE B 6 4.515 3.196 5.563 1.00 0.00 C ATOM 959 C ILE B 6 3.223 2.430 5.824 1.00 0.00 C ATOM 960 O ILE B 6 2.345 2.895 6.550 1.00 0.00 O ATOM 961 CB ILE B 6 5.437 3.108 6.798 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.733 3.876 6.540 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.749 1.658 7.139 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.660 3.916 7.737 1.00 0.00 C ATOM 0 H ILE B 6 3.867 5.144 5.978 1.00 0.00 H new ATOM 0 HA ILE B 6 5.034 2.743 4.718 1.00 0.00 H new ATOM 0 HB ILE B 6 4.918 3.556 7.646 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.256 3.418 5.700 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.489 4.897 6.245 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.400 1.622 8.012 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.822 1.127 7.355 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.249 1.185 6.294 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.559 4.477 7.482 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.155 4.401 8.572 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.934 2.899 8.019 1.00 0.00 H new ATOM 976 N LEU B 7 3.115 1.256 5.214 1.00 0.00 N ATOM 977 CA LEU B 7 1.934 0.420 5.362 1.00 0.00 C ATOM 978 C LEU B 7 2.252 -0.799 6.225 1.00 0.00 C ATOM 979 O LEU B 7 2.724 -1.820 5.724 1.00 0.00 O ATOM 980 CB LEU B 7 1.440 -0.011 3.980 1.00 0.00 C ATOM 981 CG LEU B 7 1.426 1.100 2.933 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.918 0.570 1.601 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.576 2.265 3.418 1.00 0.00 C ATOM 0 H LEU B 7 3.836 0.861 4.610 1.00 0.00 H new ATOM 0 HA LEU B 7 1.148 0.990 5.858 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.072 -0.823 3.620 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.431 -0.412 4.078 1.00 0.00 H new ATOM 0 HG LEU B 7 2.445 1.458 2.785 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.915 1.375 0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.570 -0.233 1.256 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.095 0.187 1.724 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.573 3.052 2.664 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.445 1.924 3.591 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.990 2.655 4.348 1.00 0.00 H new ATOM 995 N ASN B 8 2.013 -0.679 7.530 1.00 0.00 N ATOM 996 CA ASN B 8 2.298 -1.764 8.465 1.00 0.00 C ATOM 997 C ASN B 8 1.062 -2.607 8.760 1.00 0.00 C ATOM 998 O ASN B 8 0.160 -2.177 9.474 1.00 0.00 O ATOM 999 CB ASN B 8 2.851 -1.201 9.777 1.00 0.00 C ATOM 1000 CG ASN B 8 4.097 -0.366 9.573 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.054 0.677 8.923 1.00 0.00 O ATOM 1002 ND2 ASN B 8 5.213 -0.821 10.129 1.00 0.00 N ATOM 0 H ASN B 8 1.623 0.158 7.963 1.00 0.00 H new ATOM 0 HA ASN B 8 3.041 -2.407 7.992 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.085 -0.593 10.258 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.077 -2.024 10.455 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.084 -0.300 10.026 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.200 -1.692 10.660 1.00 0.00 H new ATOM 1009 N GLY B 9 1.029 -3.818 8.219 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.097 -4.701 8.453 1.00 0.00 C ATOM 1011 C GLY B 9 0.279 -5.891 9.303 1.00 0.00 C ATOM 1012 O GLY B 9 1.409 -5.992 9.778 1.00 0.00 O ATOM 0 H GLY B 9 1.761 -4.204 7.623 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.897 -4.145 8.942 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.489 -5.049 7.497 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.666 -6.801 9.481 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.418 -7.997 10.263 1.00 0.00 C ATOM 1018 C LYS B 10 0.360 -9.005 9.428 1.00 0.00 C ATOM 1019 O LYS B 10 1.420 -9.484 9.829 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.737 -8.612 10.734 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.496 -7.744 11.723 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.877 -8.309 12.015 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.798 -9.708 12.605 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.149 -10.275 12.873 1.00 0.00 N ATOM 0 H LYS B 10 -1.608 -6.733 9.095 1.00 0.00 H new ATOM 0 HA LYS B 10 0.170 -7.728 11.140 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.371 -8.799 9.867 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.533 -9.579 11.194 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.929 -7.667 12.651 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.592 -6.734 11.324 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.401 -7.651 12.708 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.462 -8.334 11.096 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -3.260 -10.362 11.919 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.226 -9.679 13.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.052 -11.229 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.654 -9.665 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.686 -10.327 11.984 1.00 0.00 H new ATOM 1038 N THR B 11 -0.186 -9.318 8.257 1.00 0.00 N ATOM 1039 CA THR B 11 0.419 -10.261 7.337 1.00 0.00 C ATOM 1040 C THR B 11 1.101 -9.540 6.181 1.00 0.00 C ATOM 1041 O THR B 11 1.649 -10.176 5.280 1.00 0.00 O ATOM 1042 CB THR B 11 -0.660 -11.192 6.795 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.853 -10.468 6.537 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.995 -12.337 7.728 1.00 0.00 C ATOM 0 H THR B 11 -1.064 -8.920 7.923 1.00 0.00 H new ATOM 0 HA THR B 11 1.176 -10.834 7.873 1.00 0.00 H new ATOM 0 HB THR B 11 -0.249 -11.615 5.879 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.627 -11.005 6.809 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.770 -12.958 7.278 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.103 -12.938 7.901 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.354 -11.940 8.677 1.00 0.00 H new ATOM 1052 N LEU B 12 1.060 -8.212 6.201 1.00 0.00 N ATOM 1053 CA LEU B 12 1.669 -7.425 5.144 1.00 0.00 C ATOM 1054 C LEU B 12 2.440 -6.237 5.708 1.00 0.00 C ATOM 1055 O LEU B 12 1.995 -5.580 6.648 1.00 0.00 O ATOM 1056 CB LEU B 12 0.599 -6.946 4.164 1.00 0.00 C ATOM 1057 CG LEU B 12 1.122 -6.091 3.017 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.266 -6.807 2.325 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.005 -5.774 2.035 1.00 0.00 C ATOM 0 H LEU B 12 0.613 -7.663 6.935 1.00 0.00 H new ATOM 0 HA LEU B 12 2.379 -8.062 4.616 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.091 -7.816 3.748 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.148 -6.374 4.714 1.00 0.00 H new ATOM 0 HG LEU B 12 1.492 -5.147 3.416 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.637 -6.192 1.505 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.070 -6.983 3.039 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.914 -7.761 1.932 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.397 -5.162 1.223 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.397 -6.702 1.629 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.787 -5.230 2.549 1.00 0.00 H new ATOM 1071 N LYS B 13 3.600 -5.971 5.120 1.00 0.00 N ATOM 1072 CA LYS B 13 4.447 -4.863 5.548 1.00 0.00 C ATOM 1073 C LYS B 13 5.158 -4.244 4.349 1.00 0.00 C ATOM 1074 O LYS B 13 5.577 -4.955 3.439 1.00 0.00 O ATOM 1075 CB LYS B 13 5.472 -5.355 6.570 1.00 0.00 C ATOM 1076 CG LYS B 13 4.840 -5.925 7.831 1.00 0.00 C ATOM 1077 CD LYS B 13 5.879 -6.560 8.743 1.00 0.00 C ATOM 1078 CE LYS B 13 6.541 -7.757 8.080 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.514 -8.430 8.985 1.00 0.00 N ATOM 0 H LYS B 13 3.978 -6.510 4.341 1.00 0.00 H new ATOM 0 HA LYS B 13 3.820 -4.101 6.011 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.097 -6.119 6.108 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.128 -4.528 6.843 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.320 -5.132 8.368 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.091 -6.669 7.559 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.637 -5.821 9.004 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.406 -6.873 9.674 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.776 -8.471 7.775 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.053 -7.432 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.942 -9.240 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.259 -7.757 9.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.021 -8.763 9.838 1.00 0.00 H new ATOM 1093 N GLY B 14 5.300 -2.920 4.349 1.00 0.00 N ATOM 1094 CA GLY B 14 5.968 -2.259 3.240 1.00 0.00 C ATOM 1095 C GLY B 14 6.140 -0.766 3.439 1.00 0.00 C ATOM 1096 O GLY B 14 5.832 -0.230 4.505 1.00 0.00 O ATOM 0 H GLY B 14 4.969 -2.300 5.088 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.948 -2.713 3.094 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.397 -2.432 2.328 1.00 0.00 H new ATOM 1100 N GLU B 15 6.628 -0.099 2.396 1.00 0.00 N ATOM 1101 CA GLU B 15 6.842 1.342 2.426 1.00 0.00 C ATOM 1102 C GLU B 15 6.429 1.961 1.094 1.00 0.00 C ATOM 1103 O GLU B 15 6.490 1.307 0.053 1.00 0.00 O ATOM 1104 CB GLU B 15 8.310 1.671 2.724 1.00 0.00 C ATOM 1105 CG GLU B 15 8.800 1.150 4.068 1.00 0.00 C ATOM 1106 CD GLU B 15 9.021 -0.351 4.078 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.901 -0.979 3.004 1.00 0.00 O ATOM 1108 OE2 GLU B 15 9.328 -0.898 5.157 1.00 0.00 O ATOM 0 H GLU B 15 6.884 -0.540 1.513 1.00 0.00 H new ATOM 0 HA GLU B 15 6.227 1.762 3.222 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.933 1.252 1.934 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.443 2.753 2.695 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.733 1.651 4.327 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.074 1.410 4.839 1.00 0.00 H new ATOM 1115 N THR B 16 5.998 3.215 1.134 1.00 0.00 N ATOM 1116 CA THR B 16 5.560 3.911 -0.068 1.00 0.00 C ATOM 1117 C THR B 16 5.787 5.418 0.053 1.00 0.00 C ATOM 1118 O THR B 16 6.069 5.921 1.139 1.00 0.00 O ATOM 1119 CB THR B 16 4.090 3.594 -0.345 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.519 4.571 -1.178 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.240 3.494 0.906 1.00 0.00 C ATOM 0 H THR B 16 5.942 3.771 1.987 1.00 0.00 H new ATOM 0 HA THR B 16 6.156 3.561 -0.910 1.00 0.00 H new ATOM 0 HB THR B 16 4.097 2.617 -0.828 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.579 4.350 -1.345 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.210 3.267 0.629 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.627 2.701 1.546 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.271 4.442 1.443 1.00 0.00 H new ATOM 1129 N THR B 17 5.685 6.133 -1.069 1.00 0.00 N ATOM 1130 CA THR B 17 5.906 7.582 -1.070 1.00 0.00 C ATOM 1131 C THR B 17 4.977 8.328 -2.031 1.00 0.00 C ATOM 1132 O THR B 17 4.984 8.087 -3.239 1.00 0.00 O ATOM 1133 CB THR B 17 7.359 7.885 -1.433 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.674 7.365 -2.711 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.356 7.319 -0.446 1.00 0.00 C ATOM 0 H THR B 17 5.453 5.738 -1.980 1.00 0.00 H new ATOM 0 HA THR B 17 5.681 7.935 -0.063 1.00 0.00 H new ATOM 0 HB THR B 17 7.439 8.972 -1.418 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.866 7.345 -3.265 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.367 7.571 -0.765 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.171 7.742 0.541 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.249 6.235 -0.402 1.00 0.00 H new ATOM 1143 N THR B 18 4.200 9.257 -1.477 1.00 0.00 N ATOM 1144 CA THR B 18 3.274 10.079 -2.258 1.00 0.00 C ATOM 1145 C THR B 18 3.784 11.519 -2.312 1.00 0.00 C ATOM 1146 O THR B 18 4.374 12.008 -1.347 1.00 0.00 O ATOM 1147 CB THR B 18 1.876 10.046 -1.637 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.948 10.714 -2.470 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.811 10.686 -0.265 1.00 0.00 C ATOM 0 H THR B 18 4.193 9.462 -0.478 1.00 0.00 H new ATOM 0 HA THR B 18 3.215 9.677 -3.270 1.00 0.00 H new ATOM 0 HB THR B 18 1.628 8.990 -1.534 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.207 10.597 -3.408 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.791 10.628 0.116 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.483 10.160 0.414 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.112 11.731 -0.336 1.00 0.00 H new ATOM 1157 N GLU B 19 3.563 12.196 -3.432 1.00 0.00 N ATOM 1158 CA GLU B 19 4.012 13.578 -3.583 1.00 0.00 C ATOM 1159 C GLU B 19 2.833 14.541 -3.504 1.00 0.00 C ATOM 1160 O GLU B 19 1.918 14.482 -4.326 1.00 0.00 O ATOM 1161 CB GLU B 19 4.757 13.750 -4.911 1.00 0.00 C ATOM 1162 CG GLU B 19 5.406 15.117 -5.084 1.00 0.00 C ATOM 1163 CD GLU B 19 4.420 16.202 -5.475 1.00 0.00 C ATOM 1164 OE1 GLU B 19 3.257 15.871 -5.783 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.821 17.386 -5.495 1.00 0.00 O ATOM 0 H GLU B 19 3.079 11.815 -4.245 1.00 0.00 H new ATOM 0 HA GLU B 19 4.695 13.810 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.526 12.982 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.059 13.584 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.897 15.400 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.183 15.049 -5.846 1.00 0.00 H new ATOM 1172 N ALA B 20 2.849 15.424 -2.505 1.00 0.00 N ATOM 1173 CA ALA B 20 1.769 16.387 -2.329 1.00 0.00 C ATOM 1174 C ALA B 20 2.264 17.689 -1.699 1.00 0.00 C ATOM 1175 O ALA B 20 3.253 17.706 -0.966 1.00 0.00 O ATOM 1176 CB ALA B 20 0.663 15.779 -1.482 1.00 0.00 C ATOM 0 H ALA B 20 3.594 15.490 -1.811 1.00 0.00 H new ATOM 0 HA ALA B 20 1.377 16.630 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.140 16.506 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.273 14.890 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.062 15.505 -0.505 1.00 0.00 H new ATOM 1182 N VAL B 21 1.571 18.778 -2.015 1.00 0.00 N ATOM 1183 CA VAL B 21 1.926 20.106 -1.511 1.00 0.00 C ATOM 1184 C VAL B 21 2.105 20.109 0.009 1.00 0.00 C ATOM 1185 O VAL B 21 2.847 20.927 0.551 1.00 0.00 O ATOM 1186 CB VAL B 21 0.849 21.142 -1.882 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.305 22.545 -1.515 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.506 21.048 -3.361 1.00 0.00 C ATOM 0 H VAL B 21 0.752 18.769 -2.623 1.00 0.00 H new ATOM 0 HA VAL B 21 2.873 20.373 -1.979 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.053 20.923 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.530 23.262 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.490 22.598 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.222 22.782 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.257 21.787 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.400 21.239 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.129 20.050 -3.584 1.00 0.00 H new ATOM 1198 N ASP B 22 1.432 19.186 0.686 1.00 0.00 N ATOM 1199 CA ASP B 22 1.534 19.085 2.140 1.00 0.00 C ATOM 1200 C ASP B 22 1.216 17.676 2.626 1.00 0.00 C ATOM 1201 O ASP B 22 0.817 16.814 1.845 1.00 0.00 O ATOM 1202 CB ASP B 22 0.612 20.102 2.818 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.798 20.064 2.269 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.977 20.389 1.077 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.724 19.711 3.030 1.00 0.00 O ATOM 0 H ASP B 22 0.812 18.499 0.256 1.00 0.00 H new ATOM 0 HA ASP B 22 2.565 19.309 2.413 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.586 19.906 3.890 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.022 21.103 2.687 1.00 0.00 H new ATOM 1210 N ALA B 23 1.399 17.448 3.924 1.00 0.00 N ATOM 1211 CA ALA B 23 1.137 16.142 4.512 1.00 0.00 C ATOM 1212 C ALA B 23 -0.312 15.731 4.311 1.00 0.00 C ATOM 1213 O ALA B 23 -0.600 14.582 3.978 1.00 0.00 O ATOM 1214 CB ALA B 23 1.488 16.148 5.993 1.00 0.00 C ATOM 0 H ALA B 23 1.727 18.151 4.586 1.00 0.00 H new ATOM 0 HA ALA B 23 1.767 15.411 4.005 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.287 15.165 6.419 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.544 16.387 6.116 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.885 16.896 6.507 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.222 16.675 4.502 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.641 16.398 4.325 1.00 0.00 C ATOM 1222 C ALA B 24 -2.916 16.002 2.885 1.00 0.00 C ATOM 1223 O ALA B 24 -3.438 14.921 2.621 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.478 17.603 4.725 1.00 0.00 C ATOM 0 H ALA B 24 -1.006 17.633 4.778 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.920 15.568 4.974 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.535 17.375 4.585 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.294 17.842 5.772 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.206 18.457 4.105 1.00 0.00 H new ATOM 1230 N THR B 25 -2.530 16.867 1.949 1.00 0.00 N ATOM 1231 CA THR B 25 -2.709 16.575 0.539 1.00 0.00 C ATOM 1232 C THR B 25 -2.131 15.200 0.238 1.00 0.00 C ATOM 1233 O THR B 25 -2.759 14.383 -0.434 1.00 0.00 O ATOM 1234 CB THR B 25 -2.039 17.644 -0.323 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.694 17.853 0.075 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.751 18.978 -0.283 1.00 0.00 C ATOM 0 H THR B 25 -2.095 17.768 2.145 1.00 0.00 H new ATOM 0 HA THR B 25 -3.773 16.578 0.302 1.00 0.00 H new ATOM 0 HB THR B 25 -2.085 17.259 -1.342 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.505 17.327 0.880 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.223 19.691 -0.916 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.772 18.857 -0.646 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.772 19.349 0.742 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.943 14.941 0.781 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.301 13.650 0.604 1.00 0.00 C ATOM 1246 C ALA B 26 -1.187 12.563 1.194 1.00 0.00 C ATOM 1247 O ALA B 26 -1.520 11.586 0.523 1.00 0.00 O ATOM 1248 CB ALA B 26 1.073 13.640 1.259 1.00 0.00 C ATOM 0 H ALA B 26 -0.412 15.606 1.343 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.163 13.460 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.537 12.664 1.115 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.698 14.410 0.806 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.969 13.839 2.326 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.584 12.750 2.453 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.451 11.799 3.134 1.00 0.00 C ATOM 1256 C GLU B 27 -3.701 11.525 2.305 1.00 0.00 C ATOM 1257 O GLU B 27 -4.087 10.373 2.104 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.847 12.338 4.510 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.744 11.398 5.297 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.130 11.955 6.656 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.694 13.080 6.982 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.866 11.267 7.392 1.00 0.00 O ATOM 0 H GLU B 27 -1.316 13.555 3.020 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.904 10.865 3.261 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.944 12.533 5.088 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.357 13.293 4.384 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.648 11.198 4.721 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.234 10.444 5.432 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.323 12.595 1.816 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.522 12.471 0.997 1.00 0.00 C ATOM 1271 C LYS B 28 -5.203 11.714 -0.283 1.00 0.00 C ATOM 1272 O LYS B 28 -5.944 10.820 -0.691 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.090 13.852 0.665 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.505 14.643 1.893 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.500 13.869 2.736 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.922 14.656 3.965 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.565 15.949 3.602 1.00 0.00 N ATOM 0 H LYS B 28 -4.016 13.555 1.973 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.272 11.915 1.560 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.343 14.420 0.111 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.952 13.734 0.009 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.625 14.879 2.491 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.946 15.591 1.586 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.378 13.631 2.136 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.058 12.922 3.044 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.615 14.059 4.558 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.050 14.847 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.047 16.343 4.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.839 16.617 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.259 15.791 2.844 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.082 12.068 -0.904 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.654 11.413 -2.127 1.00 0.00 C ATOM 1293 C VAL B 29 -3.431 9.929 -1.877 1.00 0.00 C ATOM 1294 O VAL B 29 -3.787 9.089 -2.702 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.362 12.046 -2.685 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.885 11.303 -3.922 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.580 13.520 -2.995 1.00 0.00 C ATOM 0 H VAL B 29 -3.457 12.805 -0.578 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.444 11.544 -2.867 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.587 11.965 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.973 11.768 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.683 10.263 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.656 11.345 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.658 13.949 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.372 13.623 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.866 14.045 -2.084 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.872 9.612 -0.718 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.641 8.225 -0.352 1.00 0.00 C ATOM 1309 C VAL B 30 -3.986 7.539 -0.147 1.00 0.00 C ATOM 1310 O VAL B 30 -4.240 6.476 -0.706 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.795 8.111 0.926 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.503 6.651 1.244 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.502 8.900 0.783 1.00 0.00 C ATOM 0 H VAL B 30 -2.572 10.293 -0.020 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.088 7.740 -1.156 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.363 8.534 1.755 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.903 6.589 2.152 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.441 6.116 1.392 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.955 6.201 0.416 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.084 8.807 1.698 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.072 8.509 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.734 9.950 0.606 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.863 8.168 0.639 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.197 7.621 0.882 1.00 0.00 C ATOM 1325 C LYS B 31 -6.831 7.200 -0.435 1.00 0.00 C ATOM 1326 O LYS B 31 -7.390 6.112 -0.557 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.094 8.654 1.564 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.764 8.897 3.022 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.667 9.966 3.616 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.399 10.163 5.099 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.257 11.229 5.684 1.00 0.00 N ATOM 0 H LYS B 31 -4.674 9.050 1.114 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.095 6.756 1.537 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.018 9.598 1.024 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.131 8.325 1.488 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.876 7.969 3.583 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.722 9.203 3.116 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.512 10.908 3.089 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.710 9.686 3.468 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.575 9.226 5.627 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.350 10.420 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.168 11.217 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.955 12.156 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.249 11.060 5.420 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.726 8.084 -1.420 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.277 7.816 -2.738 1.00 0.00 C ATOM 1347 C GLN B 32 -6.603 6.583 -3.329 1.00 0.00 C ATOM 1348 O GLN B 32 -7.231 5.783 -4.020 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.085 9.027 -3.650 1.00 0.00 C ATOM 1350 CG GLN B 32 -8.022 9.043 -4.846 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.479 9.003 -4.429 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.991 7.965 -4.010 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -10.150 10.145 -4.517 1.00 0.00 N ATOM 0 H GLN B 32 -6.265 8.989 -1.329 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.347 7.626 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.236 9.937 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.055 9.044 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.839 9.940 -5.437 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.805 8.189 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.687 10.983 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.128 10.185 -4.231 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.315 6.437 -3.028 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.529 5.302 -3.498 1.00 0.00 C ATOM 1364 C PHE B 33 -5.195 3.991 -3.079 1.00 0.00 C ATOM 1365 O PHE B 33 -5.600 3.189 -3.919 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.111 5.390 -2.916 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.150 4.408 -3.506 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.779 4.506 -4.835 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.621 3.378 -2.737 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.903 3.596 -5.390 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.740 2.470 -3.290 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.385 2.580 -4.619 1.00 0.00 C ATOM 0 H PHE B 33 -4.791 7.098 -2.455 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.472 5.326 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.727 6.398 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.161 5.232 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.179 5.303 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.901 3.287 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.624 3.681 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.330 1.676 -2.684 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.300 1.868 -5.055 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.312 3.798 -1.770 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.936 2.599 -1.216 1.00 0.00 C ATOM 1384 C PHE B 34 -7.427 2.593 -1.500 1.00 0.00 C ATOM 1385 O PHE B 34 -7.997 1.563 -1.859 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.658 2.518 0.277 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.192 2.540 0.558 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.355 1.621 -0.049 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.645 3.495 1.391 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.996 1.653 0.172 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.284 3.530 1.623 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.460 2.607 1.010 1.00 0.00 C ATOM 0 H PHE B 34 -4.981 4.460 -1.068 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.507 1.719 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.140 3.353 0.785 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.094 1.605 0.681 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.772 0.870 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.287 4.222 1.866 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.352 0.932 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.866 4.277 2.282 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.395 2.633 1.187 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.049 3.753 -1.370 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.472 3.891 -1.645 1.00 0.00 C ATOM 1404 C ASN B 35 -9.792 3.287 -3.008 1.00 0.00 C ATOM 1405 O ASN B 35 -10.840 2.675 -3.214 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.841 5.372 -1.645 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.308 5.610 -1.912 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.859 5.139 -2.906 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.940 6.358 -1.027 1.00 0.00 N ATOM 0 H ASN B 35 -7.591 4.615 -1.075 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.044 3.369 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.577 5.808 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.250 5.889 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.930 6.569 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.438 6.725 -0.219 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.859 3.482 -3.935 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.994 2.980 -5.300 1.00 0.00 C ATOM 1418 C ASP B 36 -8.320 1.619 -5.493 1.00 0.00 C ATOM 1419 O ASP B 36 -8.698 0.865 -6.389 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.420 3.991 -6.294 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.119 5.336 -6.223 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.044 5.482 -5.397 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.739 6.243 -6.993 1.00 0.00 O ATOM 0 H ASP B 36 -7.991 3.990 -3.763 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.059 2.844 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.357 4.127 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.508 3.592 -7.305 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.336 1.293 -4.655 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.653 0.002 -4.767 1.00 0.00 C ATOM 1430 C ASN B 37 -7.475 -1.085 -4.090 1.00 0.00 C ATOM 1431 O ASN B 37 -7.677 -2.166 -4.644 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.258 0.045 -4.128 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.302 0.977 -4.842 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.514 1.723 -4.073 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.244 1.003 -6.072 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.997 1.893 -3.903 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.542 -0.219 -5.829 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.352 0.358 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.838 -0.961 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.867 0.414 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.573 1.613 -6.538 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.938 -0.763 -2.884 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.742 -1.660 -2.070 1.00 0.00 C ATOM 1444 C GLY B 38 -9.187 -2.949 -2.741 1.00 0.00 C ATOM 1445 O GLY B 38 -8.378 -3.837 -3.010 1.00 0.00 O ATOM 0 H GLY B 38 -7.761 0.140 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.173 -1.916 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.630 -1.121 -1.739 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.495 -3.074 -2.928 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.084 -4.289 -3.479 1.00 0.00 C ATOM 1451 C VAL B 39 -11.061 -4.397 -5.005 1.00 0.00 C ATOM 1452 O VAL B 39 -10.593 -5.401 -5.539 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.535 -4.450 -2.978 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.210 -5.651 -3.628 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.557 -4.580 -1.463 1.00 0.00 C ATOM 0 H VAL B 39 -11.172 -2.344 -2.705 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.446 -5.095 -3.118 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.094 -3.558 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.231 -5.740 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.228 -5.517 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.655 -6.557 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.586 -4.693 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.978 -5.454 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.123 -3.686 -1.015 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.603 -3.414 -5.710 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.668 -3.488 -7.172 1.00 0.00 C ATOM 1467 C ASP B 40 -10.454 -2.881 -7.871 1.00 0.00 C ATOM 1468 O ASP B 40 -10.558 -2.439 -9.017 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.940 -2.800 -7.671 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.200 -3.450 -7.130 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.410 -4.651 -7.399 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.976 -2.757 -6.439 1.00 0.00 O ATOM 0 H ASP B 40 -12.000 -2.566 -5.306 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.678 -4.548 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.921 -1.750 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.960 -2.826 -8.761 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.308 -2.868 -7.208 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.116 -2.320 -7.831 1.00 0.00 C ATOM 1479 C GLY B 41 -7.589 -3.220 -8.935 1.00 0.00 C ATOM 1480 O GLY B 41 -7.951 -4.394 -9.004 1.00 0.00 O ATOM 0 H GLY B 41 -9.179 -3.222 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.341 -1.336 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.343 -2.181 -7.076 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.735 -2.678 -9.802 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.163 -3.457 -10.900 1.00 0.00 C ATOM 1486 C GLU B 42 -4.843 -4.092 -10.470 1.00 0.00 C ATOM 1487 O GLU B 42 -3.797 -3.443 -10.490 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.937 -2.568 -12.124 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.208 -1.924 -12.655 1.00 0.00 C ATOM 1490 CD GLU B 42 -6.955 -1.050 -13.867 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.180 -0.076 -13.747 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.530 -1.337 -14.937 1.00 0.00 O ATOM 0 H GLU B 42 -6.425 -1.707 -9.766 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.866 -4.247 -11.163 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.224 -1.785 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.484 -3.164 -12.916 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.924 -2.703 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.663 -1.324 -11.867 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.902 -5.353 -10.051 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.715 -6.062 -9.582 1.00 0.00 C ATOM 1501 C TRP B 43 -3.078 -6.932 -10.659 1.00 0.00 C ATOM 1502 O TRP B 43 -3.686 -7.890 -11.139 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.076 -6.951 -8.395 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.657 -6.209 -7.234 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.633 -5.261 -7.268 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.294 -6.367 -5.866 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.905 -4.819 -5.996 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.093 -5.485 -5.116 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.370 -7.173 -5.202 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.993 -5.388 -3.734 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.270 -7.077 -3.832 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.078 -6.191 -3.107 1.00 0.00 C ATOM 0 H TRP B 43 -5.759 -5.905 -10.027 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.992 -5.298 -9.296 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.789 -7.707 -8.724 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.182 -7.479 -8.065 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.122 -4.908 -8.164 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.597 -4.112 -5.748 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.744 -7.860 -5.752 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.614 -4.704 -3.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.557 -7.695 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.977 -6.140 -2.033 1.00 0.00 H new ATOM 1523 N THR B 44 -1.837 -6.614 -11.007 1.00 0.00 N ATOM 1524 CA THR B 44 -1.093 -7.387 -11.995 1.00 0.00 C ATOM 1525 C THR B 44 -0.013 -8.205 -11.291 1.00 0.00 C ATOM 1526 O THR B 44 0.660 -7.708 -10.387 1.00 0.00 O ATOM 1527 CB THR B 44 -0.467 -6.463 -13.039 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.383 -5.513 -12.423 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.489 -5.702 -13.856 1.00 0.00 C ATOM 0 H THR B 44 -1.323 -5.823 -10.618 1.00 0.00 H new ATOM 0 HA THR B 44 -1.777 -8.062 -12.509 1.00 0.00 H new ATOM 0 HB THR B 44 0.092 -7.119 -13.706 1.00 0.00 H new ATOM 0 HG1 THR B 44 -0.025 -5.202 -11.588 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.977 -5.065 -14.578 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.130 -6.407 -14.385 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.097 -5.085 -13.195 1.00 0.00 H new ATOM 1537 N TYR B 45 0.144 -9.464 -11.693 1.00 0.00 N ATOM 1538 CA TYR B 45 1.135 -10.340 -11.075 1.00 0.00 C ATOM 1539 C TYR B 45 2.296 -10.624 -12.025 1.00 0.00 C ATOM 1540 O TYR B 45 2.100 -10.794 -13.227 1.00 0.00 O ATOM 1541 CB TYR B 45 0.478 -11.654 -10.642 1.00 0.00 C ATOM 1542 CG TYR B 45 1.388 -12.569 -9.850 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.337 -12.054 -8.974 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.294 -13.948 -9.977 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.163 -12.890 -8.247 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.117 -14.790 -9.253 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.049 -14.256 -8.390 1.00 0.00 C ATOM 1548 OH TYR B 45 3.870 -15.090 -7.667 1.00 0.00 O ATOM 0 H TYR B 45 -0.399 -9.898 -12.439 1.00 0.00 H new ATOM 0 HA TYR B 45 1.534 -9.830 -10.198 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.403 -11.427 -10.041 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.131 -12.184 -11.529 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.430 -10.984 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.565 -14.370 -10.653 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.895 -12.475 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.030 -15.861 -9.363 1.00 0.00 H new ATOM 0 HH TYR B 45 3.661 -16.023 -7.883 1.00 0.00 H new ATOM 1558 N ASP B 46 3.504 -10.676 -11.471 1.00 0.00 N ATOM 1559 CA ASP B 46 4.700 -10.941 -12.262 1.00 0.00 C ATOM 1560 C ASP B 46 5.451 -12.161 -11.728 1.00 0.00 C ATOM 1561 O ASP B 46 6.400 -12.029 -10.956 1.00 0.00 O ATOM 1562 CB ASP B 46 5.622 -9.720 -12.255 1.00 0.00 C ATOM 1563 CG ASP B 46 6.872 -9.927 -13.088 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.024 -11.023 -13.669 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.700 -8.994 -13.159 1.00 0.00 O ATOM 0 H ASP B 46 3.680 -10.538 -10.476 1.00 0.00 H new ATOM 0 HA ASP B 46 4.388 -11.149 -13.285 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.077 -8.856 -12.634 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.908 -9.491 -11.228 1.00 0.00 H new ATOM 1570 N ASP B 47 5.016 -13.347 -12.144 1.00 0.00 N ATOM 1571 CA ASP B 47 5.641 -14.596 -11.710 1.00 0.00 C ATOM 1572 C ASP B 47 7.162 -14.522 -11.813 1.00 0.00 C ATOM 1573 O ASP B 47 7.878 -15.071 -10.975 1.00 0.00 O ATOM 1574 CB ASP B 47 5.128 -15.764 -12.554 1.00 0.00 C ATOM 1575 CG ASP B 47 3.630 -15.957 -12.429 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.158 -16.236 -11.306 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.926 -15.828 -13.452 1.00 0.00 O ATOM 0 H ASP B 47 4.231 -13.471 -12.783 1.00 0.00 H new ATOM 0 HA ASP B 47 5.374 -14.754 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.383 -15.592 -13.600 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.636 -16.679 -12.249 1.00 0.00 H new ATOM 1582 N ALA B 48 7.650 -13.852 -12.852 1.00 0.00 N ATOM 1583 CA ALA B 48 9.087 -13.719 -13.077 1.00 0.00 C ATOM 1584 C ALA B 48 9.820 -13.243 -11.826 1.00 0.00 C ATOM 1585 O ALA B 48 10.953 -13.654 -11.568 1.00 0.00 O ATOM 1586 CB ALA B 48 9.348 -12.767 -14.237 1.00 0.00 C ATOM 0 H ALA B 48 7.071 -13.391 -13.554 1.00 0.00 H new ATOM 0 HA ALA B 48 9.475 -14.707 -13.325 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.422 -12.674 -14.397 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.879 -13.157 -15.140 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.930 -11.787 -14.005 1.00 0.00 H new ATOM 1592 N THR B 49 9.177 -12.376 -11.053 1.00 0.00 N ATOM 1593 CA THR B 49 9.785 -11.850 -9.833 1.00 0.00 C ATOM 1594 C THR B 49 8.863 -12.018 -8.625 1.00 0.00 C ATOM 1595 O THR B 49 9.103 -11.432 -7.569 1.00 0.00 O ATOM 1596 CB THR B 49 10.138 -10.374 -10.013 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.978 -9.614 -10.301 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.133 -10.131 -11.127 1.00 0.00 C ATOM 0 H THR B 49 8.240 -12.023 -11.246 1.00 0.00 H new ATOM 0 HA THR B 49 10.694 -12.422 -9.645 1.00 0.00 H new ATOM 0 HB THR B 49 10.589 -10.066 -9.070 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.840 -9.582 -11.271 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.341 -9.064 -11.203 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.058 -10.667 -10.912 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.718 -10.487 -12.070 1.00 0.00 H new ATOM 1606 N LYS B 50 7.808 -12.816 -8.782 1.00 0.00 N ATOM 1607 CA LYS B 50 6.858 -13.049 -7.697 1.00 0.00 C ATOM 1608 C LYS B 50 6.435 -11.733 -7.052 1.00 0.00 C ATOM 1609 O LYS B 50 6.296 -11.636 -5.830 1.00 0.00 O ATOM 1610 CB LYS B 50 7.470 -13.971 -6.647 1.00 0.00 C ATOM 1611 CG LYS B 50 7.844 -15.335 -7.200 1.00 0.00 C ATOM 1612 CD LYS B 50 7.437 -16.450 -6.256 1.00 0.00 C ATOM 1613 CE LYS B 50 8.254 -16.439 -4.971 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.003 -15.222 -4.150 1.00 0.00 N ATOM 0 H LYS B 50 7.590 -13.310 -9.647 1.00 0.00 H new ATOM 0 HA LYS B 50 5.973 -13.527 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.359 -13.498 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.763 -14.099 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.362 -15.481 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.920 -15.377 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.379 -16.351 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.561 -17.411 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS B 50 8.015 -17.326 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS B 50 9.314 -16.496 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.356 -15.376 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.496 -14.410 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 6.982 -15.029 -4.118 1.00 0.00 H new ATOM 1628 N THR B 51 6.250 -10.715 -7.887 1.00 0.00 N ATOM 1629 CA THR B 51 5.861 -9.396 -7.409 1.00 0.00 C ATOM 1630 C THR B 51 4.454 -9.035 -7.878 1.00 0.00 C ATOM 1631 O THR B 51 4.026 -9.449 -8.956 1.00 0.00 O ATOM 1632 CB THR B 51 6.864 -8.352 -7.903 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.163 -8.633 -7.411 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.517 -6.939 -7.496 1.00 0.00 C ATOM 0 H THR B 51 6.364 -10.780 -8.899 1.00 0.00 H new ATOM 0 HA THR B 51 5.860 -9.411 -6.319 1.00 0.00 H new ATOM 0 HB THR B 51 6.828 -8.415 -8.991 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.379 -9.575 -7.576 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.272 -6.254 -7.881 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.542 -6.672 -7.904 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.486 -6.871 -6.409 1.00 0.00 H new ATOM 1642 N PHE B 52 3.734 -8.266 -7.062 1.00 0.00 N ATOM 1643 CA PHE B 52 2.375 -7.862 -7.406 1.00 0.00 C ATOM 1644 C PHE B 52 2.253 -6.347 -7.563 1.00 0.00 C ATOM 1645 O PHE B 52 2.068 -5.615 -6.591 1.00 0.00 O ATOM 1646 CB PHE B 52 1.388 -8.345 -6.352 1.00 0.00 C ATOM 1647 CG PHE B 52 1.396 -9.833 -6.156 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.465 -10.458 -5.535 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.334 -10.609 -6.592 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.476 -11.828 -5.353 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.338 -11.980 -6.412 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.411 -12.590 -5.791 1.00 0.00 C ATOM 0 H PHE B 52 4.068 -7.913 -6.165 1.00 0.00 H new ATOM 0 HA PHE B 52 2.139 -8.324 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.618 -7.861 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.384 -8.030 -6.636 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.300 -9.867 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.507 -10.137 -7.078 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.317 -12.302 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.496 -12.573 -6.756 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.417 -13.661 -5.648 1.00 0.00 H new ATOM 1662 N THR B 53 2.346 -5.906 -8.805 1.00 0.00 N ATOM 1663 CA THR B 53 2.235 -4.487 -9.131 1.00 0.00 C ATOM 1664 C THR B 53 0.783 -4.028 -9.106 1.00 0.00 C ATOM 1665 O THR B 53 -0.060 -4.545 -9.840 1.00 0.00 O ATOM 1666 CB THR B 53 2.868 -4.176 -10.487 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.592 -5.200 -11.422 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.367 -3.974 -10.418 1.00 0.00 C ATOM 0 H THR B 53 2.499 -6.511 -9.612 1.00 0.00 H new ATOM 0 HA THR B 53 2.782 -3.936 -8.366 1.00 0.00 H new ATOM 0 HB THR B 53 2.418 -3.237 -10.808 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.750 -5.004 -11.883 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.751 -3.757 -11.415 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.592 -3.140 -9.753 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.839 -4.879 -10.036 1.00 0.00 H new ATOM 1676 N VAL B 54 0.506 -3.040 -8.259 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.835 -2.488 -8.130 1.00 0.00 C ATOM 1678 C VAL B 54 -0.886 -1.078 -8.712 1.00 0.00 C ATOM 1679 O VAL B 54 -0.323 -0.141 -8.145 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.298 -2.461 -6.656 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.699 -1.877 -6.542 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.251 -3.861 -6.061 1.00 0.00 C ATOM 0 H VAL B 54 1.199 -2.605 -7.650 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.512 -3.135 -8.687 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.617 -1.822 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.005 -1.867 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.701 -0.858 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.395 -2.486 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.580 -3.826 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.909 -4.520 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.230 -4.241 -6.106 1.00 0.00 H new ATOM 1692 N THR B 55 -1.559 -0.939 -9.850 1.00 0.00 N ATOM 1693 CA THR B 55 -1.676 0.356 -10.513 1.00 0.00 C ATOM 1694 C THR B 55 -3.033 0.989 -10.235 1.00 0.00 C ATOM 1695 O THR B 55 -4.070 0.421 -10.579 1.00 0.00 O ATOM 1696 CB THR B 55 -1.465 0.208 -12.019 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.242 -0.453 -12.291 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.437 1.535 -12.746 1.00 0.00 C ATOM 0 H THR B 55 -2.031 -1.705 -10.331 1.00 0.00 H new ATOM 0 HA THR B 55 -0.902 1.010 -10.112 1.00 0.00 H new ATOM 0 HB THR B 55 -2.316 -0.372 -12.377 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.126 -0.540 -13.260 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.284 1.363 -13.811 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.384 2.053 -12.594 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.623 2.146 -12.357 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.027 2.159 -9.595 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.274 2.847 -9.260 1.00 0.00 C ATOM 1708 C GLU B 56 -5.223 2.890 -10.454 1.00 0.00 C ATOM 1709 O GLU B 56 -6.449 2.995 -10.232 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.983 4.266 -8.757 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.338 5.174 -9.793 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.271 5.528 -10.937 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.330 6.134 -10.673 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -3.940 5.200 -12.095 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.735 2.818 -11.601 1.00 0.00 O ATOM 0 H GLU B 56 -2.181 2.646 -9.301 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.763 2.285 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.916 4.720 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.329 4.204 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.005 6.091 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.450 4.685 -10.194 1.00 0.00 H new TER 1722 GLU B 56