USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 372 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 26 THR OG1 : rot -31:sc= 1.09 USER MOD Set 1.2: B 28 LYS NZ :NH3+ -124:sc= -3.47! (180deg=-7.91!) USER MOD Set 2.1: A 15 GLN :FLIP amide:sc= -5.54! C(o=-14!,f=-6.7!) USER MOD Set 2.2: B 25 TYR OH : rot 180:sc= -1.18 USER MOD Set 3.1: A 12 SER OG : rot 76:sc= -2.7! USER MOD Set 3.2: B 1 PHE N :NH3+ 146:sc= -0.273! (180deg=-0.865) USER MOD Set 3.3: B 3 ASN : amide:sc= 1.52 K(o=-1.8,f=-20!) USER MOD Set 3.4: B 10 HIS : no HE2:sc= -0.368 K(o=-1.8,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.647 (180deg=-2.87!) USER MOD Single : A 5 GLN :FLIP amide:sc= -4.55! C(o=-12!,f=-4.5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.883 USER MOD Single : A 14 TYR OH : rot 59:sc= -2.43! USER MOD Single : A 18 ASN :FLIP amide:sc= -0.386 F(o=-2.3!,f=-0.39) USER MOD Single : A 19 TYR OH : rot 150:sc= 0.00111 USER MOD Single : A 21 ASN :FLIP amide:sc= -3.89! C(o=-5.9!,f=-3.9!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0101 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.786 -6.019 -9.782 1.00 1.74 N ATOM 2 CA GLY A 1 7.304 -4.755 -9.131 1.00 1.72 C ATOM 3 C GLY A 1 6.313 -4.138 -8.110 1.00 1.45 C ATOM 4 O GLY A 1 6.558 -4.148 -6.933 1.00 0.92 O ATOM 0 H1 GLY A 1 7.481 -6.783 -9.659 1.00 1.74 H new ATOM 0 H2 GLY A 1 5.886 -6.294 -9.339 1.00 1.74 H new ATOM 0 H3 GLY A 1 6.634 -5.850 -10.797 1.00 1.74 H new ATOM 0 HA2 GLY A 1 8.245 -4.974 -8.626 1.00 1.72 H new ATOM 0 HA3 GLY A 1 7.522 -4.019 -9.905 1.00 1.72 H new ATOM 10 N ILE A 2 5.214 -3.592 -8.564 1.00 1.88 N ATOM 11 CA ILE A 2 4.163 -2.964 -7.659 1.00 1.74 C ATOM 12 C ILE A 2 4.110 -3.409 -6.150 1.00 1.45 C ATOM 13 O ILE A 2 4.423 -2.695 -5.204 1.00 1.19 O ATOM 14 CB ILE A 2 2.813 -3.229 -8.460 1.00 2.16 C ATOM 15 CG1 ILE A 2 1.574 -2.743 -7.704 1.00 1.92 C ATOM 16 CG2 ILE A 2 2.579 -4.712 -8.878 1.00 2.56 C ATOM 17 CD1 ILE A 2 1.452 -1.238 -7.925 1.00 2.66 C ATOM 0 H ILE A 2 4.981 -3.547 -9.556 1.00 1.88 H new ATOM 0 HA ILE A 2 4.396 -1.913 -7.489 1.00 1.74 H new ATOM 0 HB ILE A 2 2.952 -2.645 -9.370 1.00 2.16 H new ATOM 0 HG12 ILE A 2 0.682 -3.255 -8.064 1.00 1.92 H new ATOM 0 HG13 ILE A 2 1.663 -2.967 -6.641 1.00 1.92 H new ATOM 0 HG21 ILE A 2 1.635 -4.793 -9.418 1.00 2.56 H new ATOM 0 HG22 ILE A 2 3.395 -5.042 -9.521 1.00 2.56 H new ATOM 0 HG23 ILE A 2 2.543 -5.340 -7.988 1.00 2.56 H new ATOM 0 HD11 ILE A 2 0.576 -0.863 -7.397 1.00 2.66 H new ATOM 0 HD12 ILE A 2 2.345 -0.741 -7.546 1.00 2.66 H new ATOM 0 HD13 ILE A 2 1.348 -1.034 -8.991 1.00 2.66 H new ATOM 29 N VAL A 3 3.707 -4.623 -5.975 1.00 1.57 N ATOM 30 CA VAL A 3 3.592 -5.227 -4.646 1.00 1.52 C ATOM 31 C VAL A 3 4.947 -5.300 -3.947 1.00 1.17 C ATOM 32 O VAL A 3 5.114 -4.726 -2.884 1.00 1.08 O ATOM 33 CB VAL A 3 2.902 -6.571 -4.950 1.00 2.02 C ATOM 34 CG1 VAL A 3 1.436 -6.341 -5.354 1.00 3.18 C ATOM 35 CG2 VAL A 3 3.563 -7.414 -6.076 1.00 3.30 C ATOM 0 H VAL A 3 3.442 -5.245 -6.739 1.00 1.57 H new ATOM 0 HA VAL A 3 3.011 -4.658 -3.921 1.00 1.52 H new ATOM 0 HB VAL A 3 2.996 -7.134 -4.022 1.00 2.02 H new ATOM 0 HG11 VAL A 3 0.962 -7.300 -5.566 1.00 3.18 H new ATOM 0 HG12 VAL A 3 0.907 -5.847 -4.539 1.00 3.18 H new ATOM 0 HG13 VAL A 3 1.398 -5.713 -6.244 1.00 3.18 H new ATOM 0 HG21 VAL A 3 3.004 -8.340 -6.214 1.00 3.30 H new ATOM 0 HG22 VAL A 3 3.559 -6.846 -7.006 1.00 3.30 H new ATOM 0 HG23 VAL A 3 4.591 -7.649 -5.799 1.00 3.30 H new ATOM 45 N GLU A 4 5.888 -5.984 -4.532 1.00 1.07 N ATOM 46 CA GLU A 4 7.236 -6.079 -3.906 1.00 0.86 C ATOM 47 C GLU A 4 7.667 -4.635 -3.483 1.00 0.68 C ATOM 48 O GLU A 4 8.251 -4.396 -2.442 1.00 0.88 O ATOM 49 CB GLU A 4 8.226 -6.685 -4.937 1.00 0.76 C ATOM 50 CG GLU A 4 7.591 -7.805 -5.842 1.00 1.55 C ATOM 51 CD GLU A 4 7.238 -7.280 -7.209 1.00 1.12 C ATOM 52 OE1 GLU A 4 8.117 -7.326 -8.042 1.00 1.58 O ATOM 53 OE2 GLU A 4 6.134 -6.827 -7.447 1.00 1.51 O ATOM 0 H GLU A 4 5.783 -6.482 -5.416 1.00 1.07 H new ATOM 0 HA GLU A 4 7.227 -6.723 -3.027 1.00 0.86 H new ATOM 0 HB2 GLU A 4 8.606 -5.887 -5.575 1.00 0.76 H new ATOM 0 HB3 GLU A 4 9.081 -7.102 -4.405 1.00 0.76 H new ATOM 0 HG2 GLU A 4 8.291 -8.635 -5.940 1.00 1.55 H new ATOM 0 HG3 GLU A 4 6.696 -8.198 -5.360 1.00 1.55 H new ATOM 60 N GLN A 5 7.336 -3.693 -4.336 1.00 0.55 N ATOM 61 CA GLN A 5 7.647 -2.258 -4.126 1.00 0.60 C ATOM 62 C GLN A 5 7.031 -1.787 -2.795 1.00 0.53 C ATOM 63 O GLN A 5 7.751 -1.346 -1.924 1.00 0.72 O ATOM 64 CB GLN A 5 7.142 -1.550 -5.442 1.00 1.00 C ATOM 65 CG GLN A 5 7.909 -0.196 -5.621 1.00 1.37 C ATOM 66 CD GLN A 5 7.540 0.764 -4.531 1.00 1.38 C ATOM 67 OE1 GLN A 5 6.477 0.542 -3.862 1.00 2.17 O flip ATOM 68 NE2 GLN A 5 8.186 1.741 -4.242 1.00 1.62 N flip ATOM 0 H GLN A 5 6.840 -3.880 -5.207 1.00 0.55 H new ATOM 0 HA GLN A 5 8.702 -2.016 -3.999 1.00 0.60 H new ATOM 0 HB2 GLN A 5 7.311 -2.195 -6.305 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.069 -1.370 -5.384 1.00 1.00 H new ATOM 0 HG2 GLN A 5 8.984 -0.376 -5.607 1.00 1.37 H new ATOM 0 HG3 GLN A 5 7.671 0.238 -6.592 1.00 1.37 H new ATOM 0 HE21 GLN A 5 9.043 1.955 -4.752 1.00 1.62 H new ATOM 0 HE22 GLN A 5 7.875 2.353 -3.487 1.00 1.62 H new ATOM 77 N CYS A 6 5.752 -1.864 -2.597 1.00 0.52 N ATOM 78 CA CYS A 6 5.264 -1.377 -1.241 1.00 0.56 C ATOM 79 C CYS A 6 5.640 -2.304 -0.075 1.00 0.83 C ATOM 80 O CYS A 6 5.728 -1.885 1.069 1.00 0.90 O ATOM 81 CB CYS A 6 3.774 -1.145 -1.476 1.00 0.71 C ATOM 82 SG CYS A 6 3.594 0.290 -2.563 1.00 1.82 S ATOM 0 H CYS A 6 5.049 -2.213 -3.249 1.00 0.52 H new ATOM 0 HA CYS A 6 5.751 -0.463 -0.902 1.00 0.56 H new ATOM 0 HB2 CYS A 6 3.318 -2.025 -1.929 1.00 0.71 H new ATOM 0 HB3 CYS A 6 3.262 -0.972 -0.530 1.00 0.71 H new ATOM 87 N CYS A 7 5.859 -3.556 -0.334 1.00 1.03 N ATOM 88 CA CYS A 7 6.249 -4.431 0.788 1.00 1.29 C ATOM 89 C CYS A 7 7.715 -4.106 1.228 1.00 1.25 C ATOM 90 O CYS A 7 7.962 -3.913 2.401 1.00 1.53 O ATOM 91 CB CYS A 7 6.072 -5.852 0.321 1.00 1.31 C ATOM 92 SG CYS A 7 6.902 -7.083 1.354 1.00 0.94 S ATOM 0 H CYS A 7 5.787 -4.000 -1.249 1.00 1.03 H new ATOM 0 HA CYS A 7 5.629 -4.272 1.670 1.00 1.29 H new ATOM 0 HB2 CYS A 7 5.007 -6.081 0.288 1.00 1.31 H new ATOM 0 HB3 CYS A 7 6.448 -5.937 -0.698 1.00 1.31 H new ATOM 97 N THR A 8 8.648 -4.035 0.310 1.00 1.05 N ATOM 98 CA THR A 8 10.100 -3.713 0.660 1.00 1.22 C ATOM 99 C THR A 8 10.618 -2.370 0.147 1.00 1.09 C ATOM 100 O THR A 8 11.590 -1.857 0.647 1.00 1.11 O ATOM 101 CB THR A 8 11.068 -4.775 0.121 1.00 1.43 C ATOM 102 OG1 THR A 8 10.780 -5.928 0.883 1.00 2.07 O ATOM 103 CG2 THR A 8 12.497 -4.495 0.594 1.00 1.92 C ATOM 0 H THR A 8 8.479 -4.186 -0.685 1.00 1.05 H new ATOM 0 HA THR A 8 10.077 -3.685 1.749 1.00 1.22 H new ATOM 0 HB THR A 8 10.979 -4.828 -0.964 1.00 1.43 H new ATOM 0 HG1 THR A 8 11.361 -6.663 0.597 1.00 2.07 H new ATOM 0 HG21 THR A 8 13.167 -5.260 0.201 1.00 1.92 H new ATOM 0 HG22 THR A 8 12.814 -3.516 0.235 1.00 1.92 H new ATOM 0 HG23 THR A 8 12.529 -4.510 1.683 1.00 1.92 H new ATOM 111 N SER A 9 10.045 -1.758 -0.841 1.00 0.96 N ATOM 112 CA SER A 9 10.591 -0.439 -1.286 1.00 0.89 C ATOM 113 C SER A 9 9.938 0.650 -0.413 1.00 1.07 C ATOM 114 O SER A 9 9.234 0.342 0.530 1.00 2.34 O ATOM 115 CB SER A 9 10.259 -0.157 -2.757 1.00 0.74 C ATOM 116 OG SER A 9 10.756 -1.304 -3.445 1.00 0.73 O ATOM 0 H SER A 9 9.235 -2.100 -1.358 1.00 0.96 H new ATOM 0 HA SER A 9 11.676 -0.448 -1.184 1.00 0.89 H new ATOM 0 HB2 SER A 9 9.187 -0.033 -2.908 1.00 0.74 H new ATOM 0 HB3 SER A 9 10.738 0.758 -3.107 1.00 0.74 H new ATOM 0 HG SER A 9 10.583 -1.210 -4.405 1.00 0.73 H new ATOM 122 N ILE A 10 10.163 1.894 -0.699 1.00 0.35 N ATOM 123 CA ILE A 10 9.567 2.993 0.099 1.00 0.50 C ATOM 124 C ILE A 10 8.311 3.547 -0.588 1.00 0.74 C ATOM 125 O ILE A 10 8.297 4.354 -1.500 1.00 1.38 O ATOM 126 CB ILE A 10 10.645 4.006 0.272 1.00 0.64 C ATOM 127 CG1 ILE A 10 11.930 3.440 0.797 1.00 1.35 C ATOM 128 CG2 ILE A 10 10.168 5.215 1.098 1.00 1.40 C ATOM 129 CD1 ILE A 10 11.678 2.507 1.922 1.00 0.76 C ATOM 0 H ILE A 10 10.751 2.204 -1.473 1.00 0.35 H new ATOM 0 HA ILE A 10 9.221 2.656 1.076 1.00 0.50 H new ATOM 0 HB ILE A 10 10.875 4.361 -0.732 1.00 0.64 H new ATOM 0 HG12 ILE A 10 12.455 2.918 -0.003 1.00 1.35 H new ATOM 0 HG13 ILE A 10 12.579 4.250 1.130 1.00 1.35 H new ATOM 0 HG21 ILE A 10 10.984 5.930 1.201 1.00 1.40 H new ATOM 0 HG22 ILE A 10 9.329 5.693 0.593 1.00 1.40 H new ATOM 0 HG23 ILE A 10 9.853 4.879 2.086 1.00 1.40 H new ATOM 0 HD11 ILE A 10 12.626 2.110 2.285 1.00 0.76 H new ATOM 0 HD12 ILE A 10 11.174 3.038 2.729 1.00 0.76 H new ATOM 0 HD13 ILE A 10 11.048 1.686 1.580 1.00 0.76 H new ATOM 141 N CYS A 11 7.242 3.041 -0.065 1.00 0.39 N ATOM 142 CA CYS A 11 5.876 3.383 -0.553 1.00 0.40 C ATOM 143 C CYS A 11 4.907 4.292 0.271 1.00 0.51 C ATOM 144 O CYS A 11 5.042 4.476 1.465 1.00 1.26 O ATOM 145 CB CYS A 11 5.379 2.018 -0.812 1.00 0.96 C ATOM 146 SG CYS A 11 3.643 1.801 -1.231 1.00 0.84 S ATOM 0 H CYS A 11 7.253 2.379 0.711 1.00 0.39 H new ATOM 0 HA CYS A 11 5.925 4.085 -1.385 1.00 0.40 H new ATOM 0 HB2 CYS A 11 5.971 1.599 -1.625 1.00 0.96 H new ATOM 0 HB3 CYS A 11 5.584 1.417 0.074 1.00 0.96 H new ATOM 151 N SER A 12 3.917 4.854 -0.388 1.00 0.22 N ATOM 152 CA SER A 12 2.910 5.767 0.292 1.00 0.63 C ATOM 153 C SER A 12 1.751 6.287 -0.620 1.00 0.18 C ATOM 154 O SER A 12 1.022 5.534 -1.223 1.00 0.33 O ATOM 155 CB SER A 12 3.731 6.967 0.871 1.00 1.33 C ATOM 156 OG SER A 12 2.849 7.782 1.659 1.00 2.13 O ATOM 0 H SER A 12 3.754 4.722 -1.386 1.00 0.22 H new ATOM 0 HA SER A 12 2.393 5.189 1.058 1.00 0.63 H new ATOM 0 HB2 SER A 12 4.557 6.602 1.482 1.00 1.33 H new ATOM 0 HB3 SER A 12 4.168 7.553 0.062 1.00 1.33 H new ATOM 0 HG SER A 12 2.677 7.342 2.517 1.00 2.13 H new ATOM 162 N LEU A 13 1.586 7.580 -0.683 1.00 0.55 N ATOM 163 CA LEU A 13 0.525 8.257 -1.517 1.00 1.12 C ATOM 164 C LEU A 13 0.191 7.562 -2.867 1.00 0.94 C ATOM 165 O LEU A 13 -0.842 6.947 -3.024 1.00 0.74 O ATOM 166 CB LEU A 13 1.016 9.722 -1.736 1.00 1.83 C ATOM 167 CG LEU A 13 1.145 10.483 -0.397 1.00 1.72 C ATOM 168 CD1 LEU A 13 1.778 11.838 -0.701 1.00 3.02 C ATOM 169 CD2 LEU A 13 -0.254 10.774 0.154 1.00 1.15 C ATOM 0 H LEU A 13 2.171 8.236 -0.165 1.00 0.55 H new ATOM 0 HA LEU A 13 -0.422 8.206 -0.979 1.00 1.12 H new ATOM 0 HB2 LEU A 13 1.980 9.711 -2.244 1.00 1.83 H new ATOM 0 HB3 LEU A 13 0.318 10.247 -2.388 1.00 1.83 H new ATOM 0 HG LEU A 13 1.729 9.895 0.311 1.00 1.72 H new ATOM 0 HD11 LEU A 13 1.885 12.405 0.224 1.00 3.02 H new ATOM 0 HD12 LEU A 13 2.760 11.688 -1.151 1.00 3.02 H new ATOM 0 HD13 LEU A 13 1.142 12.390 -1.393 1.00 3.02 H new ATOM 0 HD21 LEU A 13 -0.169 11.311 1.099 1.00 1.15 H new ATOM 0 HD22 LEU A 13 -0.807 11.383 -0.561 1.00 1.15 H new ATOM 0 HD23 LEU A 13 -0.783 9.835 0.317 1.00 1.15 H new ATOM 181 N TYR A 14 1.110 7.677 -3.791 1.00 1.20 N ATOM 182 CA TYR A 14 0.983 7.076 -5.181 1.00 1.34 C ATOM 183 C TYR A 14 0.412 5.650 -5.091 1.00 0.92 C ATOM 184 O TYR A 14 -0.378 5.212 -5.900 1.00 0.88 O ATOM 185 CB TYR A 14 2.410 7.125 -5.834 1.00 1.88 C ATOM 186 CG TYR A 14 3.427 6.806 -4.751 1.00 3.00 C ATOM 187 CD1 TYR A 14 3.708 5.510 -4.395 1.00 4.75 C ATOM 188 CD2 TYR A 14 4.041 7.843 -4.091 1.00 2.45 C ATOM 189 CE1 TYR A 14 4.595 5.257 -3.374 1.00 5.95 C ATOM 190 CE2 TYR A 14 4.924 7.583 -3.071 1.00 3.72 C ATOM 191 CZ TYR A 14 5.206 6.298 -2.705 1.00 5.46 C ATOM 192 OH TYR A 14 6.072 6.097 -1.660 1.00 6.70 O ATOM 0 H TYR A 14 1.984 8.182 -3.644 1.00 1.20 H new ATOM 0 HA TYR A 14 0.287 7.636 -5.805 1.00 1.34 H new ATOM 0 HB2 TYR A 14 2.482 6.405 -6.650 1.00 1.88 H new ATOM 0 HB3 TYR A 14 2.602 8.110 -6.260 1.00 1.88 H new ATOM 0 HD1 TYR A 14 3.234 4.691 -4.915 1.00 4.75 H new ATOM 0 HD2 TYR A 14 3.829 8.863 -4.374 1.00 2.45 H new ATOM 0 HE1 TYR A 14 4.814 4.237 -3.094 1.00 5.95 H new ATOM 0 HE2 TYR A 14 5.400 8.403 -2.554 1.00 3.72 H new ATOM 0 HH TYR A 14 6.828 5.552 -1.962 1.00 6.70 H new ATOM 202 N GLN A 15 0.863 4.990 -4.067 1.00 0.80 N ATOM 203 CA GLN A 15 0.437 3.597 -3.774 1.00 1.03 C ATOM 204 C GLN A 15 -1.058 3.630 -3.394 1.00 0.88 C ATOM 205 O GLN A 15 -1.884 3.072 -4.088 1.00 1.08 O ATOM 206 CB GLN A 15 1.428 3.124 -2.692 1.00 1.08 C ATOM 207 CG GLN A 15 0.733 2.473 -1.493 1.00 3.03 C ATOM 208 CD GLN A 15 -0.105 1.241 -1.740 1.00 5.01 C ATOM 209 OE1 GLN A 15 -1.365 1.391 -1.812 1.00 5.54 O flip ATOM 210 NE2 GLN A 15 0.299 0.114 -1.873 1.00 6.64 N flip ATOM 0 H GLN A 15 1.532 5.371 -3.398 1.00 0.80 H new ATOM 0 HA GLN A 15 0.480 2.883 -4.596 1.00 1.03 H new ATOM 0 HB2 GLN A 15 2.126 2.412 -3.132 1.00 1.08 H new ATOM 0 HB3 GLN A 15 2.016 3.975 -2.347 1.00 1.08 H new ATOM 0 HG2 GLN A 15 1.500 2.214 -0.763 1.00 3.03 H new ATOM 0 HG3 GLN A 15 0.093 3.224 -1.030 1.00 3.03 H new ATOM 0 HE21 GLN A 15 1.300 -0.078 -1.826 1.00 6.64 H new ATOM 0 HE22 GLN A 15 -0.360 -0.648 -2.032 1.00 6.64 H new ATOM 219 N LEU A 16 -1.390 4.288 -2.314 1.00 0.82 N ATOM 220 CA LEU A 16 -2.825 4.378 -1.859 1.00 1.16 C ATOM 221 C LEU A 16 -3.734 4.585 -3.088 1.00 0.99 C ATOM 222 O LEU A 16 -4.710 3.901 -3.309 1.00 1.30 O ATOM 223 CB LEU A 16 -2.980 5.560 -0.864 1.00 1.38 C ATOM 224 CG LEU A 16 -2.034 5.335 0.307 1.00 1.55 C ATOM 225 CD1 LEU A 16 -1.903 6.628 1.097 1.00 2.21 C ATOM 226 CD2 LEU A 16 -2.630 4.319 1.253 1.00 1.24 C ATOM 0 H LEU A 16 -0.724 4.776 -1.715 1.00 0.82 H new ATOM 0 HA LEU A 16 -3.114 3.456 -1.354 1.00 1.16 H new ATOM 0 HB2 LEU A 16 -2.752 6.504 -1.359 1.00 1.38 H new ATOM 0 HB3 LEU A 16 -4.009 5.626 -0.512 1.00 1.38 H new ATOM 0 HG LEU A 16 -1.073 4.999 -0.082 1.00 1.55 H new ATOM 0 HD11 LEU A 16 -1.226 6.474 1.938 1.00 2.21 H new ATOM 0 HD12 LEU A 16 -1.506 7.411 0.451 1.00 2.21 H new ATOM 0 HD13 LEU A 16 -2.883 6.927 1.470 1.00 2.21 H new ATOM 0 HD21 LEU A 16 -1.951 4.160 2.091 1.00 1.24 H new ATOM 0 HD22 LEU A 16 -3.586 4.686 1.626 1.00 1.24 H new ATOM 0 HD23 LEU A 16 -2.783 3.377 0.726 1.00 1.24 H new ATOM 238 N GLU A 17 -3.282 5.558 -3.812 1.00 0.59 N ATOM 239 CA GLU A 17 -3.861 6.071 -5.080 1.00 0.70 C ATOM 240 C GLU A 17 -4.025 5.100 -6.274 1.00 0.53 C ATOM 241 O GLU A 17 -5.078 4.595 -6.606 1.00 0.59 O ATOM 242 CB GLU A 17 -2.942 7.279 -5.448 1.00 0.96 C ATOM 243 CG GLU A 17 -3.381 8.603 -4.754 1.00 1.24 C ATOM 244 CD GLU A 17 -4.539 9.271 -5.485 1.00 1.71 C ATOM 245 OE1 GLU A 17 -4.368 9.449 -6.680 1.00 2.82 O ATOM 246 OE2 GLU A 17 -5.499 9.559 -4.799 1.00 1.95 O ATOM 0 H GLU A 17 -2.443 6.071 -3.543 1.00 0.59 H new ATOM 0 HA GLU A 17 -4.908 6.310 -4.896 1.00 0.70 H new ATOM 0 HB2 GLU A 17 -1.915 7.048 -5.164 1.00 0.96 H new ATOM 0 HB3 GLU A 17 -2.950 7.420 -6.529 1.00 0.96 H new ATOM 0 HG2 GLU A 17 -3.674 8.394 -3.725 1.00 1.24 H new ATOM 0 HG3 GLU A 17 -2.535 9.289 -4.712 1.00 1.24 H new ATOM 253 N ASN A 18 -2.925 4.848 -6.916 1.00 0.46 N ATOM 254 CA ASN A 18 -2.903 3.942 -8.099 1.00 0.53 C ATOM 255 C ASN A 18 -3.121 2.447 -7.777 1.00 0.60 C ATOM 256 O ASN A 18 -3.350 1.655 -8.667 1.00 0.72 O ATOM 257 CB ASN A 18 -1.537 4.201 -8.789 1.00 0.71 C ATOM 258 CG ASN A 18 -1.358 5.659 -9.191 1.00 0.73 C ATOM 259 OD1 ASN A 18 -2.215 6.568 -8.885 1.00 0.70 O flip ATOM 260 ND2 ASN A 18 -0.394 6.023 -9.816 1.00 1.27 N flip ATOM 0 H ASN A 18 -2.017 5.240 -6.667 1.00 0.46 H new ATOM 0 HA ASN A 18 -3.748 4.167 -8.750 1.00 0.53 H new ATOM 0 HB2 ASN A 18 -0.731 3.911 -8.114 1.00 0.71 H new ATOM 0 HB3 ASN A 18 -1.454 3.570 -9.674 1.00 0.71 H new ATOM 0 HD21 ASN A 18 0.321 5.349 -10.089 1.00 1.27 H new ATOM 0 HD22 ASN A 18 -0.293 7.005 -10.072 1.00 1.27 H new ATOM 267 N TYR A 19 -3.038 2.107 -6.521 1.00 0.59 N ATOM 268 CA TYR A 19 -3.228 0.688 -6.091 1.00 0.77 C ATOM 269 C TYR A 19 -4.643 0.527 -5.470 1.00 0.99 C ATOM 270 O TYR A 19 -5.321 -0.442 -5.734 1.00 1.82 O ATOM 271 CB TYR A 19 -2.151 0.325 -5.041 1.00 0.99 C ATOM 272 CG TYR A 19 -0.675 0.603 -5.418 1.00 0.70 C ATOM 273 CD1 TYR A 19 -0.223 1.496 -6.377 1.00 1.65 C ATOM 274 CD2 TYR A 19 0.274 -0.083 -4.707 1.00 0.70 C ATOM 275 CE1 TYR A 19 1.128 1.684 -6.598 1.00 2.10 C ATOM 276 CE2 TYR A 19 1.615 0.105 -4.928 1.00 1.08 C ATOM 277 CZ TYR A 19 2.052 0.988 -5.872 1.00 1.69 C ATOM 278 OH TYR A 19 3.396 1.178 -6.078 1.00 2.36 O ATOM 0 H TYR A 19 -2.844 2.760 -5.762 1.00 0.59 H new ATOM 0 HA TYR A 19 -3.133 0.024 -6.950 1.00 0.77 H new ATOM 0 HB2 TYR A 19 -2.375 0.871 -4.125 1.00 0.99 H new ATOM 0 HB3 TYR A 19 -2.247 -0.736 -4.811 1.00 0.99 H new ATOM 0 HD1 TYR A 19 -0.939 2.054 -6.962 1.00 1.65 H new ATOM 0 HD2 TYR A 19 -0.041 -0.790 -3.954 1.00 0.70 H new ATOM 0 HE1 TYR A 19 1.456 2.386 -7.350 1.00 2.10 H new ATOM 0 HE2 TYR A 19 2.334 -0.453 -4.347 1.00 1.08 H new ATOM 0 HH TYR A 19 3.882 1.013 -5.243 1.00 2.36 H new ATOM 288 N CYS A 20 -5.011 1.511 -4.690 1.00 0.75 N ATOM 289 CA CYS A 20 -6.331 1.583 -3.971 1.00 1.01 C ATOM 290 C CYS A 20 -7.114 0.282 -3.512 1.00 1.58 C ATOM 291 O CYS A 20 -6.503 -0.734 -3.243 1.00 2.33 O ATOM 292 CB CYS A 20 -7.121 2.509 -4.937 1.00 1.13 C ATOM 293 SG CYS A 20 -8.724 3.163 -4.444 1.00 1.25 S ATOM 0 H CYS A 20 -4.414 2.319 -4.510 1.00 0.75 H new ATOM 0 HA CYS A 20 -6.173 1.926 -2.949 1.00 1.01 H new ATOM 0 HB2 CYS A 20 -6.480 3.360 -5.167 1.00 1.13 H new ATOM 0 HB3 CYS A 20 -7.267 1.959 -5.867 1.00 1.13 H new ATOM 298 N ASN A 21 -8.427 0.409 -3.460 1.00 1.57 N ATOM 299 CA ASN A 21 -9.454 -0.584 -3.083 1.00 2.39 C ATOM 300 C ASN A 21 -9.350 -1.572 -1.879 1.00 3.85 C ATOM 301 O ASN A 21 -10.411 -2.003 -1.448 1.00 4.48 O ATOM 302 CB ASN A 21 -9.694 -1.230 -4.492 1.00 2.38 C ATOM 303 CG ASN A 21 -8.472 -1.359 -5.362 1.00 2.73 C ATOM 304 OD1 ASN A 21 -8.043 -0.300 -5.948 1.00 4.38 O flip ATOM 305 ND2 ASN A 21 -7.879 -2.396 -5.536 1.00 1.83 N flip ATOM 306 OXT ASN A 21 -8.282 -1.864 -1.400 1.00 4.56 O ATOM 0 H ASN A 21 -8.861 1.299 -3.704 1.00 1.57 H new ATOM 0 HA ASN A 21 -10.274 -0.082 -2.569 1.00 2.39 H new ATOM 0 HB2 ASN A 21 -10.124 -2.222 -4.349 1.00 2.38 H new ATOM 0 HB3 ASN A 21 -10.436 -0.635 -5.024 1.00 2.38 H new ATOM 0 HD21 ASN A 21 -8.201 -3.250 -5.081 1.00 1.83 H new ATOM 0 HD22 ASN A 21 -7.056 -2.418 -6.138 1.00 1.83 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 4.242 9.117 3.079 1.00 2.17 N ATOM 315 CA PHE B 1 5.127 10.192 3.631 1.00 0.78 C ATOM 316 C PHE B 1 6.566 9.654 3.833 1.00 0.69 C ATOM 317 O PHE B 1 7.351 9.779 2.923 1.00 1.02 O ATOM 318 CB PHE B 1 4.529 10.742 5.007 1.00 2.08 C ATOM 319 CG PHE B 1 3.747 9.674 5.784 1.00 2.52 C ATOM 320 CD1 PHE B 1 2.446 9.381 5.418 1.00 2.52 C ATOM 321 CD2 PHE B 1 4.314 8.982 6.834 1.00 3.21 C ATOM 322 CE1 PHE B 1 1.731 8.413 6.088 1.00 3.03 C ATOM 323 CE2 PHE B 1 3.599 8.015 7.503 1.00 3.59 C ATOM 324 CZ PHE B 1 2.307 7.730 7.131 1.00 3.43 C ATOM 0 H1 PHE B 1 3.280 9.230 3.459 1.00 2.17 H new ATOM 0 H2 PHE B 1 4.215 9.188 2.042 1.00 2.17 H new ATOM 0 H3 PHE B 1 4.615 8.186 3.353 1.00 2.17 H new ATOM 0 HA PHE B 1 5.169 11.016 2.919 1.00 0.78 H new ATOM 0 HB2 PHE B 1 5.343 11.114 5.629 1.00 2.08 H new ATOM 0 HB3 PHE B 1 3.873 11.588 4.801 1.00 2.08 H new ATOM 0 HD1 PHE B 1 1.987 9.916 4.600 1.00 2.52 H new ATOM 0 HD2 PHE B 1 5.328 9.201 7.134 1.00 3.21 H new ATOM 0 HE1 PHE B 1 0.716 8.191 5.793 1.00 3.03 H new ATOM 0 HE2 PHE B 1 4.054 7.479 8.322 1.00 3.59 H new ATOM 0 HZ PHE B 1 1.747 6.971 7.657 1.00 3.43 H new ATOM 336 N VAL B 2 6.890 9.077 4.958 1.00 1.10 N ATOM 337 CA VAL B 2 8.279 8.532 5.214 1.00 1.35 C ATOM 338 C VAL B 2 8.137 7.127 5.802 1.00 1.55 C ATOM 339 O VAL B 2 8.632 6.683 6.818 1.00 2.55 O ATOM 340 CB VAL B 2 8.948 9.536 6.140 1.00 2.37 C ATOM 341 CG1 VAL B 2 8.271 9.671 7.513 1.00 2.86 C ATOM 342 CG2 VAL B 2 10.431 9.198 6.342 1.00 3.28 C ATOM 0 H VAL B 2 6.243 8.952 5.736 1.00 1.10 H new ATOM 0 HA VAL B 2 8.896 8.422 4.322 1.00 1.35 H new ATOM 0 HB VAL B 2 8.844 10.497 5.636 1.00 2.37 H new ATOM 0 HG11 VAL B 2 8.808 10.406 8.113 1.00 2.86 H new ATOM 0 HG12 VAL B 2 7.239 9.996 7.380 1.00 2.86 H new ATOM 0 HG13 VAL B 2 8.285 8.707 8.022 1.00 2.86 H new ATOM 0 HG21 VAL B 2 10.884 9.932 7.008 1.00 3.28 H new ATOM 0 HG22 VAL B 2 10.521 8.205 6.782 1.00 3.28 H new ATOM 0 HG23 VAL B 2 10.943 9.217 5.380 1.00 3.28 H new ATOM 352 N ASN B 3 7.367 6.459 5.018 1.00 1.28 N ATOM 353 CA ASN B 3 6.987 5.054 5.253 1.00 2.26 C ATOM 354 C ASN B 3 8.159 4.063 5.005 1.00 1.54 C ATOM 355 O ASN B 3 8.566 3.800 3.892 1.00 2.26 O ATOM 356 CB ASN B 3 5.777 4.795 4.340 1.00 3.73 C ATOM 357 CG ASN B 3 4.699 5.822 4.624 1.00 4.42 C ATOM 358 OD1 ASN B 3 4.754 6.956 4.192 1.00 3.98 O ATOM 359 ND2 ASN B 3 3.685 5.521 5.354 1.00 5.84 N ATOM 0 H ASN B 3 6.960 6.854 4.170 1.00 1.28 H new ATOM 0 HA ASN B 3 6.730 4.885 6.299 1.00 2.26 H new ATOM 0 HB2 ASN B 3 6.079 4.849 3.294 1.00 3.73 H new ATOM 0 HB3 ASN B 3 5.390 3.790 4.508 1.00 3.73 H new ATOM 0 HD21 ASN B 3 2.970 6.222 5.548 1.00 5.84 H new ATOM 0 HD22 ASN B 3 3.595 4.581 5.739 1.00 5.84 H new ATOM 366 N GLN B 4 8.657 3.534 6.080 1.00 1.49 N ATOM 367 CA GLN B 4 9.803 2.555 6.049 1.00 1.58 C ATOM 368 C GLN B 4 9.290 1.133 5.749 1.00 1.71 C ATOM 369 O GLN B 4 9.339 0.214 6.541 1.00 2.65 O ATOM 370 CB GLN B 4 10.483 2.692 7.424 1.00 2.64 C ATOM 371 CG GLN B 4 10.686 4.226 7.672 1.00 2.32 C ATOM 372 CD GLN B 4 11.557 4.503 8.885 1.00 3.32 C ATOM 373 OE1 GLN B 4 12.673 4.065 9.004 1.00 4.28 O ATOM 374 NE2 GLN B 4 11.114 5.233 9.841 1.00 3.40 N ATOM 0 H GLN B 4 8.313 3.739 7.018 1.00 1.49 H new ATOM 0 HA GLN B 4 10.522 2.758 5.256 1.00 1.58 H new ATOM 0 HB2 GLN B 4 9.866 2.251 8.207 1.00 2.64 H new ATOM 0 HB3 GLN B 4 11.438 2.167 7.438 1.00 2.64 H new ATOM 0 HG2 GLN B 4 11.141 4.677 6.790 1.00 2.32 H new ATOM 0 HG3 GLN B 4 9.715 4.701 7.809 1.00 2.32 H new ATOM 0 HE21 GLN B 4 10.175 5.628 9.788 1.00 3.40 H new ATOM 0 HE22 GLN B 4 11.701 5.419 10.654 1.00 3.40 H new ATOM 383 N HIS B 5 8.805 1.092 4.544 1.00 0.87 N ATOM 384 CA HIS B 5 8.201 -0.102 3.878 1.00 0.77 C ATOM 385 C HIS B 5 6.849 -0.433 4.540 1.00 0.45 C ATOM 386 O HIS B 5 6.560 -0.010 5.649 1.00 0.35 O ATOM 387 CB HIS B 5 9.115 -1.298 3.982 1.00 0.94 C ATOM 388 CG HIS B 5 10.493 -0.822 3.711 1.00 1.03 C ATOM 389 ND1 HIS B 5 10.955 -0.514 2.574 1.00 0.79 N ATOM 390 CD2 HIS B 5 11.507 -0.613 4.574 1.00 1.50 C ATOM 391 CE1 HIS B 5 12.183 -0.135 2.702 1.00 1.13 C ATOM 392 NE2 HIS B 5 12.581 -0.180 3.948 1.00 1.58 N ATOM 0 H HIS B 5 8.803 1.914 3.940 1.00 0.87 H new ATOM 0 HA HIS B 5 8.053 0.131 2.824 1.00 0.77 H new ATOM 0 HB2 HIS B 5 9.051 -1.746 4.974 1.00 0.94 H new ATOM 0 HB3 HIS B 5 8.826 -2.067 3.265 1.00 0.94 H new ATOM 0 HD1 HIS B 5 10.439 -0.558 1.695 1.00 0.79 H new ATOM 0 HD2 HIS B 5 11.446 -0.779 5.639 1.00 1.50 H new ATOM 0 HE1 HIS B 5 12.807 0.181 1.879 1.00 1.13 H new ATOM 400 N LEU B 6 6.007 -1.171 3.878 1.00 0.36 N ATOM 401 CA LEU B 6 4.697 -1.478 4.539 1.00 0.14 C ATOM 402 C LEU B 6 4.250 -2.961 4.638 1.00 0.38 C ATOM 403 O LEU B 6 3.704 -3.378 5.640 1.00 1.15 O ATOM 404 CB LEU B 6 3.694 -0.559 3.772 1.00 0.46 C ATOM 405 CG LEU B 6 4.210 0.907 3.713 1.00 0.95 C ATOM 406 CD1 LEU B 6 5.036 1.136 2.444 1.00 1.75 C ATOM 407 CD2 LEU B 6 3.028 1.839 3.654 1.00 1.43 C ATOM 0 H LEU B 6 6.151 -1.564 2.948 1.00 0.36 H new ATOM 0 HA LEU B 6 4.766 -1.278 5.608 1.00 0.14 H new ATOM 0 HB2 LEU B 6 3.550 -0.938 2.760 1.00 0.46 H new ATOM 0 HB3 LEU B 6 2.722 -0.586 4.264 1.00 0.46 H new ATOM 0 HG LEU B 6 4.823 1.092 4.595 1.00 0.95 H new ATOM 0 HD11 LEU B 6 5.388 2.167 2.420 1.00 1.75 H new ATOM 0 HD12 LEU B 6 5.891 0.460 2.440 1.00 1.75 H new ATOM 0 HD13 LEU B 6 4.417 0.944 1.567 1.00 1.75 H new ATOM 0 HD21 LEU B 6 3.379 2.870 3.612 1.00 1.43 H new ATOM 0 HD22 LEU B 6 2.437 1.621 2.765 1.00 1.43 H new ATOM 0 HD23 LEU B 6 2.411 1.701 4.542 1.00 1.43 H new ATOM 419 N CYS B 7 4.505 -3.676 3.581 1.00 0.51 N ATOM 420 CA CYS B 7 4.175 -5.150 3.382 1.00 0.64 C ATOM 421 C CYS B 7 2.967 -5.804 4.131 1.00 0.72 C ATOM 422 O CYS B 7 2.059 -6.315 3.501 1.00 1.63 O ATOM 423 CB CYS B 7 5.462 -5.939 3.702 1.00 0.65 C ATOM 424 SG CYS B 7 5.563 -7.505 2.807 1.00 1.65 S ATOM 0 H CYS B 7 4.970 -3.274 2.767 1.00 0.51 H new ATOM 0 HA CYS B 7 3.824 -5.198 2.351 1.00 0.64 H new ATOM 0 HB2 CYS B 7 6.329 -5.327 3.454 1.00 0.65 H new ATOM 0 HB3 CYS B 7 5.506 -6.134 4.773 1.00 0.65 H new ATOM 429 N GLY B 8 2.960 -5.776 5.435 1.00 1.02 N ATOM 430 CA GLY B 8 1.830 -6.387 6.242 1.00 1.23 C ATOM 431 C GLY B 8 0.834 -5.302 6.654 1.00 1.31 C ATOM 432 O GLY B 8 0.488 -4.485 5.819 1.00 1.26 O ATOM 0 H GLY B 8 3.697 -5.351 5.998 1.00 1.02 H new ATOM 0 HA2 GLY B 8 1.324 -7.152 5.653 1.00 1.23 H new ATOM 0 HA3 GLY B 8 2.230 -6.880 7.128 1.00 1.23 H new ATOM 436 N SER B 9 0.385 -5.325 7.890 1.00 1.48 N ATOM 437 CA SER B 9 -0.603 -4.291 8.414 1.00 1.63 C ATOM 438 C SER B 9 -0.398 -2.947 7.729 1.00 1.43 C ATOM 439 O SER B 9 -1.148 -2.601 6.845 1.00 1.31 O ATOM 440 CB SER B 9 -0.429 -4.082 9.936 1.00 1.95 C ATOM 441 OG SER B 9 -0.548 -5.409 10.454 1.00 1.75 O ATOM 0 H SER B 9 0.660 -6.025 8.579 1.00 1.48 H new ATOM 0 HA SER B 9 -1.603 -4.670 8.201 1.00 1.63 H new ATOM 0 HB2 SER B 9 0.538 -3.640 10.175 1.00 1.95 H new ATOM 0 HB3 SER B 9 -1.192 -3.419 10.343 1.00 1.95 H new ATOM 0 HG SER B 9 -0.449 -5.390 11.429 1.00 1.75 H new ATOM 447 N HIS B 10 0.631 -2.266 8.163 1.00 1.43 N ATOM 448 CA HIS B 10 1.024 -0.924 7.629 1.00 1.36 C ATOM 449 C HIS B 10 0.540 -0.693 6.179 1.00 1.19 C ATOM 450 O HIS B 10 -0.126 0.268 5.854 1.00 1.22 O ATOM 451 CB HIS B 10 2.590 -0.824 7.728 1.00 1.21 C ATOM 452 CG HIS B 10 3.029 0.603 7.411 1.00 1.92 C ATOM 453 ND1 HIS B 10 4.194 0.997 7.012 1.00 2.01 N ATOM 454 CD2 HIS B 10 2.289 1.759 7.491 1.00 2.73 C ATOM 455 CE1 HIS B 10 4.181 2.287 6.859 1.00 2.74 C ATOM 456 NE2 HIS B 10 3.014 2.804 7.144 1.00 3.22 N ATOM 0 H HIS B 10 1.246 -2.603 8.904 1.00 1.43 H new ATOM 0 HA HIS B 10 0.544 -0.144 8.220 1.00 1.36 H new ATOM 0 HB2 HIS B 10 2.921 -1.104 8.728 1.00 1.21 H new ATOM 0 HB3 HIS B 10 3.055 -1.522 7.032 1.00 1.21 H new ATOM 0 HD1 HIS B 10 4.997 0.391 6.844 1.00 2.01 H new ATOM 0 HD2 HIS B 10 1.254 1.805 7.797 1.00 2.73 H new ATOM 0 HE1 HIS B 10 5.034 2.865 6.535 1.00 2.74 H new ATOM 464 N LEU B 11 0.900 -1.631 5.351 1.00 0.99 N ATOM 465 CA LEU B 11 0.533 -1.570 3.906 1.00 0.81 C ATOM 466 C LEU B 11 -0.937 -1.831 3.625 1.00 0.71 C ATOM 467 O LEU B 11 -1.655 -0.962 3.142 1.00 0.63 O ATOM 468 CB LEU B 11 1.402 -2.615 3.148 1.00 0.79 C ATOM 469 CG LEU B 11 1.449 -2.339 1.664 1.00 0.78 C ATOM 470 CD1 LEU B 11 2.507 -3.238 1.030 1.00 0.61 C ATOM 471 CD2 LEU B 11 0.158 -2.712 1.031 1.00 0.91 C ATOM 0 H LEU B 11 1.443 -2.453 5.617 1.00 0.99 H new ATOM 0 HA LEU B 11 0.721 -0.552 3.565 1.00 0.81 H new ATOM 0 HB2 LEU B 11 2.415 -2.606 3.551 1.00 0.79 H new ATOM 0 HB3 LEU B 11 1.000 -3.614 3.319 1.00 0.79 H new ATOM 0 HG LEU B 11 1.663 -1.280 1.518 1.00 0.78 H new ATOM 0 HD11 LEU B 11 2.551 -3.048 -0.042 1.00 0.61 H new ATOM 0 HD12 LEU B 11 3.479 -3.026 1.476 1.00 0.61 H new ATOM 0 HD13 LEU B 11 2.248 -4.283 1.203 1.00 0.61 H new ATOM 0 HD21 LEU B 11 0.205 -2.508 -0.039 1.00 0.91 H new ATOM 0 HD22 LEU B 11 -0.032 -3.773 1.190 1.00 0.91 H new ATOM 0 HD23 LEU B 11 -0.648 -2.128 1.477 1.00 0.91 H new ATOM 483 N VAL B 12 -1.356 -3.028 3.947 1.00 0.72 N ATOM 484 CA VAL B 12 -2.795 -3.335 3.665 1.00 0.66 C ATOM 485 C VAL B 12 -3.655 -2.210 4.230 1.00 0.70 C ATOM 486 O VAL B 12 -4.446 -1.638 3.515 1.00 0.63 O ATOM 487 CB VAL B 12 -3.213 -4.733 4.301 1.00 0.80 C ATOM 488 CG1 VAL B 12 -2.474 -5.875 3.603 1.00 0.56 C ATOM 489 CG2 VAL B 12 -2.888 -4.862 5.786 1.00 1.46 C ATOM 0 H VAL B 12 -0.801 -3.772 4.370 1.00 0.72 H new ATOM 0 HA VAL B 12 -2.945 -3.408 2.588 1.00 0.66 H new ATOM 0 HB VAL B 12 -4.294 -4.786 4.169 1.00 0.80 H new ATOM 0 HG11 VAL B 12 -2.769 -6.825 4.048 1.00 0.56 H new ATOM 0 HG12 VAL B 12 -2.726 -5.877 2.543 1.00 0.56 H new ATOM 0 HG13 VAL B 12 -1.399 -5.738 3.720 1.00 0.56 H new ATOM 0 HG21 VAL B 12 -3.204 -5.842 6.144 1.00 1.46 H new ATOM 0 HG22 VAL B 12 -1.814 -4.750 5.934 1.00 1.46 H new ATOM 0 HG23 VAL B 12 -3.414 -4.086 6.342 1.00 1.46 H new ATOM 499 N GLU B 13 -3.427 -1.938 5.476 1.00 0.82 N ATOM 500 CA GLU B 13 -4.109 -0.893 6.290 1.00 0.89 C ATOM 501 C GLU B 13 -4.097 0.408 5.451 1.00 0.82 C ATOM 502 O GLU B 13 -5.149 0.938 5.118 1.00 0.73 O ATOM 503 CB GLU B 13 -3.264 -0.932 7.550 1.00 0.93 C ATOM 504 CG GLU B 13 -3.898 -0.307 8.790 1.00 1.62 C ATOM 505 CD GLU B 13 -3.013 -0.543 10.037 1.00 2.09 C ATOM 506 OE1 GLU B 13 -1.981 -1.200 9.935 1.00 2.37 O ATOM 507 OE2 GLU B 13 -3.449 -0.035 11.047 1.00 2.92 O ATOM 0 H GLU B 13 -2.727 -2.449 6.014 1.00 0.82 H new ATOM 0 HA GLU B 13 -5.160 -1.009 6.555 1.00 0.89 H new ATOM 0 HB2 GLU B 13 -3.023 -1.972 7.772 1.00 0.93 H new ATOM 0 HB3 GLU B 13 -2.322 -0.422 7.350 1.00 0.93 H new ATOM 0 HG2 GLU B 13 -4.036 0.763 8.634 1.00 1.62 H new ATOM 0 HG3 GLU B 13 -4.887 -0.735 8.954 1.00 1.62 H new ATOM 514 N ALA B 14 -2.894 0.857 5.143 1.00 0.85 N ATOM 515 CA ALA B 14 -2.665 2.097 4.318 1.00 0.87 C ATOM 516 C ALA B 14 -3.778 2.164 3.262 1.00 0.65 C ATOM 517 O ALA B 14 -4.643 3.028 3.246 1.00 0.64 O ATOM 518 CB ALA B 14 -1.262 1.985 3.636 1.00 0.93 C ATOM 0 H ALA B 14 -2.033 0.398 5.441 1.00 0.85 H new ATOM 0 HA ALA B 14 -2.687 2.999 4.929 1.00 0.87 H new ATOM 0 HB1 ALA B 14 -1.078 2.875 3.034 1.00 0.93 H new ATOM 0 HB2 ALA B 14 -0.491 1.900 4.402 1.00 0.93 H new ATOM 0 HB3 ALA B 14 -1.238 1.103 2.997 1.00 0.93 H new ATOM 524 N LEU B 15 -3.698 1.186 2.391 1.00 0.52 N ATOM 525 CA LEU B 15 -4.722 1.140 1.322 1.00 0.50 C ATOM 526 C LEU B 15 -6.138 1.126 1.848 1.00 0.54 C ATOM 527 O LEU B 15 -6.882 2.077 1.727 1.00 0.71 O ATOM 528 CB LEU B 15 -4.618 -0.108 0.465 1.00 0.82 C ATOM 529 CG LEU B 15 -3.418 -0.085 -0.380 1.00 0.89 C ATOM 530 CD1 LEU B 15 -2.458 -1.071 0.175 1.00 0.30 C ATOM 531 CD2 LEU B 15 -3.913 -0.449 -1.774 1.00 1.39 C ATOM 0 H LEU B 15 -2.994 0.448 2.378 1.00 0.52 H new ATOM 0 HA LEU B 15 -4.521 2.046 0.750 1.00 0.50 H new ATOM 0 HB2 LEU B 15 -4.595 -0.989 1.106 1.00 0.82 H new ATOM 0 HB3 LEU B 15 -5.505 -0.193 -0.163 1.00 0.82 H new ATOM 0 HG LEU B 15 -2.901 0.874 -0.416 1.00 0.89 H new ATOM 0 HD11 LEU B 15 -1.553 -1.079 -0.432 1.00 0.30 H new ATOM 0 HD12 LEU B 15 -2.206 -0.797 1.199 1.00 0.30 H new ATOM 0 HD13 LEU B 15 -2.909 -2.063 0.166 1.00 0.30 H new ATOM 0 HD21 LEU B 15 -3.073 -0.454 -2.469 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -4.371 -1.438 -1.751 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -4.650 0.284 -2.101 1.00 1.39 H new ATOM 543 N TYR B 16 -6.387 -0.008 2.428 1.00 0.40 N ATOM 544 CA TYR B 16 -7.663 -0.391 3.037 1.00 0.31 C ATOM 545 C TYR B 16 -8.538 0.770 3.442 1.00 0.34 C ATOM 546 O TYR B 16 -9.704 0.859 3.126 1.00 0.41 O ATOM 547 CB TYR B 16 -7.339 -1.270 4.218 1.00 0.35 C ATOM 548 CG TYR B 16 -8.376 -2.358 4.415 1.00 0.47 C ATOM 549 CD1 TYR B 16 -9.139 -2.856 3.374 1.00 0.55 C ATOM 550 CD2 TYR B 16 -8.538 -2.879 5.666 1.00 1.26 C ATOM 551 CE1 TYR B 16 -10.041 -3.853 3.588 1.00 0.62 C ATOM 552 CE2 TYR B 16 -9.447 -3.883 5.875 1.00 1.45 C ATOM 553 CZ TYR B 16 -10.206 -4.378 4.841 1.00 0.91 C ATOM 554 OH TYR B 16 -11.123 -5.375 5.059 1.00 1.16 O ATOM 0 H TYR B 16 -5.682 -0.742 2.503 1.00 0.40 H new ATOM 0 HA TYR B 16 -8.258 -0.917 2.290 1.00 0.31 H new ATOM 0 HB2 TYR B 16 -6.359 -1.725 4.074 1.00 0.35 H new ATOM 0 HB3 TYR B 16 -7.278 -0.659 5.119 1.00 0.35 H new ATOM 0 HD1 TYR B 16 -9.018 -2.449 2.381 1.00 0.55 H new ATOM 0 HD2 TYR B 16 -7.951 -2.501 6.490 1.00 1.26 H new ATOM 0 HE1 TYR B 16 -10.629 -4.231 2.765 1.00 0.62 H new ATOM 0 HE2 TYR B 16 -9.569 -4.292 6.867 1.00 1.45 H new ATOM 0 HH TYR B 16 -11.109 -5.631 6.005 1.00 1.16 H new ATOM 564 N LEU B 17 -7.900 1.619 4.168 1.00 0.37 N ATOM 565 CA LEU B 17 -8.506 2.824 4.671 1.00 0.37 C ATOM 566 C LEU B 17 -8.488 4.038 3.802 1.00 0.51 C ATOM 567 O LEU B 17 -9.517 4.652 3.604 1.00 0.59 O ATOM 568 CB LEU B 17 -7.792 3.132 5.974 1.00 0.32 C ATOM 569 CG LEU B 17 -8.444 2.414 7.052 1.00 1.00 C ATOM 570 CD1 LEU B 17 -8.124 0.926 7.094 1.00 2.02 C ATOM 571 CD2 LEU B 17 -8.150 3.065 8.398 1.00 1.31 C ATOM 0 H LEU B 17 -6.924 1.503 4.440 1.00 0.37 H new ATOM 0 HA LEU B 17 -9.572 2.613 4.757 1.00 0.37 H new ATOM 0 HB2 LEU B 17 -6.744 2.840 5.907 1.00 0.32 H new ATOM 0 HB3 LEU B 17 -7.812 4.204 6.170 1.00 0.32 H new ATOM 0 HG LEU B 17 -9.511 2.483 6.842 1.00 1.00 H new ATOM 0 HD11 LEU B 17 -8.651 0.464 7.929 1.00 2.02 H new ATOM 0 HD12 LEU B 17 -8.441 0.459 6.161 1.00 2.02 H new ATOM 0 HD13 LEU B 17 -7.050 0.788 7.222 1.00 2.02 H new ATOM 0 HD21 LEU B 17 -8.651 2.507 9.189 1.00 1.31 H new ATOM 0 HD22 LEU B 17 -7.075 3.062 8.577 1.00 1.31 H new ATOM 0 HD23 LEU B 17 -8.514 4.092 8.392 1.00 1.31 H new ATOM 583 N VAL B 18 -7.340 4.373 3.293 1.00 0.62 N ATOM 584 CA VAL B 18 -7.388 5.593 2.464 1.00 0.84 C ATOM 585 C VAL B 18 -8.184 5.463 1.146 1.00 0.75 C ATOM 586 O VAL B 18 -8.898 6.336 0.695 1.00 0.89 O ATOM 587 CB VAL B 18 -5.931 6.026 2.147 1.00 1.04 C ATOM 588 CG1 VAL B 18 -5.925 7.331 1.326 1.00 1.28 C ATOM 589 CG2 VAL B 18 -5.154 6.297 3.442 1.00 1.08 C ATOM 0 H VAL B 18 -6.443 3.900 3.402 1.00 0.62 H new ATOM 0 HA VAL B 18 -7.926 6.339 3.049 1.00 0.84 H new ATOM 0 HB VAL B 18 -5.465 5.216 1.586 1.00 1.04 H new ATOM 0 HG11 VAL B 18 -4.896 7.621 1.112 1.00 1.28 H new ATOM 0 HG12 VAL B 18 -6.460 7.174 0.390 1.00 1.28 H new ATOM 0 HG13 VAL B 18 -6.414 8.121 1.895 1.00 1.28 H new ATOM 0 HG21 VAL B 18 -4.135 6.599 3.199 1.00 1.08 H new ATOM 0 HG22 VAL B 18 -5.645 7.094 4.001 1.00 1.08 H new ATOM 0 HG23 VAL B 18 -5.129 5.391 4.048 1.00 1.08 H new ATOM 599 N CYS B 19 -8.005 4.318 0.573 1.00 0.56 N ATOM 600 CA CYS B 19 -8.652 3.943 -0.730 1.00 0.45 C ATOM 601 C CYS B 19 -9.162 2.547 -0.729 1.00 0.24 C ATOM 602 O CYS B 19 -9.639 2.128 -1.766 1.00 0.34 O ATOM 603 CB CYS B 19 -7.633 4.023 -1.806 1.00 0.41 C ATOM 604 SG CYS B 19 -8.091 4.762 -3.391 1.00 0.81 S ATOM 0 H CYS B 19 -7.412 3.585 0.963 1.00 0.56 H new ATOM 0 HA CYS B 19 -9.486 4.628 -0.884 1.00 0.45 H new ATOM 0 HB2 CYS B 19 -6.784 4.583 -1.415 1.00 0.41 H new ATOM 0 HB3 CYS B 19 -7.283 3.010 -2.004 1.00 0.41 H new ATOM 609 N GLY B 20 -9.054 1.897 0.374 1.00 0.27 N ATOM 610 CA GLY B 20 -9.541 0.517 0.352 1.00 0.23 C ATOM 611 C GLY B 20 -10.976 0.306 0.188 1.00 0.09 C ATOM 612 O GLY B 20 -11.458 0.569 -0.886 1.00 0.90 O ATOM 0 H GLY B 20 -8.668 2.241 1.253 1.00 0.27 H new ATOM 0 HA2 GLY B 20 -9.031 -0.006 -0.457 1.00 0.23 H new ATOM 0 HA3 GLY B 20 -9.236 0.039 1.283 1.00 0.23 H new ATOM 616 N GLU B 21 -11.571 -0.106 1.267 1.00 1.14 N ATOM 617 CA GLU B 21 -13.038 -0.426 1.367 1.00 1.63 C ATOM 618 C GLU B 21 -13.833 -0.397 -0.012 1.00 1.63 C ATOM 619 O GLU B 21 -14.934 0.098 -0.162 1.00 1.36 O ATOM 620 CB GLU B 21 -13.469 0.593 2.472 1.00 1.92 C ATOM 621 CG GLU B 21 -14.885 0.207 3.019 1.00 2.88 C ATOM 622 CD GLU B 21 -15.231 1.011 4.268 1.00 2.92 C ATOM 623 OE1 GLU B 21 -15.528 2.178 4.101 1.00 2.30 O ATOM 624 OE2 GLU B 21 -15.168 0.383 5.311 1.00 3.85 O ATOM 0 H GLU B 21 -11.073 -0.245 2.146 1.00 1.14 H new ATOM 0 HA GLU B 21 -13.272 -1.457 1.631 1.00 1.63 H new ATOM 0 HB2 GLU B 21 -12.742 0.593 3.284 1.00 1.92 H new ATOM 0 HB3 GLU B 21 -13.489 1.603 2.062 1.00 1.92 H new ATOM 0 HG2 GLU B 21 -15.636 0.385 2.249 1.00 2.88 H new ATOM 0 HG3 GLU B 21 -14.911 -0.858 3.250 1.00 2.88 H new ATOM 631 N ARG B 22 -13.197 -0.963 -1.016 1.00 2.00 N ATOM 632 CA ARG B 22 -13.735 -1.056 -2.414 1.00 2.05 C ATOM 633 C ARG B 22 -13.309 -2.308 -3.266 1.00 1.89 C ATOM 634 O ARG B 22 -14.172 -3.036 -3.717 1.00 2.15 O ATOM 635 CB ARG B 22 -13.318 0.260 -3.196 1.00 1.88 C ATOM 636 CG ARG B 22 -14.082 1.571 -2.765 1.00 2.22 C ATOM 637 CD ARG B 22 -13.334 2.424 -1.770 1.00 2.99 C ATOM 638 NE ARG B 22 -12.031 2.756 -2.457 1.00 2.65 N ATOM 639 CZ ARG B 22 -11.800 3.868 -3.009 1.00 3.02 C ATOM 640 NH1 ARG B 22 -12.761 4.538 -3.440 1.00 4.04 N ATOM 641 NH2 ARG B 22 -10.625 4.254 -3.106 1.00 2.83 N ATOM 0 H ARG B 22 -12.275 -1.387 -0.913 1.00 2.00 H new ATOM 0 HA ARG B 22 -14.812 -1.171 -2.290 1.00 2.05 H new ATOM 0 HB2 ARG B 22 -12.249 0.421 -3.059 1.00 1.88 H new ATOM 0 HB3 ARG B 22 -13.482 0.097 -4.261 1.00 1.88 H new ATOM 0 HG2 ARG B 22 -14.289 2.167 -3.654 1.00 2.22 H new ATOM 0 HG3 ARG B 22 -15.045 1.293 -2.337 1.00 2.22 H new ATOM 0 HD2 ARG B 22 -13.893 3.326 -1.522 1.00 2.99 H new ATOM 0 HD3 ARG B 22 -13.165 1.888 -0.836 1.00 2.99 H new ATOM 0 HE ARG B 22 -11.300 2.045 -2.476 1.00 2.65 H new ATOM 0 HH11 ARG B 22 -13.713 4.185 -3.343 1.00 4.04 H new ATOM 0 HH12 ARG B 22 -12.594 5.439 -3.889 1.00 4.04 H new ATOM 0 HH21 ARG B 22 -9.867 3.676 -2.743 1.00 2.83 H new ATOM 0 HH22 ARG B 22 -10.417 5.149 -3.549 1.00 2.83 H new ATOM 655 N GLY B 23 -12.031 -2.557 -3.494 1.00 1.54 N ATOM 656 CA GLY B 23 -11.627 -3.777 -4.341 1.00 1.49 C ATOM 657 C GLY B 23 -10.233 -4.457 -4.224 1.00 1.82 C ATOM 658 O GLY B 23 -9.887 -5.305 -5.017 1.00 3.22 O ATOM 0 H GLY B 23 -11.256 -1.992 -3.146 1.00 1.54 H new ATOM 0 HA2 GLY B 23 -12.368 -4.552 -4.144 1.00 1.49 H new ATOM 0 HA3 GLY B 23 -11.743 -3.483 -5.384 1.00 1.49 H new ATOM 662 N PHE B 24 -9.526 -4.038 -3.232 1.00 0.90 N ATOM 663 CA PHE B 24 -8.146 -4.455 -2.832 1.00 1.03 C ATOM 664 C PHE B 24 -7.164 -5.287 -3.716 1.00 1.44 C ATOM 665 O PHE B 24 -7.238 -6.497 -3.830 1.00 1.87 O ATOM 666 CB PHE B 24 -8.322 -5.143 -1.466 1.00 1.49 C ATOM 667 CG PHE B 24 -7.258 -4.538 -0.550 1.00 1.15 C ATOM 668 CD1 PHE B 24 -6.015 -4.167 -1.037 1.00 1.89 C ATOM 669 CD2 PHE B 24 -7.538 -4.336 0.775 1.00 1.16 C ATOM 670 CE1 PHE B 24 -5.093 -3.618 -0.231 1.00 1.54 C ATOM 671 CE2 PHE B 24 -6.598 -3.778 1.594 1.00 1.47 C ATOM 672 CZ PHE B 24 -5.390 -3.427 1.068 1.00 0.96 C ATOM 0 H PHE B 24 -9.895 -3.330 -2.597 1.00 0.90 H new ATOM 0 HA PHE B 24 -7.599 -3.515 -2.904 1.00 1.03 H new ATOM 0 HB2 PHE B 24 -9.322 -4.971 -1.069 1.00 1.49 H new ATOM 0 HB3 PHE B 24 -8.194 -6.222 -1.553 1.00 1.49 H new ATOM 0 HD1 PHE B 24 -5.785 -4.322 -2.081 1.00 1.89 H new ATOM 0 HD2 PHE B 24 -8.502 -4.618 1.172 1.00 1.16 H new ATOM 0 HE1 PHE B 24 -4.126 -3.333 -0.619 1.00 1.54 H new ATOM 0 HE2 PHE B 24 -6.808 -3.617 2.641 1.00 1.47 H new ATOM 0 HZ PHE B 24 -4.648 -2.982 1.714 1.00 0.96 H new ATOM 682 N TYR B 25 -6.235 -4.576 -4.312 1.00 1.60 N ATOM 683 CA TYR B 25 -5.164 -5.171 -5.211 1.00 2.21 C ATOM 684 C TYR B 25 -4.235 -6.292 -4.571 1.00 2.29 C ATOM 685 O TYR B 25 -3.147 -6.574 -5.030 1.00 3.15 O ATOM 686 CB TYR B 25 -4.303 -3.944 -5.728 1.00 2.75 C ATOM 687 CG TYR B 25 -3.137 -3.578 -4.773 1.00 2.93 C ATOM 688 CD1 TYR B 25 -3.367 -3.178 -3.476 1.00 2.03 C ATOM 689 CD2 TYR B 25 -1.823 -3.654 -5.205 1.00 4.20 C ATOM 690 CE1 TYR B 25 -2.302 -2.869 -2.638 1.00 2.17 C ATOM 691 CE2 TYR B 25 -0.774 -3.339 -4.348 1.00 4.45 C ATOM 692 CZ TYR B 25 -1.014 -2.950 -3.073 1.00 3.37 C ATOM 693 OH TYR B 25 0.044 -2.657 -2.248 1.00 3.63 O ATOM 0 H TYR B 25 -6.165 -3.563 -4.213 1.00 1.60 H new ATOM 0 HA TYR B 25 -5.667 -5.720 -6.007 1.00 2.21 H new ATOM 0 HB2 TYR B 25 -3.899 -4.180 -6.712 1.00 2.75 H new ATOM 0 HB3 TYR B 25 -4.952 -3.077 -5.849 1.00 2.75 H new ATOM 0 HD1 TYR B 25 -4.380 -3.104 -3.108 1.00 2.03 H new ATOM 0 HD2 TYR B 25 -1.611 -3.961 -6.218 1.00 4.20 H new ATOM 0 HE1 TYR B 25 -2.500 -2.559 -1.623 1.00 2.17 H new ATOM 0 HE2 TYR B 25 0.244 -3.405 -4.703 1.00 4.45 H new ATOM 0 HH TYR B 25 0.884 -2.774 -2.739 1.00 3.63 H new ATOM 703 N THR B 26 -4.673 -6.944 -3.526 1.00 1.39 N ATOM 704 CA THR B 26 -3.887 -8.040 -2.811 1.00 1.40 C ATOM 705 C THR B 26 -2.369 -7.749 -2.586 1.00 1.42 C ATOM 706 O THR B 26 -1.497 -8.451 -3.047 1.00 1.85 O ATOM 707 CB THR B 26 -4.027 -9.401 -3.614 1.00 2.18 C ATOM 708 OG1 THR B 26 -3.132 -9.402 -4.715 1.00 2.93 O ATOM 709 CG2 THR B 26 -5.307 -9.456 -4.420 1.00 2.72 C ATOM 0 H THR B 26 -5.585 -6.764 -3.107 1.00 1.39 H new ATOM 0 HA THR B 26 -4.329 -8.096 -1.816 1.00 1.40 H new ATOM 0 HB THR B 26 -3.907 -10.176 -2.857 1.00 2.18 H new ATOM 0 HG1 THR B 26 -3.004 -8.484 -5.034 1.00 2.93 H new ATOM 0 HG21 THR B 26 -5.361 -10.405 -4.953 1.00 2.72 H new ATOM 0 HG22 THR B 26 -6.163 -9.367 -3.751 1.00 2.72 H new ATOM 0 HG23 THR B 26 -5.321 -8.635 -5.137 1.00 2.72 H new ATOM 717 N PRO B 27 -2.074 -6.704 -1.854 1.00 1.32 N ATOM 718 CA PRO B 27 -0.669 -6.192 -1.667 1.00 1.86 C ATOM 719 C PRO B 27 0.573 -7.133 -1.558 1.00 2.01 C ATOM 720 O PRO B 27 1.352 -7.170 -2.477 1.00 2.70 O ATOM 721 CB PRO B 27 -0.828 -5.275 -0.448 1.00 2.00 C ATOM 722 CG PRO B 27 -2.206 -5.635 0.150 1.00 1.25 C ATOM 723 CD PRO B 27 -3.048 -5.888 -1.082 1.00 1.16 C ATOM 0 HA PRO B 27 -0.361 -5.751 -2.615 1.00 1.86 H new ATOM 0 HB2 PRO B 27 -0.029 -5.439 0.275 1.00 2.00 H new ATOM 0 HB3 PRO B 27 -0.786 -4.225 -0.737 1.00 2.00 H new ATOM 0 HG2 PRO B 27 -2.152 -6.515 0.791 1.00 1.25 H new ATOM 0 HG3 PRO B 27 -2.609 -4.824 0.756 1.00 1.25 H new ATOM 0 HD2 PRO B 27 -3.969 -6.427 -0.861 1.00 1.16 H new ATOM 0 HD3 PRO B 27 -3.331 -4.970 -1.596 1.00 1.16 H new ATOM 731 N LYS B 28 0.732 -7.846 -0.467 1.00 2.31 N ATOM 732 CA LYS B 28 1.901 -8.806 -0.219 1.00 2.46 C ATOM 733 C LYS B 28 2.885 -9.167 -1.388 1.00 1.56 C ATOM 734 O LYS B 28 4.088 -9.131 -1.240 1.00 2.51 O ATOM 735 CB LYS B 28 1.299 -10.144 0.386 1.00 3.24 C ATOM 736 CG LYS B 28 0.732 -11.146 -0.683 1.00 2.56 C ATOM 737 CD LYS B 28 -0.533 -10.566 -1.367 1.00 2.34 C ATOM 738 CE LYS B 28 -1.023 -11.399 -2.592 1.00 1.89 C ATOM 739 NZ LYS B 28 -0.744 -10.651 -3.850 1.00 1.71 N ATOM 0 H LYS B 28 0.073 -7.810 0.311 1.00 2.31 H new ATOM 0 HA LYS B 28 2.554 -8.240 0.446 1.00 2.46 H new ATOM 0 HB2 LYS B 28 2.075 -10.648 0.962 1.00 3.24 H new ATOM 0 HB3 LYS B 28 0.501 -9.886 1.083 1.00 3.24 H new ATOM 0 HG2 LYS B 28 1.494 -11.353 -1.434 1.00 2.56 H new ATOM 0 HG3 LYS B 28 0.489 -12.095 -0.205 1.00 2.56 H new ATOM 0 HD2 LYS B 28 -1.337 -10.508 -0.634 1.00 2.34 H new ATOM 0 HD3 LYS B 28 -0.324 -9.547 -1.692 1.00 2.34 H new ATOM 0 HE2 LYS B 28 -0.519 -12.365 -2.612 1.00 1.89 H new ATOM 0 HE3 LYS B 28 -2.091 -11.598 -2.505 1.00 1.89 H new ATOM 0 HZ1 LYS B 28 -1.628 -10.530 -4.385 1.00 1.71 H new ATOM 0 HZ2 LYS B 28 -0.349 -9.717 -3.618 1.00 1.71 H new ATOM 0 HZ3 LYS B 28 -0.061 -11.183 -4.426 1.00 1.71 H new ATOM 753 N THR B 29 2.267 -9.487 -2.484 1.00 1.04 N ATOM 754 CA THR B 29 2.832 -9.899 -3.814 1.00 1.81 C ATOM 755 C THR B 29 1.896 -10.989 -4.365 1.00 2.95 C ATOM 756 O THR B 29 1.469 -10.804 -5.484 1.00 3.63 O ATOM 757 CB THR B 29 4.330 -10.450 -3.702 1.00 1.71 C ATOM 758 OG1 THR B 29 4.647 -10.923 -5.000 1.00 2.17 O ATOM 759 CG2 THR B 29 4.525 -11.725 -2.940 1.00 2.33 C ATOM 760 OXT THR B 29 1.588 -11.957 -3.700 1.00 3.36 O ATOM 0 H THR B 29 1.247 -9.478 -2.514 1.00 1.04 H new ATOM 0 HA THR B 29 2.885 -9.035 -4.477 1.00 1.81 H new ATOM 0 HB THR B 29 4.893 -9.638 -3.241 1.00 1.71 H new ATOM 0 HG1 THR B 29 5.561 -11.277 -5.005 1.00 2.17 H new ATOM 0 HG21 THR B 29 5.582 -11.990 -2.938 1.00 2.33 H new ATOM 0 HG22 THR B 29 4.183 -11.592 -1.914 1.00 2.33 H new ATOM 0 HG23 THR B 29 3.952 -12.523 -3.413 1.00 2.33 H new TER 768 THR B 29