USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 3 ASN : amide:sc= -1.92 X(o=-9.3,f=-9.6!) USER MOD Set 1.2: B 5 HIS :FLIP no HE2:sc= -7.37! C(o=-11!,f=-9.3!) USER MOD Set 2.1: A 12 SER OG : rot -160:sc= -0.101 USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=-0.1,f=-0.1) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0456 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 8 THR OG1 : rot 49:sc= 0.815 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.984 K(o=0.98,f=-0.82) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.64) USER MOD Single : B 16 TYR OH : rot 30:sc= -1.17 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 67:sc= 0.456 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.773 0.881 10.393 1.00 0.00 N ATOM 2 CA GLY A 1 -1.666 2.081 9.515 1.00 0.00 C ATOM 3 C GLY A 1 -2.919 2.192 8.646 1.00 0.00 C ATOM 4 O GLY A 1 -4.001 1.811 9.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.451 1.122 11.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.763 0.565 10.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.180 0.117 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.551 2.979 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.780 2.006 8.885 1.00 0.00 H new ATOM 10 N ILE A 2 -2.783 2.710 7.456 1.00 0.00 N ATOM 11 CA ILE A 2 -3.967 2.845 6.562 1.00 0.00 C ATOM 12 C ILE A 2 -4.448 1.455 6.140 1.00 0.00 C ATOM 13 O ILE A 2 -5.620 1.238 5.908 1.00 0.00 O ATOM 14 CB ILE A 2 -3.583 3.654 5.321 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.213 3.196 4.814 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.521 5.140 5.681 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.178 3.282 3.287 1.00 0.00 C ATOM 0 H ILE A 2 -1.903 3.046 7.064 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.767 3.360 7.094 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.329 3.498 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.428 3.820 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.018 2.173 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.248 5.717 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.496 5.468 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.775 5.295 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.202 2.956 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.953 2.640 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.354 4.312 2.976 1.00 0.00 H new ATOM 29 N VAL A 3 -3.552 0.512 6.042 1.00 0.00 N ATOM 30 CA VAL A 3 -3.949 -0.858 5.639 1.00 0.00 C ATOM 31 C VAL A 3 -4.802 -1.482 6.747 1.00 0.00 C ATOM 32 O VAL A 3 -5.804 -2.119 6.490 1.00 0.00 O ATOM 33 CB VAL A 3 -2.674 -1.678 5.411 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.964 -3.165 5.586 1.00 0.00 C ATOM 35 CG2 VAL A 3 -2.158 -1.427 3.992 1.00 0.00 C ATOM 0 H VAL A 3 -2.556 0.637 6.226 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.537 -0.838 4.721 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.922 -1.375 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.050 -3.736 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.329 -3.348 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.720 -3.475 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.251 -2.009 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.918 -1.726 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.937 -0.367 3.867 1.00 0.00 H new ATOM 45 N GLU A 4 -4.412 -1.302 7.976 1.00 0.00 N ATOM 46 CA GLU A 4 -5.199 -1.882 9.100 1.00 0.00 C ATOM 47 C GLU A 4 -6.554 -1.180 9.186 1.00 0.00 C ATOM 48 O GLU A 4 -7.572 -1.797 9.429 1.00 0.00 O ATOM 49 CB GLU A 4 -4.437 -1.686 10.412 1.00 0.00 C ATOM 50 CG GLU A 4 -4.607 -2.925 11.293 1.00 0.00 C ATOM 51 CD GLU A 4 -6.059 -3.020 11.766 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.891 -3.441 10.979 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.314 -2.671 12.906 1.00 0.00 O ATOM 0 H GLU A 4 -3.582 -0.778 8.252 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.352 -2.947 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.380 -1.514 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.809 -0.803 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.336 -3.821 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.937 -2.869 12.151 1.00 0.00 H new ATOM 60 N GLN A 5 -6.572 0.108 8.988 1.00 0.00 N ATOM 61 CA GLN A 5 -7.858 0.857 9.057 1.00 0.00 C ATOM 62 C GLN A 5 -8.608 0.712 7.731 1.00 0.00 C ATOM 63 O GLN A 5 -9.823 0.710 7.691 1.00 0.00 O ATOM 64 CB GLN A 5 -7.572 2.336 9.321 1.00 0.00 C ATOM 65 CG GLN A 5 -8.443 2.827 10.479 1.00 0.00 C ATOM 66 CD GLN A 5 -7.666 3.855 11.303 1.00 0.00 C ATOM 67 OE1 GLN A 5 -6.581 4.255 10.930 1.00 0.00 O ATOM 68 NE2 GLN A 5 -8.178 4.302 12.417 1.00 0.00 N ATOM 0 H GLN A 5 -5.750 0.676 8.781 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.469 0.454 9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.518 2.476 9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.776 2.922 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.360 3.272 10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.736 1.987 11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.089 3.966 12.730 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.667 4.987 12.974 1.00 0.00 H new ATOM 77 N CYS A 6 -7.895 0.597 6.645 1.00 0.00 N ATOM 78 CA CYS A 6 -8.570 0.460 5.323 1.00 0.00 C ATOM 79 C CYS A 6 -8.848 -1.017 5.031 1.00 0.00 C ATOM 80 O CYS A 6 -9.448 -1.356 4.030 1.00 0.00 O ATOM 81 CB CYS A 6 -7.670 1.034 4.227 1.00 0.00 C ATOM 82 SG CYS A 6 -8.440 0.757 2.613 1.00 0.00 S ATOM 0 H CYS A 6 -6.875 0.592 6.615 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.513 1.006 5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.514 2.100 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.689 0.560 4.261 1.00 0.00 H new ATOM 87 N CYS A 7 -8.417 -1.900 5.893 1.00 0.00 N ATOM 88 CA CYS A 7 -8.661 -3.353 5.656 1.00 0.00 C ATOM 89 C CYS A 7 -10.092 -3.557 5.150 1.00 0.00 C ATOM 90 O CYS A 7 -10.382 -4.502 4.444 1.00 0.00 O ATOM 91 CB CYS A 7 -8.467 -4.126 6.964 1.00 0.00 C ATOM 92 SG CYS A 7 -9.048 -5.830 6.754 1.00 0.00 S ATOM 0 H CYS A 7 -7.908 -1.679 6.749 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.956 -3.720 4.910 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.415 -4.122 7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.017 -3.640 7.770 1.00 0.00 H new ATOM 97 N THR A 8 -10.989 -2.677 5.503 1.00 0.00 N ATOM 98 CA THR A 8 -12.397 -2.822 5.039 1.00 0.00 C ATOM 99 C THR A 8 -12.431 -2.820 3.509 1.00 0.00 C ATOM 100 O THR A 8 -12.679 -1.807 2.885 1.00 0.00 O ATOM 101 CB THR A 8 -13.232 -1.654 5.570 1.00 0.00 C ATOM 102 OG1 THR A 8 -12.644 -0.428 5.159 1.00 0.00 O ATOM 103 CG2 THR A 8 -13.282 -1.712 7.097 1.00 0.00 C ATOM 0 H THR A 8 -10.807 -1.865 6.092 1.00 0.00 H new ATOM 0 HA THR A 8 -12.808 -3.760 5.411 1.00 0.00 H new ATOM 0 HB THR A 8 -14.245 -1.722 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.454 -0.462 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.877 -0.880 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.735 -2.653 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.270 -1.645 7.497 1.00 0.00 H new ATOM 111 N SER A 9 -12.182 -3.947 2.900 1.00 0.00 N ATOM 112 CA SER A 9 -12.198 -4.010 1.412 1.00 0.00 C ATOM 113 C SER A 9 -11.136 -3.067 0.847 1.00 0.00 C ATOM 114 O SER A 9 -10.113 -2.830 1.460 1.00 0.00 O ATOM 115 CB SER A 9 -13.572 -3.590 0.895 1.00 0.00 C ATOM 116 OG SER A 9 -14.574 -4.057 1.788 1.00 0.00 O ATOM 0 H SER A 9 -11.968 -4.827 3.369 1.00 0.00 H new ATOM 0 HA SER A 9 -11.986 -5.031 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.624 -2.505 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.738 -3.998 -0.102 1.00 0.00 H new ATOM 0 HG SER A 9 -15.457 -3.787 1.459 1.00 0.00 H new ATOM 122 N ILE A 10 -11.369 -2.525 -0.319 1.00 0.00 N ATOM 123 CA ILE A 10 -10.372 -1.596 -0.929 1.00 0.00 C ATOM 124 C ILE A 10 -10.909 -0.171 -0.852 1.00 0.00 C ATOM 125 O ILE A 10 -11.895 0.171 -1.474 1.00 0.00 O ATOM 126 CB ILE A 10 -10.100 -2.009 -2.400 1.00 0.00 C ATOM 127 CG1 ILE A 10 -9.896 -0.778 -3.309 1.00 0.00 C ATOM 128 CG2 ILE A 10 -11.283 -2.819 -2.936 1.00 0.00 C ATOM 129 CD1 ILE A 10 -8.566 -0.087 -2.986 1.00 0.00 C ATOM 0 H ILE A 10 -12.208 -2.686 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.430 -1.648 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.188 -2.606 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.909 -1.085 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.719 -0.077 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.088 -3.107 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.416 -3.714 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.188 -2.213 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.438 0.779 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.568 0.238 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.745 -0.785 -3.146 1.00 0.00 H new ATOM 141 N CYS A 11 -10.254 0.668 -0.105 1.00 0.00 N ATOM 142 CA CYS A 11 -10.711 2.073 -0.007 1.00 0.00 C ATOM 143 C CYS A 11 -9.841 2.912 -0.936 1.00 0.00 C ATOM 144 O CYS A 11 -8.637 2.968 -0.787 1.00 0.00 O ATOM 145 CB CYS A 11 -10.570 2.568 1.438 1.00 0.00 C ATOM 146 SG CYS A 11 -8.820 2.613 1.909 1.00 0.00 S ATOM 0 H CYS A 11 -9.423 0.440 0.441 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.759 2.155 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -11.007 3.562 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.120 1.911 2.112 1.00 0.00 H new ATOM 151 N SER A 12 -10.447 3.556 -1.895 1.00 0.00 N ATOM 152 CA SER A 12 -9.680 4.389 -2.856 1.00 0.00 C ATOM 153 C SER A 12 -8.312 3.762 -3.131 1.00 0.00 C ATOM 154 O SER A 12 -7.355 4.034 -2.441 1.00 0.00 O ATOM 155 CB SER A 12 -9.486 5.787 -2.270 1.00 0.00 C ATOM 156 OG SER A 12 -10.265 5.913 -1.087 1.00 0.00 O ATOM 0 H SER A 12 -11.454 3.538 -2.053 1.00 0.00 H new ATOM 0 HA SER A 12 -10.235 4.451 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.433 5.957 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.783 6.543 -2.997 1.00 0.00 H new ATOM 0 HG SER A 12 -10.403 6.862 -0.886 1.00 0.00 H new ATOM 162 N LEU A 13 -8.189 2.949 -4.145 1.00 0.00 N ATOM 163 CA LEU A 13 -6.849 2.372 -4.438 1.00 0.00 C ATOM 164 C LEU A 13 -5.906 3.552 -4.543 1.00 0.00 C ATOM 165 O LEU A 13 -4.737 3.477 -4.221 1.00 0.00 O ATOM 166 CB LEU A 13 -6.881 1.600 -5.760 1.00 0.00 C ATOM 167 CG LEU A 13 -5.473 1.111 -6.099 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.136 -0.111 -5.243 1.00 0.00 C ATOM 169 CD2 LEU A 13 -5.410 0.728 -7.579 1.00 0.00 C ATOM 0 H LEU A 13 -8.942 2.665 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.534 1.673 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.563 0.753 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.257 2.240 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.755 1.905 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.132 -0.459 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.182 0.160 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.854 -0.906 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.406 0.379 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.129 -0.066 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.650 1.598 -8.190 1.00 0.00 H new ATOM 181 N TYR A 14 -6.440 4.662 -4.957 1.00 0.00 N ATOM 182 CA TYR A 14 -5.622 5.893 -5.050 1.00 0.00 C ATOM 183 C TYR A 14 -5.091 6.200 -3.653 1.00 0.00 C ATOM 184 O TYR A 14 -3.993 6.689 -3.488 1.00 0.00 O ATOM 185 CB TYR A 14 -6.487 7.055 -5.544 1.00 0.00 C ATOM 186 CG TYR A 14 -6.170 7.338 -6.993 1.00 0.00 C ATOM 187 CD1 TYR A 14 -4.865 7.674 -7.371 1.00 0.00 C ATOM 188 CD2 TYR A 14 -7.182 7.263 -7.958 1.00 0.00 C ATOM 189 CE1 TYR A 14 -4.571 7.936 -8.715 1.00 0.00 C ATOM 190 CE2 TYR A 14 -6.888 7.525 -9.302 1.00 0.00 C ATOM 191 CZ TYR A 14 -5.582 7.861 -9.680 1.00 0.00 C ATOM 192 OH TYR A 14 -5.292 8.119 -11.005 1.00 0.00 O ATOM 0 H TYR A 14 -7.415 4.768 -5.237 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.799 5.755 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.543 6.809 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.301 7.943 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.085 7.731 -6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.189 7.003 -7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.564 8.196 -9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.668 7.468 -10.047 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.106 8.022 -11.543 1.00 0.00 H new ATOM 202 N GLN A 15 -5.859 5.893 -2.637 1.00 0.00 N ATOM 203 CA GLN A 15 -5.379 6.143 -1.250 1.00 0.00 C ATOM 204 C GLN A 15 -4.156 5.261 -1.003 1.00 0.00 C ATOM 205 O GLN A 15 -3.129 5.722 -0.545 1.00 0.00 O ATOM 206 CB GLN A 15 -6.478 5.800 -0.240 1.00 0.00 C ATOM 207 CG GLN A 15 -7.283 7.060 0.087 1.00 0.00 C ATOM 208 CD GLN A 15 -7.618 7.079 1.580 1.00 0.00 C ATOM 209 OE1 GLN A 15 -8.732 6.789 1.968 1.00 0.00 O ATOM 210 NE2 GLN A 15 -6.694 7.409 2.440 1.00 0.00 N ATOM 0 H GLN A 15 -6.790 5.483 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.119 7.195 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.135 5.032 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.036 5.392 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.711 7.949 -0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.200 7.082 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.758 7.653 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.907 7.423 3.437 1.00 0.00 H new ATOM 219 N LEU A 16 -4.243 3.996 -1.335 1.00 0.00 N ATOM 220 CA LEU A 16 -3.071 3.103 -1.150 1.00 0.00 C ATOM 221 C LEU A 16 -2.026 3.506 -2.183 1.00 0.00 C ATOM 222 O LEU A 16 -0.850 3.608 -1.897 1.00 0.00 O ATOM 223 CB LEU A 16 -3.489 1.648 -1.375 1.00 0.00 C ATOM 224 CG LEU A 16 -3.909 1.025 -0.043 1.00 0.00 C ATOM 225 CD1 LEU A 16 -5.122 0.120 -0.262 1.00 0.00 C ATOM 226 CD2 LEU A 16 -2.751 0.197 0.519 1.00 0.00 C ATOM 0 H LEU A 16 -5.074 3.550 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.671 3.193 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.314 1.601 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.663 1.084 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.168 1.815 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.421 -0.324 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.947 0.708 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.864 -0.671 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.049 -0.248 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.493 -0.593 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.886 0.841 0.676 1.00 0.00 H new ATOM 238 N GLU A 17 -2.462 3.755 -3.387 1.00 0.00 N ATOM 239 CA GLU A 17 -1.514 4.175 -4.452 1.00 0.00 C ATOM 240 C GLU A 17 -0.861 5.501 -4.051 1.00 0.00 C ATOM 241 O GLU A 17 0.293 5.746 -4.329 1.00 0.00 O ATOM 242 CB GLU A 17 -2.274 4.359 -5.769 1.00 0.00 C ATOM 243 CG GLU A 17 -2.227 3.060 -6.575 1.00 0.00 C ATOM 244 CD GLU A 17 -3.080 3.212 -7.836 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.871 4.139 -7.885 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.927 2.397 -8.732 1.00 0.00 O ATOM 0 H GLU A 17 -3.437 3.685 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.746 3.412 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.309 4.636 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.832 5.172 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.198 2.824 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.596 2.231 -5.971 1.00 0.00 H new ATOM 253 N ASN A 18 -1.601 6.364 -3.412 1.00 0.00 N ATOM 254 CA ASN A 18 -1.038 7.682 -2.999 1.00 0.00 C ATOM 255 C ASN A 18 -0.182 7.526 -1.735 1.00 0.00 C ATOM 256 O ASN A 18 0.635 8.371 -1.426 1.00 0.00 O ATOM 257 CB ASN A 18 -2.184 8.655 -2.715 1.00 0.00 C ATOM 258 CG ASN A 18 -2.923 8.969 -4.017 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.396 8.767 -5.092 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.132 9.459 -3.965 1.00 0.00 N ATOM 0 H ASN A 18 -2.577 6.213 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.412 8.066 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.872 8.221 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.795 9.573 -2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.633 9.672 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.575 9.629 -3.062 1.00 0.00 H new ATOM 267 N TYR A 19 -0.360 6.463 -0.998 1.00 0.00 N ATOM 268 CA TYR A 19 0.446 6.276 0.241 1.00 0.00 C ATOM 269 C TYR A 19 1.924 6.420 -0.104 1.00 0.00 C ATOM 270 O TYR A 19 2.617 7.271 0.419 1.00 0.00 O ATOM 271 CB TYR A 19 0.187 4.878 0.811 1.00 0.00 C ATOM 272 CG TYR A 19 1.199 4.568 1.890 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.487 4.137 1.545 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.847 4.709 3.237 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.420 3.848 2.548 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.780 4.421 4.239 1.00 0.00 C ATOM 277 CZ TYR A 19 3.066 3.991 3.895 1.00 0.00 C ATOM 278 OH TYR A 19 3.986 3.706 4.884 1.00 0.00 O ATOM 0 H TYR A 19 -1.027 5.718 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 19 0.166 7.025 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.822 4.823 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.250 4.134 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.760 4.028 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.146 5.040 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.413 3.515 2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.507 4.531 5.278 1.00 0.00 H new ATOM 0 HH TYR A 19 3.580 3.858 5.763 1.00 0.00 H new ATOM 288 N CYS A 20 2.399 5.596 -0.994 1.00 0.00 N ATOM 289 CA CYS A 20 3.834 5.663 -1.407 1.00 0.00 C ATOM 290 C CYS A 20 4.722 5.975 -0.200 1.00 0.00 C ATOM 291 O CYS A 20 4.332 5.800 0.936 1.00 0.00 O ATOM 292 CB CYS A 20 4.006 6.756 -2.463 1.00 0.00 C ATOM 293 SG CYS A 20 2.904 6.423 -3.860 1.00 0.00 S ATOM 0 H CYS A 20 1.852 4.871 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 20 4.129 4.699 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.780 7.732 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.041 6.789 -2.802 1.00 0.00 H new ATOM 298 N ASN A 21 5.918 6.434 -0.441 1.00 0.00 N ATOM 299 CA ASN A 21 6.834 6.756 0.688 1.00 0.00 C ATOM 300 C ASN A 21 7.866 7.789 0.230 1.00 0.00 C ATOM 301 O ASN A 21 8.973 7.389 -0.090 1.00 0.00 O ATOM 302 CB ASN A 21 7.553 5.483 1.140 1.00 0.00 C ATOM 303 CG ASN A 21 7.965 5.622 2.607 1.00 0.00 C ATOM 304 OD1 ASN A 21 7.166 5.999 3.441 1.00 0.00 O ATOM 305 ND2 ASN A 21 9.187 5.331 2.959 1.00 0.00 N ATOM 306 OXT ASN A 21 7.530 8.961 0.206 1.00 0.00 O ATOM 0 H ASN A 21 6.301 6.600 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 21 6.257 7.163 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.899 4.620 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.432 5.309 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.472 5.420 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.858 5.014 2.259 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -9.726 2.607 -8.808 1.00 0.00 N ATOM 315 CA PHE B 1 -10.910 1.893 -8.251 1.00 0.00 C ATOM 316 C PHE B 1 -10.936 0.458 -8.781 1.00 0.00 C ATOM 317 O PHE B 1 -11.920 0.009 -9.334 1.00 0.00 O ATOM 318 CB PHE B 1 -12.189 2.617 -8.674 1.00 0.00 C ATOM 319 CG PHE B 1 -12.672 3.489 -7.541 1.00 0.00 C ATOM 320 CD1 PHE B 1 -12.772 2.964 -6.247 1.00 0.00 C ATOM 321 CD2 PHE B 1 -13.021 4.823 -7.784 1.00 0.00 C ATOM 322 CE1 PHE B 1 -13.220 3.773 -5.196 1.00 0.00 C ATOM 323 CE2 PHE B 1 -13.469 5.632 -6.732 1.00 0.00 C ATOM 324 CZ PHE B 1 -13.569 5.107 -5.438 1.00 0.00 C ATOM 0 H1 PHE B 1 -9.708 3.583 -8.448 1.00 0.00 H new ATOM 0 H2 PHE B 1 -8.856 2.115 -8.519 1.00 0.00 H new ATOM 0 H3 PHE B 1 -9.786 2.622 -9.846 1.00 0.00 H new ATOM 0 HA PHE B 1 -10.846 1.877 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -12.000 3.224 -9.559 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -12.958 1.893 -8.943 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -12.504 1.935 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -12.945 5.228 -8.782 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -13.296 3.368 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -13.737 6.661 -6.919 1.00 0.00 H new ATOM 0 HZ PHE B 1 -13.915 5.731 -4.627 1.00 0.00 H new ATOM 336 N VAL B 2 -9.862 -0.265 -8.617 1.00 0.00 N ATOM 337 CA VAL B 2 -9.827 -1.670 -9.113 1.00 0.00 C ATOM 338 C VAL B 2 -8.807 -2.471 -8.302 1.00 0.00 C ATOM 339 O VAL B 2 -7.695 -2.697 -8.735 1.00 0.00 O ATOM 340 CB VAL B 2 -9.426 -1.680 -10.589 1.00 0.00 C ATOM 341 CG1 VAL B 2 -8.086 -0.962 -10.760 1.00 0.00 C ATOM 342 CG2 VAL B 2 -9.293 -3.127 -11.070 1.00 0.00 C ATOM 0 H VAL B 2 -9.008 0.056 -8.161 1.00 0.00 H new ATOM 0 HA VAL B 2 -10.814 -2.120 -9.002 1.00 0.00 H new ATOM 0 HB VAL B 2 -10.189 -1.169 -11.176 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -7.801 -0.970 -11.812 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -8.179 0.068 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -7.322 -1.473 -10.173 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -9.007 -3.136 -12.122 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -8.530 -3.637 -10.482 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -10.247 -3.640 -10.949 1.00 0.00 H new ATOM 352 N ASN B 3 -9.176 -2.903 -7.127 1.00 0.00 N ATOM 353 CA ASN B 3 -8.228 -3.689 -6.289 1.00 0.00 C ATOM 354 C ASN B 3 -8.957 -4.892 -5.687 1.00 0.00 C ATOM 355 O ASN B 3 -10.168 -4.982 -5.735 1.00 0.00 O ATOM 356 CB ASN B 3 -7.687 -2.805 -5.164 1.00 0.00 C ATOM 357 CG ASN B 3 -6.279 -3.266 -4.784 1.00 0.00 C ATOM 358 OD1 ASN B 3 -5.486 -3.604 -5.640 1.00 0.00 O ATOM 359 ND2 ASN B 3 -5.933 -3.294 -3.526 1.00 0.00 N ATOM 0 H ASN B 3 -10.094 -2.745 -6.711 1.00 0.00 H new ATOM 0 HA ASN B 3 -7.400 -4.037 -6.907 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -7.666 -1.763 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -8.345 -2.859 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -4.997 -3.600 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -6.599 -3.010 -2.807 1.00 0.00 H new ATOM 366 N GLN B 4 -8.232 -5.817 -5.120 1.00 0.00 N ATOM 367 CA GLN B 4 -8.889 -7.010 -4.516 1.00 0.00 C ATOM 368 C GLN B 4 -7.928 -7.683 -3.535 1.00 0.00 C ATOM 369 O GLN B 4 -7.825 -8.892 -3.483 1.00 0.00 O ATOM 370 CB GLN B 4 -9.267 -7.999 -5.621 1.00 0.00 C ATOM 371 CG GLN B 4 -10.574 -8.703 -5.251 1.00 0.00 C ATOM 372 CD GLN B 4 -11.288 -9.159 -6.525 1.00 0.00 C ATOM 373 OE1 GLN B 4 -11.680 -8.347 -7.339 1.00 0.00 O ATOM 374 NE2 GLN B 4 -11.474 -10.433 -6.733 1.00 0.00 N ATOM 0 H GLN B 4 -7.215 -5.798 -5.049 1.00 0.00 H new ATOM 0 HA GLN B 4 -9.788 -6.698 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -9.380 -7.475 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -8.472 -8.732 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -10.369 -9.560 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -11.215 -8.028 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -11.145 -11.115 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -11.949 -10.748 -7.579 1.00 0.00 H new ATOM 383 N HIS B 5 -7.226 -6.909 -2.754 1.00 0.00 N ATOM 384 CA HIS B 5 -6.275 -7.506 -1.773 1.00 0.00 C ATOM 385 C HIS B 5 -7.022 -8.499 -0.877 1.00 0.00 C ATOM 386 O HIS B 5 -8.133 -8.896 -1.169 1.00 0.00 O ATOM 387 CB HIS B 5 -5.675 -6.399 -0.907 1.00 0.00 C ATOM 388 CG HIS B 5 -6.787 -5.646 -0.239 1.00 0.00 C ATOM 389 ND1 HIS B 5 -7.316 -5.720 1.026 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 -7.526 -4.683 -0.903 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 -8.369 -4.819 1.144 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 -8.452 -4.223 -0.048 1.00 0.00 N flip ATOM 0 H HIS B 5 -7.269 -5.890 -2.752 1.00 0.00 H new ATOM 0 HA HIS B 5 -5.479 -8.023 -2.309 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -5.007 -6.826 -0.159 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -5.078 -5.724 -1.519 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -6.987 -6.341 1.766 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -7.383 -4.360 -1.924 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -8.986 -4.640 2.012 1.00 0.00 H new ATOM 400 N LEU B 6 -6.424 -8.905 0.212 1.00 0.00 N ATOM 401 CA LEU B 6 -7.107 -9.874 1.118 1.00 0.00 C ATOM 402 C LEU B 6 -6.998 -9.404 2.575 1.00 0.00 C ATOM 403 O LEU B 6 -7.544 -10.015 3.471 1.00 0.00 O ATOM 404 CB LEU B 6 -6.453 -11.250 0.979 1.00 0.00 C ATOM 405 CG LEU B 6 -7.132 -12.026 -0.151 1.00 0.00 C ATOM 406 CD1 LEU B 6 -6.553 -11.583 -1.495 1.00 0.00 C ATOM 407 CD2 LEU B 6 -6.884 -13.524 0.041 1.00 0.00 C ATOM 0 H LEU B 6 -5.495 -8.609 0.512 1.00 0.00 H new ATOM 0 HA LEU B 6 -8.160 -9.936 0.841 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -5.389 -11.139 0.770 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -6.538 -11.801 1.915 1.00 0.00 H new ATOM 0 HG LEU B 6 -8.204 -11.828 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -7.037 -12.136 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -6.727 -10.516 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -5.481 -11.781 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -7.367 -14.079 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -5.812 -13.720 0.024 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -7.296 -13.841 0.999 1.00 0.00 H new ATOM 419 N CYS B 7 -6.296 -8.330 2.822 1.00 0.00 N ATOM 420 CA CYS B 7 -6.157 -7.834 4.221 1.00 0.00 C ATOM 421 C CYS B 7 -5.375 -8.856 5.047 1.00 0.00 C ATOM 422 O CYS B 7 -5.902 -9.867 5.467 1.00 0.00 O ATOM 423 CB CYS B 7 -7.541 -7.628 4.838 1.00 0.00 C ATOM 424 SG CYS B 7 -7.359 -6.906 6.488 1.00 0.00 S ATOM 0 H CYS B 7 -5.813 -7.775 2.115 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.623 -6.884 4.215 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -8.140 -6.972 4.206 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -8.069 -8.579 4.901 1.00 0.00 H new ATOM 429 N GLY B 8 -4.120 -8.597 5.278 1.00 0.00 N ATOM 430 CA GLY B 8 -3.292 -9.548 6.074 1.00 0.00 C ATOM 431 C GLY B 8 -2.093 -10.000 5.237 1.00 0.00 C ATOM 432 O GLY B 8 -1.397 -10.934 5.582 1.00 0.00 O ATOM 0 H GLY B 8 -3.629 -7.766 4.950 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.950 -9.070 6.992 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.890 -10.410 6.368 1.00 0.00 H new ATOM 436 N SER B 9 -1.852 -9.341 4.137 1.00 0.00 N ATOM 437 CA SER B 9 -0.706 -9.721 3.266 1.00 0.00 C ATOM 438 C SER B 9 -0.918 -9.109 1.882 1.00 0.00 C ATOM 439 O SER B 9 -0.085 -8.384 1.376 1.00 0.00 O ATOM 440 CB SER B 9 -0.633 -11.244 3.147 1.00 0.00 C ATOM 441 OG SER B 9 -0.065 -11.590 1.891 1.00 0.00 O ATOM 0 H SER B 9 -2.404 -8.551 3.803 1.00 0.00 H new ATOM 0 HA SER B 9 0.225 -9.353 3.697 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.031 -11.655 3.957 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.630 -11.676 3.240 1.00 0.00 H new ATOM 0 HG SER B 9 -0.015 -12.566 1.812 1.00 0.00 H new ATOM 447 N HIS B 10 -2.034 -9.393 1.269 1.00 0.00 N ATOM 448 CA HIS B 10 -2.312 -8.828 -0.076 1.00 0.00 C ATOM 449 C HIS B 10 -2.571 -7.324 0.045 1.00 0.00 C ATOM 450 O HIS B 10 -2.168 -6.546 -0.797 1.00 0.00 O ATOM 451 CB HIS B 10 -3.545 -9.510 -0.670 1.00 0.00 C ATOM 452 CG HIS B 10 -3.114 -10.674 -1.520 1.00 0.00 C ATOM 453 ND1 HIS B 10 -2.602 -11.839 -0.972 1.00 0.00 N ATOM 454 CD2 HIS B 10 -3.112 -10.866 -2.879 1.00 0.00 C ATOM 455 CE1 HIS B 10 -2.315 -12.673 -1.989 1.00 0.00 C ATOM 456 NE2 HIS B 10 -2.607 -12.129 -3.173 1.00 0.00 N ATOM 0 H HIS B 10 -2.767 -9.995 1.646 1.00 0.00 H new ATOM 0 HA HIS B 10 -1.453 -8.998 -0.725 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.204 -9.853 0.128 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -4.114 -8.799 -1.269 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -3.451 -10.146 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -1.899 -13.662 -1.863 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -2.486 -12.549 -4.095 1.00 0.00 H new ATOM 464 N LEU B 11 -3.245 -6.907 1.084 1.00 0.00 N ATOM 465 CA LEU B 11 -3.530 -5.454 1.250 1.00 0.00 C ATOM 466 C LEU B 11 -2.212 -4.689 1.361 1.00 0.00 C ATOM 467 O LEU B 11 -2.014 -3.679 0.715 1.00 0.00 O ATOM 468 CB LEU B 11 -4.360 -5.232 2.516 1.00 0.00 C ATOM 469 CG LEU B 11 -5.152 -3.930 2.383 1.00 0.00 C ATOM 470 CD1 LEU B 11 -5.987 -3.706 3.646 1.00 0.00 C ATOM 471 CD2 LEU B 11 -4.183 -2.760 2.202 1.00 0.00 C ATOM 0 H LEU B 11 -3.609 -7.509 1.823 1.00 0.00 H new ATOM 0 HA LEU B 11 -4.090 -5.093 0.387 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -5.040 -6.070 2.670 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.708 -5.186 3.388 1.00 0.00 H new ATOM 0 HG LEU B 11 -5.812 -3.995 1.518 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -6.551 -2.778 3.550 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -6.678 -4.538 3.778 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -5.328 -3.642 4.512 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.747 -1.832 2.107 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.523 -2.697 3.067 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.588 -2.916 1.302 1.00 0.00 H new ATOM 483 N VAL B 12 -1.303 -5.166 2.166 1.00 0.00 N ATOM 484 CA VAL B 12 0.003 -4.467 2.300 1.00 0.00 C ATOM 485 C VAL B 12 0.785 -4.650 1.004 1.00 0.00 C ATOM 486 O VAL B 12 1.352 -3.717 0.470 1.00 0.00 O ATOM 487 CB VAL B 12 0.788 -5.061 3.471 1.00 0.00 C ATOM 488 CG1 VAL B 12 1.114 -6.527 3.179 1.00 0.00 C ATOM 489 CG2 VAL B 12 2.089 -4.279 3.662 1.00 0.00 C ATOM 0 H VAL B 12 -1.409 -6.006 2.734 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.158 -3.406 2.489 1.00 0.00 H new ATOM 0 HB VAL B 12 0.187 -4.997 4.378 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.673 -6.949 4.014 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.188 -7.086 3.043 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.713 -6.593 2.271 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.649 -4.702 4.496 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.688 -4.342 2.754 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.858 -3.235 3.872 1.00 0.00 H new ATOM 499 N GLU B 13 0.801 -5.843 0.480 1.00 0.00 N ATOM 500 CA GLU B 13 1.523 -6.079 -0.796 1.00 0.00 C ATOM 501 C GLU B 13 0.987 -5.098 -1.837 1.00 0.00 C ATOM 502 O GLU B 13 1.687 -4.686 -2.740 1.00 0.00 O ATOM 503 CB GLU B 13 1.283 -7.514 -1.268 1.00 0.00 C ATOM 504 CG GLU B 13 2.202 -7.823 -2.452 1.00 0.00 C ATOM 505 CD GLU B 13 1.445 -8.665 -3.480 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.238 -8.782 -3.348 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.085 -9.180 -4.382 1.00 0.00 O ATOM 0 H GLU B 13 0.345 -6.663 0.881 1.00 0.00 H new ATOM 0 HA GLU B 13 2.594 -5.931 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.474 -8.213 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.241 -7.642 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.548 -6.896 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.087 -8.358 -2.109 1.00 0.00 H new ATOM 514 N ALA B 14 -0.257 -4.719 -1.710 1.00 0.00 N ATOM 515 CA ALA B 14 -0.849 -3.764 -2.683 1.00 0.00 C ATOM 516 C ALA B 14 -0.154 -2.412 -2.541 1.00 0.00 C ATOM 517 O ALA B 14 0.246 -1.803 -3.511 1.00 0.00 O ATOM 518 CB ALA B 14 -2.344 -3.604 -2.400 1.00 0.00 C ATOM 0 H ALA B 14 -0.887 -5.032 -0.972 1.00 0.00 H new ATOM 0 HA ALA B 14 -0.715 -4.142 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.777 -2.903 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.838 -4.571 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.484 -3.223 -1.388 1.00 0.00 H new ATOM 524 N LEU B 15 0.006 -1.947 -1.335 1.00 0.00 N ATOM 525 CA LEU B 15 0.691 -0.641 -1.129 1.00 0.00 C ATOM 526 C LEU B 15 2.124 -0.761 -1.636 1.00 0.00 C ATOM 527 O LEU B 15 2.680 0.162 -2.194 1.00 0.00 O ATOM 528 CB LEU B 15 0.687 -0.280 0.361 1.00 0.00 C ATOM 529 CG LEU B 15 1.374 1.075 0.584 1.00 0.00 C ATOM 530 CD1 LEU B 15 2.888 0.881 0.641 1.00 0.00 C ATOM 531 CD2 LEU B 15 1.033 2.034 -0.559 1.00 0.00 C ATOM 0 H LEU B 15 -0.307 -2.413 -0.484 1.00 0.00 H new ATOM 0 HA LEU B 15 0.170 0.145 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.338 -0.241 0.730 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.201 -1.054 0.931 1.00 0.00 H new ATOM 0 HG LEU B 15 1.021 1.497 1.525 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.373 1.844 0.799 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.138 0.210 1.462 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.235 0.450 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.526 2.991 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.376 1.611 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.046 2.183 -0.599 1.00 0.00 H new ATOM 543 N TYR B 16 2.723 -1.900 -1.467 1.00 0.00 N ATOM 544 CA TYR B 16 4.103 -2.075 -1.975 1.00 0.00 C ATOM 545 C TYR B 16 4.039 -2.033 -3.500 1.00 0.00 C ATOM 546 O TYR B 16 4.797 -1.344 -4.154 1.00 0.00 O ATOM 547 CB TYR B 16 4.658 -3.427 -1.521 1.00 0.00 C ATOM 548 CG TYR B 16 4.664 -3.495 -0.012 1.00 0.00 C ATOM 549 CD1 TYR B 16 4.770 -2.321 0.744 1.00 0.00 C ATOM 550 CD2 TYR B 16 4.565 -4.734 0.632 1.00 0.00 C ATOM 551 CE1 TYR B 16 4.777 -2.386 2.142 1.00 0.00 C ATOM 552 CE2 TYR B 16 4.572 -4.800 2.030 1.00 0.00 C ATOM 553 CZ TYR B 16 4.679 -3.626 2.785 1.00 0.00 C ATOM 554 OH TYR B 16 4.686 -3.691 4.164 1.00 0.00 O ATOM 0 H TYR B 16 2.319 -2.713 -1.002 1.00 0.00 H new ATOM 0 HA TYR B 16 4.754 -1.289 -1.592 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.051 -4.235 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.669 -3.563 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.846 -1.365 0.248 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.483 -5.640 0.050 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.858 -1.480 2.725 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.495 -5.756 2.526 1.00 0.00 H new ATOM 0 HH TYR B 16 4.295 -2.871 4.532 1.00 0.00 H new ATOM 564 N LEU B 17 3.126 -2.775 -4.063 1.00 0.00 N ATOM 565 CA LEU B 17 2.979 -2.805 -5.545 1.00 0.00 C ATOM 566 C LEU B 17 2.426 -1.477 -6.071 1.00 0.00 C ATOM 567 O LEU B 17 2.889 -0.962 -7.069 1.00 0.00 O ATOM 568 CB LEU B 17 2.039 -3.945 -5.943 1.00 0.00 C ATOM 569 CG LEU B 17 2.558 -4.613 -7.217 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.079 -6.065 -7.264 1.00 0.00 C ATOM 571 CD2 LEU B 17 2.026 -3.861 -8.439 1.00 0.00 C ATOM 0 H LEU B 17 2.469 -3.367 -3.555 1.00 0.00 H new ATOM 0 HA LEU B 17 3.964 -2.965 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.975 -4.676 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.032 -3.560 -6.106 1.00 0.00 H new ATOM 0 HG LEU B 17 3.648 -4.590 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.449 -6.541 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.457 -6.601 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.989 -6.089 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.395 -4.336 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.936 -3.884 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.367 -2.826 -8.406 1.00 0.00 H new ATOM 583 N VAL B 18 1.438 -0.916 -5.426 1.00 0.00 N ATOM 584 CA VAL B 18 0.881 0.373 -5.933 1.00 0.00 C ATOM 585 C VAL B 18 2.026 1.374 -6.028 1.00 0.00 C ATOM 586 O VAL B 18 2.199 2.051 -7.022 1.00 0.00 O ATOM 587 CB VAL B 18 -0.195 0.915 -4.981 1.00 0.00 C ATOM 588 CG1 VAL B 18 -1.276 -0.138 -4.732 1.00 0.00 C ATOM 589 CG2 VAL B 18 0.450 1.298 -3.657 1.00 0.00 C ATOM 0 H VAL B 18 0.998 -1.286 -4.584 1.00 0.00 H new ATOM 0 HA VAL B 18 0.421 0.214 -6.908 1.00 0.00 H new ATOM 0 HB VAL B 18 -0.658 1.790 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.029 0.266 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -1.746 -0.408 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.825 -1.024 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.312 1.683 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.920 0.420 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL B 18 1.205 2.066 -3.828 1.00 0.00 H new ATOM 599 N CYS B 19 2.820 1.450 -5.004 1.00 0.00 N ATOM 600 CA CYS B 19 3.980 2.381 -5.018 1.00 0.00 C ATOM 601 C CYS B 19 4.681 2.289 -3.670 1.00 0.00 C ATOM 602 O CYS B 19 5.184 3.264 -3.147 1.00 0.00 O ATOM 603 CB CYS B 19 3.505 3.815 -5.263 1.00 0.00 C ATOM 604 SG CYS B 19 2.617 4.422 -3.810 1.00 0.00 S ATOM 0 H CYS B 19 2.716 0.903 -4.149 1.00 0.00 H new ATOM 0 HA CYS B 19 4.667 2.108 -5.819 1.00 0.00 H new ATOM 0 HB2 CYS B 19 4.358 4.459 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.856 3.848 -6.138 1.00 0.00 H new ATOM 609 N GLY B 20 4.712 1.117 -3.100 1.00 0.00 N ATOM 610 CA GLY B 20 5.376 0.956 -1.777 1.00 0.00 C ATOM 611 C GLY B 20 6.614 0.074 -1.935 1.00 0.00 C ATOM 612 O GLY B 20 7.040 -0.589 -1.010 1.00 0.00 O ATOM 0 H GLY B 20 4.308 0.266 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.658 1.930 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.685 0.508 -1.063 1.00 0.00 H new ATOM 616 N GLU B 21 7.196 0.064 -3.102 1.00 0.00 N ATOM 617 CA GLU B 21 8.410 -0.768 -3.327 1.00 0.00 C ATOM 618 C GLU B 21 9.583 0.148 -3.673 1.00 0.00 C ATOM 619 O GLU B 21 10.730 -0.173 -3.431 1.00 0.00 O ATOM 620 CB GLU B 21 8.159 -1.738 -4.484 1.00 0.00 C ATOM 621 CG GLU B 21 8.765 -3.102 -4.149 1.00 0.00 C ATOM 622 CD GLU B 21 8.188 -4.163 -5.088 1.00 0.00 C ATOM 623 OE1 GLU B 21 8.333 -4.005 -6.289 1.00 0.00 O ATOM 624 OE2 GLU B 21 7.610 -5.115 -4.590 1.00 0.00 O ATOM 0 H GLU B 21 6.882 0.598 -3.912 1.00 0.00 H new ATOM 0 HA GLU B 21 8.640 -1.337 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.088 -1.838 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.600 -1.348 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.850 -3.064 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.550 -3.363 -3.113 1.00 0.00 H new ATOM 631 N ARG B 22 9.303 1.291 -4.238 1.00 0.00 N ATOM 632 CA ARG B 22 10.393 2.233 -4.599 1.00 0.00 C ATOM 633 C ARG B 22 10.796 3.038 -3.365 1.00 0.00 C ATOM 634 O ARG B 22 11.958 3.126 -3.019 1.00 0.00 O ATOM 635 CB ARG B 22 9.906 3.184 -5.695 1.00 0.00 C ATOM 636 CG ARG B 22 10.262 2.607 -7.067 1.00 0.00 C ATOM 637 CD ARG B 22 11.071 3.636 -7.859 1.00 0.00 C ATOM 638 NE ARG B 22 12.186 4.149 -7.014 1.00 0.00 N ATOM 639 CZ ARG B 22 12.849 5.211 -7.384 1.00 0.00 C ATOM 640 NH1 ARG B 22 13.315 5.299 -8.600 1.00 0.00 N ATOM 641 NH2 ARG B 22 13.047 6.184 -6.538 1.00 0.00 N ATOM 0 H ARG B 22 8.362 1.611 -4.465 1.00 0.00 H new ATOM 0 HA ARG B 22 11.253 1.672 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.828 3.325 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG B 22 10.365 4.165 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.838 1.689 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.354 2.346 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.468 3.182 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.428 4.459 -8.170 1.00 0.00 H new ATOM 0 HE ARG B 22 12.431 3.671 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG B 22 13.161 4.538 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG B 22 13.833 6.129 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG B 22 12.684 6.115 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG B 22 13.565 7.014 -6.827 1.00 0.00 H new ATOM 655 N GLY B 23 9.843 3.623 -2.698 1.00 0.00 N ATOM 656 CA GLY B 23 10.164 4.422 -1.482 1.00 0.00 C ATOM 657 C GLY B 23 10.123 3.514 -0.251 1.00 0.00 C ATOM 658 O GLY B 23 10.002 3.972 0.867 1.00 0.00 O ATOM 0 H GLY B 23 8.853 3.583 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY B 23 11.151 4.875 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY B 23 9.449 5.237 -1.370 1.00 0.00 H new ATOM 662 N PHE B 24 10.223 2.228 -0.450 1.00 0.00 N ATOM 663 CA PHE B 24 10.188 1.289 0.707 1.00 0.00 C ATOM 664 C PHE B 24 11.563 0.640 0.880 1.00 0.00 C ATOM 665 O PHE B 24 11.723 -0.311 1.618 1.00 0.00 O ATOM 666 CB PHE B 24 9.142 0.204 0.449 1.00 0.00 C ATOM 667 CG PHE B 24 7.851 0.572 1.141 1.00 0.00 C ATOM 668 CD1 PHE B 24 6.985 1.506 0.560 1.00 0.00 C ATOM 669 CD2 PHE B 24 7.521 -0.019 2.367 1.00 0.00 C ATOM 670 CE1 PHE B 24 5.790 1.849 1.204 1.00 0.00 C ATOM 671 CE2 PHE B 24 6.326 0.323 3.010 1.00 0.00 C ATOM 672 CZ PHE B 24 5.461 1.257 2.429 1.00 0.00 C ATOM 0 H PHE B 24 10.327 1.787 -1.364 1.00 0.00 H new ATOM 0 HA PHE B 24 9.929 1.837 1.613 1.00 0.00 H new ATOM 0 HB2 PHE B 24 8.974 0.094 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE B 24 9.502 -0.757 0.816 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.239 1.962 -0.385 1.00 0.00 H new ATOM 0 HD2 PHE B 24 8.189 -0.739 2.816 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.122 2.570 0.756 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.071 -0.134 3.955 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.539 1.521 2.926 1.00 0.00 H new ATOM 682 N PHE B 25 12.558 1.147 0.204 1.00 0.00 N ATOM 683 CA PHE B 25 13.921 0.557 0.330 1.00 0.00 C ATOM 684 C PHE B 25 14.732 1.360 1.349 1.00 0.00 C ATOM 685 O PHE B 25 14.365 2.456 1.723 1.00 0.00 O ATOM 686 CB PHE B 25 14.622 0.599 -1.029 1.00 0.00 C ATOM 687 CG PHE B 25 14.578 -0.772 -1.661 1.00 0.00 C ATOM 688 CD1 PHE B 25 15.276 -1.835 -1.077 1.00 0.00 C ATOM 689 CD2 PHE B 25 13.837 -0.980 -2.831 1.00 0.00 C ATOM 690 CE1 PHE B 25 15.235 -3.106 -1.662 1.00 0.00 C ATOM 691 CE2 PHE B 25 13.796 -2.251 -3.417 1.00 0.00 C ATOM 692 CZ PHE B 25 14.495 -3.314 -2.832 1.00 0.00 C ATOM 0 H PHE B 25 12.486 1.943 -0.429 1.00 0.00 H new ATOM 0 HA PHE B 25 13.840 -0.477 0.665 1.00 0.00 H new ATOM 0 HB2 PHE B 25 14.135 1.326 -1.679 1.00 0.00 H new ATOM 0 HB3 PHE B 25 15.656 0.922 -0.907 1.00 0.00 H new ATOM 0 HD1 PHE B 25 15.847 -1.675 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE B 25 13.297 -0.160 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE B 25 15.774 -3.926 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE B 25 13.225 -2.411 -4.320 1.00 0.00 H new ATOM 0 HZ PHE B 25 14.463 -4.295 -3.284 1.00 0.00 H new ATOM 702 N TYR B 26 15.832 0.824 1.801 1.00 0.00 N ATOM 703 CA TYR B 26 16.665 1.558 2.795 1.00 0.00 C ATOM 704 C TYR B 26 18.066 1.787 2.220 1.00 0.00 C ATOM 705 O TYR B 26 18.560 0.980 1.456 1.00 0.00 O ATOM 706 CB TYR B 26 16.770 0.733 4.080 1.00 0.00 C ATOM 707 CG TYR B 26 15.447 0.761 4.806 1.00 0.00 C ATOM 708 CD1 TYR B 26 14.375 -0.008 4.337 1.00 0.00 C ATOM 709 CD2 TYR B 26 15.292 1.554 5.949 1.00 0.00 C ATOM 710 CE1 TYR B 26 13.148 0.017 5.011 1.00 0.00 C ATOM 711 CE2 TYR B 26 14.065 1.579 6.623 1.00 0.00 C ATOM 712 CZ TYR B 26 12.993 0.811 6.154 1.00 0.00 C ATOM 713 OH TYR B 26 11.784 0.835 6.818 1.00 0.00 O ATOM 0 H TYR B 26 16.190 -0.090 1.525 1.00 0.00 H new ATOM 0 HA TYR B 26 16.202 2.520 3.016 1.00 0.00 H new ATOM 0 HB2 TYR B 26 17.045 -0.295 3.843 1.00 0.00 H new ATOM 0 HB3 TYR B 26 17.556 1.135 4.719 1.00 0.00 H new ATOM 0 HD1 TYR B 26 14.495 -0.620 3.455 1.00 0.00 H new ATOM 0 HD2 TYR B 26 16.119 2.147 6.311 1.00 0.00 H new ATOM 0 HE1 TYR B 26 12.321 -0.576 4.649 1.00 0.00 H new ATOM 0 HE2 TYR B 26 13.946 2.191 7.505 1.00 0.00 H new ATOM 0 HH TYR B 26 11.847 1.435 7.590 1.00 0.00 H new ATOM 723 N PRO B 27 18.664 2.885 2.606 1.00 0.00 N ATOM 724 CA PRO B 27 20.014 3.258 2.149 1.00 0.00 C ATOM 725 C PRO B 27 21.076 2.461 2.912 1.00 0.00 C ATOM 726 O PRO B 27 20.834 1.964 3.994 1.00 0.00 O ATOM 727 CB PRO B 27 20.106 4.749 2.483 1.00 0.00 C ATOM 728 CG PRO B 27 19.067 5.011 3.600 1.00 0.00 C ATOM 729 CD PRO B 27 18.050 3.856 3.535 1.00 0.00 C ATOM 0 HA PRO B 27 20.182 3.052 1.092 1.00 0.00 H new ATOM 0 HB2 PRO B 27 21.110 5.011 2.817 1.00 0.00 H new ATOM 0 HB3 PRO B 27 19.893 5.358 1.604 1.00 0.00 H new ATOM 0 HG2 PRO B 27 19.549 5.048 4.577 1.00 0.00 H new ATOM 0 HG3 PRO B 27 18.573 5.971 3.452 1.00 0.00 H new ATOM 0 HD2 PRO B 27 17.883 3.416 4.518 1.00 0.00 H new ATOM 0 HD3 PRO B 27 17.081 4.198 3.171 1.00 0.00 H new ATOM 737 N THR B 28 22.250 2.337 2.357 1.00 0.00 N ATOM 738 CA THR B 28 23.325 1.573 3.052 1.00 0.00 C ATOM 739 C THR B 28 24.288 2.551 3.728 1.00 0.00 C ATOM 740 O THR B 28 25.479 2.532 3.487 1.00 0.00 O ATOM 741 CB THR B 28 24.090 0.726 2.032 1.00 0.00 C ATOM 742 OG1 THR B 28 24.720 1.581 1.087 1.00 0.00 O ATOM 743 CG2 THR B 28 23.119 -0.208 1.311 1.00 0.00 C ATOM 0 H THR B 28 22.512 2.731 1.453 1.00 0.00 H new ATOM 0 HA THR B 28 22.881 0.921 3.804 1.00 0.00 H new ATOM 0 HB THR B 28 24.846 0.132 2.546 1.00 0.00 H new ATOM 0 HG1 THR B 28 25.419 2.103 1.533 1.00 0.00 H new ATOM 0 HG21 THR B 28 23.665 -0.810 0.585 1.00 0.00 H new ATOM 0 HG22 THR B 28 22.637 -0.863 2.037 1.00 0.00 H new ATOM 0 HG23 THR B 28 22.361 0.382 0.796 1.00 0.00 H new ATOM 751 N LYS B 29 23.782 3.407 4.574 1.00 0.00 N ATOM 752 CA LYS B 29 24.669 4.385 5.264 1.00 0.00 C ATOM 753 C LYS B 29 25.225 3.756 6.544 1.00 0.00 C ATOM 754 O LYS B 29 24.486 3.311 7.400 1.00 0.00 O ATOM 755 CB LYS B 29 23.865 5.638 5.620 1.00 0.00 C ATOM 756 CG LYS B 29 24.514 6.862 4.971 1.00 0.00 C ATOM 757 CD LYS B 29 25.889 7.103 5.595 1.00 0.00 C ATOM 758 CE LYS B 29 25.853 8.384 6.431 1.00 0.00 C ATOM 759 NZ LYS B 29 25.943 8.036 7.877 1.00 0.00 N ATOM 0 H LYS B 29 22.793 3.471 4.817 1.00 0.00 H new ATOM 0 HA LYS B 29 25.494 4.656 4.605 1.00 0.00 H new ATOM 0 HB2 LYS B 29 22.836 5.533 5.275 1.00 0.00 H new ATOM 0 HB3 LYS B 29 23.828 5.764 6.702 1.00 0.00 H new ATOM 0 HG2 LYS B 29 24.613 6.707 3.897 1.00 0.00 H new ATOM 0 HG3 LYS B 29 23.881 7.739 5.110 1.00 0.00 H new ATOM 0 HD2 LYS B 29 26.170 6.256 6.221 1.00 0.00 H new ATOM 0 HD3 LYS B 29 26.645 7.187 4.814 1.00 0.00 H new ATOM 0 HE2 LYS B 29 26.680 9.037 6.151 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.932 8.933 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 25.919 8.906 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 25.140 7.429 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 26.833 7.529 8.057 1.00 0.00 H new ATOM 773 N THR B 30 26.522 3.717 6.681 1.00 0.00 N ATOM 774 CA THR B 30 27.124 3.117 7.904 1.00 0.00 C ATOM 775 C THR B 30 28.249 4.019 8.415 1.00 0.00 C ATOM 776 O THR B 30 28.917 3.624 9.356 1.00 0.00 O ATOM 777 CB THR B 30 27.690 1.735 7.569 1.00 0.00 C ATOM 778 OG1 THR B 30 28.723 1.870 6.603 1.00 0.00 O ATOM 779 CG2 THR B 30 26.577 0.847 7.010 1.00 0.00 C ATOM 780 OXT THR B 30 28.423 5.089 7.856 1.00 0.00 O ATOM 0 H THR B 30 27.190 4.075 5.999 1.00 0.00 H new ATOM 0 HA THR B 30 26.359 3.019 8.674 1.00 0.00 H new ATOM 0 HB THR B 30 28.095 1.279 8.472 1.00 0.00 H new ATOM 0 HG1 THR B 30 29.088 0.986 6.389 1.00 0.00 H new ATOM 0 HG21 THR B 30 26.981 -0.137 6.772 1.00 0.00 H new ATOM 0 HG22 THR B 30 25.786 0.744 7.753 1.00 0.00 H new ATOM 0 HG23 THR B 30 26.169 1.300 6.106 1.00 0.00 H new TER 788 THR B 30