USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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 NoAdj-H: A 2 IIL H2 : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -9:sc= 0.602 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.779 K(o=-0.78,f=-2.3) USER MOD Single : B 1 PHE N :NH3+ -179:sc= 0 (180deg=-0.00221) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.693 F(o=-1.3,f=-0.69) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 108:sc= 0.0836 USER MOD Single : B 27 THR OG1 : rot 120:sc= -1.92 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -6:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.972 1.681 -0.326 1.00 0.00 N ATOM 2 CA GLY A 1 -5.988 2.842 -0.198 1.00 0.00 C ATOM 3 C GLY A 1 -4.673 2.768 -0.896 1.00 0.00 C ATOM 4 O GLY A 1 -3.630 2.921 -0.293 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.832 1.893 0.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.220 1.545 -1.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.534 0.813 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.495 3.740 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.787 2.985 0.864 1.00 0.00 H new HETATM 10 N IIL A 2 -4.685 2.531 -2.179 1.00 0.00 N HETATM 11 CA IIL A 2 -3.404 2.445 -2.935 1.00 0.00 C HETATM 12 C IIL A 2 -3.527 3.235 -4.238 1.00 0.00 C HETATM 13 O IIL A 2 -2.630 3.956 -4.627 1.00 0.00 O HETATM 14 CB IIL A 2 -3.098 0.979 -3.254 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.871 0.903 -4.164 1.00 0.00 C HETATM 16 CG1 IIL A 2 -4.301 0.352 -3.963 1.00 0.00 C HETATM 17 CD1 IIL A 2 -4.279 -1.165 -3.761 1.00 0.00 C HETATM 0 HG23 IIL A 2 -2.071 1.443 -5.090 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -1.015 1.352 -3.659 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.651 -0.140 -4.392 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -5.227 0.769 -3.568 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -4.273 0.588 -5.027 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -3.358 -1.574 -4.177 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -4.327 -1.391 -2.696 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -5.136 -1.612 -4.266 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.898 0.437 -2.330 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.597 2.862 -2.332 1.00 0.00 H new HETATM 0 H IIL A 2 -5.468 3.063 -2.560 1.00 0.00 H new ATOM 29 N VAL A 3 -4.632 3.103 -4.918 1.00 0.00 N ATOM 30 CA VAL A 3 -4.816 3.843 -6.199 1.00 0.00 C ATOM 31 C VAL A 3 -4.720 5.348 -5.946 1.00 0.00 C ATOM 32 O VAL A 3 -4.053 6.065 -6.663 1.00 0.00 O ATOM 33 CB VAL A 3 -6.187 3.510 -6.784 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.405 4.314 -8.066 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.249 2.017 -7.106 1.00 0.00 C ATOM 0 H VAL A 3 -5.417 2.514 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.037 3.548 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.963 3.763 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.384 4.076 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.356 5.379 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.631 4.061 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.226 1.775 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.473 1.768 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.092 1.441 -6.194 1.00 0.00 H new ATOM 45 N GLU A 4 -5.379 5.836 -4.930 1.00 0.00 N ATOM 46 CA GLU A 4 -5.321 7.296 -4.639 1.00 0.00 C ATOM 47 C GLU A 4 -4.041 7.614 -3.861 1.00 0.00 C ATOM 48 O GLU A 4 -3.854 8.714 -3.384 1.00 0.00 O ATOM 49 CB GLU A 4 -6.537 7.701 -3.800 1.00 0.00 C ATOM 50 CG GLU A 4 -7.811 7.148 -4.442 1.00 0.00 C ATOM 51 CD GLU A 4 -8.191 8.007 -5.650 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.965 9.204 -5.597 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.705 7.452 -6.608 1.00 0.00 O ATOM 0 H GLU A 4 -5.954 5.287 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.324 7.850 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.434 7.319 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.596 8.787 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.655 6.115 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.624 7.144 -3.716 1.00 0.00 H new ATOM 60 N GLN A 5 -3.160 6.659 -3.727 1.00 0.00 N ATOM 61 CA GLN A 5 -1.899 6.917 -2.976 1.00 0.00 C ATOM 62 C GLN A 5 -0.730 7.057 -3.959 1.00 0.00 C ATOM 63 O GLN A 5 -0.161 8.121 -4.106 1.00 0.00 O ATOM 64 CB GLN A 5 -1.635 5.755 -2.011 1.00 0.00 C ATOM 65 CG GLN A 5 -0.189 5.816 -1.510 1.00 0.00 C ATOM 66 CD GLN A 5 -0.131 5.327 -0.063 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.730 4.326 0.277 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.571 5.995 0.811 1.00 0.00 N ATOM 0 H GLN A 5 -3.259 5.716 -4.103 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.996 7.842 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.324 5.806 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.816 4.805 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.452 5.199 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.187 6.837 -1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.074 6.835 0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.617 5.677 1.779 1.00 0.00 H new ATOM 77 N CYS A 6 -0.364 6.001 -4.638 1.00 0.00 N ATOM 78 CA CYS A 6 0.767 6.100 -5.604 1.00 0.00 C ATOM 79 C CYS A 6 0.322 6.913 -6.820 1.00 0.00 C ATOM 80 O CYS A 6 1.126 7.304 -7.644 1.00 0.00 O ATOM 81 CB CYS A 6 1.192 4.703 -6.055 1.00 0.00 C ATOM 82 SG CYS A 6 1.629 3.705 -4.608 1.00 0.00 S ATOM 0 H CYS A 6 -0.797 5.080 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 6 1.611 6.591 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.382 4.226 -6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.043 4.772 -6.733 1.00 0.00 H new ATOM 87 N CYS A 7 -0.952 7.174 -6.937 1.00 0.00 N ATOM 88 CA CYS A 7 -1.439 7.968 -8.096 1.00 0.00 C ATOM 89 C CYS A 7 -1.510 9.439 -7.692 1.00 0.00 C ATOM 90 O CYS A 7 -1.551 10.324 -8.524 1.00 0.00 O ATOM 91 CB CYS A 7 -2.814 7.457 -8.537 1.00 0.00 C ATOM 92 SG CYS A 7 -3.249 8.167 -10.144 1.00 0.00 S ATOM 0 H CYS A 7 -1.673 6.872 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.753 7.862 -8.937 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.804 6.369 -8.601 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.566 7.725 -7.795 1.00 0.00 H new ATOM 97 N THR A 8 -1.486 9.707 -6.416 1.00 0.00 N ATOM 98 CA THR A 8 -1.509 11.118 -5.947 1.00 0.00 C ATOM 99 C THR A 8 -0.064 11.620 -5.902 1.00 0.00 C ATOM 100 O THR A 8 0.203 12.806 -5.909 1.00 0.00 O ATOM 101 CB THR A 8 -2.123 11.184 -4.546 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.290 12.544 -4.167 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.201 10.483 -3.547 1.00 0.00 C ATOM 0 H THR A 8 -1.451 9.006 -5.676 1.00 0.00 H new ATOM 0 HA THR A 8 -2.106 11.735 -6.619 1.00 0.00 H new ATOM 0 HB THR A 8 -3.093 10.686 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.684 12.588 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.640 10.531 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.075 9.440 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.230 10.977 -3.540 1.00 0.00 H new ATOM 111 N SER A 9 0.869 10.705 -5.861 1.00 0.00 N ATOM 112 CA SER A 9 2.309 11.077 -5.820 1.00 0.00 C ATOM 113 C SER A 9 3.138 9.808 -6.036 1.00 0.00 C ATOM 114 O SER A 9 2.645 8.820 -6.542 1.00 0.00 O ATOM 115 CB SER A 9 2.641 11.685 -4.457 1.00 0.00 C ATOM 116 OG SER A 9 1.923 12.902 -4.300 1.00 0.00 O ATOM 0 H SER A 9 0.688 9.701 -5.854 1.00 0.00 H new ATOM 0 HA SER A 9 2.534 11.808 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.378 10.988 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.713 11.868 -4.379 1.00 0.00 H new ATOM 0 HG SER A 9 1.500 13.144 -5.150 1.00 0.00 H new ATOM 122 N ILE A 10 4.385 9.812 -5.653 1.00 0.00 N ATOM 123 CA ILE A 10 5.213 8.588 -5.840 1.00 0.00 C ATOM 124 C ILE A 10 5.328 7.844 -4.508 1.00 0.00 C ATOM 125 O ILE A 10 5.638 8.424 -3.486 1.00 0.00 O ATOM 126 CB ILE A 10 6.611 8.968 -6.332 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.503 9.655 -7.702 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.456 7.697 -6.452 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.849 9.581 -8.433 1.00 0.00 C ATOM 0 H ILE A 10 4.863 10.603 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 10 4.737 7.946 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 10 7.081 9.654 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.728 9.174 -8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.206 10.696 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.455 7.956 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.527 7.214 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.988 7.015 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.764 10.070 -9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.613 10.083 -7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.128 8.537 -8.576 1.00 0.00 H new ATOM 141 N CYS A 11 5.081 6.561 -4.512 1.00 0.00 N ATOM 142 CA CYS A 11 5.178 5.780 -3.246 1.00 0.00 C ATOM 143 C CYS A 11 6.397 4.849 -3.319 1.00 0.00 C ATOM 144 O CYS A 11 7.462 5.252 -3.744 1.00 0.00 O ATOM 145 CB CYS A 11 3.895 4.966 -3.052 1.00 0.00 C ATOM 146 SG CYS A 11 3.639 3.880 -4.477 1.00 0.00 S ATOM 0 H CYS A 11 4.817 6.021 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 11 5.298 6.455 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.963 4.374 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.043 5.635 -2.935 1.00 0.00 H new ATOM 151 N SER A 12 6.264 3.614 -2.908 1.00 0.00 N ATOM 152 CA SER A 12 7.433 2.690 -2.961 1.00 0.00 C ATOM 153 C SER A 12 6.962 1.275 -3.309 1.00 0.00 C ATOM 154 O SER A 12 5.917 0.834 -2.875 1.00 0.00 O ATOM 155 CB SER A 12 8.125 2.673 -1.598 1.00 0.00 C ATOM 156 OG SER A 12 7.212 3.118 -0.602 1.00 0.00 O ATOM 0 H SER A 12 5.403 3.209 -2.541 1.00 0.00 H new ATOM 0 HA SER A 12 8.130 3.034 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.472 1.666 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.004 3.317 -1.616 1.00 0.00 H new ATOM 0 HG SER A 12 7.652 3.107 0.274 1.00 0.00 H new ATOM 162 N LEU A 13 7.730 0.560 -4.085 1.00 0.00 N ATOM 163 CA LEU A 13 7.334 -0.829 -4.452 1.00 0.00 C ATOM 164 C LEU A 13 7.259 -1.679 -3.181 1.00 0.00 C ATOM 165 O LEU A 13 6.682 -2.748 -3.170 1.00 0.00 O ATOM 166 CB LEU A 13 8.381 -1.418 -5.401 1.00 0.00 C ATOM 167 CG LEU A 13 7.765 -2.571 -6.194 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.468 -2.688 -7.546 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.943 -3.875 -5.416 1.00 0.00 C ATOM 0 H LEU A 13 8.615 0.878 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 13 6.362 -0.820 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.743 -0.648 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.242 -1.773 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 13 6.703 -2.381 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.031 -3.509 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.346 -1.758 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.529 -2.880 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.504 -4.698 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.005 -4.065 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.446 -3.793 -4.449 1.00 0.00 H new ATOM 181 N TYR A 14 7.830 -1.205 -2.105 1.00 0.00 N ATOM 182 CA TYR A 14 7.783 -1.979 -0.836 1.00 0.00 C ATOM 183 C TYR A 14 6.338 -2.050 -0.373 1.00 0.00 C ATOM 184 O TYR A 14 5.841 -3.091 0.009 1.00 0.00 O ATOM 185 CB TYR A 14 8.637 -1.282 0.224 1.00 0.00 C ATOM 186 CG TYR A 14 10.080 -1.267 -0.231 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.828 -2.454 -0.235 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.670 -0.068 -0.656 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.163 -2.440 -0.661 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.005 -0.056 -1.082 1.00 0.00 C ATOM 191 CZ TYR A 14 12.750 -1.242 -1.085 1.00 0.00 C ATOM 192 OH TYR A 14 14.065 -1.230 -1.503 1.00 0.00 O ATOM 0 H TYR A 14 8.326 -0.315 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 14 8.174 -2.984 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.282 -0.263 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.549 -1.802 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.375 -3.379 0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.095 0.846 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.739 -3.354 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.459 0.868 -1.408 1.00 0.00 H new ATOM 0 HH TYR A 14 14.317 -0.320 -1.765 1.00 0.00 H new ATOM 202 N GLN A 15 5.656 -0.950 -0.432 1.00 0.00 N ATOM 203 CA GLN A 15 4.230 -0.939 -0.026 1.00 0.00 C ATOM 204 C GLN A 15 3.420 -1.632 -1.121 1.00 0.00 C ATOM 205 O GLN A 15 2.312 -2.084 -0.907 1.00 0.00 O ATOM 206 CB GLN A 15 3.749 0.504 0.139 1.00 0.00 C ATOM 207 CG GLN A 15 4.586 1.200 1.215 1.00 0.00 C ATOM 208 CD GLN A 15 4.084 2.633 1.404 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.279 3.475 0.551 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.442 2.946 2.496 1.00 0.00 N ATOM 0 H GLN A 15 6.025 -0.052 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 15 4.104 -1.458 0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.836 1.038 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.695 0.518 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.518 0.652 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.637 1.207 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.278 2.238 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.104 3.898 2.633 1.00 0.00 H new ATOM 219 N LEU A 16 3.980 -1.723 -2.297 1.00 0.00 N ATOM 220 CA LEU A 16 3.277 -2.387 -3.423 1.00 0.00 C ATOM 221 C LEU A 16 3.122 -3.876 -3.112 1.00 0.00 C ATOM 222 O LEU A 16 2.242 -4.542 -3.619 1.00 0.00 O ATOM 223 CB LEU A 16 4.112 -2.214 -4.691 1.00 0.00 C ATOM 224 CG LEU A 16 3.589 -1.024 -5.497 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.354 -0.926 -6.818 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.101 -1.223 -5.785 1.00 0.00 C ATOM 0 H LEU A 16 4.906 -1.360 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 16 2.291 -1.944 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.158 -2.056 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.067 -3.121 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 16 3.732 -0.106 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.981 -0.078 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.416 -0.788 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.211 -1.843 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.725 -0.376 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.961 -2.140 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.555 -1.294 -4.844 1.00 0.00 H new ATOM 238 N GLU A 17 3.976 -4.398 -2.280 1.00 0.00 N ATOM 239 CA GLU A 17 3.893 -5.844 -1.927 1.00 0.00 C ATOM 240 C GLU A 17 2.733 -6.067 -0.958 1.00 0.00 C ATOM 241 O GLU A 17 2.165 -7.138 -0.886 1.00 0.00 O ATOM 242 CB GLU A 17 5.202 -6.283 -1.267 1.00 0.00 C ATOM 243 CG GLU A 17 6.139 -6.864 -2.327 1.00 0.00 C ATOM 244 CD GLU A 17 5.976 -8.385 -2.377 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.990 -8.837 -2.934 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.841 -9.070 -1.857 1.00 0.00 O ATOM 0 H GLU A 17 4.732 -3.885 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 17 3.727 -6.430 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.676 -5.434 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.001 -7.028 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.914 -6.432 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.172 -6.606 -2.094 1.00 0.00 H new ATOM 253 N ASN A 18 2.378 -5.060 -0.216 1.00 0.00 N ATOM 254 CA ASN A 18 1.255 -5.201 0.751 1.00 0.00 C ATOM 255 C ASN A 18 -0.074 -5.201 -0.007 1.00 0.00 C ATOM 256 O ASN A 18 -1.131 -5.350 0.575 1.00 0.00 O ATOM 257 CB ASN A 18 1.285 -4.029 1.730 1.00 0.00 C ATOM 258 CG ASN A 18 1.927 -4.475 3.044 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.244 -4.690 4.025 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.222 -4.627 3.105 1.00 0.00 N ATOM 0 H ASN A 18 2.818 -4.140 -0.236 1.00 0.00 H new ATOM 0 HA ASN A 18 1.358 -6.138 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.847 -3.199 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.273 -3.668 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.660 -4.926 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.796 -4.447 2.281 1.00 0.00 H new ATOM 267 N TYR A 19 -0.032 -5.035 -1.301 1.00 0.00 N ATOM 268 CA TYR A 19 -1.291 -5.024 -2.095 1.00 0.00 C ATOM 269 C TYR A 19 -1.338 -6.269 -2.981 1.00 0.00 C ATOM 270 O TYR A 19 -1.969 -6.281 -4.020 1.00 0.00 O ATOM 271 CB TYR A 19 -1.324 -3.770 -2.970 1.00 0.00 C ATOM 272 CG TYR A 19 -1.237 -2.541 -2.096 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.022 -2.447 -0.938 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.372 -1.494 -2.443 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.940 -1.306 -0.127 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.291 -0.353 -1.631 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.075 -0.260 -0.475 1.00 0.00 C ATOM 278 OH TYR A 19 -0.995 0.863 0.324 1.00 0.00 O ATOM 0 H TYR A 19 0.823 -4.906 -1.843 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.151 -5.022 -1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.495 -3.785 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.242 -3.747 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.689 -3.253 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.232 -1.566 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.543 -1.233 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.376 0.453 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.348 1.491 -0.059 1.00 0.00 H new ATOM 288 N CYS A 20 -0.671 -7.318 -2.580 1.00 0.00 N ATOM 289 CA CYS A 20 -0.672 -8.560 -3.401 1.00 0.00 C ATOM 290 C CYS A 20 -1.691 -9.554 -2.835 1.00 0.00 C ATOM 291 O CYS A 20 -2.865 -9.498 -3.145 1.00 0.00 O ATOM 292 CB CYS A 20 0.725 -9.182 -3.376 1.00 0.00 C ATOM 293 SG CYS A 20 1.891 -8.081 -4.218 1.00 0.00 S ATOM 0 H CYS A 20 -0.126 -7.367 -1.719 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.945 -8.317 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.043 -9.347 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.710 -10.156 -3.865 1.00 0.00 H new ATOM 298 N ASN A 21 -1.253 -10.462 -2.009 1.00 0.00 N ATOM 299 CA ASN A 21 -2.197 -11.459 -1.426 1.00 0.00 C ATOM 300 C ASN A 21 -1.586 -12.056 -0.157 1.00 0.00 C ATOM 301 O ASN A 21 -0.835 -13.009 -0.276 1.00 0.00 O ATOM 302 CB ASN A 21 -2.453 -12.576 -2.441 1.00 0.00 C ATOM 303 CG ASN A 21 -3.773 -12.311 -3.169 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.797 -11.639 -4.180 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.878 -12.816 -2.693 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.881 -11.549 0.913 1.00 0.00 O ATOM 0 H ASN A 21 -0.282 -10.558 -1.711 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.139 -10.967 -1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.633 -12.625 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.492 -13.540 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.763 -12.646 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.856 -13.380 -1.844 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.460 1.631 -4.245 1.00 0.00 N ATOM 315 CA PHE B 1 13.313 0.678 -5.380 1.00 0.00 C ATOM 316 C PHE B 1 12.793 1.426 -6.609 1.00 0.00 C ATOM 317 O PHE B 1 13.302 1.273 -7.701 1.00 0.00 O ATOM 318 CB PHE B 1 12.321 -0.423 -5.002 1.00 0.00 C ATOM 319 CG PHE B 1 12.504 -1.601 -5.934 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.608 -2.451 -5.783 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.573 -1.841 -6.957 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.781 -3.538 -6.649 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.747 -2.928 -7.823 1.00 0.00 C ATOM 324 CZ PHE B 1 12.851 -3.777 -7.669 1.00 0.00 C ATOM 0 H1 PHE B 1 13.830 1.127 -3.414 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.120 2.389 -4.512 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.533 2.043 -4.016 1.00 0.00 H new ATOM 0 HA PHE B 1 14.282 0.233 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.480 -0.733 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.300 -0.047 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.326 -2.268 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.722 -1.187 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.632 -4.192 -6.530 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.030 -3.112 -8.610 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.985 -4.615 -8.336 1.00 0.00 H new ATOM 336 N VAL B 2 11.781 2.233 -6.439 1.00 0.00 N ATOM 337 CA VAL B 2 11.229 2.986 -7.599 1.00 0.00 C ATOM 338 C VAL B 2 11.206 4.481 -7.274 1.00 0.00 C ATOM 339 O VAL B 2 11.467 4.891 -6.160 1.00 0.00 O ATOM 340 CB VAL B 2 9.806 2.502 -7.893 1.00 0.00 C ATOM 341 CG1 VAL B 2 8.846 3.045 -6.832 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.373 3.003 -9.271 1.00 0.00 C ATOM 0 H VAL B 2 11.314 2.403 -5.548 1.00 0.00 H new ATOM 0 HA VAL B 2 11.857 2.816 -8.474 1.00 0.00 H new ATOM 0 HB VAL B 2 9.786 1.412 -7.875 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.835 2.698 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.152 2.689 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.867 4.135 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.360 2.659 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.397 4.093 -9.286 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.053 2.615 -10.029 1.00 0.00 H new ATOM 352 N ASN B 3 10.892 5.298 -8.240 1.00 0.00 N ATOM 353 CA ASN B 3 10.847 6.764 -7.997 1.00 0.00 C ATOM 354 C ASN B 3 10.032 7.428 -9.107 1.00 0.00 C ATOM 355 O ASN B 3 10.170 8.605 -9.374 1.00 0.00 O ATOM 356 CB ASN B 3 12.270 7.326 -8.002 1.00 0.00 C ATOM 357 CG ASN B 3 12.780 7.437 -6.563 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.558 6.505 -6.087 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 12.465 8.380 -5.866 1.00 0.00 N flip ATOM 0 H ASN B 3 10.664 5.011 -9.192 1.00 0.00 H new ATOM 0 HA ASN B 3 10.384 6.964 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.926 6.678 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.284 8.305 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.856 9.109 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.809 8.443 -4.908 1.00 0.00 H new ATOM 366 N GLN B 4 9.179 6.680 -9.755 1.00 0.00 N ATOM 367 CA GLN B 4 8.354 7.261 -10.845 1.00 0.00 C ATOM 368 C GLN B 4 6.903 7.369 -10.371 1.00 0.00 C ATOM 369 O GLN B 4 6.525 6.800 -9.367 1.00 0.00 O ATOM 370 CB GLN B 4 8.431 6.347 -12.068 1.00 0.00 C ATOM 371 CG GLN B 4 9.448 6.906 -13.064 1.00 0.00 C ATOM 372 CD GLN B 4 9.548 5.971 -14.270 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.989 4.846 -14.144 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.157 6.393 -15.441 1.00 0.00 N ATOM 0 H GLN B 4 9.020 5.689 -9.573 1.00 0.00 H new ATOM 0 HA GLN B 4 8.724 8.252 -11.108 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.720 5.341 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.451 6.269 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.147 7.902 -13.387 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.423 7.007 -12.587 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.787 7.338 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.221 5.778 -16.252 1.00 0.00 H new ATOM 383 N HIS B 5 6.088 8.100 -11.080 1.00 0.00 N ATOM 384 CA HIS B 5 4.666 8.247 -10.662 1.00 0.00 C ATOM 385 C HIS B 5 3.863 7.019 -11.104 1.00 0.00 C ATOM 386 O HIS B 5 3.935 6.592 -12.239 1.00 0.00 O ATOM 387 CB HIS B 5 4.079 9.501 -11.309 1.00 0.00 C ATOM 388 CG HIS B 5 2.992 10.057 -10.435 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.354 11.240 -10.744 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.445 9.589 -9.273 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.451 11.454 -9.777 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.470 10.470 -8.854 1.00 0.00 N ATOM 0 H HIS B 5 6.345 8.602 -11.930 1.00 0.00 H new ATOM 0 HA HIS B 5 4.615 8.334 -9.577 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.860 10.247 -11.454 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.680 9.261 -12.295 1.00 0.00 H new ATOM 0 HD1 HIS B 5 2.534 11.836 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.730 8.679 -8.766 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.790 12.308 -9.741 1.00 0.00 H new ATOM 400 N LEU B 6 3.093 6.453 -10.214 1.00 0.00 N ATOM 401 CA LEU B 6 2.278 5.256 -10.579 1.00 0.00 C ATOM 402 C LEU B 6 0.797 5.635 -10.549 1.00 0.00 C ATOM 403 O LEU B 6 0.397 6.508 -9.815 1.00 0.00 O ATOM 404 CB LEU B 6 2.532 4.136 -9.567 1.00 0.00 C ATOM 405 CG LEU B 6 3.874 3.465 -9.864 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.776 2.679 -11.172 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.966 4.531 -9.992 1.00 0.00 C ATOM 0 H LEU B 6 2.992 6.767 -9.249 1.00 0.00 H new ATOM 0 HA LEU B 6 2.555 4.914 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.533 4.541 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.729 3.401 -9.615 1.00 0.00 H new ATOM 0 HG LEU B 6 4.124 2.786 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.733 2.202 -11.382 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.002 1.917 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.523 3.358 -11.986 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.921 4.050 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.715 5.213 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.040 5.090 -9.059 1.00 0.00 H new ATOM 419 N CYS B 7 -0.021 4.990 -11.337 1.00 0.00 N ATOM 420 CA CYS B 7 -1.476 5.330 -11.338 1.00 0.00 C ATOM 421 C CYS B 7 -2.288 4.142 -11.894 1.00 0.00 C ATOM 422 O CYS B 7 -2.490 3.154 -11.219 1.00 0.00 O ATOM 423 CB CYS B 7 -1.703 6.577 -12.205 1.00 0.00 C ATOM 424 SG CYS B 7 -1.538 8.075 -11.208 1.00 0.00 S ATOM 0 H CYS B 7 0.252 4.245 -11.978 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.806 5.535 -10.320 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.982 6.595 -13.023 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.695 6.539 -12.655 1.00 0.00 H new ATOM 429 N GLY B 8 -2.761 4.218 -13.114 1.00 0.00 N ATOM 430 CA GLY B 8 -3.550 3.084 -13.672 1.00 0.00 C ATOM 431 C GLY B 8 -2.596 1.985 -14.141 1.00 0.00 C ATOM 432 O GLY B 8 -1.943 1.337 -13.348 1.00 0.00 O ATOM 0 H GLY B 8 -2.634 5.012 -13.741 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.230 2.692 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.164 3.428 -14.505 1.00 0.00 H new ATOM 436 N SER B 9 -2.507 1.772 -15.425 1.00 0.00 N ATOM 437 CA SER B 9 -1.590 0.717 -15.939 1.00 0.00 C ATOM 438 C SER B 9 -0.210 0.896 -15.304 1.00 0.00 C ATOM 439 O SER B 9 0.562 -0.036 -15.199 1.00 0.00 O ATOM 440 CB SER B 9 -1.473 0.838 -17.458 1.00 0.00 C ATOM 441 OG SER B 9 -1.248 -0.450 -18.016 1.00 0.00 O ATOM 0 H SER B 9 -3.028 2.282 -16.139 1.00 0.00 H new ATOM 0 HA SER B 9 -1.985 -0.267 -15.685 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.384 1.272 -17.871 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.654 1.508 -17.719 1.00 0.00 H new ATOM 0 HG SER B 9 -1.174 -0.376 -18.990 1.00 0.00 H new ATOM 447 N ASP B 10 0.104 2.088 -14.875 1.00 0.00 N ATOM 448 CA ASP B 10 1.430 2.327 -14.244 1.00 0.00 C ATOM 449 C ASP B 10 1.470 1.639 -12.877 1.00 0.00 C ATOM 450 O ASP B 10 2.348 0.845 -12.595 1.00 0.00 O ATOM 451 CB ASP B 10 1.649 3.832 -14.072 1.00 0.00 C ATOM 452 CG ASP B 10 2.062 4.443 -15.411 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.988 3.926 -16.015 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.447 5.418 -15.810 1.00 0.00 O ATOM 0 H ASP B 10 -0.502 2.906 -14.935 1.00 0.00 H new ATOM 0 HA ASP B 10 2.218 1.920 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.735 4.304 -13.711 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.420 4.015 -13.323 1.00 0.00 H new ATOM 459 N LEU B 11 0.520 1.926 -12.027 1.00 0.00 N ATOM 460 CA LEU B 11 0.506 1.276 -10.688 1.00 0.00 C ATOM 461 C LEU B 11 0.145 -0.199 -10.872 1.00 0.00 C ATOM 462 O LEU B 11 0.593 -1.058 -10.139 1.00 0.00 O ATOM 463 CB LEU B 11 -0.534 1.964 -9.791 1.00 0.00 C ATOM 464 CG LEU B 11 -0.015 2.137 -8.352 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.189 2.019 -7.381 1.00 0.00 C ATOM 466 CD2 LEU B 11 1.016 1.060 -8.006 1.00 0.00 C ATOM 0 H LEU B 11 -0.243 2.580 -12.203 1.00 0.00 H new ATOM 0 HA LEU B 11 1.485 1.362 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.786 2.939 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.451 1.376 -9.779 1.00 0.00 H new ATOM 0 HG LEU B 11 0.458 3.116 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.830 2.140 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.923 2.794 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.653 1.038 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.366 1.206 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.557 0.075 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.860 1.131 -8.692 1.00 0.00 H new ATOM 478 N VAL B 12 -0.649 -0.501 -11.866 1.00 0.00 N ATOM 479 CA VAL B 12 -1.020 -1.918 -12.113 1.00 0.00 C ATOM 480 C VAL B 12 0.205 -2.642 -12.671 1.00 0.00 C ATOM 481 O VAL B 12 0.545 -3.728 -12.247 1.00 0.00 O ATOM 482 CB VAL B 12 -2.170 -1.978 -13.126 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.250 -3.378 -13.744 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.490 -1.666 -12.417 1.00 0.00 C ATOM 0 H VAL B 12 -1.054 0.174 -12.514 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.345 -2.393 -11.187 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.990 -1.246 -13.913 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.069 -3.412 -14.462 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.313 -3.606 -14.251 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.425 -4.113 -12.958 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.308 -1.708 -13.136 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.662 -2.399 -11.629 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.442 -0.668 -11.981 1.00 0.00 H new ATOM 494 N GLU B 13 0.880 -2.037 -13.609 1.00 0.00 N ATOM 495 CA GLU B 13 2.092 -2.679 -14.183 1.00 0.00 C ATOM 496 C GLU B 13 3.004 -3.107 -13.034 1.00 0.00 C ATOM 497 O GLU B 13 3.715 -4.089 -13.121 1.00 0.00 O ATOM 498 CB GLU B 13 2.827 -1.679 -15.079 1.00 0.00 C ATOM 499 CG GLU B 13 2.273 -1.764 -16.502 1.00 0.00 C ATOM 500 CD GLU B 13 3.416 -2.043 -17.479 1.00 0.00 C ATOM 501 OE1 GLU B 13 4.289 -1.198 -17.596 1.00 0.00 O ATOM 502 OE2 GLU B 13 3.401 -3.096 -18.093 1.00 0.00 O ATOM 0 H GLU B 13 0.643 -1.126 -14.002 1.00 0.00 H new ATOM 0 HA GLU B 13 1.810 -3.547 -14.779 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.705 -0.668 -14.690 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.896 -1.893 -15.080 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.525 -2.554 -16.566 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.775 -0.831 -16.766 1.00 0.00 H new ATOM 509 N ALA B 14 2.977 -2.379 -11.950 1.00 0.00 N ATOM 510 CA ALA B 14 3.828 -2.745 -10.786 1.00 0.00 C ATOM 511 C ALA B 14 3.262 -4.003 -10.130 1.00 0.00 C ATOM 512 O ALA B 14 3.879 -5.048 -10.137 1.00 0.00 O ATOM 513 CB ALA B 14 3.828 -1.599 -9.772 1.00 0.00 C ATOM 0 H ALA B 14 2.401 -1.547 -11.822 1.00 0.00 H new ATOM 0 HA ALA B 14 4.848 -2.931 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.452 -1.868 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.223 -0.698 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.809 -1.414 -9.432 1.00 0.00 H new ATOM 519 N LEU B 15 2.088 -3.916 -9.568 1.00 0.00 N ATOM 520 CA LEU B 15 1.482 -5.112 -8.917 1.00 0.00 C ATOM 521 C LEU B 15 1.651 -6.328 -9.830 1.00 0.00 C ATOM 522 O LEU B 15 2.012 -7.403 -9.391 1.00 0.00 O ATOM 523 CB LEU B 15 -0.009 -4.862 -8.681 1.00 0.00 C ATOM 524 CG LEU B 15 -0.186 -3.873 -7.526 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.610 -3.314 -7.545 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.060 -4.593 -6.198 1.00 0.00 C ATOM 0 H LEU B 15 1.522 -3.068 -9.531 1.00 0.00 H new ATOM 0 HA LEU B 15 1.978 -5.297 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.470 -4.466 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.514 -5.800 -8.451 1.00 0.00 H new ATOM 0 HG LEU B 15 0.526 -3.055 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.735 -2.610 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.787 -2.802 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.323 -4.131 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.066 -3.890 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.653 -5.410 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.074 -4.992 -6.183 1.00 0.00 H new ATOM 538 N TYR B 16 1.389 -6.165 -11.097 1.00 0.00 N ATOM 539 CA TYR B 16 1.526 -7.305 -12.047 1.00 0.00 C ATOM 540 C TYR B 16 2.943 -7.887 -11.973 1.00 0.00 C ATOM 541 O TYR B 16 3.125 -9.087 -11.912 1.00 0.00 O ATOM 542 CB TYR B 16 1.253 -6.811 -13.469 1.00 0.00 C ATOM 543 CG TYR B 16 -0.018 -7.446 -13.990 1.00 0.00 C ATOM 544 CD1 TYR B 16 -0.111 -8.842 -14.108 1.00 0.00 C ATOM 545 CD2 TYR B 16 -1.107 -6.642 -14.360 1.00 0.00 C ATOM 546 CE1 TYR B 16 -1.287 -9.428 -14.592 1.00 0.00 C ATOM 547 CE2 TYR B 16 -2.282 -7.231 -14.843 1.00 0.00 C ATOM 548 CZ TYR B 16 -2.372 -8.623 -14.959 1.00 0.00 C ATOM 549 OH TYR B 16 -3.530 -9.204 -15.436 1.00 0.00 O ATOM 0 H TYR B 16 1.084 -5.287 -11.517 1.00 0.00 H new ATOM 0 HA TYR B 16 0.809 -8.082 -11.780 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.159 -5.725 -13.476 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.091 -7.062 -14.120 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.725 -9.464 -13.825 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.039 -5.568 -14.272 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.357 -10.502 -14.682 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.119 -6.611 -15.126 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.185 -8.505 -15.644 1.00 0.00 H new ATOM 559 N LEU B 17 3.947 -7.051 -11.987 1.00 0.00 N ATOM 560 CA LEU B 17 5.346 -7.567 -11.927 1.00 0.00 C ATOM 561 C LEU B 17 5.817 -7.629 -10.471 1.00 0.00 C ATOM 562 O LEU B 17 6.854 -8.182 -10.169 1.00 0.00 O ATOM 563 CB LEU B 17 6.266 -6.636 -12.720 1.00 0.00 C ATOM 564 CG LEU B 17 6.924 -7.415 -13.859 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.088 -6.504 -15.078 1.00 0.00 C ATOM 566 CD2 LEU B 17 8.299 -7.912 -13.408 1.00 0.00 C ATOM 0 H LEU B 17 3.860 -6.036 -12.037 1.00 0.00 H new ATOM 0 HA LEU B 17 5.378 -8.568 -12.357 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.695 -5.799 -13.121 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.029 -6.217 -12.064 1.00 0.00 H new ATOM 0 HG LEU B 17 6.296 -8.266 -14.124 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.557 -7.062 -15.888 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.109 -6.149 -15.401 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.714 -5.652 -14.814 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.769 -8.468 -14.219 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.924 -7.060 -13.142 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.184 -8.563 -12.541 1.00 0.00 H new ATOM 578 N VAL B 18 5.064 -7.063 -9.569 1.00 0.00 N ATOM 579 CA VAL B 18 5.471 -7.088 -8.136 1.00 0.00 C ATOM 580 C VAL B 18 5.023 -8.402 -7.501 1.00 0.00 C ATOM 581 O VAL B 18 5.822 -9.172 -7.005 1.00 0.00 O ATOM 582 CB VAL B 18 4.809 -5.924 -7.402 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.078 -6.048 -5.901 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.383 -4.604 -7.915 1.00 0.00 C ATOM 0 H VAL B 18 4.184 -6.584 -9.762 1.00 0.00 H new ATOM 0 HA VAL B 18 6.555 -6.999 -8.065 1.00 0.00 H new ATOM 0 HB VAL B 18 3.734 -5.946 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.606 -5.217 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.668 -6.989 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.153 -6.026 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.910 -3.773 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.458 -4.581 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.191 -4.515 -8.984 1.00 0.00 H new ATOM 594 N CYS B 19 3.747 -8.660 -7.507 1.00 0.00 N ATOM 595 CA CYS B 19 3.234 -9.920 -6.900 1.00 0.00 C ATOM 596 C CYS B 19 3.543 -11.095 -7.829 1.00 0.00 C ATOM 597 O CYS B 19 4.309 -11.979 -7.495 1.00 0.00 O ATOM 598 CB CYS B 19 1.722 -9.808 -6.698 1.00 0.00 C ATOM 599 SG CYS B 19 1.309 -8.132 -6.151 1.00 0.00 S ATOM 0 H CYS B 19 3.033 -8.051 -7.907 1.00 0.00 H new ATOM 0 HA CYS B 19 3.717 -10.085 -5.937 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.202 -10.037 -7.628 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.388 -10.536 -5.959 1.00 0.00 H new ATOM 604 N GLY B 20 2.953 -11.114 -8.993 1.00 0.00 N ATOM 605 CA GLY B 20 3.215 -12.232 -9.943 1.00 0.00 C ATOM 606 C GLY B 20 2.697 -13.541 -9.345 1.00 0.00 C ATOM 607 O GLY B 20 2.792 -13.770 -8.156 1.00 0.00 O ATOM 0 H GLY B 20 2.301 -10.404 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.724 -12.036 -10.896 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.283 -12.309 -10.144 1.00 0.00 H new ATOM 611 N GLU B 21 2.147 -14.398 -10.162 1.00 0.00 N ATOM 612 CA GLU B 21 1.620 -15.696 -9.647 1.00 0.00 C ATOM 613 C GLU B 21 0.436 -15.436 -8.712 1.00 0.00 C ATOM 614 O GLU B 21 -0.685 -15.809 -8.998 1.00 0.00 O ATOM 615 CB GLU B 21 2.722 -16.437 -8.884 1.00 0.00 C ATOM 616 CG GLU B 21 3.910 -16.688 -9.814 1.00 0.00 C ATOM 617 CD GLU B 21 4.282 -18.171 -9.782 1.00 0.00 C ATOM 618 OE1 GLU B 21 4.706 -18.632 -8.734 1.00 0.00 O ATOM 619 OE2 GLU B 21 4.139 -18.820 -10.804 1.00 0.00 O ATOM 0 H GLU B 21 2.039 -14.256 -11.166 1.00 0.00 H new ATOM 0 HA GLU B 21 1.291 -16.307 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.040 -15.850 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.340 -17.384 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.658 -16.388 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.762 -16.082 -9.504 1.00 0.00 H new ATOM 626 N ARG B 22 0.673 -14.802 -7.597 1.00 0.00 N ATOM 627 CA ARG B 22 -0.442 -14.528 -6.645 1.00 0.00 C ATOM 628 C ARG B 22 -1.626 -13.914 -7.397 1.00 0.00 C ATOM 629 O ARG B 22 -2.770 -14.221 -7.123 1.00 0.00 O ATOM 630 CB ARG B 22 0.033 -13.558 -5.560 1.00 0.00 C ATOM 631 CG ARG B 22 0.205 -14.314 -4.241 1.00 0.00 C ATOM 632 CD ARG B 22 1.483 -13.846 -3.546 1.00 0.00 C ATOM 633 NE ARG B 22 1.129 -12.985 -2.382 1.00 0.00 N ATOM 634 CZ ARG B 22 2.046 -12.641 -1.520 1.00 0.00 C ATOM 635 NH1 ARG B 22 3.191 -12.172 -1.937 1.00 0.00 N ATOM 636 NH2 ARG B 22 1.821 -12.766 -0.241 1.00 0.00 N ATOM 0 H ARG B 22 1.589 -14.462 -7.303 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.755 -15.464 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.977 -13.100 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.689 -12.751 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.656 -14.141 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.253 -15.387 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.064 -14.706 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.108 -13.291 -4.246 1.00 0.00 H new ATOM 0 HE ARG B 22 0.169 -12.664 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.369 -12.075 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.908 -11.903 -1.263 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.927 -13.133 0.086 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.539 -12.497 0.432 1.00 0.00 H new ATOM 650 N GLY B 23 -1.368 -13.051 -8.342 1.00 0.00 N ATOM 651 CA GLY B 23 -2.488 -12.427 -9.102 1.00 0.00 C ATOM 652 C GLY B 23 -2.822 -11.064 -8.499 1.00 0.00 C ATOM 653 O GLY B 23 -3.414 -10.219 -9.138 1.00 0.00 O ATOM 0 H GLY B 23 -0.433 -12.752 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.211 -12.314 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.365 -13.073 -9.072 1.00 0.00 H new ATOM 657 N PHE B 24 -2.447 -10.857 -7.269 1.00 0.00 N ATOM 658 CA PHE B 24 -2.733 -9.557 -6.588 1.00 0.00 C ATOM 659 C PHE B 24 -4.179 -9.127 -6.869 1.00 0.00 C ATOM 660 O PHE B 24 -4.945 -9.853 -7.473 1.00 0.00 O ATOM 661 CB PHE B 24 -1.735 -8.487 -7.070 1.00 0.00 C ATOM 662 CG PHE B 24 -2.232 -7.799 -8.335 1.00 0.00 C ATOM 663 CD1 PHE B 24 -3.069 -6.672 -8.246 1.00 0.00 C ATOM 664 CD2 PHE B 24 -1.845 -8.276 -9.597 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.514 -6.033 -9.411 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.294 -7.635 -10.759 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.127 -6.515 -10.667 1.00 0.00 C ATOM 0 H PHE B 24 -1.949 -11.539 -6.697 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.616 -9.676 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.585 -7.746 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.766 -8.949 -7.261 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.369 -6.299 -7.278 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.200 -9.139 -9.672 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.156 -5.168 -9.340 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.996 -8.007 -11.728 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.471 -6.022 -11.564 1.00 0.00 H new ATOM 677 N PHE B 25 -4.569 -7.961 -6.429 1.00 0.00 N ATOM 678 CA PHE B 25 -5.974 -7.517 -6.683 1.00 0.00 C ATOM 679 C PHE B 25 -6.119 -5.995 -6.534 1.00 0.00 C ATOM 680 O PHE B 25 -6.070 -5.452 -5.449 1.00 0.00 O ATOM 681 CB PHE B 25 -6.941 -8.226 -5.725 1.00 0.00 C ATOM 682 CG PHE B 25 -6.424 -8.236 -4.295 1.00 0.00 C ATOM 683 CD1 PHE B 25 -5.346 -7.425 -3.898 1.00 0.00 C ATOM 684 CD2 PHE B 25 -7.047 -9.070 -3.355 1.00 0.00 C ATOM 685 CE1 PHE B 25 -4.899 -7.454 -2.570 1.00 0.00 C ATOM 686 CE2 PHE B 25 -6.598 -9.095 -2.029 1.00 0.00 C ATOM 687 CZ PHE B 25 -5.525 -8.288 -1.636 1.00 0.00 C ATOM 0 H PHE B 25 -3.986 -7.303 -5.911 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.222 -7.784 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.911 -7.729 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.097 -9.251 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -4.862 -6.780 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.875 -9.695 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.070 -6.832 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.081 -9.738 -1.308 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.180 -8.308 -0.613 1.00 0.00 H new ATOM 697 N TYR B 26 -6.321 -5.304 -7.622 1.00 0.00 N ATOM 698 CA TYR B 26 -6.487 -3.825 -7.542 1.00 0.00 C ATOM 699 C TYR B 26 -7.700 -3.494 -6.670 1.00 0.00 C ATOM 700 O TYR B 26 -8.769 -4.047 -6.839 1.00 0.00 O ATOM 701 CB TYR B 26 -6.705 -3.257 -8.948 1.00 0.00 C ATOM 702 CG TYR B 26 -5.920 -1.976 -9.104 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.615 -1.888 -8.603 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.499 -0.876 -9.749 1.00 0.00 C ATOM 705 CE1 TYR B 26 -3.887 -0.700 -8.748 1.00 0.00 C ATOM 706 CE2 TYR B 26 -5.771 0.314 -9.894 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.465 0.401 -9.393 1.00 0.00 C ATOM 708 OH TYR B 26 -3.748 1.572 -9.535 1.00 0.00 O ATOM 0 H TYR B 26 -6.378 -5.698 -8.561 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.591 -3.384 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.389 -3.983 -9.697 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.766 -3.068 -9.115 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.170 -2.736 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.506 -0.944 -10.135 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.880 -0.633 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.217 1.163 -10.391 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.482 1.681 -10.472 1.00 0.00 H new ATOM 718 N THR B 27 -7.544 -2.595 -5.737 1.00 0.00 N ATOM 719 CA THR B 27 -8.688 -2.227 -4.854 1.00 0.00 C ATOM 720 C THR B 27 -9.542 -1.161 -5.544 1.00 0.00 C ATOM 721 O THR B 27 -9.299 -0.795 -6.677 1.00 0.00 O ATOM 722 CB THR B 27 -8.153 -1.674 -3.531 1.00 0.00 C ATOM 723 OG1 THR B 27 -7.086 -0.773 -3.795 1.00 0.00 O ATOM 724 CG2 THR B 27 -7.647 -2.825 -2.662 1.00 0.00 C ATOM 0 H THR B 27 -6.673 -2.099 -5.548 1.00 0.00 H new ATOM 0 HA THR B 27 -9.296 -3.110 -4.660 1.00 0.00 H new ATOM 0 HB THR B 27 -8.952 -1.150 -3.006 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.313 0.114 -3.446 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.266 -2.430 -1.720 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.465 -3.516 -2.461 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.848 -3.351 -3.184 1.00 0.00 H new ATOM 732 N LYS B 28 -10.540 -0.657 -4.870 1.00 0.00 N ATOM 733 CA LYS B 28 -11.407 0.385 -5.489 1.00 0.00 C ATOM 734 C LYS B 28 -12.118 1.182 -4.390 1.00 0.00 C ATOM 735 O LYS B 28 -13.268 0.931 -4.090 1.00 0.00 O ATOM 736 CB LYS B 28 -12.446 -0.283 -6.390 1.00 0.00 C ATOM 737 CG LYS B 28 -12.262 0.207 -7.827 1.00 0.00 C ATOM 738 CD LYS B 28 -12.903 -0.790 -8.793 1.00 0.00 C ATOM 739 CE LYS B 28 -13.207 -0.093 -10.121 1.00 0.00 C ATOM 740 NZ LYS B 28 -14.643 -0.294 -10.468 1.00 0.00 N ATOM 0 H LYS B 28 -10.792 -0.922 -3.918 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.792 1.060 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.338 -1.367 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.451 -0.049 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.717 1.190 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.201 0.317 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.233 -1.634 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.821 -1.191 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.985 0.972 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.571 -0.495 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.852 0.179 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.840 -1.311 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.241 0.110 -9.719 1.00 0.00 H new ATOM 754 N PRO B 29 -11.404 2.121 -3.824 1.00 0.00 N ATOM 755 CA PRO B 29 -11.927 2.981 -2.749 1.00 0.00 C ATOM 756 C PRO B 29 -12.804 4.092 -3.335 1.00 0.00 C ATOM 757 O PRO B 29 -12.520 4.632 -4.385 1.00 0.00 O ATOM 758 CB PRO B 29 -10.665 3.565 -2.111 1.00 0.00 C ATOM 759 CG PRO B 29 -9.552 3.474 -3.182 1.00 0.00 C ATOM 760 CD PRO B 29 -10.005 2.409 -4.200 1.00 0.00 C ATOM 0 HA PRO B 29 -12.551 2.444 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.827 4.599 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.389 3.008 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.404 4.438 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.600 3.197 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.936 2.780 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.385 1.514 -4.143 1.00 0.00 H new ATOM 768 N THR B 30 -13.867 4.438 -2.661 1.00 0.00 N ATOM 769 CA THR B 30 -14.757 5.514 -3.178 1.00 0.00 C ATOM 770 C THR B 30 -13.946 6.795 -3.377 1.00 0.00 C ATOM 771 O THR B 30 -14.505 7.756 -3.880 1.00 0.00 O ATOM 772 CB THR B 30 -15.882 5.772 -2.172 1.00 0.00 C ATOM 773 OG1 THR B 30 -16.612 6.925 -2.568 1.00 0.00 O ATOM 774 CG2 THR B 30 -15.285 5.997 -0.782 1.00 0.00 C ATOM 775 OXT THR B 30 -12.779 6.794 -3.023 1.00 0.00 O ATOM 0 H THR B 30 -14.157 4.022 -1.776 1.00 0.00 H new ATOM 0 HA THR B 30 -15.186 5.205 -4.131 1.00 0.00 H new ATOM 0 HB THR B 30 -16.549 4.910 -2.143 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.170 7.344 -3.336 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.087 6.181 -0.067 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.724 5.113 -0.479 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.618 6.858 -0.808 1.00 0.00 H new TER 783 THR B 30