USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=11 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 NoAdj-H: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.127 USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=0.13,f=0.13) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.233 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.03 K(o=-2,f=-6.1!) USER MOD Single : B 1 PHE N :NH3+ -174:sc= 1.25 (180deg=1.02) USER MOD Single : B 3 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.23) USER MOD Single : B 4 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.0069) USER MOD Single : B 5 HIS : no HD1:sc= -5.38 K(o=-5.4,f=-6.5!) 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 104:sc= -1.86! USER MOD Single : B 27 THR OG1 : rot 106:sc= -0.865 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -13:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.375 2.418 -0.611 1.00 0.00 N ATOM 2 CA GLY A 1 -5.810 3.738 -1.135 1.00 0.00 C ATOM 3 C GLY A 1 -4.585 3.724 -1.986 1.00 0.00 C ATOM 4 O GLY A 1 -4.100 4.754 -2.411 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.223 2.606 -0.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.627 1.805 -1.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.660 1.943 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.599 4.228 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.601 4.370 -0.272 1.00 0.00 H new HETATM 10 N IIL A 2 -4.055 2.564 -2.255 1.00 0.00 N HETATM 11 CA IIL A 2 -2.830 2.482 -3.098 1.00 0.00 C HETATM 12 C IIL A 2 -3.045 3.267 -4.394 1.00 0.00 C HETATM 13 O IIL A 2 -2.170 3.972 -4.856 1.00 0.00 O HETATM 14 CB IIL A 2 -2.541 1.015 -3.430 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.215 0.913 -4.188 1.00 0.00 C HETATM 16 CG1 IIL A 2 -3.669 0.458 -4.299 1.00 0.00 C HETATM 17 CD1 IIL A 2 -3.585 -1.070 -4.325 1.00 0.00 C HETATM 0 HG23 IIL A 2 -1.279 1.488 -5.112 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.410 1.310 -3.569 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.010 -0.131 -4.424 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -4.635 0.773 -3.905 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -3.592 0.855 -5.311 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -2.624 -1.375 -4.738 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -3.683 -1.457 -3.311 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -4.389 -1.468 -4.944 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.475 0.440 -2.506 1.00 0.00 H new HETATM 0 HA IIL A 2 -1.986 2.907 -2.555 1.00 0.00 H new ATOM 29 N VAL A 3 -4.202 3.150 -4.985 1.00 0.00 N ATOM 30 CA VAL A 3 -4.469 3.889 -6.252 1.00 0.00 C ATOM 31 C VAL A 3 -4.527 5.390 -5.965 1.00 0.00 C ATOM 32 O VAL A 3 -3.809 6.173 -6.556 1.00 0.00 O ATOM 33 CB VAL A 3 -5.804 3.431 -6.839 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.198 4.354 -7.992 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.669 1.998 -7.356 1.00 0.00 C ATOM 0 H VAL A 3 -4.974 2.575 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.670 3.686 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.572 3.468 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.150 4.027 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.295 5.375 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.430 4.318 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.621 1.671 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.901 1.961 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.389 1.339 -6.534 1.00 0.00 H new ATOM 45 N GLU A 4 -5.378 5.801 -5.065 1.00 0.00 N ATOM 46 CA GLU A 4 -5.482 7.252 -4.747 1.00 0.00 C ATOM 47 C GLU A 4 -4.227 7.707 -3.998 1.00 0.00 C ATOM 48 O GLU A 4 -4.050 8.876 -3.720 1.00 0.00 O ATOM 49 CB GLU A 4 -6.714 7.493 -3.872 1.00 0.00 C ATOM 50 CG GLU A 4 -7.977 7.378 -4.726 1.00 0.00 C ATOM 51 CD GLU A 4 -8.641 8.750 -4.845 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.239 9.508 -5.713 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.540 9.021 -4.066 1.00 0.00 O ATOM 0 H GLU A 4 -6.005 5.194 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.574 7.820 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.744 6.767 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.660 8.481 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.726 6.997 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.669 6.666 -4.277 1.00 0.00 H new ATOM 60 N GLN A 5 -3.355 6.795 -3.664 1.00 0.00 N ATOM 61 CA GLN A 5 -2.120 7.188 -2.932 1.00 0.00 C ATOM 62 C GLN A 5 -0.926 7.199 -3.895 1.00 0.00 C ATOM 63 O GLN A 5 -0.250 8.199 -4.047 1.00 0.00 O ATOM 64 CB GLN A 5 -1.860 6.190 -1.802 1.00 0.00 C ATOM 65 CG GLN A 5 -0.524 6.515 -1.137 1.00 0.00 C ATOM 66 CD GLN A 5 -0.654 7.818 -0.346 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.442 7.910 0.574 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.091 8.840 -0.669 1.00 0.00 N ATOM 0 H GLN A 5 -3.445 5.799 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.250 8.186 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.665 6.236 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.845 5.174 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.228 5.702 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.257 6.611 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.753 8.765 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.011 9.714 -0.149 1.00 0.00 H new ATOM 77 N CYS A 6 -0.658 6.097 -4.544 1.00 0.00 N ATOM 78 CA CYS A 6 0.495 6.057 -5.487 1.00 0.00 C ATOM 79 C CYS A 6 0.164 6.867 -6.742 1.00 0.00 C ATOM 80 O CYS A 6 1.017 7.111 -7.575 1.00 0.00 O ATOM 81 CB CYS A 6 0.798 4.607 -5.874 1.00 0.00 C ATOM 82 SG CYS A 6 0.906 3.602 -4.374 1.00 0.00 S ATOM 0 H CYS A 6 -1.185 5.228 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 6 1.370 6.489 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.016 4.222 -6.529 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.734 4.554 -6.430 1.00 0.00 H new ATOM 87 N CYS A 7 -1.062 7.296 -6.883 1.00 0.00 N ATOM 88 CA CYS A 7 -1.423 8.101 -8.082 1.00 0.00 C ATOM 89 C CYS A 7 -1.442 9.581 -7.699 1.00 0.00 C ATOM 90 O CYS A 7 -1.359 10.453 -8.540 1.00 0.00 O ATOM 91 CB CYS A 7 -2.787 7.661 -8.624 1.00 0.00 C ATOM 92 SG CYS A 7 -3.071 8.398 -10.255 1.00 0.00 S ATOM 0 H CYS A 7 -1.822 7.125 -6.225 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.684 7.944 -8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.826 6.574 -8.695 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.576 7.964 -7.936 1.00 0.00 H new ATOM 97 N THR A 8 -1.504 9.871 -6.426 1.00 0.00 N ATOM 98 CA THR A 8 -1.469 11.295 -5.990 1.00 0.00 C ATOM 99 C THR A 8 -0.001 11.725 -5.970 1.00 0.00 C ATOM 100 O THR A 8 0.329 12.890 -6.061 1.00 0.00 O ATOM 101 CB THR A 8 -2.070 11.427 -4.586 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.105 12.798 -4.215 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.217 10.648 -3.583 1.00 0.00 C ATOM 0 H THR A 8 -1.577 9.186 -5.674 1.00 0.00 H new ATOM 0 HA THR A 8 -2.048 11.922 -6.668 1.00 0.00 H new ATOM 0 HB THR A 8 -3.082 11.022 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.490 12.884 -3.318 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.648 10.745 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.192 9.596 -3.867 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.203 11.048 -3.580 1.00 0.00 H new ATOM 111 N SER A 9 0.877 10.762 -5.871 1.00 0.00 N ATOM 112 CA SER A 9 2.339 11.040 -5.864 1.00 0.00 C ATOM 113 C SER A 9 3.047 9.778 -6.359 1.00 0.00 C ATOM 114 O SER A 9 2.491 9.015 -7.123 1.00 0.00 O ATOM 115 CB SER A 9 2.797 11.368 -4.442 1.00 0.00 C ATOM 116 OG SER A 9 1.989 12.413 -3.917 1.00 0.00 O ATOM 0 H SER A 9 0.634 9.774 -5.793 1.00 0.00 H new ATOM 0 HA SER A 9 2.573 11.890 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.722 10.483 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.844 11.670 -4.446 1.00 0.00 H new ATOM 0 HG SER A 9 2.279 12.624 -3.005 1.00 0.00 H new ATOM 122 N ILE A 10 4.252 9.526 -5.931 1.00 0.00 N ATOM 123 CA ILE A 10 4.934 8.288 -6.391 1.00 0.00 C ATOM 124 C ILE A 10 4.526 7.134 -5.463 1.00 0.00 C ATOM 125 O ILE A 10 3.387 7.045 -5.054 1.00 0.00 O ATOM 126 CB ILE A 10 6.452 8.492 -6.384 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.774 9.895 -6.933 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.106 7.426 -7.272 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.185 9.920 -7.536 1.00 0.00 C ATOM 0 H ILE A 10 4.787 10.115 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 10 4.637 8.049 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 10 6.837 8.403 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.042 10.173 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.700 10.632 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.187 7.565 -7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.868 6.435 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.729 7.519 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.399 10.917 -7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.914 9.663 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.246 9.197 -8.350 1.00 0.00 H new ATOM 141 N CYS A 11 5.426 6.247 -5.126 1.00 0.00 N ATOM 142 CA CYS A 11 5.048 5.114 -4.232 1.00 0.00 C ATOM 143 C CYS A 11 6.179 4.087 -4.203 1.00 0.00 C ATOM 144 O CYS A 11 6.752 3.754 -5.221 1.00 0.00 O ATOM 145 CB CYS A 11 3.782 4.441 -4.769 1.00 0.00 C ATOM 146 SG CYS A 11 2.559 4.294 -3.442 1.00 0.00 S ATOM 0 H CYS A 11 6.400 6.258 -5.429 1.00 0.00 H new ATOM 0 HA CYS A 11 4.868 5.494 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.370 5.024 -5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.023 3.455 -5.165 1.00 0.00 H new ATOM 151 N SER A 12 6.499 3.573 -3.047 1.00 0.00 N ATOM 152 CA SER A 12 7.584 2.560 -2.965 1.00 0.00 C ATOM 153 C SER A 12 7.009 1.179 -3.273 1.00 0.00 C ATOM 154 O SER A 12 5.962 0.804 -2.781 1.00 0.00 O ATOM 155 CB SER A 12 8.189 2.558 -1.564 1.00 0.00 C ATOM 156 OG SER A 12 7.279 3.166 -0.656 1.00 0.00 O ATOM 0 H SER A 12 6.056 3.811 -2.159 1.00 0.00 H new ATOM 0 HA SER A 12 8.361 2.805 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.405 1.537 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.136 3.098 -1.564 1.00 0.00 H new ATOM 0 HG SER A 12 7.665 3.164 0.245 1.00 0.00 H new ATOM 162 N LEU A 13 7.686 0.419 -4.081 1.00 0.00 N ATOM 163 CA LEU A 13 7.178 -0.938 -4.415 1.00 0.00 C ATOM 164 C LEU A 13 7.176 -1.796 -3.148 1.00 0.00 C ATOM 165 O LEU A 13 6.587 -2.857 -3.103 1.00 0.00 O ATOM 166 CB LEU A 13 8.067 -1.570 -5.487 1.00 0.00 C ATOM 167 CG LEU A 13 9.364 -2.082 -4.868 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.055 -2.997 -5.870 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.276 -0.899 -4.539 1.00 0.00 C ATOM 0 H LEU A 13 8.568 0.677 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 13 6.162 -0.870 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.538 -2.392 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.291 -0.837 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 13 9.148 -2.631 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.985 -3.371 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.401 -3.836 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.274 -2.440 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.202 -1.266 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.503 -0.349 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.774 -0.238 -3.833 1.00 0.00 H new ATOM 181 N TYR A 14 7.822 -1.332 -2.109 1.00 0.00 N ATOM 182 CA TYR A 14 7.848 -2.109 -0.841 1.00 0.00 C ATOM 183 C TYR A 14 6.429 -2.177 -0.298 1.00 0.00 C ATOM 184 O TYR A 14 5.964 -3.207 0.148 1.00 0.00 O ATOM 185 CB TYR A 14 8.760 -1.413 0.172 1.00 0.00 C ATOM 186 CG TYR A 14 9.874 -2.353 0.581 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.783 -2.825 -0.378 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.000 -2.757 1.918 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.814 -3.695 0.000 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.031 -3.628 2.295 1.00 0.00 C ATOM 191 CZ TYR A 14 11.938 -4.097 1.336 1.00 0.00 C ATOM 192 OH TYR A 14 12.953 -4.954 1.707 1.00 0.00 O ATOM 0 H TYR A 14 8.331 -0.449 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 14 8.230 -3.114 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.178 -0.505 -0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.185 -1.112 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.688 -2.517 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.301 -2.396 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.514 -4.056 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.126 -3.938 3.325 1.00 0.00 H new ATOM 0 HH TYR A 14 12.896 -5.131 2.669 1.00 0.00 H new ATOM 202 N GLN A 15 5.732 -1.085 -0.360 1.00 0.00 N ATOM 203 CA GLN A 15 4.330 -1.070 0.124 1.00 0.00 C ATOM 204 C GLN A 15 3.456 -1.733 -0.936 1.00 0.00 C ATOM 205 O GLN A 15 2.384 -2.233 -0.658 1.00 0.00 O ATOM 206 CB GLN A 15 3.872 0.374 0.340 1.00 0.00 C ATOM 207 CG GLN A 15 4.854 1.089 1.269 1.00 0.00 C ATOM 208 CD GLN A 15 4.382 2.524 1.502 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.351 3.322 0.586 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.010 2.890 2.697 1.00 0.00 N ATOM 0 H GLN A 15 6.074 -0.197 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 15 4.252 -1.606 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.815 0.895 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.871 0.388 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.924 0.559 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.852 1.090 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.036 2.221 3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.693 3.845 2.862 1.00 0.00 H new ATOM 219 N LEU A 16 3.924 -1.752 -2.155 1.00 0.00 N ATOM 220 CA LEU A 16 3.148 -2.391 -3.248 1.00 0.00 C ATOM 221 C LEU A 16 2.986 -3.875 -2.932 1.00 0.00 C ATOM 222 O LEU A 16 2.083 -4.533 -3.410 1.00 0.00 O ATOM 223 CB LEU A 16 3.915 -2.224 -4.560 1.00 0.00 C ATOM 224 CG LEU A 16 3.373 -1.012 -5.321 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.105 -0.870 -6.657 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.879 -1.204 -5.586 1.00 0.00 C ATOM 0 H LEU A 16 4.817 -1.349 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 16 2.166 -1.928 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.978 -2.093 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.815 -3.123 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 16 3.530 -0.114 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.716 -0.006 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.171 -0.734 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.950 -1.769 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.492 -0.341 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.728 -2.104 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.351 -1.303 -4.638 1.00 0.00 H new ATOM 238 N GLU A 17 3.859 -4.402 -2.119 1.00 0.00 N ATOM 239 CA GLU A 17 3.766 -5.842 -1.755 1.00 0.00 C ATOM 240 C GLU A 17 2.582 -6.048 -0.814 1.00 0.00 C ATOM 241 O GLU A 17 2.008 -7.117 -0.744 1.00 0.00 O ATOM 242 CB GLU A 17 5.056 -6.276 -1.058 1.00 0.00 C ATOM 243 CG GLU A 17 5.942 -7.033 -2.048 1.00 0.00 C ATOM 244 CD GLU A 17 5.731 -8.538 -1.873 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.946 -8.911 -1.017 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.357 -9.292 -2.599 1.00 0.00 O ATOM 0 H GLU A 17 4.634 -3.896 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 17 3.624 -6.439 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.585 -5.404 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.824 -6.911 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.700 -6.737 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.989 -6.780 -1.882 1.00 0.00 H new ATOM 253 N ASN A 18 2.211 -5.030 -0.094 1.00 0.00 N ATOM 254 CA ASN A 18 1.062 -5.154 0.840 1.00 0.00 C ATOM 255 C ASN A 18 -0.238 -5.215 0.033 1.00 0.00 C ATOM 256 O ASN A 18 -1.309 -5.406 0.575 1.00 0.00 O ATOM 257 CB ASN A 18 1.033 -3.940 1.770 1.00 0.00 C ATOM 258 CG ASN A 18 1.655 -4.316 3.117 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.405 -5.266 3.208 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.374 -3.604 4.175 1.00 0.00 N ATOM 0 H ASN A 18 2.657 -4.113 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 18 1.165 -6.062 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.582 -3.112 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.007 -3.602 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.785 -3.846 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.744 -2.805 4.100 1.00 0.00 H new ATOM 267 N TYR A 19 -0.150 -5.058 -1.260 1.00 0.00 N ATOM 268 CA TYR A 19 -1.371 -5.110 -2.106 1.00 0.00 C ATOM 269 C TYR A 19 -1.277 -6.312 -3.046 1.00 0.00 C ATOM 270 O TYR A 19 -1.861 -6.329 -4.111 1.00 0.00 O ATOM 271 CB TYR A 19 -1.472 -3.826 -2.930 1.00 0.00 C ATOM 272 CG TYR A 19 -1.712 -2.656 -2.009 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.912 -2.563 -1.293 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.735 -1.660 -1.870 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.137 -1.476 -0.439 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.960 -0.573 -1.016 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.161 -0.481 -0.300 1.00 0.00 C ATOM 278 OH TYR A 19 -2.383 0.591 0.541 1.00 0.00 O ATOM 0 H TYR A 19 0.720 -4.895 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.254 -5.206 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.555 -3.673 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.285 -3.907 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.665 -3.330 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.191 -1.731 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.063 -1.405 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.208 0.194 -0.909 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.606 1.188 0.522 1.00 0.00 H new ATOM 288 N CYS A 20 -0.540 -7.316 -2.659 1.00 0.00 N ATOM 289 CA CYS A 20 -0.402 -8.517 -3.529 1.00 0.00 C ATOM 290 C CYS A 20 -1.495 -9.530 -3.177 1.00 0.00 C ATOM 291 O CYS A 20 -2.620 -9.419 -3.621 1.00 0.00 O ATOM 292 CB CYS A 20 0.978 -9.139 -3.312 1.00 0.00 C ATOM 293 SG CYS A 20 2.183 -8.313 -4.379 1.00 0.00 S ATOM 0 H CYS A 20 -0.027 -7.357 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.507 -8.230 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.273 -9.041 -2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.948 -10.205 -3.536 1.00 0.00 H new ATOM 298 N ASN A 21 -1.177 -10.517 -2.386 1.00 0.00 N ATOM 299 CA ASN A 21 -2.202 -11.530 -2.013 1.00 0.00 C ATOM 300 C ASN A 21 -1.635 -12.456 -0.933 1.00 0.00 C ATOM 301 O ASN A 21 -0.640 -12.089 -0.330 1.00 0.00 O ATOM 302 CB ASN A 21 -2.576 -12.352 -3.246 1.00 0.00 C ATOM 303 CG ASN A 21 -3.881 -11.816 -3.836 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.560 -11.021 -3.216 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.263 -12.218 -5.017 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.206 -13.515 -0.729 1.00 0.00 O ATOM 0 H ASN A 21 -0.252 -10.665 -1.982 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.089 -11.026 -1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.779 -12.298 -3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.690 -13.402 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.131 -11.865 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.693 -12.885 -5.538 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.972 1.875 -4.965 1.00 0.00 N ATOM 315 CA PHE B 1 15.900 1.533 -6.416 1.00 0.00 C ATOM 316 C PHE B 1 15.467 2.771 -7.208 1.00 0.00 C ATOM 317 O PHE B 1 16.290 3.530 -7.680 1.00 0.00 O ATOM 318 CB PHE B 1 14.895 0.389 -6.655 1.00 0.00 C ATOM 319 CG PHE B 1 14.197 0.011 -5.361 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.286 0.896 -4.765 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.467 -1.225 -4.755 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.646 0.545 -3.569 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.826 -1.574 -3.559 1.00 0.00 C ATOM 324 CZ PHE B 1 12.916 -0.691 -2.967 1.00 0.00 C ATOM 0 H1 PHE B 1 16.363 1.068 -4.437 1.00 0.00 H new ATOM 0 H2 PHE B 1 16.586 2.704 -4.834 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.018 2.091 -4.611 1.00 0.00 H new ATOM 0 HA PHE B 1 16.885 1.205 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.157 0.695 -7.396 1.00 0.00 H new ATOM 0 HB3 PHE B 1 15.414 -0.479 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.078 1.849 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.169 -1.908 -5.210 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.945 1.227 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.035 -2.526 -3.093 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.422 -0.962 -2.046 1.00 0.00 H new ATOM 336 N VAL B 2 14.187 2.986 -7.354 1.00 0.00 N ATOM 337 CA VAL B 2 13.708 4.178 -8.112 1.00 0.00 C ATOM 338 C VAL B 2 12.396 4.674 -7.500 1.00 0.00 C ATOM 339 O VAL B 2 11.836 4.048 -6.621 1.00 0.00 O ATOM 340 CB VAL B 2 13.469 3.793 -9.575 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.810 3.630 -10.296 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.697 2.474 -9.633 1.00 0.00 C ATOM 0 H VAL B 2 13.451 2.386 -6.980 1.00 0.00 H new ATOM 0 HA VAL B 2 14.459 4.966 -8.061 1.00 0.00 H new ATOM 0 HB VAL B 2 12.892 4.578 -10.064 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.633 3.356 -11.336 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.361 4.570 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.392 2.848 -9.809 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.526 2.198 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.275 1.692 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.739 2.591 -9.126 1.00 0.00 H new ATOM 352 N ASN B 3 11.898 5.792 -7.956 1.00 0.00 N ATOM 353 CA ASN B 3 10.627 6.323 -7.406 1.00 0.00 C ATOM 354 C ASN B 3 9.790 6.868 -8.564 1.00 0.00 C ATOM 355 O ASN B 3 9.525 8.049 -8.651 1.00 0.00 O ATOM 356 CB ASN B 3 10.943 7.444 -6.414 1.00 0.00 C ATOM 357 CG ASN B 3 10.898 6.896 -4.986 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.908 6.325 -4.573 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.935 7.049 -4.209 1.00 0.00 N ATOM 0 H ASN B 3 12.322 6.360 -8.689 1.00 0.00 H new ATOM 0 HA ASN B 3 10.073 5.538 -6.891 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.928 7.861 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.223 8.255 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.915 6.689 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.766 7.528 -4.556 1.00 0.00 H new ATOM 366 N GLN B 4 9.386 6.015 -9.468 1.00 0.00 N ATOM 367 CA GLN B 4 8.582 6.480 -10.631 1.00 0.00 C ATOM 368 C GLN B 4 7.121 6.654 -10.217 1.00 0.00 C ATOM 369 O GLN B 4 6.559 5.832 -9.523 1.00 0.00 O ATOM 370 CB GLN B 4 8.679 5.450 -11.757 1.00 0.00 C ATOM 371 CG GLN B 4 9.694 5.928 -12.798 1.00 0.00 C ATOM 372 CD GLN B 4 9.717 4.959 -13.981 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.771 4.603 -14.468 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.591 4.513 -14.467 1.00 0.00 N ATOM 0 H GLN B 4 9.580 5.014 -9.449 1.00 0.00 H new ATOM 0 HA GLN B 4 8.969 7.438 -10.978 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.982 4.483 -11.355 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.703 5.310 -12.222 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.433 6.929 -13.141 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.685 5.993 -12.350 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.705 4.812 -14.058 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.597 3.866 -15.255 1.00 0.00 H new ATOM 383 N HIS B 5 6.505 7.724 -10.637 1.00 0.00 N ATOM 384 CA HIS B 5 5.082 7.966 -10.271 1.00 0.00 C ATOM 385 C HIS B 5 4.218 6.793 -10.744 1.00 0.00 C ATOM 386 O HIS B 5 4.422 6.247 -11.809 1.00 0.00 O ATOM 387 CB HIS B 5 4.605 9.256 -10.939 1.00 0.00 C ATOM 388 CG HIS B 5 3.391 9.776 -10.222 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.227 9.042 -10.157 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.177 10.947 -9.549 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.350 9.776 -9.456 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.887 10.949 -9.064 1.00 0.00 N ATOM 0 H HIS B 5 6.929 8.445 -11.221 1.00 0.00 H new ATOM 0 HA HIS B 5 4.995 8.058 -9.188 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.399 10.003 -10.919 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.369 9.069 -11.987 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.899 11.739 -9.419 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.340 9.466 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.433 11.684 -8.522 1.00 0.00 H new ATOM 400 N LEU B 6 3.249 6.405 -9.956 1.00 0.00 N ATOM 401 CA LEU B 6 2.366 5.271 -10.354 1.00 0.00 C ATOM 402 C LEU B 6 0.927 5.774 -10.472 1.00 0.00 C ATOM 403 O LEU B 6 0.573 6.772 -9.891 1.00 0.00 O ATOM 404 CB LEU B 6 2.424 4.182 -9.279 1.00 0.00 C ATOM 405 CG LEU B 6 3.531 3.184 -9.612 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.275 2.584 -10.993 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.878 3.900 -9.613 1.00 0.00 C ATOM 0 H LEU B 6 3.032 6.826 -9.053 1.00 0.00 H new ATOM 0 HA LEU B 6 2.699 4.866 -11.309 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.608 4.631 -8.303 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.465 3.668 -9.217 1.00 0.00 H new ATOM 0 HG LEU B 6 3.541 2.390 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.064 1.871 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.312 2.073 -10.995 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.265 3.379 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.668 3.188 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.868 4.693 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.062 4.331 -8.629 1.00 0.00 H new ATOM 419 N CYS B 7 0.091 5.084 -11.204 1.00 0.00 N ATOM 420 CA CYS B 7 -1.331 5.528 -11.333 1.00 0.00 C ATOM 421 C CYS B 7 -2.167 4.388 -11.948 1.00 0.00 C ATOM 422 O CYS B 7 -2.429 3.395 -11.300 1.00 0.00 O ATOM 423 CB CYS B 7 -1.409 6.786 -12.214 1.00 0.00 C ATOM 424 SG CYS B 7 -1.285 8.274 -11.190 1.00 0.00 S ATOM 0 H CYS B 7 0.329 4.235 -11.717 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.729 5.771 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.605 6.774 -12.950 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.348 6.794 -12.768 1.00 0.00 H new ATOM 429 N GLY B 8 -2.589 4.508 -13.185 1.00 0.00 N ATOM 430 CA GLY B 8 -3.405 3.421 -13.802 1.00 0.00 C ATOM 431 C GLY B 8 -2.504 2.252 -14.201 1.00 0.00 C ATOM 432 O GLY B 8 -1.834 1.665 -13.376 1.00 0.00 O ATOM 0 H GLY B 8 -2.403 5.309 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.165 3.081 -13.098 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.930 3.802 -14.678 1.00 0.00 H new ATOM 436 N SER B 9 -2.489 1.908 -15.463 1.00 0.00 N ATOM 437 CA SER B 9 -1.636 0.773 -15.921 1.00 0.00 C ATOM 438 C SER B 9 -0.277 0.849 -15.228 1.00 0.00 C ATOM 439 O SER B 9 0.371 -0.152 -14.992 1.00 0.00 O ATOM 440 CB SER B 9 -1.441 0.858 -17.436 1.00 0.00 C ATOM 441 OG SER B 9 -2.335 -0.045 -18.074 1.00 0.00 O ATOM 0 H SER B 9 -3.031 2.365 -16.196 1.00 0.00 H new ATOM 0 HA SER B 9 -2.121 -0.170 -15.671 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.625 1.875 -17.782 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.411 0.614 -17.696 1.00 0.00 H new ATOM 0 HG SER B 9 -2.215 0.007 -19.045 1.00 0.00 H new ATOM 447 N ASP B 10 0.158 2.032 -14.895 1.00 0.00 N ATOM 448 CA ASP B 10 1.470 2.176 -14.212 1.00 0.00 C ATOM 449 C ASP B 10 1.409 1.499 -12.843 1.00 0.00 C ATOM 450 O ASP B 10 2.195 0.622 -12.540 1.00 0.00 O ATOM 451 CB ASP B 10 1.789 3.661 -14.031 1.00 0.00 C ATOM 452 CG ASP B 10 2.160 4.272 -15.382 1.00 0.00 C ATOM 453 OD1 ASP B 10 3.173 3.872 -15.933 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.426 5.130 -15.844 1.00 0.00 O ATOM 0 H ASP B 10 -0.340 2.905 -15.067 1.00 0.00 H new ATOM 0 HA ASP B 10 2.247 1.707 -14.815 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.928 4.180 -13.610 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.612 3.784 -13.326 1.00 0.00 H new ATOM 459 N LEU B 11 0.487 1.899 -12.008 1.00 0.00 N ATOM 460 CA LEU B 11 0.393 1.275 -10.659 1.00 0.00 C ATOM 461 C LEU B 11 -0.019 -0.188 -10.815 1.00 0.00 C ATOM 462 O LEU B 11 0.306 -1.029 -10.000 1.00 0.00 O ATOM 463 CB LEU B 11 -0.658 2.023 -9.817 1.00 0.00 C ATOM 464 CG LEU B 11 -0.326 2.015 -8.302 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.468 1.342 -7.541 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.975 1.259 -8.003 1.00 0.00 C ATOM 0 H LEU B 11 -0.201 2.627 -12.201 1.00 0.00 H new ATOM 0 HA LEU B 11 1.359 1.333 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.729 3.054 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.635 1.566 -9.973 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.200 3.050 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.240 1.334 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.393 1.894 -7.710 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.587 0.318 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.169 1.278 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.880 0.225 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.802 1.735 -8.530 1.00 0.00 H new ATOM 478 N VAL B 12 -0.726 -0.497 -11.865 1.00 0.00 N ATOM 479 CA VAL B 12 -1.156 -1.902 -12.087 1.00 0.00 C ATOM 480 C VAL B 12 0.029 -2.696 -12.641 1.00 0.00 C ATOM 481 O VAL B 12 0.404 -3.720 -12.107 1.00 0.00 O ATOM 482 CB VAL B 12 -2.323 -1.911 -13.081 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.430 -3.279 -13.763 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.624 -1.618 -12.330 1.00 0.00 C ATOM 0 H VAL B 12 -1.025 0.166 -12.580 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.484 -2.358 -11.153 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.149 -1.149 -13.841 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.263 -3.271 -14.466 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.505 -3.492 -14.299 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.598 -4.049 -13.010 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.458 -1.623 -13.032 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.785 -2.382 -11.569 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.557 -0.640 -11.853 1.00 0.00 H new ATOM 494 N GLU B 13 0.629 -2.228 -13.701 1.00 0.00 N ATOM 495 CA GLU B 13 1.793 -2.959 -14.270 1.00 0.00 C ATOM 496 C GLU B 13 2.759 -3.300 -13.135 1.00 0.00 C ATOM 497 O GLU B 13 3.375 -4.347 -13.122 1.00 0.00 O ATOM 498 CB GLU B 13 2.500 -2.081 -15.305 1.00 0.00 C ATOM 499 CG GLU B 13 1.802 -2.231 -16.659 1.00 0.00 C ATOM 500 CD GLU B 13 2.843 -2.181 -17.779 1.00 0.00 C ATOM 501 OE1 GLU B 13 4.021 -2.233 -17.469 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.443 -2.092 -18.928 1.00 0.00 O ATOM 0 H GLU B 13 0.364 -1.375 -14.195 1.00 0.00 H new ATOM 0 HA GLU B 13 1.455 -3.874 -14.757 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.482 -1.038 -14.987 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.548 -2.370 -15.389 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.257 -3.174 -16.697 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.070 -1.435 -16.793 1.00 0.00 H new ATOM 509 N ALA B 14 2.885 -2.425 -12.174 1.00 0.00 N ATOM 510 CA ALA B 14 3.800 -2.701 -11.033 1.00 0.00 C ATOM 511 C ALA B 14 3.265 -3.901 -10.250 1.00 0.00 C ATOM 512 O ALA B 14 3.897 -4.936 -10.176 1.00 0.00 O ATOM 513 CB ALA B 14 3.863 -1.475 -10.118 1.00 0.00 C ATOM 0 H ALA B 14 2.394 -1.532 -12.131 1.00 0.00 H new ATOM 0 HA ALA B 14 4.801 -2.920 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.533 -1.678 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.235 -0.619 -10.681 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.866 -1.253 -9.737 1.00 0.00 H new ATOM 519 N LEU B 15 2.099 -3.774 -9.673 1.00 0.00 N ATOM 520 CA LEU B 15 1.520 -4.912 -8.907 1.00 0.00 C ATOM 521 C LEU B 15 1.718 -6.204 -9.702 1.00 0.00 C ATOM 522 O LEU B 15 2.106 -7.224 -9.168 1.00 0.00 O ATOM 523 CB LEU B 15 0.025 -4.670 -8.691 1.00 0.00 C ATOM 524 CG LEU B 15 -0.169 -3.590 -7.627 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.549 -2.949 -7.795 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.067 -4.223 -6.237 1.00 0.00 C ATOM 0 H LEU B 15 1.525 -2.932 -9.700 1.00 0.00 H new ATOM 0 HA LEU B 15 2.017 -4.996 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.443 -4.362 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.462 -5.594 -8.379 1.00 0.00 H new ATOM 0 HG LEU B 15 0.601 -2.827 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.687 -2.179 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.624 -2.500 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.320 -3.711 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.205 -3.455 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.838 -4.985 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.915 -4.680 -6.117 1.00 0.00 H new ATOM 538 N TYR B 16 1.454 -6.162 -10.980 1.00 0.00 N ATOM 539 CA TYR B 16 1.627 -7.381 -11.821 1.00 0.00 C ATOM 540 C TYR B 16 3.066 -7.886 -11.694 1.00 0.00 C ATOM 541 O TYR B 16 3.308 -9.005 -11.287 1.00 0.00 O ATOM 542 CB TYR B 16 1.339 -7.031 -13.284 1.00 0.00 C ATOM 543 CG TYR B 16 0.133 -7.809 -13.765 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.115 -9.210 -13.677 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.972 -7.130 -14.301 1.00 0.00 C ATOM 546 CE1 TYR B 16 -1.003 -9.927 -14.126 1.00 0.00 C ATOM 547 CE2 TYR B 16 -2.089 -7.848 -14.748 1.00 0.00 C ATOM 548 CZ TYR B 16 -2.105 -9.245 -14.661 1.00 0.00 C ATOM 549 OH TYR B 16 -3.206 -9.953 -15.103 1.00 0.00 O ATOM 0 H TYR B 16 1.126 -5.335 -11.479 1.00 0.00 H new ATOM 0 HA TYR B 16 0.938 -8.157 -11.487 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.157 -5.961 -13.383 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.206 -7.266 -13.902 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.963 -9.736 -13.263 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.961 -6.052 -14.369 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.015 -11.005 -14.060 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.938 -7.323 -15.160 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.881 -9.329 -15.443 1.00 0.00 H new ATOM 559 N LEU B 17 4.023 -7.069 -12.041 1.00 0.00 N ATOM 560 CA LEU B 17 5.446 -7.503 -11.942 1.00 0.00 C ATOM 561 C LEU B 17 5.864 -7.554 -10.472 1.00 0.00 C ATOM 562 O LEU B 17 6.889 -8.108 -10.126 1.00 0.00 O ATOM 563 CB LEU B 17 6.335 -6.511 -12.696 1.00 0.00 C ATOM 564 CG LEU B 17 6.935 -7.196 -13.924 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.343 -6.138 -14.950 1.00 0.00 C ATOM 566 CD2 LEU B 17 8.167 -8.000 -13.506 1.00 0.00 C ATOM 0 H LEU B 17 3.881 -6.121 -12.388 1.00 0.00 H new ATOM 0 HA LEU B 17 5.556 -8.494 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.752 -5.642 -13.000 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.130 -6.149 -12.043 1.00 0.00 H new ATOM 0 HG LEU B 17 6.195 -7.864 -14.365 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.771 -6.626 -15.826 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.466 -5.563 -15.247 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.083 -5.470 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.596 -8.489 -14.380 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.906 -7.331 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.878 -8.754 -12.774 1.00 0.00 H new ATOM 578 N VAL B 18 5.077 -6.983 -9.602 1.00 0.00 N ATOM 579 CA VAL B 18 5.428 -7.002 -8.154 1.00 0.00 C ATOM 580 C VAL B 18 5.108 -8.381 -7.576 1.00 0.00 C ATOM 581 O VAL B 18 5.980 -9.088 -7.110 1.00 0.00 O ATOM 582 CB VAL B 18 4.610 -5.941 -7.420 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.839 -6.069 -5.913 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.049 -4.550 -7.885 1.00 0.00 C ATOM 0 H VAL B 18 4.206 -6.504 -9.831 1.00 0.00 H new ATOM 0 HA VAL B 18 6.490 -6.791 -8.031 1.00 0.00 H new ATOM 0 HB VAL B 18 3.552 -6.083 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.255 -5.311 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.529 -7.060 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.897 -5.927 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.467 -3.791 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.107 -4.410 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.886 -4.457 -8.959 1.00 0.00 H new ATOM 594 N CYS B 19 3.862 -8.769 -7.606 1.00 0.00 N ATOM 595 CA CYS B 19 3.483 -10.105 -7.061 1.00 0.00 C ATOM 596 C CYS B 19 3.837 -11.183 -8.090 1.00 0.00 C ATOM 597 O CYS B 19 4.713 -11.996 -7.874 1.00 0.00 O ATOM 598 CB CYS B 19 1.977 -10.144 -6.779 1.00 0.00 C ATOM 599 SG CYS B 19 1.412 -8.511 -6.236 1.00 0.00 S ATOM 0 H CYS B 19 3.090 -8.219 -7.984 1.00 0.00 H new ATOM 0 HA CYS B 19 4.024 -10.286 -6.132 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.437 -10.446 -7.677 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.760 -10.887 -6.012 1.00 0.00 H new ATOM 604 N GLY B 20 3.167 -11.189 -9.210 1.00 0.00 N ATOM 605 CA GLY B 20 3.471 -12.206 -10.257 1.00 0.00 C ATOM 606 C GLY B 20 2.855 -13.554 -9.874 1.00 0.00 C ATOM 607 O GLY B 20 2.032 -14.094 -10.586 1.00 0.00 O ATOM 0 H GLY B 20 2.422 -10.533 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.078 -11.878 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.550 -12.310 -10.372 1.00 0.00 H new ATOM 611 N GLU B 21 3.252 -14.108 -8.761 1.00 0.00 N ATOM 612 CA GLU B 21 2.695 -15.427 -8.345 1.00 0.00 C ATOM 613 C GLU B 21 1.436 -15.217 -7.500 1.00 0.00 C ATOM 614 O GLU B 21 0.328 -15.377 -7.972 1.00 0.00 O ATOM 615 CB GLU B 21 3.740 -16.185 -7.523 1.00 0.00 C ATOM 616 CG GLU B 21 4.997 -16.397 -8.369 1.00 0.00 C ATOM 617 CD GLU B 21 6.235 -16.325 -7.472 1.00 0.00 C ATOM 618 OE1 GLU B 21 6.238 -15.510 -6.564 1.00 0.00 O ATOM 619 OE2 GLU B 21 7.159 -17.086 -7.709 1.00 0.00 O ATOM 0 H GLU B 21 3.937 -13.705 -8.122 1.00 0.00 H new ATOM 0 HA GLU B 21 2.439 -16.004 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.986 -15.624 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.339 -17.146 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.953 -17.365 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.055 -15.638 -9.149 1.00 0.00 H new ATOM 626 N ARG B 22 1.598 -14.867 -6.254 1.00 0.00 N ATOM 627 CA ARG B 22 0.413 -14.652 -5.373 1.00 0.00 C ATOM 628 C ARG B 22 -0.672 -13.887 -6.136 1.00 0.00 C ATOM 629 O ARG B 22 -1.850 -14.061 -5.895 1.00 0.00 O ATOM 630 CB ARG B 22 0.834 -13.847 -4.143 1.00 0.00 C ATOM 631 CG ARG B 22 1.927 -14.605 -3.390 1.00 0.00 C ATOM 632 CD ARG B 22 3.116 -13.676 -3.148 1.00 0.00 C ATOM 633 NE ARG B 22 3.553 -13.788 -1.729 1.00 0.00 N ATOM 634 CZ ARG B 22 3.825 -12.711 -1.046 1.00 0.00 C ATOM 635 NH1 ARG B 22 4.973 -12.111 -1.202 1.00 0.00 N ATOM 636 NH2 ARG B 22 2.947 -12.232 -0.207 1.00 0.00 N ATOM 0 H ARG B 22 2.502 -14.720 -5.806 1.00 0.00 H new ATOM 0 HA ARG B 22 0.017 -15.619 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.199 -12.865 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.024 -13.682 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.540 -14.974 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.243 -15.476 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.938 -13.938 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.839 -12.646 -3.374 1.00 0.00 H new ATOM 0 HE ARG B 22 3.639 -14.706 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.658 -12.484 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.185 -11.269 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.049 -12.700 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.159 -11.390 0.328 1.00 0.00 H new ATOM 650 N GLY B 23 -0.287 -13.043 -7.052 1.00 0.00 N ATOM 651 CA GLY B 23 -1.302 -12.272 -7.824 1.00 0.00 C ATOM 652 C GLY B 23 -1.585 -10.944 -7.121 1.00 0.00 C ATOM 653 O GLY B 23 -0.785 -10.453 -6.349 1.00 0.00 O ATOM 0 H GLY B 23 0.684 -12.854 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.941 -12.089 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.222 -12.850 -7.913 1.00 0.00 H new ATOM 657 N PHE B 24 -2.725 -10.362 -7.379 1.00 0.00 N ATOM 658 CA PHE B 24 -3.073 -9.064 -6.726 1.00 0.00 C ATOM 659 C PHE B 24 -4.418 -8.567 -7.271 1.00 0.00 C ATOM 660 O PHE B 24 -4.907 -9.049 -8.274 1.00 0.00 O ATOM 661 CB PHE B 24 -1.955 -8.029 -6.992 1.00 0.00 C ATOM 662 CG PHE B 24 -2.301 -7.140 -8.182 1.00 0.00 C ATOM 663 CD1 PHE B 24 -3.219 -6.083 -8.032 1.00 0.00 C ATOM 664 CD2 PHE B 24 -1.712 -7.373 -9.435 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.542 -5.273 -9.128 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.037 -6.558 -10.528 1.00 0.00 C ATOM 667 CZ PHE B 24 -2.952 -5.510 -10.374 1.00 0.00 C ATOM 0 H PHE B 24 -3.433 -10.729 -8.015 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.161 -9.203 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.807 -7.413 -6.105 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.014 -8.546 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.675 -5.897 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.007 -8.182 -9.557 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.248 -4.464 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.581 -6.739 -11.490 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.203 -4.884 -11.218 1.00 0.00 H new ATOM 677 N PHE B 25 -5.017 -7.607 -6.620 1.00 0.00 N ATOM 678 CA PHE B 25 -6.325 -7.087 -7.107 1.00 0.00 C ATOM 679 C PHE B 25 -6.367 -5.566 -6.937 1.00 0.00 C ATOM 680 O PHE B 25 -6.237 -5.050 -5.846 1.00 0.00 O ATOM 681 CB PHE B 25 -7.459 -7.724 -6.301 1.00 0.00 C ATOM 682 CG PHE B 25 -7.485 -7.140 -4.907 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.491 -7.489 -3.981 1.00 0.00 C ATOM 684 CD2 PHE B 25 -8.501 -6.248 -4.540 1.00 0.00 C ATOM 685 CE1 PHE B 25 -6.515 -6.946 -2.690 1.00 0.00 C ATOM 686 CE2 PHE B 25 -8.525 -5.706 -3.248 1.00 0.00 C ATOM 687 CZ PHE B 25 -7.533 -6.055 -2.323 1.00 0.00 C ATOM 0 H PHE B 25 -4.658 -7.162 -5.775 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.445 -7.336 -8.161 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.414 -7.548 -6.797 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.320 -8.804 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.707 -8.176 -4.263 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.266 -5.978 -5.253 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.749 -7.214 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.309 -5.019 -2.965 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.552 -5.638 -1.327 1.00 0.00 H new ATOM 697 N TYR B 26 -6.551 -4.845 -8.009 1.00 0.00 N ATOM 698 CA TYR B 26 -6.604 -3.361 -7.907 1.00 0.00 C ATOM 699 C TYR B 26 -7.689 -2.960 -6.905 1.00 0.00 C ATOM 700 O TYR B 26 -8.742 -3.561 -6.844 1.00 0.00 O ATOM 701 CB TYR B 26 -6.934 -2.768 -9.278 1.00 0.00 C ATOM 702 CG TYR B 26 -6.097 -1.533 -9.511 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.716 -1.568 -9.274 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.702 -0.353 -9.960 1.00 0.00 C ATOM 705 CE1 TYR B 26 -3.940 -0.421 -9.489 1.00 0.00 C ATOM 706 CE2 TYR B 26 -5.926 0.794 -10.176 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.545 0.759 -9.940 1.00 0.00 C ATOM 708 OH TYR B 26 -3.780 1.887 -10.152 1.00 0.00 O ATOM 0 H TYR B 26 -6.667 -5.220 -8.950 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.638 -2.984 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.741 -3.503 -10.059 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.993 -2.517 -9.331 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.250 -2.478 -8.926 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.767 -0.327 -10.140 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.876 -0.447 -9.307 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.392 1.704 -10.524 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.648 2.016 -11.114 1.00 0.00 H new ATOM 718 N THR B 27 -7.441 -1.948 -6.119 1.00 0.00 N ATOM 719 CA THR B 27 -8.461 -1.511 -5.126 1.00 0.00 C ATOM 720 C THR B 27 -9.299 -0.380 -5.725 1.00 0.00 C ATOM 721 O THR B 27 -8.908 0.249 -6.689 1.00 0.00 O ATOM 722 CB THR B 27 -7.762 -1.013 -3.858 1.00 0.00 C ATOM 723 OG1 THR B 27 -6.589 -0.297 -4.216 1.00 0.00 O ATOM 724 CG2 THR B 27 -7.386 -2.205 -2.976 1.00 0.00 C ATOM 0 H THR B 27 -6.577 -1.406 -6.122 1.00 0.00 H new ATOM 0 HA THR B 27 -9.108 -2.351 -4.875 1.00 0.00 H new ATOM 0 HB THR B 27 -8.435 -0.356 -3.307 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.741 0.663 -4.090 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.889 -1.848 -2.074 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.287 -2.753 -2.701 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.714 -2.865 -3.524 1.00 0.00 H new ATOM 732 N LYS B 28 -10.447 -0.115 -5.165 1.00 0.00 N ATOM 733 CA LYS B 28 -11.307 0.975 -5.706 1.00 0.00 C ATOM 734 C LYS B 28 -12.351 1.371 -4.657 1.00 0.00 C ATOM 735 O LYS B 28 -13.526 1.123 -4.831 1.00 0.00 O ATOM 736 CB LYS B 28 -12.018 0.483 -6.970 1.00 0.00 C ATOM 737 CG LYS B 28 -12.422 1.684 -7.829 1.00 0.00 C ATOM 738 CD LYS B 28 -11.176 2.299 -8.469 1.00 0.00 C ATOM 739 CE LYS B 28 -11.328 3.821 -8.526 1.00 0.00 C ATOM 740 NZ LYS B 28 -10.055 4.464 -8.095 1.00 0.00 N ATOM 0 H LYS B 28 -10.827 -0.606 -4.356 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.688 1.839 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.361 -0.178 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.900 -0.098 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.124 1.371 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.933 2.427 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.290 2.033 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.035 1.899 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.581 4.134 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.146 4.140 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.158 5.498 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.832 4.174 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.285 4.169 -8.729 1.00 0.00 H new ATOM 754 N PRO B 29 -11.883 1.978 -3.595 1.00 0.00 N ATOM 755 CA PRO B 29 -12.751 2.424 -2.491 1.00 0.00 C ATOM 756 C PRO B 29 -13.466 3.725 -2.866 1.00 0.00 C ATOM 757 O PRO B 29 -12.854 4.678 -3.307 1.00 0.00 O ATOM 758 CB PRO B 29 -11.773 2.651 -1.337 1.00 0.00 C ATOM 759 CG PRO B 29 -10.382 2.874 -1.980 1.00 0.00 C ATOM 760 CD PRO B 29 -10.450 2.273 -3.397 1.00 0.00 C ATOM 0 HA PRO B 29 -13.535 1.708 -2.244 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.069 3.515 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.758 1.792 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.140 3.936 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.601 2.392 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.080 2.974 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.843 1.371 -3.477 1.00 0.00 H new ATOM 768 N THR B 30 -14.759 3.771 -2.693 1.00 0.00 N ATOM 769 CA THR B 30 -15.513 5.009 -3.036 1.00 0.00 C ATOM 770 C THR B 30 -15.161 6.115 -2.038 1.00 0.00 C ATOM 771 O THR B 30 -14.398 5.842 -1.126 1.00 0.00 O ATOM 772 CB THR B 30 -17.016 4.723 -2.972 1.00 0.00 C ATOM 773 OG1 THR B 30 -17.734 5.939 -3.125 1.00 0.00 O ATOM 774 CG2 THR B 30 -17.360 4.088 -1.624 1.00 0.00 C ATOM 775 OXT THR B 30 -15.660 7.215 -2.204 1.00 0.00 O ATOM 0 H THR B 30 -15.325 3.005 -2.329 1.00 0.00 H new ATOM 0 HA THR B 30 -15.246 5.331 -4.043 1.00 0.00 H new ATOM 0 HB THR B 30 -17.291 4.036 -3.773 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.121 6.696 -3.020 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.430 3.885 -1.580 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.809 3.155 -1.510 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.087 4.771 -0.820 1.00 0.00 H new TER 783 THR B 30