USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.00085) USER MOD Single : A 8 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.084) USER MOD Single : A 9 SER OG : rot 180:sc= -0.62 USER MOD Single : A 12 SER OG : rot 180:sc= -1.82! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.76) USER MOD Single : A 19 TYR OH : rot -171:sc= 0.929 USER MOD Single : A 21 ASN : amide:sc= -3.63! K(o=-3.6!,f=-1.8) USER MOD Single : B 1 PHE N :NH3+ -167:sc=-0.000956 (180deg=-0.153) USER MOD Single : B 3 ASN : amide:sc= -4.2! C(o=-4.2!,f=-7.2!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : B 5 HIS : no HE2:sc= -2.01 K(o=-2,f=-4.8!) USER MOD Single : B 9 SER OG : rot -43:sc= 0.235! USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.117 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.634! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -36:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.587 3.046 0.444 1.00 0.00 N ATOM 2 CA GLY A 1 -8.813 1.728 0.482 1.00 0.00 C ATOM 3 C GLY A 1 -7.465 1.689 1.118 1.00 0.00 C ATOM 4 O GLY A 1 -7.101 2.563 1.880 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.500 2.899 -0.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.752 3.380 1.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.036 3.757 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.438 0.996 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.699 1.386 -0.547 1.00 0.00 H new ATOM 10 N LEU A 2 -6.693 0.678 0.826 1.00 0.00 N ATOM 11 CA LEU A 2 -5.333 0.581 1.430 1.00 0.00 C ATOM 12 C LEU A 2 -4.299 1.139 0.450 1.00 0.00 C ATOM 13 O LEU A 2 -3.149 0.748 0.458 1.00 0.00 O ATOM 14 CB LEU A 2 -5.011 -0.885 1.730 1.00 0.00 C ATOM 15 CG LEU A 2 -5.025 -1.690 0.429 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.610 -1.749 -0.154 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.516 -3.110 0.716 1.00 0.00 C ATOM 0 H LEU A 2 -6.944 -0.084 0.196 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.305 1.156 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.034 -0.963 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.741 -1.292 2.429 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.692 -1.210 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.622 -2.323 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.258 -0.738 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.942 -2.229 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.527 -3.685 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.848 -3.588 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.524 -3.070 1.130 1.00 0.00 H new ATOM 29 N LEU A 3 -4.699 2.051 -0.393 1.00 0.00 N ATOM 30 CA LEU A 3 -3.737 2.634 -1.373 1.00 0.00 C ATOM 31 C LEU A 3 -3.412 4.069 -0.963 1.00 0.00 C ATOM 32 O LEU A 3 -2.404 4.624 -1.350 1.00 0.00 O ATOM 33 CB LEU A 3 -4.355 2.637 -2.779 1.00 0.00 C ATOM 34 CG LEU A 3 -5.492 1.616 -2.858 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.197 1.737 -4.211 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.923 0.204 -2.705 1.00 0.00 C ATOM 0 H LEU A 3 -5.649 2.418 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.827 2.034 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.732 3.632 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.592 2.400 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.207 1.809 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.007 1.009 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.605 2.742 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.483 1.546 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.733 -0.523 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.207 0.012 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.423 0.116 -1.741 1.00 0.00 H new ATOM 48 N GLU A 4 -4.263 4.673 -0.185 1.00 0.00 N ATOM 49 CA GLU A 4 -4.013 6.075 0.252 1.00 0.00 C ATOM 50 C GLU A 4 -2.543 6.239 0.647 1.00 0.00 C ATOM 51 O GLU A 4 -1.989 7.319 0.573 1.00 0.00 O ATOM 52 CB GLU A 4 -4.901 6.401 1.454 1.00 0.00 C ATOM 53 CG GLU A 4 -4.878 7.908 1.711 1.00 0.00 C ATOM 54 CD GLU A 4 -5.716 8.228 2.951 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.329 7.806 4.028 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.731 8.888 2.801 1.00 0.00 O ATOM 0 H GLU A 4 -5.124 4.256 0.169 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.245 6.754 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.922 6.069 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.549 5.866 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.852 8.247 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.272 8.441 0.846 1.00 0.00 H new ATOM 63 N GLN A 5 -1.907 5.181 1.067 1.00 0.00 N ATOM 64 CA GLN A 5 -0.475 5.285 1.468 1.00 0.00 C ATOM 65 C GLN A 5 0.419 4.953 0.274 1.00 0.00 C ATOM 66 O GLN A 5 1.569 5.344 0.218 1.00 0.00 O ATOM 67 CB GLN A 5 -0.190 4.301 2.605 1.00 0.00 C ATOM 68 CG GLN A 5 0.758 4.950 3.615 1.00 0.00 C ATOM 69 CD GLN A 5 0.555 4.310 4.990 1.00 0.00 C ATOM 70 OE1 GLN A 5 0.556 3.102 5.116 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.382 5.074 6.033 1.00 0.00 N ATOM 0 H GLN A 5 -2.315 4.250 1.150 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.268 6.301 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.121 4.016 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.254 3.388 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.792 4.824 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.570 6.022 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.381 6.089 5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.248 4.657 6.954 1.00 0.00 H new ATOM 80 N CYS A 6 -0.098 4.235 -0.680 1.00 0.00 N ATOM 81 CA CYS A 6 0.723 3.876 -1.872 1.00 0.00 C ATOM 82 C CYS A 6 0.364 4.807 -3.030 1.00 0.00 C ATOM 83 O CYS A 6 1.122 4.976 -3.965 1.00 0.00 O ATOM 84 CB CYS A 6 0.447 2.424 -2.275 1.00 0.00 C ATOM 85 SG CYS A 6 0.127 1.429 -0.796 1.00 0.00 S ATOM 0 H CYS A 6 -1.054 3.880 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 6 1.780 3.983 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.410 2.380 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.300 2.019 -2.820 1.00 0.00 H new ATOM 90 N CYS A 7 -0.788 5.418 -2.972 1.00 0.00 N ATOM 91 CA CYS A 7 -1.201 6.344 -4.063 1.00 0.00 C ATOM 92 C CYS A 7 -0.966 7.785 -3.610 1.00 0.00 C ATOM 93 O CYS A 7 -0.276 8.546 -4.258 1.00 0.00 O ATOM 94 CB CYS A 7 -2.685 6.141 -4.369 1.00 0.00 C ATOM 95 SG CYS A 7 -3.004 6.542 -6.105 1.00 0.00 S ATOM 0 H CYS A 7 -1.462 5.315 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.617 6.140 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.972 5.109 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.291 6.775 -3.721 1.00 0.00 H new ATOM 100 N HIS A 8 -1.529 8.163 -2.495 1.00 0.00 N ATOM 101 CA HIS A 8 -1.333 9.552 -1.995 1.00 0.00 C ATOM 102 C HIS A 8 0.045 9.663 -1.335 1.00 0.00 C ATOM 103 O HIS A 8 0.452 10.722 -0.903 1.00 0.00 O ATOM 104 CB HIS A 8 -2.420 9.886 -0.971 1.00 0.00 C ATOM 105 CG HIS A 8 -2.503 11.377 -0.796 1.00 0.00 C ATOM 106 ND1 HIS A 8 -2.895 11.940 0.400 1.00 0.00 N ATOM 107 CD2 HIS A 8 -2.244 12.400 -1.666 1.00 0.00 C ATOM 108 CE1 HIS A 8 -2.866 13.269 0.226 1.00 0.00 C ATOM 109 NE2 HIS A 8 -2.473 13.598 -1.022 1.00 0.00 N ATOM 0 H HIS A 8 -2.116 7.569 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.396 10.252 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.381 9.494 -1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.195 9.409 -0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.915 12.288 -2.688 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.125 13.987 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.367 14.536 -1.408 1.00 0.00 H new ATOM 117 N SER A 9 0.765 8.575 -1.256 1.00 0.00 N ATOM 118 CA SER A 9 2.114 8.616 -0.627 1.00 0.00 C ATOM 119 C SER A 9 2.947 7.443 -1.150 1.00 0.00 C ATOM 120 O SER A 9 2.487 6.653 -1.950 1.00 0.00 O ATOM 121 CB SER A 9 1.975 8.507 0.893 1.00 0.00 C ATOM 122 OG SER A 9 0.792 9.180 1.305 1.00 0.00 O ATOM 0 H SER A 9 0.475 7.660 -1.601 1.00 0.00 H new ATOM 0 HA SER A 9 2.606 9.556 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.934 7.460 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.845 8.945 1.382 1.00 0.00 H new ATOM 0 HG SER A 9 0.699 9.111 2.278 1.00 0.00 H new ATOM 128 N ILE A 10 4.170 7.322 -0.708 1.00 0.00 N ATOM 129 CA ILE A 10 5.025 6.198 -1.186 1.00 0.00 C ATOM 130 C ILE A 10 4.741 4.947 -0.353 1.00 0.00 C ATOM 131 O ILE A 10 4.669 4.998 0.859 1.00 0.00 O ATOM 132 CB ILE A 10 6.500 6.581 -1.044 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.858 7.627 -2.101 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.372 5.339 -1.241 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.420 9.010 -1.621 1.00 0.00 C ATOM 0 H ILE A 10 4.613 7.951 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 10 4.801 5.994 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 10 6.674 6.993 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.932 7.618 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.369 7.387 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.422 5.612 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.117 4.592 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.198 4.927 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.676 9.755 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.342 9.014 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.929 9.249 -0.687 1.00 0.00 H new ATOM 147 N CYS A 11 4.584 3.820 -0.994 1.00 0.00 N ATOM 148 CA CYS A 11 4.308 2.565 -0.241 1.00 0.00 C ATOM 149 C CYS A 11 5.542 1.663 -0.289 1.00 0.00 C ATOM 150 O CYS A 11 6.349 1.749 -1.193 1.00 0.00 O ATOM 151 CB CYS A 11 3.123 1.838 -0.878 1.00 0.00 C ATOM 152 SG CYS A 11 1.784 1.681 0.332 1.00 0.00 S ATOM 0 H CYS A 11 4.635 3.715 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 11 4.072 2.807 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.774 2.387 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.432 0.851 -1.224 1.00 0.00 H new ATOM 157 N SER A 12 5.696 0.800 0.675 1.00 0.00 N ATOM 158 CA SER A 12 6.880 -0.105 0.682 1.00 0.00 C ATOM 159 C SER A 12 6.409 -1.557 0.569 1.00 0.00 C ATOM 160 O SER A 12 5.485 -1.972 1.240 1.00 0.00 O ATOM 161 CB SER A 12 7.655 0.080 1.986 1.00 0.00 C ATOM 162 OG SER A 12 6.772 -0.095 3.086 1.00 0.00 O ATOM 0 H SER A 12 5.054 0.681 1.459 1.00 0.00 H new ATOM 0 HA SER A 12 7.528 0.135 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.472 -0.640 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.103 1.073 2.019 1.00 0.00 H new ATOM 0 HG SER A 12 7.266 0.021 3.924 1.00 0.00 H new ATOM 168 N LEU A 13 7.038 -2.332 -0.270 1.00 0.00 N ATOM 169 CA LEU A 13 6.630 -3.751 -0.421 1.00 0.00 C ATOM 170 C LEU A 13 6.493 -4.389 0.962 1.00 0.00 C ATOM 171 O LEU A 13 5.670 -5.257 1.178 1.00 0.00 O ATOM 172 CB LEU A 13 7.695 -4.491 -1.227 1.00 0.00 C ATOM 173 CG LEU A 13 8.151 -3.621 -2.399 1.00 0.00 C ATOM 174 CD1 LEU A 13 9.554 -3.081 -2.117 1.00 0.00 C ATOM 175 CD2 LEU A 13 8.175 -4.459 -3.679 1.00 0.00 C ATOM 0 H LEU A 13 7.819 -2.040 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 13 5.673 -3.810 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.545 -4.733 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.295 -5.435 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 13 7.459 -2.788 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.880 -2.461 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.537 -2.483 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.246 -3.914 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.500 -3.838 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.867 -5.292 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.175 -4.844 -3.881 1.00 0.00 H new ATOM 187 N TYR A 14 7.292 -3.963 1.902 1.00 0.00 N ATOM 188 CA TYR A 14 7.207 -4.541 3.273 1.00 0.00 C ATOM 189 C TYR A 14 5.856 -4.190 3.886 1.00 0.00 C ATOM 190 O TYR A 14 5.108 -5.048 4.311 1.00 0.00 O ATOM 191 CB TYR A 14 8.327 -3.964 4.140 1.00 0.00 C ATOM 192 CG TYR A 14 8.183 -4.471 5.555 1.00 0.00 C ATOM 193 CD1 TYR A 14 7.792 -5.796 5.789 1.00 0.00 C ATOM 194 CD2 TYR A 14 8.439 -3.616 6.635 1.00 0.00 C ATOM 195 CE1 TYR A 14 7.659 -6.266 7.102 1.00 0.00 C ATOM 196 CE2 TYR A 14 8.306 -4.085 7.949 1.00 0.00 C ATOM 197 CZ TYR A 14 7.916 -5.411 8.182 1.00 0.00 C ATOM 198 OH TYR A 14 7.783 -5.874 9.475 1.00 0.00 O ATOM 0 H TYR A 14 8.000 -3.239 1.780 1.00 0.00 H new ATOM 0 HA TYR A 14 7.312 -5.625 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.298 -4.252 3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.286 -2.875 4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.593 -6.455 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.739 -2.594 6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.358 -7.288 7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.504 -3.425 8.781 1.00 0.00 H new ATOM 0 HH TYR A 14 8.000 -5.154 10.104 1.00 0.00 H new ATOM 208 N GLN A 15 5.539 -2.933 3.929 1.00 0.00 N ATOM 209 CA GLN A 15 4.235 -2.511 4.508 1.00 0.00 C ATOM 210 C GLN A 15 3.119 -2.836 3.516 1.00 0.00 C ATOM 211 O GLN A 15 1.966 -2.958 3.877 1.00 0.00 O ATOM 212 CB GLN A 15 4.256 -1.005 4.777 1.00 0.00 C ATOM 213 CG GLN A 15 4.432 -0.754 6.275 1.00 0.00 C ATOM 214 CD GLN A 15 5.433 0.383 6.487 1.00 0.00 C ATOM 215 OE1 GLN A 15 5.147 1.524 6.181 1.00 0.00 O ATOM 216 NE2 GLN A 15 6.604 0.119 6.999 1.00 0.00 N ATOM 0 H GLN A 15 6.127 -2.173 3.587 1.00 0.00 H new ATOM 0 HA GLN A 15 4.061 -3.041 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.069 -0.537 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.329 -0.550 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.474 -0.498 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.785 -1.660 6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.844 -0.838 7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.279 0.870 7.142 1.00 0.00 H new ATOM 225 N LEU A 16 3.459 -2.986 2.268 1.00 0.00 N ATOM 226 CA LEU A 16 2.426 -3.311 1.248 1.00 0.00 C ATOM 227 C LEU A 16 2.049 -4.785 1.379 1.00 0.00 C ATOM 228 O LEU A 16 1.023 -5.222 0.898 1.00 0.00 O ATOM 229 CB LEU A 16 2.986 -3.046 -0.151 1.00 0.00 C ATOM 230 CG LEU A 16 2.081 -3.699 -1.195 1.00 0.00 C ATOM 231 CD1 LEU A 16 1.975 -2.792 -2.422 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.674 -5.049 -1.604 1.00 0.00 C ATOM 0 H LEU A 16 4.410 -2.897 1.909 1.00 0.00 H new ATOM 0 HA LEU A 16 1.544 -2.689 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.051 -1.973 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.997 -3.444 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 16 1.087 -3.850 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.329 -3.259 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.554 -1.831 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.967 -2.639 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.031 -5.518 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.667 -4.897 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.746 -5.695 -0.729 1.00 0.00 H new ATOM 244 N GLU A 17 2.875 -5.553 2.033 1.00 0.00 N ATOM 245 CA GLU A 17 2.569 -6.997 2.204 1.00 0.00 C ATOM 246 C GLU A 17 1.300 -7.145 3.047 1.00 0.00 C ATOM 247 O GLU A 17 0.730 -8.214 3.148 1.00 0.00 O ATOM 248 CB GLU A 17 3.738 -7.685 2.910 1.00 0.00 C ATOM 249 CG GLU A 17 3.937 -9.087 2.328 1.00 0.00 C ATOM 250 CD GLU A 17 5.050 -9.804 3.096 1.00 0.00 C ATOM 251 OE1 GLU A 17 4.754 -10.377 4.132 1.00 0.00 O ATOM 252 OE2 GLU A 17 6.178 -9.768 2.635 1.00 0.00 O ATOM 0 H GLU A 17 3.749 -5.241 2.456 1.00 0.00 H new ATOM 0 HA GLU A 17 2.415 -7.459 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.647 -7.097 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.543 -7.749 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.009 -9.655 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.194 -9.021 1.271 1.00 0.00 H new ATOM 259 N ASN A 18 0.852 -6.077 3.651 1.00 0.00 N ATOM 260 CA ASN A 18 -0.377 -6.151 4.488 1.00 0.00 C ATOM 261 C ASN A 18 -1.610 -6.229 3.583 1.00 0.00 C ATOM 262 O ASN A 18 -2.697 -6.542 4.026 1.00 0.00 O ATOM 263 CB ASN A 18 -0.472 -4.901 5.365 1.00 0.00 C ATOM 264 CG ASN A 18 -0.711 -5.310 6.820 1.00 0.00 C ATOM 265 OD1 ASN A 18 -1.385 -6.286 7.085 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.182 -4.602 7.779 1.00 0.00 N ATOM 0 H ASN A 18 1.286 -5.155 3.600 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.332 -7.039 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.446 -4.319 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.284 -4.262 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.334 -4.867 8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.384 -3.783 7.556 1.00 0.00 H new ATOM 273 N TYR A 19 -1.451 -5.945 2.319 1.00 0.00 N ATOM 274 CA TYR A 19 -2.617 -6.002 1.391 1.00 0.00 C ATOM 275 C TYR A 19 -2.757 -7.417 0.828 1.00 0.00 C ATOM 276 O TYR A 19 -3.548 -7.666 -0.060 1.00 0.00 O ATOM 277 CB TYR A 19 -2.405 -5.020 0.237 1.00 0.00 C ATOM 278 CG TYR A 19 -1.824 -3.731 0.763 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.106 -3.315 2.071 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.002 -2.948 -0.059 1.00 0.00 C ATOM 281 CE1 TYR A 19 -1.565 -2.117 2.557 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.463 -1.750 0.426 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.744 -1.334 1.734 1.00 0.00 C ATOM 284 OH TYR A 19 -0.211 -0.154 2.212 1.00 0.00 O ATOM 0 H TYR A 19 -0.566 -5.676 1.889 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.522 -5.734 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.735 -5.455 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.353 -4.824 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.740 -3.917 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.784 -3.269 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.781 -1.797 3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.169 -1.147 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 19 0.214 0.335 1.476 1.00 0.00 H new ATOM 294 N CYS A 20 -1.994 -8.345 1.333 1.00 0.00 N ATOM 295 CA CYS A 20 -2.083 -9.741 0.821 1.00 0.00 C ATOM 296 C CYS A 20 -2.970 -10.570 1.751 1.00 0.00 C ATOM 297 O CYS A 20 -3.136 -10.252 2.911 1.00 0.00 O ATOM 298 CB CYS A 20 -0.681 -10.349 0.768 1.00 0.00 C ATOM 299 SG CYS A 20 -0.798 -12.110 0.375 1.00 0.00 S ATOM 0 H CYS A 20 -1.313 -8.198 2.078 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.516 -9.738 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.080 -9.837 0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.178 -10.212 1.725 1.00 0.00 H new ATOM 304 N ASN A 21 -3.543 -11.631 1.251 1.00 0.00 N ATOM 305 CA ASN A 21 -4.417 -12.476 2.102 1.00 0.00 C ATOM 306 C ASN A 21 -3.751 -12.699 3.464 1.00 0.00 C ATOM 307 O ASN A 21 -4.470 -12.926 4.422 1.00 0.00 O ATOM 308 CB ASN A 21 -4.647 -13.817 1.395 1.00 0.00 C ATOM 309 CG ASN A 21 -3.457 -14.751 1.631 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.474 -15.557 2.542 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.416 -14.678 0.846 1.00 0.00 N ATOM 312 OXT ASN A 21 -2.534 -12.638 3.523 1.00 0.00 O ATOM 0 H ASN A 21 -3.441 -11.947 0.287 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.375 -11.982 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.561 -14.280 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.784 -13.654 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.619 -15.296 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.400 -14.003 0.082 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 10.548 0.465 -7.601 1.00 0.00 N ATOM 321 CA PHE B 1 10.591 -0.543 -6.504 1.00 0.00 C ATOM 322 C PHE B 1 10.622 0.173 -5.158 1.00 0.00 C ATOM 323 O PHE B 1 10.007 -0.248 -4.200 1.00 0.00 O ATOM 324 CB PHE B 1 11.846 -1.404 -6.653 1.00 0.00 C ATOM 325 CG PHE B 1 11.510 -2.843 -6.341 1.00 0.00 C ATOM 326 CD1 PHE B 1 10.778 -3.608 -7.259 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.930 -3.412 -5.132 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.468 -4.944 -6.968 1.00 0.00 C ATOM 329 CE2 PHE B 1 11.620 -4.748 -4.841 1.00 0.00 C ATOM 330 CZ PHE B 1 10.889 -5.514 -5.758 1.00 0.00 C ATOM 0 H1 PHE B 1 10.307 -0.006 -8.496 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.829 1.184 -7.384 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.478 0.921 -7.690 1.00 0.00 H new ATOM 0 HA PHE B 1 9.707 -1.178 -6.558 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.237 -1.323 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.626 -1.048 -5.981 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.453 -3.169 -8.190 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.493 -2.822 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.905 -5.534 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.945 -5.187 -3.909 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.650 -6.543 -5.533 1.00 0.00 H new ATOM 342 N VAL B 2 11.337 1.254 -5.086 1.00 0.00 N ATOM 343 CA VAL B 2 11.420 2.014 -3.806 1.00 0.00 C ATOM 344 C VAL B 2 11.143 3.495 -4.072 1.00 0.00 C ATOM 345 O VAL B 2 11.395 4.000 -5.149 1.00 0.00 O ATOM 346 CB VAL B 2 12.819 1.857 -3.207 1.00 0.00 C ATOM 347 CG1 VAL B 2 13.839 2.563 -4.102 1.00 0.00 C ATOM 348 CG2 VAL B 2 12.847 2.482 -1.811 1.00 0.00 C ATOM 0 H VAL B 2 11.872 1.649 -5.860 1.00 0.00 H new ATOM 0 HA VAL B 2 10.680 1.626 -3.106 1.00 0.00 H new ATOM 0 HB VAL B 2 13.069 0.798 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.836 2.451 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.818 2.119 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.591 3.622 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.843 2.371 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.598 3.541 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.120 1.980 -1.173 1.00 0.00 H new ATOM 358 N ASN B 3 10.628 4.196 -3.100 1.00 0.00 N ATOM 359 CA ASN B 3 10.339 5.643 -3.299 1.00 0.00 C ATOM 360 C ASN B 3 9.421 5.819 -4.509 1.00 0.00 C ATOM 361 O ASN B 3 9.664 6.640 -5.371 1.00 0.00 O ATOM 362 CB ASN B 3 11.650 6.394 -3.541 1.00 0.00 C ATOM 363 CG ASN B 3 12.704 5.913 -2.541 1.00 0.00 C ATOM 364 OD1 ASN B 3 12.373 5.382 -1.500 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.968 6.078 -2.815 1.00 0.00 N ATOM 0 H ASN B 3 10.395 3.829 -2.177 1.00 0.00 H new ATOM 0 HA ASN B 3 9.849 6.041 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.996 6.224 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.493 7.467 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.678 5.761 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.246 6.524 -3.689 1.00 0.00 H new ATOM 372 N GLN B 4 8.367 5.053 -4.583 1.00 0.00 N ATOM 373 CA GLN B 4 7.436 5.177 -5.739 1.00 0.00 C ATOM 374 C GLN B 4 5.991 5.082 -5.246 1.00 0.00 C ATOM 375 O GLN B 4 5.692 4.384 -4.298 1.00 0.00 O ATOM 376 CB GLN B 4 7.709 4.048 -6.735 1.00 0.00 C ATOM 377 CG GLN B 4 6.691 4.113 -7.876 1.00 0.00 C ATOM 378 CD GLN B 4 7.032 3.053 -8.924 1.00 0.00 C ATOM 379 OE1 GLN B 4 7.130 1.883 -8.612 1.00 0.00 O ATOM 380 NE2 GLN B 4 7.218 3.415 -10.165 1.00 0.00 N ATOM 0 H GLN B 4 8.111 4.347 -3.893 1.00 0.00 H new ATOM 0 HA GLN B 4 7.590 6.140 -6.227 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.721 4.136 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.646 3.083 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.685 3.948 -7.490 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.700 5.104 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.136 4.397 -10.428 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.445 2.716 -10.872 1.00 0.00 H new ATOM 389 N HIS B 5 5.091 5.780 -5.884 1.00 0.00 N ATOM 390 CA HIS B 5 3.664 5.729 -5.456 1.00 0.00 C ATOM 391 C HIS B 5 2.956 4.579 -6.177 1.00 0.00 C ATOM 392 O HIS B 5 2.829 4.574 -7.385 1.00 0.00 O ATOM 393 CB HIS B 5 2.979 7.051 -5.807 1.00 0.00 C ATOM 394 CG HIS B 5 3.586 8.161 -4.993 1.00 0.00 C ATOM 395 ND1 HIS B 5 2.847 8.854 -4.057 1.00 0.00 N ATOM 396 CD2 HIS B 5 4.851 8.682 -4.985 1.00 0.00 C ATOM 397 CE1 HIS B 5 3.671 9.763 -3.514 1.00 0.00 C ATOM 398 NE2 HIS B 5 4.907 9.695 -4.050 1.00 0.00 N ATOM 0 H HIS B 5 5.283 6.384 -6.684 1.00 0.00 H new ATOM 0 HA HIS B 5 3.613 5.568 -4.379 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.093 7.261 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.909 6.983 -5.608 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.865 8.705 -3.823 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.670 8.354 -5.608 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.381 10.462 -2.744 1.00 0.00 H new ATOM 406 N LEU B 6 2.496 3.600 -5.444 1.00 0.00 N ATOM 407 CA LEU B 6 1.800 2.450 -6.083 1.00 0.00 C ATOM 408 C LEU B 6 0.307 2.760 -6.216 1.00 0.00 C ATOM 409 O LEU B 6 -0.315 3.264 -5.303 1.00 0.00 O ATOM 410 CB LEU B 6 1.987 1.205 -5.214 1.00 0.00 C ATOM 411 CG LEU B 6 3.093 0.326 -5.795 1.00 0.00 C ATOM 412 CD1 LEU B 6 4.296 1.198 -6.158 1.00 0.00 C ATOM 413 CD2 LEU B 6 3.515 -0.712 -4.754 1.00 0.00 C ATOM 0 H LEU B 6 2.573 3.549 -4.428 1.00 0.00 H new ATOM 0 HA LEU B 6 2.219 2.274 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.240 1.497 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.054 0.644 -5.162 1.00 0.00 H new ATOM 0 HG LEU B 6 2.726 -0.180 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.087 0.573 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.997 1.942 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.663 1.702 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.304 -1.341 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.884 -0.204 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.658 -1.332 -4.490 1.00 0.00 H new ATOM 425 N CYS B 7 -0.271 2.465 -7.348 1.00 0.00 N ATOM 426 CA CYS B 7 -1.722 2.744 -7.538 1.00 0.00 C ATOM 427 C CYS B 7 -2.230 1.976 -8.760 1.00 0.00 C ATOM 428 O CYS B 7 -1.573 1.906 -9.780 1.00 0.00 O ATOM 429 CB CYS B 7 -1.929 4.244 -7.755 1.00 0.00 C ATOM 430 SG CYS B 7 -3.464 4.764 -6.948 1.00 0.00 S ATOM 0 H CYS B 7 0.199 2.043 -8.149 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.274 2.427 -6.653 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.085 4.801 -7.348 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.973 4.465 -8.821 1.00 0.00 H new ATOM 435 N GLY B 8 -3.396 1.398 -8.665 1.00 0.00 N ATOM 436 CA GLY B 8 -3.946 0.634 -9.820 1.00 0.00 C ATOM 437 C GLY B 8 -3.474 -0.820 -9.741 1.00 0.00 C ATOM 438 O GLY B 8 -3.662 -1.490 -8.747 1.00 0.00 O ATOM 0 H GLY B 8 -3.992 1.422 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.035 0.675 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.618 1.084 -10.757 1.00 0.00 H new ATOM 442 N SER B 9 -2.860 -1.310 -10.784 1.00 0.00 N ATOM 443 CA SER B 9 -2.374 -2.720 -10.767 1.00 0.00 C ATOM 444 C SER B 9 -0.935 -2.761 -10.250 1.00 0.00 C ATOM 445 O SER B 9 -0.344 -3.814 -10.116 1.00 0.00 O ATOM 446 CB SER B 9 -2.419 -3.292 -12.183 1.00 0.00 C ATOM 447 OG SER B 9 -1.712 -4.525 -12.214 1.00 0.00 O ATOM 0 H SER B 9 -2.674 -0.796 -11.645 1.00 0.00 H new ATOM 0 HA SER B 9 -3.012 -3.313 -10.112 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.453 -3.444 -12.493 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.975 -2.587 -12.887 1.00 0.00 H new ATOM 0 HG SER B 9 -0.877 -4.436 -11.709 1.00 0.00 H new ATOM 453 N ASP B 10 -0.367 -1.624 -9.955 1.00 0.00 N ATOM 454 CA ASP B 10 1.030 -1.600 -9.447 1.00 0.00 C ATOM 455 C ASP B 10 1.077 -2.297 -8.090 1.00 0.00 C ATOM 456 O ASP B 10 2.111 -2.755 -7.647 1.00 0.00 O ATOM 457 CB ASP B 10 1.488 -0.150 -9.301 1.00 0.00 C ATOM 458 CG ASP B 10 2.355 0.236 -10.501 1.00 0.00 C ATOM 459 OD1 ASP B 10 3.146 -0.590 -10.925 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.213 1.351 -10.975 1.00 0.00 O ATOM 0 H ASP B 10 -0.812 -0.711 -10.045 1.00 0.00 H new ATOM 0 HA ASP B 10 1.690 -2.116 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.623 0.511 -9.236 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.053 -0.027 -8.377 1.00 0.00 H new ATOM 465 N LEU B 11 -0.043 -2.385 -7.431 1.00 0.00 N ATOM 466 CA LEU B 11 -0.085 -3.051 -6.111 1.00 0.00 C ATOM 467 C LEU B 11 0.063 -4.561 -6.300 1.00 0.00 C ATOM 468 O LEU B 11 0.820 -5.213 -5.610 1.00 0.00 O ATOM 469 CB LEU B 11 -1.433 -2.755 -5.461 1.00 0.00 C ATOM 470 CG LEU B 11 -1.457 -1.319 -4.938 1.00 0.00 C ATOM 471 CD1 LEU B 11 -2.908 -0.879 -4.751 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.728 -1.247 -3.595 1.00 0.00 C ATOM 0 H LEU B 11 -0.937 -2.019 -7.758 1.00 0.00 H new ATOM 0 HA LEU B 11 0.725 -2.684 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.235 -2.901 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.612 -3.452 -4.642 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.960 -0.663 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.933 0.145 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.430 -0.930 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.399 -1.538 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.747 -0.222 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.223 -1.901 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.306 -1.567 -3.725 1.00 0.00 H new ATOM 484 N VAL B 12 -0.658 -5.122 -7.234 1.00 0.00 N ATOM 485 CA VAL B 12 -0.559 -6.589 -7.463 1.00 0.00 C ATOM 486 C VAL B 12 0.846 -6.932 -7.932 1.00 0.00 C ATOM 487 O VAL B 12 1.230 -8.082 -7.959 1.00 0.00 O ATOM 488 CB VAL B 12 -1.565 -7.017 -8.526 1.00 0.00 C ATOM 489 CG1 VAL B 12 -2.944 -6.490 -8.147 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.152 -6.444 -9.882 1.00 0.00 C ATOM 0 H VAL B 12 -1.308 -4.628 -7.845 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.775 -7.113 -6.532 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.592 -8.105 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.669 -6.792 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.236 -6.898 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.914 -5.402 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.872 -6.751 -10.641 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.126 -5.356 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.163 -6.817 -10.148 1.00 0.00 H new ATOM 500 N GLU B 13 1.625 -5.948 -8.284 1.00 0.00 N ATOM 501 CA GLU B 13 3.014 -6.228 -8.729 1.00 0.00 C ATOM 502 C GLU B 13 3.875 -6.367 -7.482 1.00 0.00 C ATOM 503 O GLU B 13 4.555 -7.356 -7.283 1.00 0.00 O ATOM 504 CB GLU B 13 3.527 -5.074 -9.591 1.00 0.00 C ATOM 505 CG GLU B 13 4.455 -5.625 -10.675 1.00 0.00 C ATOM 506 CD GLU B 13 4.130 -4.959 -12.012 1.00 0.00 C ATOM 507 OE1 GLU B 13 2.957 -4.763 -12.285 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.060 -4.656 -12.742 1.00 0.00 O ATOM 0 H GLU B 13 1.358 -4.963 -8.282 1.00 0.00 H new ATOM 0 HA GLU B 13 3.050 -7.141 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.690 -4.546 -10.047 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.060 -4.352 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.495 -5.439 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.335 -6.705 -10.756 1.00 0.00 H new ATOM 515 N ALA B 14 3.821 -5.392 -6.618 1.00 0.00 N ATOM 516 CA ALA B 14 4.600 -5.479 -5.362 1.00 0.00 C ATOM 517 C ALA B 14 4.068 -6.675 -4.575 1.00 0.00 C ATOM 518 O ALA B 14 4.813 -7.437 -3.989 1.00 0.00 O ATOM 519 CB ALA B 14 4.406 -4.194 -4.558 1.00 0.00 C ATOM 0 H ALA B 14 3.270 -4.541 -6.731 1.00 0.00 H new ATOM 0 HA ALA B 14 5.663 -5.603 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.978 -4.254 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.752 -3.342 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.349 -4.067 -4.324 1.00 0.00 H new ATOM 525 N LEU B 15 2.773 -6.855 -4.585 1.00 0.00 N ATOM 526 CA LEU B 15 2.176 -8.011 -3.868 1.00 0.00 C ATOM 527 C LEU B 15 2.573 -9.287 -4.600 1.00 0.00 C ATOM 528 O LEU B 15 2.923 -10.284 -4.003 1.00 0.00 O ATOM 529 CB LEU B 15 0.651 -7.873 -3.852 1.00 0.00 C ATOM 530 CG LEU B 15 0.262 -6.593 -3.112 1.00 0.00 C ATOM 531 CD1 LEU B 15 -0.917 -5.925 -3.823 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.140 -6.939 -1.675 1.00 0.00 C ATOM 0 H LEU B 15 2.105 -6.248 -5.061 1.00 0.00 H new ATOM 0 HA LEU B 15 2.536 -8.044 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.267 -7.847 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.202 -8.738 -3.364 1.00 0.00 H new ATOM 0 HG LEU B 15 1.111 -5.910 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.192 -5.013 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.633 -5.679 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.767 -6.607 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.418 -6.028 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.988 -7.623 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.700 -7.413 -1.166 1.00 0.00 H new ATOM 544 N TYR B 16 2.529 -9.248 -5.897 1.00 0.00 N ATOM 545 CA TYR B 16 2.915 -10.442 -6.699 1.00 0.00 C ATOM 546 C TYR B 16 4.158 -11.094 -6.101 1.00 0.00 C ATOM 547 O TYR B 16 4.116 -12.175 -5.548 1.00 0.00 O ATOM 548 CB TYR B 16 3.269 -10.006 -8.120 1.00 0.00 C ATOM 549 CG TYR B 16 2.495 -10.836 -9.110 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.659 -12.226 -9.137 1.00 0.00 C ATOM 551 CD2 TYR B 16 1.610 -10.216 -10.000 1.00 0.00 C ATOM 552 CE1 TYR B 16 1.936 -12.999 -10.055 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.888 -10.987 -10.920 1.00 0.00 C ATOM 554 CZ TYR B 16 1.050 -12.379 -10.948 1.00 0.00 C ATOM 555 OH TYR B 16 0.337 -13.137 -11.852 1.00 0.00 O ATOM 0 H TYR B 16 2.241 -8.436 -6.443 1.00 0.00 H new ATOM 0 HA TYR B 16 2.080 -11.142 -6.700 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.037 -8.950 -8.256 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.339 -10.122 -8.291 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.343 -12.703 -8.450 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.484 -9.144 -9.977 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.061 -14.072 -10.075 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.206 -10.509 -11.608 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.231 -12.551 -12.395 1.00 0.00 H new ATOM 565 N LEU B 17 5.273 -10.443 -6.257 1.00 0.00 N ATOM 566 CA LEU B 17 6.559 -10.995 -5.760 1.00 0.00 C ATOM 567 C LEU B 17 6.488 -11.371 -4.272 1.00 0.00 C ATOM 568 O LEU B 17 7.003 -12.396 -3.872 1.00 0.00 O ATOM 569 CB LEU B 17 7.653 -9.950 -5.971 1.00 0.00 C ATOM 570 CG LEU B 17 9.006 -10.642 -6.171 1.00 0.00 C ATOM 571 CD1 LEU B 17 9.138 -11.825 -5.208 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.106 -11.150 -7.611 1.00 0.00 C ATOM 0 H LEU B 17 5.348 -9.535 -6.716 1.00 0.00 H new ATOM 0 HA LEU B 17 6.779 -11.906 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.418 -9.335 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.700 -9.282 -5.111 1.00 0.00 H new ATOM 0 HG LEU B 17 9.805 -9.928 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.103 -12.310 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.067 -11.468 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.338 -12.541 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.067 -11.643 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.301 -11.860 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.021 -10.310 -8.300 1.00 0.00 H new ATOM 584 N VAL B 18 5.884 -10.564 -3.436 1.00 0.00 N ATOM 585 CA VAL B 18 5.843 -10.933 -1.988 1.00 0.00 C ATOM 586 C VAL B 18 4.877 -12.091 -1.772 1.00 0.00 C ATOM 587 O VAL B 18 5.203 -13.081 -1.147 1.00 0.00 O ATOM 588 CB VAL B 18 5.402 -9.734 -1.151 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.407 -8.600 -1.323 1.00 0.00 C ATOM 590 CG2 VAL B 18 4.028 -9.262 -1.612 1.00 0.00 C ATOM 0 H VAL B 18 5.428 -9.686 -3.685 1.00 0.00 H new ATOM 0 HA VAL B 18 6.843 -11.236 -1.677 1.00 0.00 H new ATOM 0 HB VAL B 18 5.352 -10.026 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.094 -7.743 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.391 -8.933 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.455 -8.313 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.717 -8.407 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.076 -8.971 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.307 -10.070 -1.492 1.00 0.00 H new ATOM 600 N CYS B 19 3.698 -11.975 -2.286 1.00 0.00 N ATOM 601 CA CYS B 19 2.700 -13.065 -2.124 1.00 0.00 C ATOM 602 C CYS B 19 2.553 -13.812 -3.445 1.00 0.00 C ATOM 603 O CYS B 19 2.809 -14.996 -3.533 1.00 0.00 O ATOM 604 CB CYS B 19 1.354 -12.467 -1.720 1.00 0.00 C ATOM 605 SG CYS B 19 1.117 -12.669 0.063 1.00 0.00 S ATOM 0 H CYS B 19 3.374 -11.167 -2.817 1.00 0.00 H new ATOM 0 HA CYS B 19 3.034 -13.756 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.319 -11.410 -1.985 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.547 -12.959 -2.263 1.00 0.00 H new ATOM 610 N GLY B 20 2.149 -13.127 -4.477 1.00 0.00 N ATOM 611 CA GLY B 20 1.990 -13.792 -5.797 1.00 0.00 C ATOM 612 C GLY B 20 1.189 -15.085 -5.628 1.00 0.00 C ATOM 613 O GLY B 20 -0.024 -15.088 -5.690 1.00 0.00 O ATOM 0 H GLY B 20 1.922 -12.133 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.480 -13.125 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.968 -14.012 -6.225 1.00 0.00 H new ATOM 617 N GLU B 21 1.859 -16.186 -5.416 1.00 0.00 N ATOM 618 CA GLU B 21 1.136 -17.478 -5.244 1.00 0.00 C ATOM 619 C GLU B 21 0.196 -17.384 -4.040 1.00 0.00 C ATOM 620 O GLU B 21 -0.690 -18.197 -3.868 1.00 0.00 O ATOM 621 CB GLU B 21 2.150 -18.601 -5.011 1.00 0.00 C ATOM 622 CG GLU B 21 1.989 -19.671 -6.094 1.00 0.00 C ATOM 623 CD GLU B 21 2.733 -20.940 -5.671 1.00 0.00 C ATOM 624 OE1 GLU B 21 2.930 -21.118 -4.481 1.00 0.00 O ATOM 625 OE2 GLU B 21 3.092 -21.711 -6.546 1.00 0.00 O ATOM 0 H GLU B 21 2.875 -16.246 -5.355 1.00 0.00 H new ATOM 0 HA GLU B 21 0.555 -17.690 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.163 -18.200 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.000 -19.041 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.933 -19.890 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.382 -19.305 -7.043 1.00 0.00 H new ATOM 632 N ARG B 22 0.384 -16.400 -3.205 1.00 0.00 N ATOM 633 CA ARG B 22 -0.494 -16.255 -2.013 1.00 0.00 C ATOM 634 C ARG B 22 -1.797 -15.558 -2.415 1.00 0.00 C ATOM 635 O ARG B 22 -2.656 -15.303 -1.593 1.00 0.00 O ATOM 636 CB ARG B 22 0.229 -15.417 -0.959 1.00 0.00 C ATOM 637 CG ARG B 22 0.969 -16.342 0.009 1.00 0.00 C ATOM 638 CD ARG B 22 2.191 -16.937 -0.694 1.00 0.00 C ATOM 639 NE ARG B 22 3.240 -17.257 0.317 1.00 0.00 N ATOM 640 CZ ARG B 22 2.998 -18.128 1.258 1.00 0.00 C ATOM 641 NH1 ARG B 22 2.870 -19.392 0.959 1.00 0.00 N ATOM 642 NH2 ARG B 22 2.888 -17.735 2.498 1.00 0.00 N ATOM 0 H ARG B 22 1.110 -15.689 -3.298 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.725 -17.240 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.933 -14.738 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.487 -14.801 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.279 -15.787 0.895 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.306 -17.138 0.347 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.908 -17.838 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.581 -16.231 -1.428 1.00 0.00 H new ATOM 0 HE ARG B 22 4.148 -16.794 0.273 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.959 -19.698 -0.010 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.681 -20.073 1.694 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.991 -16.747 2.731 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.699 -18.416 3.234 1.00 0.00 H new ATOM 656 N GLY B 23 -1.953 -15.248 -3.673 1.00 0.00 N ATOM 657 CA GLY B 23 -3.201 -14.570 -4.125 1.00 0.00 C ATOM 658 C GLY B 23 -3.427 -13.305 -3.295 1.00 0.00 C ATOM 659 O GLY B 23 -4.239 -13.280 -2.391 1.00 0.00 O ATOM 0 H GLY B 23 -1.270 -15.435 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.126 -14.315 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.052 -15.243 -4.019 1.00 0.00 H new ATOM 663 N PHE B 24 -2.716 -12.254 -3.596 1.00 0.00 N ATOM 664 CA PHE B 24 -2.885 -10.991 -2.833 1.00 0.00 C ATOM 665 C PHE B 24 -4.317 -10.480 -3.004 1.00 0.00 C ATOM 666 O PHE B 24 -4.972 -10.756 -3.989 1.00 0.00 O ATOM 667 CB PHE B 24 -1.902 -9.954 -3.372 1.00 0.00 C ATOM 668 CG PHE B 24 -1.831 -10.055 -4.877 1.00 0.00 C ATOM 669 CD1 PHE B 24 -2.841 -9.485 -5.666 1.00 0.00 C ATOM 670 CD2 PHE B 24 -0.760 -10.723 -5.486 1.00 0.00 C ATOM 671 CE1 PHE B 24 -2.777 -9.583 -7.062 1.00 0.00 C ATOM 672 CE2 PHE B 24 -0.698 -10.821 -6.882 1.00 0.00 C ATOM 673 CZ PHE B 24 -1.706 -10.251 -7.670 1.00 0.00 C ATOM 0 H PHE B 24 -2.022 -12.218 -4.342 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.692 -11.167 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.218 -8.953 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.914 -10.116 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.667 -8.971 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.018 -11.162 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.554 -9.143 -7.670 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.127 -11.336 -7.351 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.658 -10.326 -8.746 1.00 0.00 H new ATOM 683 N PHE B 25 -4.812 -9.737 -2.050 1.00 0.00 N ATOM 684 CA PHE B 25 -6.204 -9.214 -2.160 1.00 0.00 C ATOM 685 C PHE B 25 -6.177 -7.684 -2.191 1.00 0.00 C ATOM 686 O PHE B 25 -6.852 -7.027 -1.423 1.00 0.00 O ATOM 687 CB PHE B 25 -7.021 -9.688 -0.955 1.00 0.00 C ATOM 688 CG PHE B 25 -8.381 -9.030 -0.970 1.00 0.00 C ATOM 689 CD1 PHE B 25 -9.302 -9.341 -1.980 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.725 -8.111 0.031 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.564 -8.732 -1.989 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.987 -7.503 0.022 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.907 -7.814 -0.988 1.00 0.00 C ATOM 0 H PHE B 25 -4.313 -9.470 -1.201 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.660 -9.585 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.131 -10.772 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.498 -9.443 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.039 -10.050 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.016 -7.871 0.810 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.273 -8.971 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.251 -6.795 0.793 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.880 -7.346 -0.995 1.00 0.00 H new ATOM 703 N TYR B 26 -5.406 -7.107 -3.072 1.00 0.00 N ATOM 704 CA TYR B 26 -5.345 -5.629 -3.146 1.00 0.00 C ATOM 705 C TYR B 26 -6.739 -5.075 -3.452 1.00 0.00 C ATOM 706 O TYR B 26 -7.742 -5.660 -3.097 1.00 0.00 O ATOM 707 CB TYR B 26 -4.361 -5.224 -4.251 1.00 0.00 C ATOM 708 CG TYR B 26 -5.030 -5.301 -5.606 1.00 0.00 C ATOM 709 CD1 TYR B 26 -5.885 -6.370 -5.906 1.00 0.00 C ATOM 710 CD2 TYR B 26 -4.794 -4.303 -6.562 1.00 0.00 C ATOM 711 CE1 TYR B 26 -6.505 -6.440 -7.161 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.415 -4.373 -7.816 1.00 0.00 C ATOM 713 CZ TYR B 26 -6.270 -5.441 -8.116 1.00 0.00 C ATOM 714 OH TYR B 26 -6.881 -5.510 -9.352 1.00 0.00 O ATOM 0 H TYR B 26 -4.817 -7.600 -3.743 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.005 -5.222 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.001 -4.211 -4.073 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.491 -5.880 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.066 -7.140 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.133 -3.480 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.164 -7.264 -7.392 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.234 -3.603 -8.552 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.612 -4.739 -9.894 1.00 0.00 H new ATOM 724 N THR B 27 -6.806 -3.953 -4.108 1.00 0.00 N ATOM 725 CA THR B 27 -8.128 -3.360 -4.437 1.00 0.00 C ATOM 726 C THR B 27 -8.091 -2.764 -5.844 1.00 0.00 C ATOM 727 O THR B 27 -7.089 -2.820 -6.529 1.00 0.00 O ATOM 728 CB THR B 27 -8.446 -2.266 -3.422 1.00 0.00 C ATOM 729 OG1 THR B 27 -9.378 -1.353 -3.984 1.00 0.00 O ATOM 730 CG2 THR B 27 -7.161 -1.527 -3.049 1.00 0.00 C ATOM 0 H THR B 27 -5.999 -3.420 -4.431 1.00 0.00 H new ATOM 0 HA THR B 27 -8.897 -4.132 -4.400 1.00 0.00 H new ATOM 0 HB THR B 27 -8.877 -2.714 -2.527 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.583 -0.651 -3.331 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.388 -0.745 -2.324 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.450 -2.230 -2.614 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.727 -1.078 -3.942 1.00 0.00 H new ATOM 738 N LYS B 28 -9.181 -2.195 -6.284 1.00 0.00 N ATOM 739 CA LYS B 28 -9.214 -1.599 -7.648 1.00 0.00 C ATOM 740 C LYS B 28 -9.235 -0.067 -7.536 1.00 0.00 C ATOM 741 O LYS B 28 -9.131 0.474 -6.454 1.00 0.00 O ATOM 742 CB LYS B 28 -10.463 -2.091 -8.381 1.00 0.00 C ATOM 743 CG LYS B 28 -10.062 -2.797 -9.679 1.00 0.00 C ATOM 744 CD LYS B 28 -10.572 -4.239 -9.655 1.00 0.00 C ATOM 745 CE LYS B 28 -9.977 -5.011 -10.834 1.00 0.00 C ATOM 746 NZ LYS B 28 -10.931 -6.070 -11.266 1.00 0.00 N ATOM 0 H LYS B 28 -10.050 -2.118 -5.756 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.328 -1.901 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.024 -2.775 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.120 -1.250 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.477 -2.268 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.978 -2.785 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.295 -4.718 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.661 -4.252 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.772 -4.331 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.026 -5.459 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.527 -6.595 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.105 -6.724 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.828 -5.632 -11.556 1.00 0.00 H new ATOM 760 N PRO B 29 -9.349 0.583 -8.667 1.00 0.00 N ATOM 761 CA PRO B 29 -9.362 2.049 -8.752 1.00 0.00 C ATOM 762 C PRO B 29 -10.783 2.586 -8.553 1.00 0.00 C ATOM 763 O PRO B 29 -11.596 2.566 -9.456 1.00 0.00 O ATOM 764 CB PRO B 29 -8.868 2.316 -10.178 1.00 0.00 C ATOM 765 CG PRO B 29 -9.148 1.024 -10.993 1.00 0.00 C ATOM 766 CD PRO B 29 -9.468 -0.085 -9.972 1.00 0.00 C ATOM 0 HA PRO B 29 -8.751 2.534 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.387 3.170 -10.614 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -7.804 2.554 -10.182 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.983 1.172 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.283 0.754 -11.599 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.469 -0.489 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.771 -0.919 -10.058 1.00 0.00 H new ATOM 774 N THR B 30 -11.088 3.062 -7.378 1.00 0.00 N ATOM 775 CA THR B 30 -12.455 3.598 -7.121 1.00 0.00 C ATOM 776 C THR B 30 -12.558 5.022 -7.671 1.00 0.00 C ATOM 777 O THR B 30 -13.651 5.564 -7.653 1.00 0.00 O ATOM 778 CB THR B 30 -12.721 3.611 -5.615 1.00 0.00 C ATOM 779 OG1 THR B 30 -14.066 4.000 -5.376 1.00 0.00 O ATOM 780 CG2 THR B 30 -11.774 4.604 -4.936 1.00 0.00 C ATOM 781 OXT THR B 30 -11.543 5.546 -8.099 1.00 0.00 O ATOM 0 H THR B 30 -10.450 3.103 -6.584 1.00 0.00 H new ATOM 0 HA THR B 30 -13.192 2.965 -7.615 1.00 0.00 H new ATOM 0 HB THR B 30 -12.553 2.614 -5.208 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.331 4.679 -6.031 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.964 4.613 -3.863 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.742 4.306 -5.119 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.941 5.602 -5.342 1.00 0.00 H new TER 789 THR B 30