USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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+ -162:sc= 1.02 (180deg=0.78) USER MOD Single : A 5 GLN : amide:sc= -0.0843 K(o=-0.084,f=-2.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -160:sc= -0.227 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00652 K(o=-0.0065,f=-1.4) USER MOD Single : A 18 ASN : amide:sc= 0.0941 X(o=0.094,f=0) USER MOD Single : A 19 TYR OH : rot 45:sc= 1.18 USER MOD Single : A 21 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.054) USER MOD Single : B 1 PHE N :NH3+ 135:sc= 0.0962 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -1.29 F(o=-1.9,f=-1.3) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00667 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.0601 USER MOD Single : B 27 THR OG1 : rot 40:sc= 0.666 USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0731) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.021 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.905 1.627 -0.466 1.00 25.00 N ATOM 2 CA GLY A 1 4.840 2.852 -1.311 1.00 25.00 C ATOM 3 C GLY A 1 3.718 2.772 -2.314 1.00 25.00 C ATOM 4 O GLY A 1 3.456 1.697 -2.832 1.00 25.00 O ATOM 0 H1 GLY A 1 5.462 1.825 0.390 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.943 1.341 -0.194 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.356 0.859 -1.003 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.700 3.727 -0.676 1.00 25.00 H new ATOM 0 HA3 GLY A 1 5.787 2.986 -1.833 1.00 25.00 H new ATOM 10 N ILE A 2 3.042 3.885 -2.579 1.00 25.00 N ATOM 11 CA ILE A 2 1.839 3.880 -3.421 1.00 25.00 C ATOM 12 C ILE A 2 2.109 3.420 -4.866 1.00 25.00 C ATOM 13 O ILE A 2 1.294 2.746 -5.472 1.00 25.00 O ATOM 14 CB ILE A 2 1.157 5.300 -3.387 1.00 25.00 C ATOM 15 CG1 ILE A 2 -0.255 5.228 -3.998 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.044 6.382 -4.085 1.00 25.00 C ATOM 17 CD1 ILE A 2 -1.084 6.520 -3.865 1.00 25.00 C ATOM 0 H ILE A 2 3.303 4.805 -2.225 1.00 25.00 H new ATOM 0 HA ILE A 2 1.155 3.142 -3.003 1.00 25.00 H new ATOM 0 HB ILE A 2 1.057 5.608 -2.346 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.166 4.978 -5.055 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.800 4.413 -3.522 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.541 7.348 -4.042 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.005 6.450 -3.574 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.206 6.103 -5.126 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.062 6.374 -4.324 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.211 6.764 -2.810 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.567 7.338 -4.367 1.00 25.00 H new ATOM 29 N VAL A 3 3.283 3.734 -5.390 1.00 25.00 N ATOM 30 CA VAL A 3 3.648 3.369 -6.765 1.00 25.00 C ATOM 31 C VAL A 3 3.618 1.854 -6.993 1.00 25.00 C ATOM 32 O VAL A 3 3.283 1.388 -8.075 1.00 25.00 O ATOM 33 CB VAL A 3 5.069 3.932 -7.085 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.573 3.480 -8.463 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.033 5.464 -7.026 1.00 25.00 C ATOM 0 H VAL A 3 4.009 4.244 -4.887 1.00 25.00 H new ATOM 0 HA VAL A 3 2.909 3.806 -7.436 1.00 25.00 H new ATOM 0 HB VAL A 3 5.760 3.539 -6.339 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.565 3.896 -8.642 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.625 2.392 -8.492 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.888 3.831 -9.234 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.024 5.860 -7.249 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.319 5.840 -7.759 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.731 5.783 -6.028 1.00 25.00 H new ATOM 45 N GLU A 4 3.929 1.085 -5.959 1.00 25.00 N ATOM 46 CA GLU A 4 3.993 -0.373 -6.076 1.00 25.00 C ATOM 47 C GLU A 4 2.654 -0.971 -6.477 1.00 25.00 C ATOM 48 O GLU A 4 2.616 -1.955 -7.204 1.00 25.00 O ATOM 49 CB GLU A 4 4.444 -0.991 -4.752 1.00 25.00 C ATOM 50 CG GLU A 4 5.891 -0.680 -4.404 1.00 25.00 C ATOM 51 CD GLU A 4 6.256 -1.124 -3.019 1.00 25.00 C ATOM 52 OE1 GLU A 4 6.170 -0.414 -2.049 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.681 -2.334 -2.963 1.00 25.00 O ATOM 0 H GLU A 4 4.142 1.442 -5.028 1.00 25.00 H new ATOM 0 HA GLU A 4 4.716 -0.601 -6.859 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.799 -0.628 -3.952 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.314 -2.072 -4.801 1.00 25.00 H new ATOM 0 HG2 GLU A 4 6.548 -1.169 -5.124 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.061 0.393 -4.495 1.00 25.00 H new ATOM 61 N GLN A 5 1.566 -0.356 -6.031 1.00 25.00 N ATOM 62 CA GLN A 5 0.217 -0.849 -6.314 1.00 25.00 C ATOM 63 C GLN A 5 -0.106 -0.863 -7.809 1.00 25.00 C ATOM 64 O GLN A 5 -0.914 -1.661 -8.256 1.00 25.00 O ATOM 65 CB GLN A 5 -0.803 0.022 -5.573 1.00 25.00 C ATOM 66 CG GLN A 5 -0.663 -0.059 -4.050 1.00 25.00 C ATOM 67 CD GLN A 5 -1.502 0.972 -3.330 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.978 1.909 -2.755 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.797 0.792 -3.341 1.00 25.00 N ATOM 0 H GLN A 5 1.589 0.493 -5.466 1.00 25.00 H new ATOM 0 HA GLN A 5 0.165 -1.881 -5.968 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.685 1.059 -5.889 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.810 -0.285 -5.857 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.953 -1.055 -3.715 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.384 0.077 -3.778 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.197 -0.006 -3.835 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.407 1.450 -2.856 1.00 25.00 H new ATOM 78 N CYS A 6 0.553 -0.002 -8.573 1.00 25.00 N ATOM 79 CA CYS A 6 0.345 0.058 -10.024 1.00 25.00 C ATOM 80 C CYS A 6 1.566 -0.453 -10.789 1.00 25.00 C ATOM 81 O CYS A 6 1.610 -0.401 -12.017 1.00 25.00 O ATOM 82 CB CYS A 6 0.050 1.498 -10.440 1.00 25.00 C ATOM 83 SG CYS A 6 -1.507 2.152 -9.755 1.00 25.00 S ATOM 0 H CYS A 6 1.237 0.666 -8.218 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.501 -0.584 -10.269 1.00 25.00 H new ATOM 0 HB2 CYS A 6 0.874 2.136 -10.120 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.009 1.552 -11.528 1.00 25.00 H new ATOM 88 N CYS A 7 2.567 -0.913 -10.050 1.00 25.00 N ATOM 89 CA CYS A 7 3.835 -1.349 -10.635 1.00 25.00 C ATOM 90 C CYS A 7 4.020 -2.865 -10.562 1.00 25.00 C ATOM 91 O CYS A 7 4.322 -3.495 -11.572 1.00 25.00 O ATOM 92 CB CYS A 7 4.990 -0.650 -9.909 1.00 25.00 C ATOM 93 SG CYS A 7 6.659 -1.086 -10.497 1.00 25.00 S ATOM 0 H CYS A 7 2.527 -0.995 -9.034 1.00 25.00 H new ATOM 0 HA CYS A 7 3.826 -1.077 -11.690 1.00 25.00 H new ATOM 0 HB2 CYS A 7 4.859 0.428 -10.006 1.00 25.00 H new ATOM 0 HB3 CYS A 7 4.924 -0.885 -8.847 1.00 25.00 H new ATOM 98 N THR A 8 3.850 -3.457 -9.382 1.00 25.00 N ATOM 99 CA THR A 8 4.078 -4.902 -9.214 1.00 25.00 C ATOM 100 C THR A 8 2.890 -5.693 -9.751 1.00 25.00 C ATOM 101 O THR A 8 3.020 -6.846 -10.150 1.00 25.00 O ATOM 102 CB THR A 8 4.366 -5.281 -7.729 1.00 25.00 C ATOM 103 OG1 THR A 8 4.979 -6.569 -7.680 1.00 25.00 O ATOM 104 CG2 THR A 8 3.108 -5.322 -6.875 1.00 25.00 C ATOM 0 H THR A 8 3.559 -2.971 -8.534 1.00 25.00 H new ATOM 0 HA THR A 8 4.966 -5.162 -9.790 1.00 25.00 H new ATOM 0 HB THR A 8 5.022 -4.508 -7.328 1.00 25.00 H new ATOM 0 HG1 THR A 8 5.162 -6.809 -6.748 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.371 -5.591 -5.852 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.632 -4.341 -6.881 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.418 -6.063 -7.279 1.00 25.00 H new ATOM 112 N SER A 9 1.755 -5.020 -9.848 1.00 25.00 N ATOM 113 CA SER A 9 0.541 -5.557 -10.446 1.00 25.00 C ATOM 114 C SER A 9 -0.026 -4.349 -11.144 1.00 25.00 C ATOM 115 O SER A 9 0.439 -3.241 -10.898 1.00 25.00 O ATOM 116 CB SER A 9 -0.425 -6.061 -9.370 1.00 25.00 C ATOM 117 OG SER A 9 0.164 -7.116 -8.631 1.00 25.00 O ATOM 0 H SER A 9 1.649 -4.065 -9.506 1.00 25.00 H new ATOM 0 HA SER A 9 0.717 -6.409 -11.103 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.691 -5.244 -8.700 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.349 -6.406 -9.835 1.00 25.00 H new ATOM 0 HG SER A 9 -0.465 -7.426 -7.946 1.00 25.00 H new ATOM 123 N ILE A 10 -0.986 -4.541 -12.026 1.00 25.00 N ATOM 124 CA ILE A 10 -1.592 -3.408 -12.712 1.00 25.00 C ATOM 125 C ILE A 10 -2.685 -2.857 -11.816 1.00 25.00 C ATOM 126 O ILE A 10 -3.239 -3.580 -10.994 1.00 25.00 O ATOM 127 CB ILE A 10 -2.249 -3.766 -14.087 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.883 -5.187 -14.591 1.00 25.00 C ATOM 129 CG2 ILE A 10 -1.864 -2.690 -15.115 1.00 25.00 C ATOM 130 CD1 ILE A 10 -0.504 -5.326 -15.218 1.00 25.00 C ATOM 0 H ILE A 10 -1.361 -5.453 -12.285 1.00 25.00 H new ATOM 0 HA ILE A 10 -0.791 -2.697 -12.915 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.330 -3.781 -13.949 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.953 -5.880 -13.752 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -2.629 -5.497 -15.323 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -2.316 -2.928 -16.078 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -2.223 -1.718 -14.776 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -0.780 -2.659 -15.221 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.351 -6.357 -15.535 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -0.429 -4.666 -16.082 1.00 25.00 H new ATOM 0 HD13 ILE A 10 0.257 -5.055 -14.487 1.00 25.00 H new ATOM 142 N CYS A 11 -3.034 -1.602 -12.033 1.00 25.00 N ATOM 143 CA CYS A 11 -4.142 -0.968 -11.341 1.00 25.00 C ATOM 144 C CYS A 11 -4.951 -0.298 -12.445 1.00 25.00 C ATOM 145 O CYS A 11 -4.430 -0.078 -13.541 1.00 25.00 O ATOM 146 CB CYS A 11 -3.619 0.042 -10.318 1.00 25.00 C ATOM 147 SG CYS A 11 -2.911 1.534 -11.080 1.00 25.00 S ATOM 0 H CYS A 11 -2.556 -0.992 -12.696 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.752 -1.673 -10.776 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.434 0.333 -9.655 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.860 -0.437 -9.700 1.00 25.00 H new ATOM 152 N SER A 12 -6.225 -0.032 -12.199 1.00 25.00 N ATOM 153 CA SER A 12 -7.083 0.551 -13.233 1.00 25.00 C ATOM 154 C SER A 12 -6.937 2.070 -13.264 1.00 25.00 C ATOM 155 O SER A 12 -6.379 2.668 -12.349 1.00 25.00 O ATOM 156 CB SER A 12 -8.542 0.181 -12.970 1.00 25.00 C ATOM 157 OG SER A 12 -9.011 0.797 -11.785 1.00 25.00 O ATOM 0 H SER A 12 -6.688 -0.206 -11.307 1.00 25.00 H new ATOM 0 HA SER A 12 -6.775 0.151 -14.199 1.00 25.00 H new ATOM 0 HB2 SER A 12 -9.158 0.490 -13.814 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.638 -0.901 -12.885 1.00 25.00 H new ATOM 0 HG SER A 12 -9.804 0.321 -11.461 1.00 25.00 H new ATOM 163 N LEU A 13 -7.491 2.704 -14.290 1.00 25.00 N ATOM 164 CA LEU A 13 -7.451 4.167 -14.403 1.00 25.00 C ATOM 165 C LEU A 13 -8.150 4.838 -13.214 1.00 25.00 C ATOM 166 O LEU A 13 -7.805 5.939 -12.820 1.00 25.00 O ATOM 167 CB LEU A 13 -8.082 4.621 -15.731 1.00 25.00 C ATOM 168 CG LEU A 13 -9.614 4.504 -15.870 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.296 5.836 -15.549 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.985 4.070 -17.281 1.00 25.00 C ATOM 0 H LEU A 13 -7.973 2.235 -15.057 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.406 4.476 -14.390 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.808 5.663 -15.894 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.626 4.042 -16.535 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.959 3.754 -15.158 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.375 5.727 -15.654 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.059 6.129 -14.526 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.940 6.602 -16.238 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.069 3.992 -17.364 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.618 4.806 -17.996 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.534 3.101 -17.494 1.00 25.00 H new ATOM 182 N TYR A 14 -9.116 4.150 -12.626 1.00 25.00 N ATOM 183 CA TYR A 14 -9.854 4.683 -11.488 1.00 25.00 C ATOM 184 C TYR A 14 -8.942 4.774 -10.270 1.00 25.00 C ATOM 185 O TYR A 14 -9.020 5.703 -9.482 1.00 25.00 O ATOM 186 CB TYR A 14 -11.037 3.767 -11.191 1.00 25.00 C ATOM 187 CG TYR A 14 -11.852 3.453 -12.428 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.589 4.458 -13.087 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.883 2.144 -12.956 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.335 4.162 -14.264 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.626 1.847 -14.130 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.339 2.861 -14.774 1.00 25.00 C ATOM 193 OH TYR A 14 -14.048 2.585 -15.914 1.00 25.00 O ATOM 0 H TYR A 14 -9.409 3.218 -12.918 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.217 5.683 -11.723 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.672 2.837 -10.755 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.679 4.238 -10.447 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.588 5.464 -12.695 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -11.334 1.357 -12.460 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.895 4.940 -14.760 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.639 0.841 -14.523 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.949 1.636 -16.139 1.00 25.00 H new ATOM 203 N GLN A 15 -8.037 3.818 -10.158 1.00 25.00 N ATOM 204 CA GLN A 15 -7.046 3.809 -9.087 1.00 25.00 C ATOM 205 C GLN A 15 -5.987 4.880 -9.344 1.00 25.00 C ATOM 206 O GLN A 15 -5.516 5.536 -8.423 1.00 25.00 O ATOM 207 CB GLN A 15 -6.413 2.444 -8.994 1.00 25.00 C ATOM 208 CG GLN A 15 -7.453 1.395 -8.716 1.00 25.00 C ATOM 209 CD GLN A 15 -6.854 0.187 -8.122 1.00 25.00 C ATOM 210 OE1 GLN A 15 -6.556 -0.777 -8.807 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.642 0.230 -6.840 1.00 25.00 N ATOM 0 H GLN A 15 -7.965 3.029 -10.800 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.535 4.033 -8.139 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.896 2.213 -9.925 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.663 2.438 -8.203 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.207 1.799 -8.040 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.963 1.132 -9.643 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -6.908 1.058 -6.307 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.210 -0.564 -6.368 1.00 25.00 H new ATOM 220 N LEU A 16 -5.662 5.085 -10.615 1.00 25.00 N ATOM 221 CA LEU A 16 -4.720 6.130 -11.019 1.00 25.00 C ATOM 222 C LEU A 16 -5.241 7.527 -10.657 1.00 25.00 C ATOM 223 O LEU A 16 -4.452 8.405 -10.345 1.00 25.00 O ATOM 224 CB LEU A 16 -4.369 6.038 -12.513 1.00 25.00 C ATOM 225 CG LEU A 16 -3.478 4.849 -12.921 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.300 4.803 -14.434 1.00 25.00 C ATOM 227 CD2 LEU A 16 -2.090 4.910 -12.270 1.00 25.00 C ATOM 0 H LEU A 16 -6.038 4.539 -11.390 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.800 5.963 -10.459 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.297 5.984 -13.082 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.868 6.960 -12.807 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.987 3.951 -12.572 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.668 3.956 -14.700 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.274 4.693 -14.912 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.831 5.727 -14.773 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.500 4.050 -12.589 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.586 5.828 -12.573 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -2.196 4.895 -11.185 1.00 25.00 H new ATOM 239 N GLU A 17 -6.553 7.736 -10.675 1.00 25.00 N ATOM 240 CA GLU A 17 -7.121 9.040 -10.292 1.00 25.00 C ATOM 241 C GLU A 17 -6.727 9.489 -8.874 1.00 25.00 C ATOM 242 O GLU A 17 -6.696 10.679 -8.595 1.00 25.00 O ATOM 243 CB GLU A 17 -8.653 9.038 -10.401 1.00 25.00 C ATOM 244 CG GLU A 17 -9.192 9.111 -11.830 1.00 25.00 C ATOM 245 CD GLU A 17 -9.085 10.494 -12.423 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.000 11.274 -12.493 1.00 25.00 O ATOM 247 OE2 GLU A 17 -7.918 10.768 -12.870 1.00 25.00 O ATOM 0 H GLU A 17 -7.242 7.034 -10.946 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.695 9.752 -10.999 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -9.036 8.134 -9.928 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -9.045 9.884 -9.836 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.644 8.408 -12.457 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -10.236 8.797 -11.837 1.00 25.00 H new ATOM 255 N ASN A 18 -6.376 8.553 -8.000 1.00 25.00 N ATOM 256 CA ASN A 18 -5.938 8.894 -6.636 1.00 25.00 C ATOM 257 C ASN A 18 -4.609 9.656 -6.638 1.00 25.00 C ATOM 258 O ASN A 18 -4.313 10.421 -5.729 1.00 25.00 O ATOM 259 CB ASN A 18 -5.793 7.636 -5.779 1.00 25.00 C ATOM 260 CG ASN A 18 -7.113 6.972 -5.505 1.00 25.00 C ATOM 261 OD1 ASN A 18 -8.000 7.551 -4.913 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.253 5.755 -5.943 1.00 25.00 N ATOM 0 H ASN A 18 -6.383 7.553 -8.203 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.708 9.539 -6.211 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -5.133 6.931 -6.283 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.318 7.897 -4.833 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -8.130 5.257 -5.793 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.486 5.299 -6.437 1.00 25.00 H new ATOM 269 N TYR A 19 -3.781 9.391 -7.639 1.00 25.00 N ATOM 270 CA TYR A 19 -2.465 10.019 -7.746 1.00 25.00 C ATOM 271 C TYR A 19 -2.635 11.470 -8.191 1.00 25.00 C ATOM 272 O TYR A 19 -1.735 12.290 -8.027 1.00 25.00 O ATOM 273 CB TYR A 19 -1.625 9.287 -8.788 1.00 25.00 C ATOM 274 CG TYR A 19 -1.244 7.880 -8.394 1.00 25.00 C ATOM 275 CD1 TYR A 19 -2.179 6.832 -8.482 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.054 7.581 -7.942 1.00 25.00 C ATOM 277 CE1 TYR A 19 -1.832 5.516 -8.143 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.410 6.250 -7.597 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.544 5.227 -7.709 1.00 25.00 C ATOM 280 OH TYR A 19 -0.254 3.925 -7.399 1.00 25.00 O ATOM 0 H TYR A 19 -3.997 8.741 -8.395 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.969 9.975 -6.776 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.178 9.253 -9.727 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.716 9.860 -8.974 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -3.183 7.045 -8.817 1.00 25.00 H new ATOM 0 HD2 TYR A 19 0.786 8.370 -7.857 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -2.566 4.727 -8.219 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.408 6.027 -7.251 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.618 3.335 -8.092 1.00 25.00 H new ATOM 290 N CYS A 20 -3.785 11.772 -8.782 1.00 25.00 N ATOM 291 CA CYS A 20 -4.065 13.090 -9.353 1.00 25.00 C ATOM 292 C CYS A 20 -4.487 14.126 -8.309 1.00 25.00 C ATOM 293 O CYS A 20 -5.456 14.858 -8.485 1.00 25.00 O ATOM 294 CB CYS A 20 -5.176 12.968 -10.393 1.00 25.00 C ATOM 295 SG CYS A 20 -4.980 11.582 -11.557 1.00 25.00 S ATOM 0 H CYS A 20 -4.554 11.109 -8.881 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.134 13.438 -9.801 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -6.129 12.858 -9.875 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.227 13.897 -10.961 1.00 25.00 H new ATOM 300 N ASN A 21 -3.737 14.221 -7.213 1.00 25.00 N ATOM 301 CA ASN A 21 -4.030 15.160 -6.106 1.00 25.00 C ATOM 302 C ASN A 21 -3.831 16.657 -6.458 1.00 25.00 C ATOM 303 O ASN A 21 -3.894 17.555 -5.645 1.00 25.00 O ATOM 304 CB ASN A 21 -3.183 14.777 -4.872 1.00 25.00 C ATOM 305 CG ASN A 21 -3.770 15.360 -3.615 1.00 25.00 C ATOM 306 OD1 ASN A 21 -4.877 15.104 -3.219 1.00 25.00 O ATOM 307 ND2 ASN A 21 -2.985 16.177 -2.925 1.00 25.00 N ATOM 308 OXT ASN A 21 -3.539 16.893 -7.705 1.00 25.00 O ATOM 0 H ASN A 21 -2.905 13.652 -7.057 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.094 15.059 -5.892 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.131 13.692 -4.784 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.162 15.136 -5.001 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.319 16.591 -2.055 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -2.047 16.391 -3.265 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.553 3.021 -22.085 1.00 25.00 N ATOM 318 CA PHE B 1 -7.296 2.694 -21.355 1.00 25.00 C ATOM 319 C PHE B 1 -6.972 1.225 -21.527 1.00 25.00 C ATOM 320 O PHE B 1 -7.884 0.431 -21.682 1.00 25.00 O ATOM 321 CB PHE B 1 -7.466 3.022 -19.868 1.00 25.00 C ATOM 322 CG PHE B 1 -6.170 3.070 -19.104 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.393 4.246 -19.094 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.714 1.945 -18.386 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.165 4.300 -18.390 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.488 1.987 -17.678 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.711 3.168 -17.687 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.162 3.609 -21.481 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.323 3.541 -22.956 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.052 2.142 -22.328 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.477 3.288 -21.761 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.969 3.985 -19.773 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.118 2.276 -19.413 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.739 5.117 -19.630 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.306 1.042 -18.376 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.579 5.207 -18.393 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.148 1.119 -17.133 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.771 3.202 -17.156 1.00 25.00 H new ATOM 339 N VAL B 2 -5.695 0.863 -21.526 1.00 25.00 N ATOM 340 CA VAL B 2 -5.282 -0.533 -21.685 1.00 25.00 C ATOM 341 C VAL B 2 -4.377 -0.866 -20.513 1.00 25.00 C ATOM 342 O VAL B 2 -3.423 -0.138 -20.245 1.00 25.00 O ATOM 343 CB VAL B 2 -4.502 -0.754 -23.023 1.00 25.00 C ATOM 344 CG1 VAL B 2 -4.058 -2.219 -23.167 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.377 -0.358 -24.226 1.00 25.00 C ATOM 0 H VAL B 2 -4.921 1.518 -21.416 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.163 -1.175 -21.713 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.614 -0.122 -23.000 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.518 -2.345 -24.106 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.406 -2.485 -22.335 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -4.935 -2.867 -23.163 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.820 -0.518 -25.149 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.279 -0.969 -24.236 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.652 0.694 -24.145 1.00 25.00 H new ATOM 355 N ASN B 3 -4.683 -1.940 -19.797 1.00 25.00 N ATOM 356 CA ASN B 3 -3.860 -2.340 -18.664 1.00 25.00 C ATOM 357 C ASN B 3 -2.566 -2.929 -19.173 1.00 25.00 C ATOM 358 O ASN B 3 -2.568 -3.843 -19.988 1.00 25.00 O ATOM 359 CB ASN B 3 -4.551 -3.409 -17.816 1.00 25.00 C ATOM 360 CG ASN B 3 -5.659 -2.847 -16.954 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.897 -1.648 -16.925 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.346 -3.710 -16.260 1.00 25.00 N ATOM 0 H ASN B 3 -5.485 -2.543 -19.978 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.686 -1.454 -18.054 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.961 -4.177 -18.471 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.812 -3.895 -17.179 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.112 -3.393 -15.666 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.117 -4.703 -16.310 1.00 25.00 H new ATOM 369 N GLN B 4 -1.463 -2.432 -18.649 1.00 25.00 N ATOM 370 CA GLN B 4 -0.150 -2.955 -18.955 1.00 25.00 C ATOM 371 C GLN B 4 0.718 -2.521 -17.791 1.00 25.00 C ATOM 372 O GLN B 4 0.466 -1.490 -17.175 1.00 25.00 O ATOM 373 CB GLN B 4 0.374 -2.399 -20.292 1.00 25.00 C ATOM 374 CG GLN B 4 0.223 -0.892 -20.451 1.00 25.00 C ATOM 375 CD GLN B 4 0.683 -0.406 -21.801 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.863 -0.405 -22.105 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.247 0.019 -22.615 1.00 25.00 N ATOM 0 H GLN B 4 -1.455 -1.649 -17.995 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.155 -4.038 -19.075 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.428 -2.658 -20.391 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.154 -2.893 -21.108 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.822 -0.617 -20.306 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.796 -0.388 -19.672 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.225 0.003 -22.325 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.005 0.367 -23.540 1.00 25.00 H new ATOM 386 N HIS B 5 1.697 -3.340 -17.457 1.00 25.00 N ATOM 387 CA HIS B 5 2.632 -3.031 -16.370 1.00 25.00 C ATOM 388 C HIS B 5 3.450 -1.784 -16.703 1.00 25.00 C ATOM 389 O HIS B 5 4.292 -1.814 -17.592 1.00 25.00 O ATOM 390 CB HIS B 5 3.579 -4.214 -16.146 1.00 25.00 C ATOM 391 CG HIS B 5 3.118 -5.158 -15.090 1.00 25.00 C ATOM 392 ND1 HIS B 5 2.722 -6.447 -15.155 1.00 25.00 N flip ATOM 393 CD2 HIS B 5 3.033 -4.832 -13.738 1.00 25.00 C flip ATOM 394 CE1 HIS B 5 2.405 -6.867 -13.909 1.00 25.00 C flip ATOM 395 NE2 HIS B 5 2.584 -5.885 -13.080 1.00 25.00 N flip ATOM 0 H HIS B 5 1.873 -4.231 -17.920 1.00 25.00 H new ATOM 0 HA HIS B 5 2.056 -2.845 -15.463 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.694 -4.759 -17.083 1.00 25.00 H new ATOM 0 HB3 HIS B 5 4.564 -3.833 -15.876 1.00 25.00 H new ATOM 0 HD1 HIS B 5 2.670 -7.011 -16.003 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.291 -3.878 -13.302 1.00 25.00 H new ATOM 0 HE1 HIS B 5 2.060 -7.856 -13.647 1.00 25.00 H new ATOM 404 N LEU B 6 3.211 -0.702 -15.975 1.00 25.00 N ATOM 405 CA LEU B 6 3.947 0.545 -16.167 1.00 25.00 C ATOM 406 C LEU B 6 4.535 0.935 -14.827 1.00 25.00 C ATOM 407 O LEU B 6 3.893 0.786 -13.800 1.00 25.00 O ATOM 408 CB LEU B 6 3.013 1.653 -16.671 1.00 25.00 C ATOM 409 CG LEU B 6 2.328 1.390 -18.023 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.254 2.432 -18.256 1.00 25.00 C ATOM 411 CD2 LEU B 6 3.305 1.409 -19.200 1.00 25.00 C ATOM 0 H LEU B 6 2.507 -0.661 -15.239 1.00 25.00 H new ATOM 0 HA LEU B 6 4.731 0.409 -16.912 1.00 25.00 H new ATOM 0 HB2 LEU B 6 2.240 1.820 -15.920 1.00 25.00 H new ATOM 0 HB3 LEU B 6 3.586 2.577 -16.749 1.00 25.00 H new ATOM 0 HG LEU B 6 1.898 0.390 -17.972 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.768 2.246 -19.214 1.00 25.00 H new ATOM 0 HD12 LEU B 6 0.514 2.377 -17.457 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.705 3.424 -18.265 1.00 25.00 H new ATOM 0 HD21 LEU B 6 2.763 1.217 -20.126 1.00 25.00 H new ATOM 0 HD22 LEU B 6 3.787 2.385 -19.257 1.00 25.00 H new ATOM 0 HD23 LEU B 6 4.062 0.638 -19.057 1.00 25.00 H new ATOM 423 N CYS B 7 5.768 1.408 -14.833 1.00 25.00 N ATOM 424 CA CYS B 7 6.448 1.781 -13.603 1.00 25.00 C ATOM 425 C CYS B 7 7.472 2.843 -13.967 1.00 25.00 C ATOM 426 O CYS B 7 7.796 3.006 -15.150 1.00 25.00 O ATOM 427 CB CYS B 7 7.124 0.548 -12.997 1.00 25.00 C ATOM 428 SG CYS B 7 7.414 0.665 -11.203 1.00 25.00 S ATOM 0 H CYS B 7 6.322 1.544 -15.679 1.00 25.00 H new ATOM 0 HA CYS B 7 5.751 2.171 -12.861 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.506 -0.327 -13.198 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.078 0.387 -13.499 1.00 25.00 H new ATOM 433 N GLY B 8 7.970 3.578 -12.986 1.00 25.00 N ATOM 434 CA GLY B 8 8.945 4.618 -13.268 1.00 25.00 C ATOM 435 C GLY B 8 8.337 5.704 -14.129 1.00 25.00 C ATOM 436 O GLY B 8 7.164 6.044 -13.982 1.00 25.00 O ATOM 0 H GLY B 8 7.720 3.477 -12.002 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.306 5.048 -12.334 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.808 4.186 -13.775 1.00 25.00 H new ATOM 440 N SER B 9 9.120 6.204 -15.074 1.00 25.00 N ATOM 441 CA SER B 9 8.670 7.240 -15.999 1.00 25.00 C ATOM 442 C SER B 9 7.449 6.811 -16.804 1.00 25.00 C ATOM 443 O SER B 9 6.625 7.630 -17.173 1.00 25.00 O ATOM 444 CB SER B 9 9.805 7.564 -16.963 1.00 25.00 C ATOM 445 OG SER B 9 10.409 6.362 -17.422 1.00 25.00 O ATOM 0 H SER B 9 10.084 5.905 -15.223 1.00 25.00 H new ATOM 0 HA SER B 9 8.388 8.112 -15.409 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.423 8.135 -17.809 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.548 8.188 -16.467 1.00 25.00 H new ATOM 0 HG SER B 9 11.136 6.578 -18.042 1.00 25.00 H new ATOM 451 N HIS B 10 7.309 5.523 -17.067 1.00 25.00 N ATOM 452 CA HIS B 10 6.168 5.050 -17.844 1.00 25.00 C ATOM 453 C HIS B 10 4.856 5.147 -17.071 1.00 25.00 C ATOM 454 O HIS B 10 3.806 5.345 -17.669 1.00 25.00 O ATOM 455 CB HIS B 10 6.413 3.631 -18.333 1.00 25.00 C ATOM 456 CG HIS B 10 7.354 3.565 -19.493 1.00 25.00 C ATOM 457 ND1 HIS B 10 6.931 3.531 -20.825 1.00 25.00 N ATOM 458 CD2 HIS B 10 8.711 3.550 -19.564 1.00 25.00 C ATOM 459 CE1 HIS B 10 7.998 3.488 -21.613 1.00 25.00 C ATOM 460 NE2 HIS B 10 9.076 3.496 -20.874 1.00 25.00 N ATOM 0 H HIS B 10 7.956 4.795 -16.762 1.00 25.00 H new ATOM 0 HA HIS B 10 6.068 5.707 -18.708 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.814 3.035 -17.513 1.00 25.00 H new ATOM 0 HB3 HIS B 10 5.462 3.182 -18.618 1.00 25.00 H new ATOM 0 HD2 HIS B 10 9.387 3.576 -18.722 1.00 25.00 H new ATOM 0 HE1 HIS B 10 7.979 3.452 -22.692 1.00 25.00 H new ATOM 0 HE2 HIS B 10 10.034 3.467 -21.222 1.00 25.00 H new ATOM 469 N LEU B 11 4.906 5.062 -15.749 1.00 25.00 N ATOM 470 CA LEU B 11 3.692 5.251 -14.952 1.00 25.00 C ATOM 471 C LEU B 11 3.339 6.736 -14.953 1.00 25.00 C ATOM 472 O LEU B 11 2.184 7.109 -15.060 1.00 25.00 O ATOM 473 CB LEU B 11 3.878 4.752 -13.514 1.00 25.00 C ATOM 474 CG LEU B 11 2.581 4.722 -12.677 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.578 3.709 -13.237 1.00 25.00 C ATOM 476 CD2 LEU B 11 2.895 4.369 -11.230 1.00 25.00 C ATOM 0 H LEU B 11 5.751 4.868 -15.211 1.00 25.00 H new ATOM 0 HA LEU B 11 2.884 4.668 -15.394 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.301 3.748 -13.543 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.605 5.390 -13.012 1.00 25.00 H new ATOM 0 HG LEU B 11 2.136 5.716 -12.726 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.676 3.713 -12.625 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.322 3.979 -14.262 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.021 2.713 -13.224 1.00 25.00 H new ATOM 0 HD21 LEU B 11 1.972 4.351 -10.651 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.368 3.388 -11.189 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.571 5.115 -10.812 1.00 25.00 H new ATOM 488 N VAL B 12 4.363 7.576 -14.898 1.00 25.00 N ATOM 489 CA VAL B 12 4.184 9.031 -14.950 1.00 25.00 C ATOM 490 C VAL B 12 3.528 9.438 -16.279 1.00 25.00 C ATOM 491 O VAL B 12 2.637 10.279 -16.308 1.00 25.00 O ATOM 492 CB VAL B 12 5.566 9.743 -14.772 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.456 11.247 -14.945 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.147 9.423 -13.384 1.00 25.00 C ATOM 0 H VAL B 12 5.335 7.278 -14.817 1.00 25.00 H new ATOM 0 HA VAL B 12 3.527 9.340 -14.137 1.00 25.00 H new ATOM 0 HB VAL B 12 6.231 9.366 -15.549 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.438 11.701 -14.813 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.083 11.472 -15.944 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.768 11.649 -14.202 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.109 9.922 -13.268 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.461 9.773 -12.613 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.283 8.346 -13.286 1.00 25.00 H new ATOM 504 N GLU B 13 3.921 8.793 -17.368 1.00 25.00 N ATOM 505 CA GLU B 13 3.333 9.073 -18.682 1.00 25.00 C ATOM 506 C GLU B 13 1.845 8.723 -18.697 1.00 25.00 C ATOM 507 O GLU B 13 1.047 9.398 -19.338 1.00 25.00 O ATOM 508 CB GLU B 13 4.050 8.264 -19.768 1.00 25.00 C ATOM 509 CG GLU B 13 5.443 8.785 -20.106 1.00 25.00 C ATOM 510 CD GLU B 13 6.167 7.902 -21.085 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.203 6.696 -21.015 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.763 8.556 -22.018 1.00 25.00 O ATOM 0 H GLU B 13 4.643 8.072 -17.374 1.00 25.00 H new ATOM 0 HA GLU B 13 3.450 10.138 -18.881 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.129 7.227 -19.442 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.441 8.268 -20.672 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.361 9.790 -20.520 1.00 25.00 H new ATOM 0 HG3 GLU B 13 6.030 8.864 -19.191 1.00 25.00 H new ATOM 520 N ALA B 14 1.474 7.676 -17.977 1.00 25.00 N ATOM 521 CA ALA B 14 0.079 7.260 -17.914 1.00 25.00 C ATOM 522 C ALA B 14 -0.716 8.237 -17.055 1.00 25.00 C ATOM 523 O ALA B 14 -1.866 8.545 -17.349 1.00 25.00 O ATOM 524 CB ALA B 14 -0.015 5.860 -17.338 1.00 25.00 C ATOM 0 H ALA B 14 2.114 7.100 -17.430 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.339 7.256 -18.921 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.060 5.554 -17.293 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.539 5.168 -17.972 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.409 5.850 -16.334 1.00 25.00 H new ATOM 530 N LEU B 15 -0.092 8.720 -15.991 1.00 25.00 N ATOM 531 CA LEU B 15 -0.747 9.650 -15.084 1.00 25.00 C ATOM 532 C LEU B 15 -1.093 10.951 -15.784 1.00 25.00 C ATOM 533 O LEU B 15 -2.151 11.502 -15.538 1.00 25.00 O ATOM 534 CB LEU B 15 0.134 9.922 -13.858 1.00 25.00 C ATOM 535 CG LEU B 15 0.141 8.819 -12.786 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.161 9.113 -11.691 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.237 8.685 -12.183 1.00 25.00 C ATOM 0 H LEU B 15 0.867 8.483 -15.735 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.677 9.188 -14.751 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.158 10.081 -14.197 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.196 10.852 -13.395 1.00 25.00 H new ATOM 0 HG LEU B 15 0.424 7.882 -13.266 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.140 8.314 -10.950 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.157 9.175 -12.129 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.916 10.060 -11.210 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.228 7.903 -11.424 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.528 9.631 -11.726 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.952 8.425 -12.964 1.00 25.00 H new ATOM 549 N TYR B 16 -0.265 11.404 -16.715 1.00 25.00 N ATOM 550 CA TYR B 16 -0.591 12.616 -17.476 1.00 25.00 C ATOM 551 C TYR B 16 -1.924 12.465 -18.205 1.00 25.00 C ATOM 552 O TYR B 16 -2.711 13.400 -18.268 1.00 25.00 O ATOM 553 CB TYR B 16 0.498 12.940 -18.501 1.00 25.00 C ATOM 554 CG TYR B 16 1.670 13.702 -17.926 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.520 15.045 -17.514 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.937 13.100 -17.797 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.616 15.769 -16.975 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.039 13.827 -17.268 1.00 25.00 C ATOM 559 CZ TYR B 16 3.862 15.152 -16.857 1.00 25.00 C ATOM 560 OH TYR B 16 4.918 15.853 -16.334 1.00 25.00 O ATOM 0 H TYR B 16 0.622 10.966 -16.963 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.660 13.432 -16.756 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.861 12.010 -18.938 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.060 13.523 -19.311 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.559 15.528 -17.610 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.073 12.073 -18.104 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.486 16.793 -16.658 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.008 13.358 -17.184 1.00 25.00 H new ATOM 0 HH TYR B 16 5.714 15.282 -16.319 1.00 25.00 H new ATOM 570 N LEU B 17 -2.189 11.285 -18.742 1.00 25.00 N ATOM 571 CA LEU B 17 -3.438 11.046 -19.459 1.00 25.00 C ATOM 572 C LEU B 17 -4.649 10.975 -18.533 1.00 25.00 C ATOM 573 O LEU B 17 -5.716 11.481 -18.849 1.00 25.00 O ATOM 574 CB LEU B 17 -3.366 9.729 -20.221 1.00 25.00 C ATOM 575 CG LEU B 17 -2.251 9.574 -21.268 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.215 8.121 -21.748 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.457 10.513 -22.457 1.00 25.00 C ATOM 0 H LEU B 17 -1.563 10.481 -18.698 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.562 11.892 -20.135 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.258 8.925 -19.493 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.322 9.578 -20.723 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.302 9.840 -20.803 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.426 8.003 -22.491 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.018 7.463 -20.902 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.175 7.861 -22.193 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.649 10.374 -23.175 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.410 10.290 -22.936 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.459 11.546 -22.109 1.00 25.00 H new ATOM 589 N VAL B 18 -4.493 10.274 -17.420 1.00 25.00 N ATOM 590 CA VAL B 18 -5.615 10.005 -16.515 1.00 25.00 C ATOM 591 C VAL B 18 -5.955 11.242 -15.686 1.00 25.00 C ATOM 592 O VAL B 18 -7.126 11.551 -15.439 1.00 25.00 O ATOM 593 CB VAL B 18 -5.275 8.799 -15.586 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.397 8.530 -14.589 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.037 7.546 -16.435 1.00 25.00 C ATOM 0 H VAL B 18 -3.603 9.879 -17.116 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.490 9.752 -17.114 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.374 9.049 -15.026 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.127 7.684 -13.957 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.551 9.412 -13.967 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.316 8.302 -15.129 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.800 6.705 -15.784 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.936 7.319 -17.008 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.206 7.722 -17.118 1.00 25.00 H new ATOM 605 N CYS B 19 -4.932 11.967 -15.279 1.00 25.00 N ATOM 606 CA CYS B 19 -5.130 13.175 -14.492 1.00 25.00 C ATOM 607 C CYS B 19 -5.447 14.369 -15.379 1.00 25.00 C ATOM 608 O CYS B 19 -6.023 15.361 -14.915 1.00 25.00 O ATOM 609 CB CYS B 19 -3.877 13.466 -13.676 1.00 25.00 C ATOM 610 SG CYS B 19 -3.351 12.048 -12.660 1.00 25.00 S ATOM 0 H CYS B 19 -3.957 11.744 -15.478 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.978 13.010 -13.827 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.067 13.745 -14.350 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.062 14.323 -13.028 1.00 25.00 H new ATOM 615 N GLY B 20 -5.070 14.292 -16.645 1.00 25.00 N ATOM 616 CA GLY B 20 -5.271 15.423 -17.527 1.00 25.00 C ATOM 617 C GLY B 20 -4.471 16.617 -17.038 1.00 25.00 C ATOM 618 O GLY B 20 -3.383 16.485 -16.479 1.00 25.00 O ATOM 0 H GLY B 20 -4.633 13.477 -17.075 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.966 15.162 -18.540 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.330 15.678 -17.568 1.00 25.00 H new ATOM 622 N GLU B 21 -5.032 17.799 -17.232 1.00 25.00 N ATOM 623 CA GLU B 21 -4.364 19.050 -16.882 1.00 25.00 C ATOM 624 C GLU B 21 -4.256 19.329 -15.375 1.00 25.00 C ATOM 625 O GLU B 21 -3.587 20.277 -14.985 1.00 25.00 O ATOM 626 CB GLU B 21 -5.112 20.229 -17.532 1.00 25.00 C ATOM 627 CG GLU B 21 -5.143 20.211 -19.077 1.00 25.00 C ATOM 628 CD GLU B 21 -6.224 19.318 -19.638 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.043 18.745 -18.962 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.177 19.205 -20.926 1.00 25.00 O ATOM 0 H GLU B 21 -5.961 17.923 -17.635 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.345 18.944 -17.255 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.138 20.237 -17.163 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.648 21.159 -17.204 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.293 21.227 -19.443 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.175 19.877 -19.450 1.00 25.00 H new ATOM 638 N ARG B 22 -4.930 18.554 -14.526 1.00 25.00 N ATOM 639 CA ARG B 22 -4.945 18.865 -13.088 1.00 25.00 C ATOM 640 C ARG B 22 -3.626 18.553 -12.370 1.00 25.00 C ATOM 641 O ARG B 22 -3.394 19.032 -11.266 1.00 25.00 O ATOM 642 CB ARG B 22 -6.121 18.162 -12.399 1.00 25.00 C ATOM 643 CG ARG B 22 -5.782 16.835 -11.739 1.00 25.00 C ATOM 644 CD ARG B 22 -7.036 16.090 -11.375 1.00 25.00 C ATOM 645 NE ARG B 22 -7.566 15.369 -12.539 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.477 14.403 -12.498 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.013 13.988 -11.378 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.849 13.836 -13.609 1.00 25.00 N ATOM 0 H ARG B 22 -5.462 17.726 -14.794 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.073 19.945 -13.014 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.532 18.831 -11.643 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.906 17.993 -13.136 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.177 16.231 -12.415 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.184 17.010 -10.845 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.826 15.386 -10.569 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.785 16.788 -11.001 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.204 15.632 -13.456 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.734 14.410 -10.492 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.710 13.243 -11.391 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.442 14.135 -14.495 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.548 13.093 -13.593 1.00 25.00 H new ATOM 662 N GLY B 23 -2.768 17.764 -13.001 1.00 25.00 N ATOM 663 CA GLY B 23 -1.499 17.401 -12.388 1.00 25.00 C ATOM 664 C GLY B 23 -1.629 16.225 -11.432 1.00 25.00 C ATOM 665 O GLY B 23 -2.722 15.692 -11.234 1.00 25.00 O ATOM 0 H GLY B 23 -2.925 17.367 -13.927 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.780 17.153 -13.169 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.100 18.261 -11.849 1.00 25.00 H new ATOM 669 N PHE B 24 -0.502 15.782 -10.892 1.00 25.00 N ATOM 670 CA PHE B 24 -0.451 14.605 -10.026 1.00 25.00 C ATOM 671 C PHE B 24 0.882 14.573 -9.292 1.00 25.00 C ATOM 672 O PHE B 24 1.713 15.459 -9.484 1.00 25.00 O ATOM 673 CB PHE B 24 -0.601 13.335 -10.867 1.00 25.00 C ATOM 674 CG PHE B 24 0.414 13.203 -11.947 1.00 25.00 C ATOM 675 CD1 PHE B 24 1.648 12.594 -11.685 1.00 25.00 C ATOM 676 CD2 PHE B 24 0.136 13.665 -13.243 1.00 25.00 C ATOM 677 CE1 PHE B 24 2.599 12.449 -12.693 1.00 25.00 C ATOM 678 CE2 PHE B 24 1.087 13.533 -14.267 1.00 25.00 C ATOM 679 CZ PHE B 24 2.322 12.921 -13.998 1.00 25.00 C ATOM 0 H PHE B 24 0.404 16.226 -11.040 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.265 14.655 -9.303 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.534 12.467 -10.211 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.595 13.322 -11.313 1.00 25.00 H new ATOM 0 HD1 PHE B 24 1.865 12.233 -10.691 1.00 25.00 H new ATOM 0 HD2 PHE B 24 -0.818 14.126 -13.454 1.00 25.00 H new ATOM 0 HE1 PHE B 24 3.546 11.977 -12.479 1.00 25.00 H new ATOM 0 HE2 PHE B 24 0.870 13.901 -15.259 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.056 12.811 -14.783 1.00 25.00 H new ATOM 689 N PHE B 25 1.104 13.534 -8.500 1.00 25.00 N ATOM 690 CA PHE B 25 2.368 13.348 -7.793 1.00 25.00 C ATOM 691 C PHE B 25 2.898 11.938 -8.046 1.00 25.00 C ATOM 692 O PHE B 25 2.157 11.047 -8.463 1.00 25.00 O ATOM 693 CB PHE B 25 2.193 13.588 -6.285 1.00 25.00 C ATOM 694 CG PHE B 25 1.378 12.524 -5.589 1.00 25.00 C ATOM 695 CD1 PHE B 25 -0.023 12.628 -5.512 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.011 11.411 -5.000 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.792 11.624 -4.868 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.255 10.405 -4.352 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.150 10.512 -4.291 1.00 25.00 C ATOM 0 H PHE B 25 0.419 12.798 -8.328 1.00 25.00 H new ATOM 0 HA PHE B 25 3.087 14.075 -8.170 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.177 13.642 -5.819 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.715 14.556 -6.134 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.519 13.482 -5.948 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.087 11.325 -5.044 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.867 11.713 -4.821 1.00 25.00 H new ATOM 0 HE2 PHE B 25 1.753 9.557 -3.905 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.731 9.743 -3.803 1.00 25.00 H new ATOM 709 N TYR B 26 4.182 11.744 -7.791 1.00 25.00 N ATOM 710 CA TYR B 26 4.836 10.453 -7.977 1.00 25.00 C ATOM 711 C TYR B 26 5.902 10.331 -6.894 1.00 25.00 C ATOM 712 O TYR B 26 6.543 11.319 -6.563 1.00 25.00 O ATOM 713 CB TYR B 26 5.483 10.392 -9.359 1.00 25.00 C ATOM 714 CG TYR B 26 6.193 9.086 -9.600 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.473 7.943 -9.992 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.586 8.977 -9.418 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.131 6.709 -10.188 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.245 7.741 -9.613 1.00 25.00 C ATOM 719 CZ TYR B 26 7.511 6.616 -9.991 1.00 25.00 C ATOM 720 OH TYR B 26 8.152 5.416 -10.161 1.00 25.00 O ATOM 0 H TYR B 26 4.803 12.477 -7.449 1.00 25.00 H new ATOM 0 HA TYR B 26 4.116 9.637 -7.905 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.718 10.534 -10.122 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.192 11.213 -9.462 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.406 8.010 -10.145 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.156 9.847 -9.127 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.568 5.838 -10.490 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.313 7.668 -9.470 1.00 25.00 H new ATOM 0 HH TYR B 26 9.110 5.529 -9.985 1.00 25.00 H new ATOM 730 N THR B 27 6.086 9.140 -6.340 1.00 25.00 N ATOM 731 CA THR B 27 7.081 8.931 -5.283 1.00 25.00 C ATOM 732 C THR B 27 8.204 7.995 -5.764 1.00 25.00 C ATOM 733 O THR B 27 8.024 6.769 -5.822 1.00 25.00 O ATOM 734 CB THR B 27 6.428 8.353 -3.998 1.00 25.00 C ATOM 735 OG1 THR B 27 5.819 7.090 -4.285 1.00 25.00 O ATOM 736 CG2 THR B 27 5.349 9.286 -3.468 1.00 25.00 C ATOM 0 H THR B 27 5.564 8.303 -6.600 1.00 25.00 H new ATOM 0 HA THR B 27 7.510 9.904 -5.044 1.00 25.00 H new ATOM 0 HB THR B 27 7.213 8.240 -3.251 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.395 6.580 -4.892 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.908 8.858 -2.568 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.790 10.254 -3.231 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.576 9.415 -4.225 1.00 25.00 H new ATOM 744 N PRO B 28 9.368 8.552 -6.147 1.00 25.00 N ATOM 745 CA PRO B 28 10.451 7.665 -6.594 1.00 25.00 C ATOM 746 C PRO B 28 11.103 6.912 -5.433 1.00 25.00 C ATOM 747 O PRO B 28 10.966 7.294 -4.276 1.00 25.00 O ATOM 748 CB PRO B 28 11.438 8.642 -7.241 1.00 25.00 C ATOM 749 CG PRO B 28 11.258 9.893 -6.473 1.00 25.00 C ATOM 750 CD PRO B 28 9.778 9.971 -6.204 1.00 25.00 C ATOM 0 HA PRO B 28 10.102 6.880 -7.265 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.463 8.277 -7.175 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.220 8.788 -8.299 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.828 9.872 -5.544 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.603 10.758 -7.040 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.566 10.489 -5.269 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.253 10.510 -6.993 1.00 25.00 H new ATOM 758 N LYS B 29 11.826 5.841 -5.745 1.00 25.00 N ATOM 759 CA LYS B 29 12.527 5.072 -4.712 1.00 25.00 C ATOM 760 C LYS B 29 13.897 5.688 -4.475 1.00 25.00 C ATOM 761 O LYS B 29 14.885 5.265 -5.065 1.00 25.00 O ATOM 762 CB LYS B 29 12.721 3.610 -5.129 1.00 25.00 C ATOM 763 CG LYS B 29 11.433 2.826 -5.338 1.00 25.00 C ATOM 764 CD LYS B 29 11.674 1.297 -5.309 1.00 25.00 C ATOM 765 CE LYS B 29 12.598 0.791 -6.439 1.00 25.00 C ATOM 766 NZ LYS B 29 14.064 0.751 -6.042 1.00 25.00 N ATOM 0 H LYS B 29 11.944 5.485 -6.694 1.00 25.00 H new ATOM 0 HA LYS B 29 11.921 5.099 -3.806 1.00 25.00 H new ATOM 0 HB2 LYS B 29 13.298 3.585 -6.053 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.316 3.106 -4.367 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.715 3.095 -4.563 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.990 3.105 -6.294 1.00 25.00 H new ATOM 0 HD2 LYS B 29 12.109 1.025 -4.347 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.714 0.786 -5.381 1.00 25.00 H new ATOM 0 HE2 LYS B 29 12.282 -0.209 -6.738 1.00 25.00 H new ATOM 0 HE3 LYS B 29 12.482 1.436 -7.310 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 14.600 0.205 -6.747 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 14.438 1.720 -5.997 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 14.159 0.300 -5.110 1.00 25.00 H new ATOM 780 N THR B 30 13.953 6.697 -3.623 1.00 25.00 N ATOM 781 CA THR B 30 15.214 7.360 -3.291 1.00 25.00 C ATOM 782 C THR B 30 16.069 6.508 -2.367 1.00 25.00 C ATOM 783 O THR B 30 15.642 5.859 -1.436 1.00 25.00 O ATOM 784 CB THR B 30 14.930 8.724 -2.654 1.00 25.00 C ATOM 785 OG1 THR B 30 13.948 8.535 -1.640 1.00 25.00 O ATOM 786 CG2 THR B 30 14.339 9.696 -3.686 1.00 25.00 C ATOM 787 OXT THR B 30 17.328 6.539 -2.648 1.00 25.00 O ATOM 0 H THR B 30 13.139 7.081 -3.143 1.00 25.00 H new ATOM 0 HA THR B 30 15.776 7.503 -4.214 1.00 25.00 H new ATOM 0 HB THR B 30 15.861 9.133 -2.261 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.748 9.395 -1.214 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.146 10.658 -3.211 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.046 9.831 -4.505 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.406 9.290 -4.076 1.00 25.00 H new TER 796 THR B 30