USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 1 PHE N :NH3+ 178:sc= 0.63 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.36 K(o=0.99,f=-0.35) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.543 K(o=1.2,f=-1.4) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.677 K(o=1.2,f=-0.52) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 3 ASN : amide:sc= 0.666 K(o=0.67,f=-0.0015) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.213 USER MOD Set 4.2: A 9 SER OG : rot 73:sc= 0.225 USER MOD Single : A 1 GLY N :NH3+ -157:sc= 1.18 (180deg=0.794) USER MOD Single : A 5 GLN : amide:sc= 0.657 K(o=0.66,f=-0.37) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 9 SER OG : rot 92:sc= 1.97 USER MOD Single : B 10 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.23) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.750 -24.084 7.758 1.00 0.00 N ATOM 2 CA GLY A 1 -8.479 -23.713 6.521 1.00 0.00 C ATOM 3 C GLY A 1 -7.890 -22.474 5.859 1.00 0.00 C ATOM 4 O GLY A 1 -6.999 -21.834 6.417 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.900 -25.093 7.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.734 -23.904 7.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.104 -23.515 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.450 -24.547 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.527 -23.533 6.759 1.00 0.00 H new ATOM 10 N ILE A 2 -8.381 -22.116 4.664 1.00 0.00 N ATOM 11 CA ILE A 2 -7.787 -21.061 3.812 1.00 0.00 C ATOM 12 C ILE A 2 -7.674 -19.702 4.511 1.00 0.00 C ATOM 13 O ILE A 2 -6.590 -19.128 4.537 1.00 0.00 O ATOM 14 CB ILE A 2 -8.486 -20.984 2.427 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.916 -19.876 1.505 1.00 0.00 C ATOM 16 CG2 ILE A 2 -10.024 -20.928 2.490 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.570 -18.484 1.567 1.00 0.00 C ATOM 0 H ILE A 2 -9.208 -22.550 4.253 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.755 -21.358 3.626 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.240 -21.941 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.857 -19.759 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.980 -20.231 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.428 -20.876 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.401 -21.823 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.333 -20.046 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.067 -17.814 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.623 -18.565 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.483 -18.086 2.578 1.00 0.00 H new ATOM 29 N VAL A 3 -8.740 -19.185 5.132 1.00 0.00 N ATOM 30 CA VAL A 3 -8.678 -17.840 5.740 1.00 0.00 C ATOM 31 C VAL A 3 -7.774 -17.813 6.983 1.00 0.00 C ATOM 32 O VAL A 3 -7.074 -16.828 7.186 1.00 0.00 O ATOM 33 CB VAL A 3 -10.080 -17.258 6.002 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.030 -15.838 6.579 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.927 -17.238 4.724 1.00 0.00 C ATOM 0 H VAL A 3 -9.638 -19.659 5.229 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.210 -17.178 5.011 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.539 -17.917 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.045 -15.476 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.490 -15.849 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.520 -15.178 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.910 -16.821 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.434 -16.624 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.040 -18.254 4.347 1.00 0.00 H new ATOM 45 N GLU A 4 -7.684 -18.902 7.761 1.00 0.00 N ATOM 46 CA GLU A 4 -6.710 -19.017 8.870 1.00 0.00 C ATOM 47 C GLU A 4 -5.259 -18.940 8.363 1.00 0.00 C ATOM 48 O GLU A 4 -4.435 -18.252 8.967 1.00 0.00 O ATOM 49 CB GLU A 4 -6.904 -20.337 9.641 1.00 0.00 C ATOM 50 CG GLU A 4 -8.088 -20.311 10.627 1.00 0.00 C ATOM 51 CD GLU A 4 -8.892 -21.628 10.728 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.902 -21.656 11.473 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.579 -22.631 10.043 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.276 -19.724 7.645 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.894 -18.175 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.056 -21.146 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.990 -20.564 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.709 -20.059 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.768 -19.511 10.332 1.00 0.00 H new ATOM 60 N GLN A 5 -4.960 -19.581 7.225 1.00 0.00 N ATOM 61 CA GLN A 5 -3.680 -19.430 6.525 1.00 0.00 C ATOM 62 C GLN A 5 -3.455 -17.967 6.094 1.00 0.00 C ATOM 63 O GLN A 5 -2.363 -17.443 6.304 1.00 0.00 O ATOM 64 CB GLN A 5 -3.623 -20.438 5.356 1.00 0.00 C ATOM 65 CG GLN A 5 -2.536 -20.195 4.292 1.00 0.00 C ATOM 66 CD GLN A 5 -1.105 -20.479 4.744 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.833 -21.167 5.721 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.127 -19.983 4.018 1.00 0.00 N ATOM 0 H GLN A 5 -5.604 -20.222 6.763 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.853 -19.662 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.477 -21.435 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.593 -20.439 4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.755 -20.816 3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.597 -19.157 3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.338 -19.409 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.843 -20.173 4.271 1.00 0.00 H new ATOM 77 N CYS A 6 -4.468 -17.274 5.559 1.00 0.00 N ATOM 78 CA CYS A 6 -4.326 -15.876 5.124 1.00 0.00 C ATOM 79 C CYS A 6 -4.166 -14.878 6.290 1.00 0.00 C ATOM 80 O CYS A 6 -3.506 -13.851 6.131 1.00 0.00 O ATOM 81 CB CYS A 6 -5.497 -15.462 4.223 1.00 0.00 C ATOM 82 SG CYS A 6 -5.928 -16.606 2.881 1.00 0.00 S ATOM 0 H CYS A 6 -5.401 -17.660 5.416 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.398 -15.834 4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.378 -15.324 4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.263 -14.492 3.783 1.00 0.00 H new ATOM 87 N CYS A 7 -4.722 -15.170 7.473 1.00 0.00 N ATOM 88 CA CYS A 7 -4.557 -14.339 8.672 1.00 0.00 C ATOM 89 C CYS A 7 -3.095 -14.283 9.172 1.00 0.00 C ATOM 90 O CYS A 7 -2.692 -13.271 9.752 1.00 0.00 O ATOM 91 CB CYS A 7 -5.468 -14.867 9.792 1.00 0.00 C ATOM 92 SG CYS A 7 -7.263 -14.790 9.506 1.00 0.00 S ATOM 0 H CYS A 7 -5.303 -15.995 7.626 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.837 -13.322 8.398 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.200 -15.906 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.246 -14.307 10.701 1.00 0.00 H new ATOM 97 N THR A 8 -2.297 -15.341 8.960 1.00 0.00 N ATOM 98 CA THR A 8 -0.898 -15.441 9.438 1.00 0.00 C ATOM 99 C THR A 8 0.154 -15.340 8.324 1.00 0.00 C ATOM 100 O THR A 8 1.274 -14.891 8.578 1.00 0.00 O ATOM 101 CB THR A 8 -0.666 -16.759 10.201 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.782 -17.869 9.333 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.645 -16.960 11.360 1.00 0.00 C ATOM 0 H THR A 8 -2.604 -16.166 8.445 1.00 0.00 H new ATOM 0 HA THR A 8 -0.769 -14.581 10.096 1.00 0.00 H new ATOM 0 HB THR A 8 0.343 -16.689 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.629 -18.696 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.430 -17.906 11.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.538 -16.142 12.073 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.665 -16.975 10.976 1.00 0.00 H new ATOM 111 N SER A 9 -0.189 -15.756 7.100 1.00 0.00 N ATOM 112 CA SER A 9 0.749 -16.101 6.018 1.00 0.00 C ATOM 113 C SER A 9 0.179 -15.769 4.625 1.00 0.00 C ATOM 114 O SER A 9 -0.952 -15.299 4.492 1.00 0.00 O ATOM 115 CB SER A 9 1.069 -17.605 6.096 1.00 0.00 C ATOM 116 OG SER A 9 1.618 -17.980 7.349 1.00 0.00 O ATOM 0 H SER A 9 -1.164 -15.867 6.822 1.00 0.00 H new ATOM 0 HA SER A 9 1.652 -15.505 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.158 -18.177 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.770 -17.865 5.303 1.00 0.00 H new ATOM 0 HG SER A 9 0.915 -17.967 8.031 1.00 0.00 H new ATOM 122 N ILE A 10 0.967 -15.993 3.566 1.00 0.00 N ATOM 123 CA ILE A 10 0.544 -15.765 2.172 1.00 0.00 C ATOM 124 C ILE A 10 -0.598 -16.695 1.709 1.00 0.00 C ATOM 125 O ILE A 10 -0.761 -17.816 2.197 1.00 0.00 O ATOM 126 CB ILE A 10 1.747 -15.790 1.192 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.795 -16.913 1.386 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.482 -14.442 1.273 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.256 -18.343 1.271 1.00 0.00 C ATOM 0 H ILE A 10 1.923 -16.340 3.649 1.00 0.00 H new ATOM 0 HA ILE A 10 0.125 -14.759 2.154 1.00 0.00 H new ATOM 0 HB ILE A 10 1.292 -15.991 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.585 -16.780 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.253 -16.793 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.330 -14.448 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.799 -13.638 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.839 -14.283 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.070 -19.052 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.488 -18.504 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.826 -18.491 0.280 1.00 0.00 H new ATOM 141 N CYS A 11 -1.368 -16.216 0.727 1.00 0.00 N ATOM 142 CA CYS A 11 -2.474 -16.918 0.065 1.00 0.00 C ATOM 143 C CYS A 11 -2.499 -16.638 -1.446 1.00 0.00 C ATOM 144 O CYS A 11 -2.098 -15.561 -1.892 1.00 0.00 O ATOM 145 CB CYS A 11 -3.805 -16.507 0.710 1.00 0.00 C ATOM 146 SG CYS A 11 -4.176 -17.407 2.229 1.00 0.00 S ATOM 0 H CYS A 11 -1.230 -15.278 0.352 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.324 -17.990 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.780 -15.439 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.612 -16.669 -0.005 1.00 0.00 H new ATOM 151 N SER A 12 -3.011 -17.596 -2.220 1.00 0.00 N ATOM 152 CA SER A 12 -3.065 -17.581 -3.693 1.00 0.00 C ATOM 153 C SER A 12 -4.337 -18.276 -4.196 1.00 0.00 C ATOM 154 O SER A 12 -5.012 -18.967 -3.430 1.00 0.00 O ATOM 155 CB SER A 12 -1.822 -18.278 -4.275 1.00 0.00 C ATOM 156 OG SER A 12 -0.627 -17.616 -3.888 1.00 0.00 O ATOM 0 H SER A 12 -3.419 -18.444 -1.825 1.00 0.00 H new ATOM 0 HA SER A 12 -3.082 -16.543 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.792 -19.314 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.891 -18.300 -5.363 1.00 0.00 H new ATOM 0 HG SER A 12 0.145 -18.083 -4.272 1.00 0.00 H new ATOM 162 N LEU A 13 -4.671 -18.141 -5.485 1.00 0.00 N ATOM 163 CA LEU A 13 -5.895 -18.724 -6.064 1.00 0.00 C ATOM 164 C LEU A 13 -5.924 -20.264 -5.970 1.00 0.00 C ATOM 165 O LEU A 13 -6.997 -20.855 -5.868 1.00 0.00 O ATOM 166 CB LEU A 13 -6.083 -18.251 -7.520 1.00 0.00 C ATOM 167 CG LEU A 13 -6.493 -16.769 -7.673 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.301 -15.805 -7.667 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.233 -16.566 -8.996 1.00 0.00 C ATOM 0 H LEU A 13 -4.104 -17.626 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.734 -18.364 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.152 -18.414 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.841 -18.874 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.124 -16.546 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.660 -14.782 -7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.761 -15.900 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.633 -16.047 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.519 -15.519 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.581 -16.845 -9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.127 -17.189 -9.012 1.00 0.00 H new ATOM 181 N TYR A 14 -4.759 -20.914 -5.896 1.00 0.00 N ATOM 182 CA TYR A 14 -4.625 -22.348 -5.606 1.00 0.00 C ATOM 183 C TYR A 14 -5.209 -22.744 -4.231 1.00 0.00 C ATOM 184 O TYR A 14 -5.794 -23.820 -4.096 1.00 0.00 O ATOM 185 CB TYR A 14 -3.132 -22.703 -5.720 1.00 0.00 C ATOM 186 CG TYR A 14 -2.738 -24.149 -5.458 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.562 -24.423 -4.729 1.00 0.00 C ATOM 188 CD2 TYR A 14 -3.494 -25.217 -5.985 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.148 -25.753 -4.518 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.087 -26.548 -5.769 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.912 -26.821 -5.037 1.00 0.00 C ATOM 192 OH TYR A 14 -1.516 -28.111 -4.847 1.00 0.00 O ATOM 0 H TYR A 14 -3.862 -20.450 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.210 -22.919 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.798 -22.439 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.581 -22.071 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.976 -23.608 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.388 -25.013 -6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.246 -25.956 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.676 -27.362 -6.165 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.160 -28.717 -5.270 1.00 0.00 H new ATOM 202 N GLN A 15 -5.129 -21.865 -3.221 1.00 0.00 N ATOM 203 CA GLN A 15 -5.784 -22.063 -1.919 1.00 0.00 C ATOM 204 C GLN A 15 -7.288 -21.741 -1.941 1.00 0.00 C ATOM 205 O GLN A 15 -8.035 -22.320 -1.154 1.00 0.00 O ATOM 206 CB GLN A 15 -5.070 -21.260 -0.816 1.00 0.00 C ATOM 207 CG GLN A 15 -3.667 -21.793 -0.477 1.00 0.00 C ATOM 208 CD GLN A 15 -3.656 -23.152 0.236 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.670 -23.793 0.490 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.492 -23.650 0.595 1.00 0.00 N ATOM 0 H GLN A 15 -4.605 -20.992 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.700 -23.126 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.988 -20.220 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.682 -21.273 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.092 -21.876 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.157 -21.063 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.634 -23.136 0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.448 -24.550 1.073 1.00 0.00 H new ATOM 219 N LEU A 16 -7.766 -20.890 -2.860 1.00 0.00 N ATOM 220 CA LEU A 16 -9.209 -20.757 -3.113 1.00 0.00 C ATOM 221 C LEU A 16 -9.764 -22.046 -3.739 1.00 0.00 C ATOM 222 O LEU A 16 -10.728 -22.605 -3.226 1.00 0.00 O ATOM 223 CB LEU A 16 -9.532 -19.528 -3.987 1.00 0.00 C ATOM 224 CG LEU A 16 -9.058 -18.170 -3.437 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.558 -17.056 -4.359 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.572 -17.888 -2.024 1.00 0.00 C ATOM 0 H LEU A 16 -7.180 -20.287 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.700 -20.599 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.084 -19.677 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.611 -19.483 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.969 -18.204 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.226 -16.091 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.157 -17.206 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.647 -17.077 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.205 -16.917 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.662 -17.882 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.216 -18.663 -1.346 1.00 0.00 H new ATOM 238 N GLU A 17 -9.110 -22.579 -4.776 1.00 0.00 N ATOM 239 CA GLU A 17 -9.456 -23.857 -5.430 1.00 0.00 C ATOM 240 C GLU A 17 -9.402 -25.080 -4.486 1.00 0.00 C ATOM 241 O GLU A 17 -10.011 -26.113 -4.770 1.00 0.00 O ATOM 242 CB GLU A 17 -8.513 -24.088 -6.625 1.00 0.00 C ATOM 243 CG GLU A 17 -8.773 -23.155 -7.820 1.00 0.00 C ATOM 244 CD GLU A 17 -10.076 -23.464 -8.590 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.697 -22.522 -9.134 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.483 -24.644 -8.709 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.301 -22.125 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.492 -23.768 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.483 -23.956 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.611 -25.122 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.810 -22.126 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.932 -23.222 -8.510 1.00 0.00 H new ATOM 253 N ASN A 18 -8.717 -24.970 -3.341 1.00 0.00 N ATOM 254 CA ASN A 18 -8.673 -25.997 -2.293 1.00 0.00 C ATOM 255 C ASN A 18 -10.053 -26.228 -1.621 1.00 0.00 C ATOM 256 O ASN A 18 -10.309 -27.318 -1.106 1.00 0.00 O ATOM 257 CB ASN A 18 -7.586 -25.571 -1.282 1.00 0.00 C ATOM 258 CG ASN A 18 -7.030 -26.682 -0.403 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.374 -27.852 -0.495 1.00 0.00 O ATOM 260 ND2 ASN A 18 -6.101 -26.348 0.465 1.00 0.00 N ATOM 0 H ASN A 18 -8.164 -24.144 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.421 -26.963 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.760 -25.121 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.999 -24.795 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.674 -27.062 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.808 -25.375 0.549 1.00 0.00 H new ATOM 267 N TYR A 19 -10.958 -25.235 -1.665 1.00 0.00 N ATOM 268 CA TYR A 19 -12.305 -25.295 -1.060 1.00 0.00 C ATOM 269 C TYR A 19 -13.432 -24.867 -2.020 1.00 0.00 C ATOM 270 O TYR A 19 -14.510 -25.464 -2.009 1.00 0.00 O ATOM 271 CB TYR A 19 -12.306 -24.486 0.247 1.00 0.00 C ATOM 272 CG TYR A 19 -11.263 -24.966 1.244 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.482 -26.154 1.971 1.00 0.00 C ATOM 274 CD2 TYR A 19 -10.042 -24.276 1.383 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.487 -26.648 2.837 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.051 -24.760 2.259 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.272 -25.944 2.991 1.00 0.00 C ATOM 278 OH TYR A 19 -8.315 -26.391 3.851 1.00 0.00 O ATOM 0 H TYR A 19 -10.772 -24.348 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.527 -26.338 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.125 -23.436 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.293 -24.547 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.415 -26.687 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.866 -23.374 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.653 -27.565 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.120 -24.223 2.370 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.546 -25.784 3.828 1.00 0.00 H new ATOM 288 N CYS A 20 -13.172 -23.924 -2.931 1.00 0.00 N ATOM 289 CA CYS A 20 -13.909 -23.753 -4.187 1.00 0.00 C ATOM 290 C CYS A 20 -13.555 -24.907 -5.156 1.00 0.00 C ATOM 291 O CYS A 20 -12.842 -24.715 -6.142 1.00 0.00 O ATOM 292 CB CYS A 20 -13.609 -22.357 -4.767 1.00 0.00 C ATOM 293 SG CYS A 20 -14.529 -21.952 -6.278 1.00 0.00 S ATOM 0 H CYS A 20 -12.424 -23.241 -2.812 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.985 -23.804 -4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.834 -21.607 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.542 -22.287 -4.978 1.00 0.00 H new ATOM 298 N GLY A 21 -13.984 -26.130 -4.814 1.00 0.00 N ATOM 299 CA GLY A 21 -13.693 -27.380 -5.536 1.00 0.00 C ATOM 300 C GLY A 21 -14.596 -27.605 -6.746 1.00 0.00 C ATOM 301 O GLY A 21 -14.099 -27.499 -7.889 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.794 -27.898 -6.538 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.568 -26.283 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.654 -27.368 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.800 -28.220 -4.850 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -7.218 -9.334 -3.645 1.00 0.00 N ATOM 308 CA PHE B 1 -7.075 -10.695 -3.064 1.00 0.00 C ATOM 309 C PHE B 1 -5.615 -11.146 -2.902 1.00 0.00 C ATOM 310 O PHE B 1 -5.181 -11.363 -1.774 1.00 0.00 O ATOM 311 CB PHE B 1 -7.905 -11.764 -3.809 1.00 0.00 C ATOM 312 CG PHE B 1 -7.538 -13.187 -3.410 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.958 -14.061 -4.350 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.662 -13.596 -2.068 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.490 -15.322 -3.943 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.191 -14.858 -1.662 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.597 -15.719 -2.599 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.227 -9.109 -3.757 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.776 -8.638 -3.011 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.751 -9.302 -4.574 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.489 -10.603 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.964 -11.598 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.761 -11.645 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.873 -13.762 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.121 -12.937 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.046 -15.989 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.286 -15.164 -0.631 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.224 -16.683 -2.288 1.00 0.00 H new ATOM 329 N VAL B 2 -4.871 -11.378 -3.994 1.00 0.00 N ATOM 330 CA VAL B 2 -3.667 -12.240 -3.977 1.00 0.00 C ATOM 331 C VAL B 2 -2.567 -11.779 -3.001 1.00 0.00 C ATOM 332 O VAL B 2 -2.240 -10.595 -2.907 1.00 0.00 O ATOM 333 CB VAL B 2 -3.149 -12.471 -5.414 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.552 -11.217 -6.063 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.107 -13.591 -5.478 1.00 0.00 C ATOM 0 H VAL B 2 -5.080 -10.980 -4.909 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.978 -13.203 -3.571 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.038 -12.757 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.210 -11.456 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.312 -10.437 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.710 -10.865 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.772 -13.718 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.256 -13.332 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.551 -14.521 -5.124 1.00 0.00 H new ATOM 345 N ASN B 3 -2.005 -12.740 -2.260 1.00 0.00 N ATOM 346 CA ASN B 3 -0.904 -12.639 -1.285 1.00 0.00 C ATOM 347 C ASN B 3 -1.104 -11.708 -0.062 1.00 0.00 C ATOM 348 O ASN B 3 -0.326 -11.816 0.887 1.00 0.00 O ATOM 349 CB ASN B 3 0.433 -12.372 -2.015 1.00 0.00 C ATOM 350 CG ASN B 3 0.923 -13.438 -2.994 1.00 0.00 C ATOM 351 OD1 ASN B 3 1.860 -13.207 -3.745 1.00 0.00 O ATOM 352 ND2 ASN B 3 0.361 -14.627 -3.044 1.00 0.00 N ATOM 0 H ASN B 3 -2.339 -13.701 -2.332 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.888 -13.618 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.338 -11.432 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.206 -12.226 -1.260 1.00 0.00 H new ATOM 0 HD21 ASN B 3 0.709 -15.328 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.422 -14.847 -2.429 1.00 0.00 H new ATOM 359 N GLN B 4 -2.117 -10.834 -0.027 1.00 0.00 N ATOM 360 CA GLN B 4 -2.367 -9.932 1.111 1.00 0.00 C ATOM 361 C GLN B 4 -3.116 -10.627 2.267 1.00 0.00 C ATOM 362 O GLN B 4 -3.946 -11.515 2.059 1.00 0.00 O ATOM 363 CB GLN B 4 -3.042 -8.628 0.644 1.00 0.00 C ATOM 364 CG GLN B 4 -4.495 -8.780 0.142 1.00 0.00 C ATOM 365 CD GLN B 4 -4.777 -8.216 -1.257 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.861 -7.723 -1.539 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.877 -8.279 -2.216 1.00 0.00 N ATOM 0 H GLN B 4 -2.789 -10.730 -0.787 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.400 -9.654 1.530 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.033 -7.917 1.471 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.442 -8.194 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.752 -9.839 0.146 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.159 -8.288 0.853 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.959 -8.682 -2.028 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.098 -7.925 -3.147 1.00 0.00 H new ATOM 376 N HIS B 5 -2.824 -10.215 3.503 1.00 0.00 N ATOM 377 CA HIS B 5 -3.210 -10.906 4.746 1.00 0.00 C ATOM 378 C HIS B 5 -4.634 -10.585 5.250 1.00 0.00 C ATOM 379 O HIS B 5 -4.855 -10.404 6.451 1.00 0.00 O ATOM 380 CB HIS B 5 -2.129 -10.667 5.817 1.00 0.00 C ATOM 381 CG HIS B 5 -0.732 -11.001 5.350 1.00 0.00 C ATOM 382 ND1 HIS B 5 0.107 -10.152 4.619 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.113 -12.206 5.506 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.214 -10.868 4.356 1.00 0.00 C ATOM 385 NE2 HIS B 5 1.111 -12.102 4.880 1.00 0.00 N ATOM 0 H HIS B 5 -2.294 -9.361 3.677 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.263 -11.971 4.518 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.160 -9.622 6.126 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.362 -11.267 6.697 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.505 -13.072 6.019 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.066 -10.503 3.802 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.817 -12.836 4.824 1.00 0.00 H new ATOM 393 N LEU B 6 -5.608 -10.473 4.340 1.00 0.00 N ATOM 394 CA LEU B 6 -7.016 -10.215 4.679 1.00 0.00 C ATOM 395 C LEU B 6 -7.602 -11.408 5.466 1.00 0.00 C ATOM 396 O LEU B 6 -7.307 -12.567 5.165 1.00 0.00 O ATOM 397 CB LEU B 6 -7.781 -9.844 3.385 1.00 0.00 C ATOM 398 CG LEU B 6 -9.117 -9.073 3.503 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.328 -9.957 3.789 1.00 0.00 C ATOM 400 CD2 LEU B 6 -9.078 -7.932 4.522 1.00 0.00 C ATOM 0 H LEU B 6 -5.442 -10.559 3.337 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.117 -9.362 5.350 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.111 -9.249 2.765 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.980 -10.769 2.843 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.240 -8.648 2.507 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.223 -9.338 3.856 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.448 -10.682 2.984 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.179 -10.484 4.732 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -10.048 -7.437 4.551 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.846 -8.333 5.509 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.312 -7.212 4.233 1.00 0.00 H new ATOM 412 N CYS B 7 -8.384 -11.125 6.511 1.00 0.00 N ATOM 413 CA CYS B 7 -8.735 -12.081 7.569 1.00 0.00 C ATOM 414 C CYS B 7 -10.206 -11.940 8.025 1.00 0.00 C ATOM 415 O CYS B 7 -10.815 -10.876 7.876 1.00 0.00 O ATOM 416 CB CYS B 7 -7.721 -11.873 8.709 1.00 0.00 C ATOM 417 SG CYS B 7 -7.860 -12.955 10.157 1.00 0.00 S ATOM 0 H CYS B 7 -8.801 -10.205 6.650 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.672 -13.105 7.202 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.720 -11.991 8.295 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.805 -10.841 9.050 1.00 0.00 H new ATOM 422 N GLY B 8 -10.779 -13.015 8.582 1.00 0.00 N ATOM 423 CA GLY B 8 -12.199 -13.113 8.959 1.00 0.00 C ATOM 424 C GLY B 8 -13.145 -13.377 7.776 1.00 0.00 C ATOM 425 O GLY B 8 -12.713 -13.455 6.621 1.00 0.00 O ATOM 0 H GLY B 8 -10.255 -13.865 8.789 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.316 -13.914 9.689 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.498 -12.187 9.450 1.00 0.00 H new ATOM 429 N SER B 9 -14.448 -13.523 8.050 1.00 0.00 N ATOM 430 CA SER B 9 -15.450 -13.947 7.049 1.00 0.00 C ATOM 431 C SER B 9 -15.565 -13.049 5.815 1.00 0.00 C ATOM 432 O SER B 9 -16.021 -13.525 4.778 1.00 0.00 O ATOM 433 CB SER B 9 -16.842 -14.114 7.670 1.00 0.00 C ATOM 434 OG SER B 9 -17.440 -12.869 8.000 1.00 0.00 O ATOM 0 H SER B 9 -14.844 -13.351 8.974 1.00 0.00 H new ATOM 0 HA SER B 9 -15.067 -14.907 6.703 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.486 -14.650 6.973 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.765 -14.727 8.568 1.00 0.00 H new ATOM 0 HG SER B 9 -17.988 -12.560 7.248 1.00 0.00 H new ATOM 440 N HIS B 10 -15.093 -11.796 5.854 1.00 0.00 N ATOM 441 CA HIS B 10 -15.018 -10.944 4.658 1.00 0.00 C ATOM 442 C HIS B 10 -14.185 -11.568 3.529 1.00 0.00 C ATOM 443 O HIS B 10 -14.509 -11.337 2.365 1.00 0.00 O ATOM 444 CB HIS B 10 -14.496 -9.542 5.013 1.00 0.00 C ATOM 445 CG HIS B 10 -15.515 -8.618 5.649 1.00 0.00 C ATOM 446 ND1 HIS B 10 -15.353 -7.235 5.787 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.749 -8.958 6.129 1.00 0.00 C ATOM 448 CE1 HIS B 10 -16.494 -6.776 6.332 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.347 -7.791 6.550 1.00 0.00 N ATOM 0 H HIS B 10 -14.755 -11.347 6.706 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.036 -10.853 4.279 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.650 -9.648 5.693 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.119 -9.071 4.105 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -17.173 -9.950 6.170 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -16.696 -5.740 6.561 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.279 -7.711 6.958 1.00 0.00 H new ATOM 457 N LEU B 11 -13.183 -12.410 3.825 1.00 0.00 N ATOM 458 CA LEU B 11 -12.477 -13.164 2.782 1.00 0.00 C ATOM 459 C LEU B 11 -13.328 -14.312 2.201 1.00 0.00 C ATOM 460 O LEU B 11 -13.254 -14.564 1.003 1.00 0.00 O ATOM 461 CB LEU B 11 -11.106 -13.646 3.295 1.00 0.00 C ATOM 462 CG LEU B 11 -10.227 -14.307 2.209 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.064 -13.469 0.937 1.00 0.00 C ATOM 464 CD2 LEU B 11 -8.812 -14.529 2.739 1.00 0.00 C ATOM 0 H LEU B 11 -12.846 -12.584 4.772 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.298 -12.485 1.948 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.568 -12.797 3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.262 -14.358 4.105 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.746 -15.234 1.964 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.434 -14.004 0.227 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.042 -13.290 0.491 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.600 -12.515 1.187 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.202 -14.995 1.965 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.374 -13.571 3.018 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.849 -15.180 3.613 1.00 0.00 H new ATOM 476 N VAL B 12 -14.182 -14.965 2.999 1.00 0.00 N ATOM 477 CA VAL B 12 -15.154 -15.969 2.511 1.00 0.00 C ATOM 478 C VAL B 12 -16.232 -15.307 1.641 1.00 0.00 C ATOM 479 O VAL B 12 -16.557 -15.784 0.555 1.00 0.00 O ATOM 480 CB VAL B 12 -15.821 -16.740 3.671 1.00 0.00 C ATOM 481 CG1 VAL B 12 -16.743 -17.852 3.158 1.00 0.00 C ATOM 482 CG2 VAL B 12 -14.790 -17.389 4.599 1.00 0.00 C ATOM 0 H VAL B 12 -14.224 -14.816 4.007 1.00 0.00 H new ATOM 0 HA VAL B 12 -14.594 -16.684 1.908 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.398 -15.996 4.220 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.193 -18.371 4.004 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -17.528 -17.417 2.540 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.164 -18.560 2.565 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.305 -17.920 5.400 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.180 -18.092 4.031 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.150 -16.618 5.028 1.00 0.00 H new ATOM 492 N GLU B 13 -16.751 -14.164 2.088 1.00 0.00 N ATOM 493 CA GLU B 13 -17.747 -13.362 1.369 1.00 0.00 C ATOM 494 C GLU B 13 -17.184 -12.800 0.049 1.00 0.00 C ATOM 495 O GLU B 13 -17.885 -12.794 -0.965 1.00 0.00 O ATOM 496 CB GLU B 13 -18.257 -12.239 2.290 1.00 0.00 C ATOM 497 CG GLU B 13 -19.038 -12.777 3.506 1.00 0.00 C ATOM 498 CD GLU B 13 -19.159 -11.729 4.631 1.00 0.00 C ATOM 499 OE1 GLU B 13 -19.609 -10.589 4.360 1.00 0.00 O ATOM 500 OE2 GLU B 13 -18.826 -12.047 5.800 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.485 -13.757 2.985 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.584 -14.005 1.097 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.410 -11.648 2.639 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -18.899 -11.569 1.718 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.035 -13.084 3.189 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.539 -13.666 3.892 1.00 0.00 H new ATOM 507 N ALA B 14 -15.904 -12.408 0.022 1.00 0.00 N ATOM 508 CA ALA B 14 -15.187 -12.060 -1.206 1.00 0.00 C ATOM 509 C ALA B 14 -14.915 -13.285 -2.101 1.00 0.00 C ATOM 510 O ALA B 14 -15.057 -13.188 -3.316 1.00 0.00 O ATOM 511 CB ALA B 14 -13.884 -11.343 -0.833 1.00 0.00 C ATOM 0 H ALA B 14 -15.333 -12.323 0.863 1.00 0.00 H new ATOM 0 HA ALA B 14 -15.818 -11.395 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.341 -11.079 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.115 -10.438 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.268 -12.002 -0.221 1.00 0.00 H new ATOM 517 N LEU B 15 -14.584 -14.451 -1.539 1.00 0.00 N ATOM 518 CA LEU B 15 -14.363 -15.714 -2.263 1.00 0.00 C ATOM 519 C LEU B 15 -15.623 -16.163 -3.039 1.00 0.00 C ATOM 520 O LEU B 15 -15.506 -16.566 -4.199 1.00 0.00 O ATOM 521 CB LEU B 15 -13.770 -16.710 -1.235 1.00 0.00 C ATOM 522 CG LEU B 15 -13.671 -18.226 -1.490 1.00 0.00 C ATOM 523 CD1 LEU B 15 -14.906 -18.958 -0.970 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.379 -18.632 -2.931 1.00 0.00 C ATOM 0 H LEU B 15 -14.457 -14.549 -0.532 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.641 -15.620 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -12.758 -16.366 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.348 -16.588 -0.319 1.00 0.00 H new ATOM 0 HG LEU B 15 -12.792 -18.534 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.805 -20.026 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.002 -18.793 0.103 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.794 -18.579 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.330 -19.719 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.172 -18.262 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.426 -18.205 -3.243 1.00 0.00 H new ATOM 536 N TYR B 16 -16.830 -15.954 -2.499 1.00 0.00 N ATOM 537 CA TYR B 16 -18.096 -16.119 -3.242 1.00 0.00 C ATOM 538 C TYR B 16 -18.271 -15.173 -4.451 1.00 0.00 C ATOM 539 O TYR B 16 -19.070 -15.480 -5.337 1.00 0.00 O ATOM 540 CB TYR B 16 -19.296 -16.009 -2.287 1.00 0.00 C ATOM 541 CG TYR B 16 -19.494 -17.196 -1.357 1.00 0.00 C ATOM 542 CD1 TYR B 16 -19.718 -18.481 -1.894 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.520 -17.013 0.040 1.00 0.00 C ATOM 544 CE1 TYR B 16 -19.932 -19.582 -1.042 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.750 -18.109 0.895 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.947 -19.399 0.358 1.00 0.00 C ATOM 547 OH TYR B 16 -20.166 -20.453 1.192 1.00 0.00 O ATOM 0 H TYR B 16 -16.962 -15.664 -1.530 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.050 -17.120 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.178 -15.110 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.201 -15.877 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -19.725 -18.621 -2.965 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.363 -16.029 0.457 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.085 -20.566 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.776 -17.961 1.965 1.00 0.00 H new ATOM 0 HH TYR B 16 -20.141 -20.145 2.122 1.00 0.00 H new ATOM 557 N LEU B 17 -17.522 -14.067 -4.538 1.00 0.00 N ATOM 558 CA LEU B 17 -17.473 -13.184 -5.715 1.00 0.00 C ATOM 559 C LEU B 17 -16.276 -13.496 -6.639 1.00 0.00 C ATOM 560 O LEU B 17 -16.418 -13.479 -7.862 1.00 0.00 O ATOM 561 CB LEU B 17 -17.442 -11.711 -5.255 1.00 0.00 C ATOM 562 CG LEU B 17 -18.610 -11.278 -4.346 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.402 -9.832 -3.893 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.964 -11.368 -5.053 1.00 0.00 C ATOM 0 H LEU B 17 -16.920 -13.752 -3.777 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.372 -13.364 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.506 -11.533 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.435 -11.072 -6.138 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.620 -11.960 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.229 -9.529 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.466 -9.755 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.362 -9.180 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.753 -11.052 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.961 -10.719 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.144 -12.397 -5.365 1.00 0.00 H new ATOM 576 N VAL B 18 -15.105 -13.794 -6.062 1.00 0.00 N ATOM 577 CA VAL B 18 -13.834 -14.033 -6.771 1.00 0.00 C ATOM 578 C VAL B 18 -13.822 -15.380 -7.501 1.00 0.00 C ATOM 579 O VAL B 18 -13.497 -15.419 -8.690 1.00 0.00 O ATOM 580 CB VAL B 18 -12.640 -13.903 -5.797 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.302 -14.364 -6.393 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.456 -12.442 -5.362 1.00 0.00 C ATOM 0 H VAL B 18 -15.009 -13.879 -5.050 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.735 -13.266 -7.539 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.890 -14.551 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.512 -14.243 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.373 -15.413 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.069 -13.763 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.611 -12.370 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.266 -11.823 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.360 -12.095 -4.861 1.00 0.00 H new ATOM 592 N CYS B 19 -14.193 -16.479 -6.829 1.00 0.00 N ATOM 593 CA CYS B 19 -14.300 -17.795 -7.473 1.00 0.00 C ATOM 594 C CYS B 19 -15.648 -17.954 -8.210 1.00 0.00 C ATOM 595 O CYS B 19 -15.696 -18.461 -9.330 1.00 0.00 O ATOM 596 CB CYS B 19 -14.037 -18.901 -6.440 1.00 0.00 C ATOM 597 SG CYS B 19 -13.473 -20.459 -7.180 1.00 0.00 S ATOM 0 H CYS B 19 -14.425 -16.482 -5.836 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.535 -17.884 -8.244 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.288 -18.553 -5.729 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.951 -19.085 -5.875 1.00 0.00 H new ATOM 602 N GLY B 20 -16.733 -17.428 -7.625 1.00 0.00 N ATOM 603 CA GLY B 20 -18.024 -17.159 -8.276 1.00 0.00 C ATOM 604 C GLY B 20 -18.930 -18.360 -8.600 1.00 0.00 C ATOM 605 O GLY B 20 -20.081 -18.400 -8.164 1.00 0.00 O ATOM 0 H GLY B 20 -16.735 -17.166 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.586 -16.479 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.825 -16.629 -9.207 1.00 0.00 H new ATOM 609 N GLU B 21 -18.460 -19.301 -9.420 1.00 0.00 N ATOM 610 CA GLU B 21 -19.326 -20.169 -10.244 1.00 0.00 C ATOM 611 C GLU B 21 -19.988 -21.360 -9.516 1.00 0.00 C ATOM 612 O GLU B 21 -21.215 -21.497 -9.532 1.00 0.00 O ATOM 613 CB GLU B 21 -18.617 -20.646 -11.541 1.00 0.00 C ATOM 614 CG GLU B 21 -17.121 -20.328 -11.746 1.00 0.00 C ATOM 615 CD GLU B 21 -16.157 -21.141 -10.855 1.00 0.00 C ATOM 616 OE1 GLU B 21 -14.955 -21.246 -11.195 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.581 -21.719 -9.829 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.464 -19.489 -9.537 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.153 -19.509 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.732 -21.728 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.160 -20.223 -12.386 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -16.866 -20.507 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -16.960 -19.267 -11.556 1.00 0.00 H new ATOM 624 N ARG B 22 -19.183 -22.258 -8.936 1.00 0.00 N ATOM 625 CA ARG B 22 -19.574 -23.643 -8.597 1.00 0.00 C ATOM 626 C ARG B 22 -20.615 -23.808 -7.480 1.00 0.00 C ATOM 627 O ARG B 22 -21.452 -24.708 -7.572 1.00 0.00 O ATOM 628 CB ARG B 22 -18.291 -24.427 -8.253 1.00 0.00 C ATOM 629 CG ARG B 22 -17.619 -24.998 -9.514 1.00 0.00 C ATOM 630 CD ARG B 22 -16.146 -25.349 -9.269 1.00 0.00 C ATOM 631 NE ARG B 22 -15.293 -24.160 -9.411 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.978 -24.097 -9.365 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.221 -25.107 -9.059 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.393 -22.978 -9.657 1.00 0.00 N ATOM 0 H ARG B 22 -18.219 -22.043 -8.681 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.085 -24.035 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.592 -23.772 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.534 -25.241 -7.570 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.155 -25.890 -9.839 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.689 -24.271 -10.323 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.029 -25.768 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.828 -26.116 -9.975 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.779 -23.276 -9.564 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.640 -26.010 -8.838 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.207 -24.997 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.950 -22.164 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.376 -22.911 -9.627 1.00 0.00 H new ATOM 648 N GLY B 23 -20.553 -22.991 -6.426 1.00 0.00 N ATOM 649 CA GLY B 23 -21.151 -23.310 -5.118 1.00 0.00 C ATOM 650 C GLY B 23 -20.303 -24.364 -4.387 1.00 0.00 C ATOM 651 O GLY B 23 -20.118 -25.482 -4.874 1.00 0.00 O ATOM 0 H GLY B 23 -20.086 -22.085 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.222 -22.406 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.166 -23.682 -5.256 1.00 0.00 H new ATOM 655 N PHE B 24 -19.684 -23.973 -3.272 1.00 0.00 N ATOM 656 CA PHE B 24 -18.371 -24.512 -2.886 1.00 0.00 C ATOM 657 C PHE B 24 -18.400 -25.631 -1.836 1.00 0.00 C ATOM 658 O PHE B 24 -19.309 -25.727 -1.008 1.00 0.00 O ATOM 659 CB PHE B 24 -17.474 -23.346 -2.443 1.00 0.00 C ATOM 660 CG PHE B 24 -17.406 -22.164 -3.400 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.178 -20.884 -2.869 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.587 -22.310 -4.794 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.160 -19.764 -3.712 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.619 -21.179 -5.629 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.415 -19.903 -5.083 1.00 0.00 C ATOM 0 H PHE B 24 -20.066 -23.288 -2.620 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.964 -25.005 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.827 -22.987 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.464 -23.726 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.016 -20.762 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.701 -23.296 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -16.948 -18.788 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.800 -21.292 -6.688 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.454 -19.030 -5.718 1.00 0.00 H new ATOM 675 N PHE B 25 -17.345 -26.450 -1.841 1.00 0.00 N ATOM 676 CA PHE B 25 -17.094 -27.553 -0.906 1.00 0.00 C ATOM 677 C PHE B 25 -16.408 -27.063 0.391 1.00 0.00 C ATOM 678 O PHE B 25 -15.454 -27.665 0.890 1.00 0.00 O ATOM 679 CB PHE B 25 -16.315 -28.650 -1.657 1.00 0.00 C ATOM 680 CG PHE B 25 -16.281 -30.002 -0.965 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.438 -30.804 -0.943 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.097 -30.472 -0.363 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.415 -32.064 -0.317 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.074 -31.730 0.266 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.233 -32.527 0.289 1.00 0.00 C ATOM 0 H PHE B 25 -16.602 -26.358 -2.534 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.034 -27.984 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.756 -28.776 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.290 -28.309 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.346 -30.451 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.204 -29.865 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.305 -32.676 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.166 -32.084 0.732 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.215 -33.493 0.771 1.00 0.00 H new ATOM 695 N TYR B 26 -16.859 -25.926 0.932 1.00 0.00 N ATOM 696 CA TYR B 26 -16.310 -25.350 2.163 1.00 0.00 C ATOM 697 C TYR B 26 -16.630 -26.273 3.357 1.00 0.00 C ATOM 698 O TYR B 26 -17.792 -26.621 3.584 1.00 0.00 O ATOM 699 CB TYR B 26 -16.827 -23.911 2.358 1.00 0.00 C ATOM 700 CG TYR B 26 -15.780 -22.970 2.930 1.00 0.00 C ATOM 701 CD1 TYR B 26 -15.246 -23.206 4.210 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.305 -21.886 2.162 1.00 0.00 C ATOM 703 CE1 TYR B 26 -14.219 -22.389 4.716 1.00 0.00 C ATOM 704 CE2 TYR B 26 -14.288 -21.054 2.670 1.00 0.00 C ATOM 705 CZ TYR B 26 -13.736 -21.313 3.941 1.00 0.00 C ATOM 706 OH TYR B 26 -12.728 -20.537 4.417 1.00 0.00 O ATOM 0 H TYR B 26 -17.618 -25.378 0.526 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.225 -25.282 2.091 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -17.170 -23.522 1.399 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.691 -23.929 3.022 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -15.627 -24.020 4.808 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -15.721 -21.694 1.184 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.802 -22.584 5.693 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -13.931 -20.218 2.086 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.513 -19.841 3.761 1.00 0.00 H new ATOM 716 N THR B 27 -15.597 -26.712 4.088 1.00 0.00 N ATOM 717 CA THR B 27 -15.690 -27.817 5.066 1.00 0.00 C ATOM 718 C THR B 27 -14.879 -27.675 6.379 1.00 0.00 C ATOM 719 O THR B 27 -15.357 -28.198 7.393 1.00 0.00 O ATOM 720 CB THR B 27 -15.424 -29.158 4.347 1.00 0.00 C ATOM 721 OG1 THR B 27 -15.742 -30.251 5.182 1.00 0.00 O ATOM 722 CG2 THR B 27 -13.981 -29.356 3.878 1.00 0.00 C ATOM 0 H THR B 27 -14.662 -26.310 4.020 1.00 0.00 H new ATOM 0 HA THR B 27 -16.712 -27.778 5.443 1.00 0.00 H new ATOM 0 HB THR B 27 -16.064 -29.116 3.466 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.567 -31.089 4.705 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.888 -30.324 3.385 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.714 -28.565 3.177 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.311 -29.321 4.737 1.00 0.00 H new ATOM 730 N PRO B 28 -13.722 -26.969 6.474 1.00 0.00 N ATOM 731 CA PRO B 28 -13.026 -26.768 7.754 1.00 0.00 C ATOM 732 C PRO B 28 -13.720 -25.661 8.573 1.00 0.00 C ATOM 733 O PRO B 28 -13.255 -24.518 8.633 1.00 0.00 O ATOM 734 CB PRO B 28 -11.578 -26.447 7.371 1.00 0.00 C ATOM 735 CG PRO B 28 -11.739 -25.669 6.069 1.00 0.00 C ATOM 736 CD PRO B 28 -12.950 -26.331 5.409 1.00 0.00 C ATOM 0 HA PRO B 28 -13.050 -27.642 8.405 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -11.078 -25.854 8.137 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.986 -27.352 7.231 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.911 -24.609 6.253 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.849 -25.744 5.443 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.555 -25.592 4.884 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.632 -27.066 4.670 1.00 0.00 H new ATOM 744 N LYS B 29 -14.878 -25.996 9.162 1.00 0.00 N ATOM 745 CA LYS B 29 -15.952 -25.045 9.522 1.00 0.00 C ATOM 746 C LYS B 29 -16.375 -24.219 8.284 1.00 0.00 C ATOM 747 O LYS B 29 -16.097 -24.610 7.149 1.00 0.00 O ATOM 748 CB LYS B 29 -15.558 -24.163 10.737 1.00 0.00 C ATOM 749 CG LYS B 29 -14.995 -24.884 11.981 1.00 0.00 C ATOM 750 CD LYS B 29 -13.473 -25.129 12.020 1.00 0.00 C ATOM 751 CE LYS B 29 -12.662 -23.837 11.830 1.00 0.00 C ATOM 752 NZ LYS B 29 -11.202 -24.061 11.984 1.00 0.00 N1+ ATOM 0 H LYS B 29 -15.104 -26.960 9.409 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.825 -25.612 9.844 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.816 -23.439 10.402 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.438 -23.598 11.044 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.267 -24.302 12.862 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.496 -25.848 12.069 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.206 -25.584 12.974 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.203 -25.841 11.240 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.862 -23.427 10.840 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.992 -23.093 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.698 -23.159 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.007 -24.443 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.877 -24.738 11.264 1.00 0.00 H new ATOM 766 N THR B 30 -16.997 -23.060 8.498 1.00 0.00 N ATOM 767 CA THR B 30 -16.943 -21.918 7.565 1.00 0.00 C ATOM 768 C THR B 30 -16.340 -20.731 8.321 1.00 0.00 C ATOM 769 O THR B 30 -16.745 -20.450 9.452 1.00 0.00 O ATOM 770 CB THR B 30 -18.319 -21.579 6.965 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.849 -22.709 6.302 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.233 -20.454 5.930 1.00 0.00 C ATOM 0 H THR B 30 -17.560 -22.878 9.329 1.00 0.00 H new ATOM 0 HA THR B 30 -16.319 -22.176 6.709 1.00 0.00 H new ATOM 0 HB THR B 30 -18.952 -21.266 7.795 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.725 -22.486 5.924 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.227 -20.248 5.533 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.837 -19.555 6.402 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.573 -20.757 5.117 1.00 0.00 H new ATOM 780 N ARG B 31 -15.320 -20.078 7.751 1.00 0.00 N ATOM 781 CA ARG B 31 -14.430 -19.160 8.488 1.00 0.00 C ATOM 782 C ARG B 31 -15.132 -17.874 8.961 1.00 0.00 C ATOM 783 O ARG B 31 -15.571 -17.059 8.150 1.00 0.00 O ATOM 784 CB ARG B 31 -13.180 -18.872 7.634 1.00 0.00 C ATOM 785 CG ARG B 31 -12.117 -19.980 7.771 1.00 0.00 C ATOM 786 CD ARG B 31 -11.034 -19.734 8.835 1.00 0.00 C ATOM 787 NE ARG B 31 -11.546 -19.620 10.214 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.918 -18.517 10.838 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.815 -17.334 10.314 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.461 -18.550 12.015 1.00 0.00 N ATOM 0 H ARG B 31 -15.084 -20.169 6.763 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.124 -19.654 9.410 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.470 -18.776 6.588 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.749 -17.917 7.934 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.623 -20.917 8.003 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.629 -20.112 6.805 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.312 -20.549 8.795 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.497 -18.820 8.584 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.621 -20.488 10.744 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.431 -17.224 9.375 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.118 -16.515 10.841 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.611 -19.444 12.483 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.738 -17.682 12.473 1.00 0.00 H new ATOM 804 N ARG B 32 -15.192 -17.707 10.289 1.00 0.00 N ATOM 805 CA ARG B 32 -15.672 -16.533 11.049 1.00 0.00 C ATOM 806 C ARG B 32 -14.553 -15.519 11.298 1.00 0.00 C ATOM 807 O ARG B 32 -14.726 -14.356 10.875 1.00 0.00 O ATOM 808 CB ARG B 32 -16.355 -17.052 12.336 1.00 0.00 C ATOM 809 CG ARG B 32 -16.493 -16.111 13.551 1.00 0.00 C ATOM 810 CD ARG B 32 -17.006 -14.683 13.312 1.00 0.00 C ATOM 811 NE ARG B 32 -18.190 -14.619 12.434 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.293 -13.931 11.313 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.287 -13.311 10.777 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.423 -13.860 10.675 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.521 -15.905 11.892 1.00 0.00 O1- ATOM 0 H ARG B 32 -14.881 -18.449 10.916 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.408 -15.973 10.473 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.357 -17.384 12.064 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.805 -17.934 12.666 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.161 -16.589 14.267 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.515 -16.038 14.027 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.251 -14.229 14.272 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.206 -14.087 12.873 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.007 -15.158 12.721 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.371 -13.344 11.224 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.412 -12.791 9.909 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.246 -14.340 11.040 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.487 -13.324 9.809 1.00 0.00 H new TER 829 ARG B 32