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 Set 1.1: B 4 GLN : amide:sc= 0.753 K(o=1.6,f=-1.5) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.855 K(o=1.6,f=-4.9!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.273 K(o=0.48,f=-1.7) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.204 K(o=0.48,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -166:sc= 0.305 (180deg=0.221) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.157 USER MOD Single : A 12 SER OG : rot -160:sc= -0.135 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 19 TYR OH : rot 27:sc= 0.154 USER MOD Single : A 21 ASN : amide:sc=-0.00684 X(o=-0.0068,f=0) USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0598 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.63 K(o=0.63,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-6.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -118:sc= 0.113 (180deg=-0.456) USER MOD Single : B 30 THR OG1 : rot 44:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.036 -0.485 -1.126 1.00 25.00 N ATOM 2 CA GLY A 1 1.590 0.880 -1.483 1.00 25.00 C ATOM 3 C GLY A 1 1.088 0.946 -2.902 1.00 25.00 C ATOM 4 O GLY A 1 1.223 -0.023 -3.642 1.00 25.00 O ATOM 0 H1 GLY A 1 2.149 -0.555 -0.095 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.327 -1.176 -1.444 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.946 -0.685 -1.588 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.800 1.195 -0.802 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.417 1.578 -1.356 1.00 25.00 H new ATOM 10 N ILE A 2 0.496 2.071 -3.285 1.00 25.00 N ATOM 11 CA ILE A 2 -0.119 2.219 -4.608 1.00 25.00 C ATOM 12 C ILE A 2 0.890 2.074 -5.763 1.00 25.00 C ATOM 13 O ILE A 2 0.573 1.498 -6.802 1.00 25.00 O ATOM 14 CB ILE A 2 -0.882 3.587 -4.685 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.813 3.603 -5.909 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.106 4.799 -4.673 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.747 4.814 -5.970 1.00 25.00 C ATOM 0 H ILE A 2 0.426 2.902 -2.697 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.829 1.401 -4.733 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.501 3.692 -3.794 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -1.206 3.581 -6.814 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.414 2.694 -5.906 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.459 5.730 -4.728 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.691 4.783 -3.753 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.776 4.731 -5.530 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.369 4.749 -6.862 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.383 4.828 -5.085 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -2.155 5.729 -6.006 1.00 25.00 H new ATOM 29 N VAL A 3 2.116 2.541 -5.569 1.00 25.00 N ATOM 30 CA VAL A 3 3.126 2.445 -6.619 1.00 25.00 C ATOM 31 C VAL A 3 3.507 0.986 -6.859 1.00 25.00 C ATOM 32 O VAL A 3 3.672 0.574 -7.996 1.00 25.00 O ATOM 33 CB VAL A 3 4.366 3.353 -6.310 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.057 2.953 -4.997 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.360 3.334 -7.475 1.00 25.00 C ATOM 0 H VAL A 3 2.434 2.985 -4.707 1.00 25.00 H new ATOM 0 HA VAL A 3 2.699 2.825 -7.547 1.00 25.00 H new ATOM 0 HB VAL A 3 3.998 4.372 -6.186 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.911 3.607 -4.821 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.352 3.047 -4.171 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.399 1.920 -5.066 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.212 3.971 -7.237 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.706 2.314 -7.642 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.871 3.703 -8.376 1.00 25.00 H new ATOM 45 N GLU A 4 3.566 0.173 -5.813 1.00 25.00 N ATOM 46 CA GLU A 4 3.877 -1.242 -5.995 1.00 25.00 C ATOM 47 C GLU A 4 2.764 -1.918 -6.768 1.00 25.00 C ATOM 48 O GLU A 4 3.033 -2.719 -7.645 1.00 25.00 O ATOM 49 CB GLU A 4 4.059 -1.968 -4.662 1.00 25.00 C ATOM 50 CG GLU A 4 5.374 -1.657 -3.970 1.00 25.00 C ATOM 51 CD GLU A 4 5.364 -0.321 -3.278 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.358 0.210 -2.856 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.533 0.220 -3.186 1.00 25.00 O ATOM 0 H GLU A 4 3.406 0.459 -4.847 1.00 25.00 H new ATOM 0 HA GLU A 4 4.816 -1.296 -6.546 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.237 -1.700 -3.998 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.994 -3.043 -4.832 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.590 -2.438 -3.241 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.179 -1.675 -4.704 1.00 25.00 H new ATOM 61 N GLN A 5 1.521 -1.581 -6.450 1.00 25.00 N ATOM 62 CA GLN A 5 0.375 -2.187 -7.121 1.00 25.00 C ATOM 63 C GLN A 5 0.432 -1.928 -8.625 1.00 25.00 C ATOM 64 O GLN A 5 0.176 -2.827 -9.418 1.00 25.00 O ATOM 65 CB GLN A 5 -0.927 -1.638 -6.526 1.00 25.00 C ATOM 66 CG GLN A 5 -2.177 -2.382 -6.987 1.00 25.00 C ATOM 67 CD GLN A 5 -3.403 -1.997 -6.184 1.00 25.00 C ATOM 68 OE1 GLN A 5 -3.424 -0.978 -5.507 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.416 -2.822 -6.232 1.00 25.00 N ATOM 0 H GLN A 5 1.280 -0.895 -5.735 1.00 25.00 H new ATOM 0 HA GLN A 5 0.406 -3.265 -6.964 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.867 -1.686 -5.439 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.022 -0.586 -6.794 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.355 -2.171 -8.041 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.011 -3.456 -6.900 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.363 -3.662 -6.808 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.260 -2.625 -5.694 1.00 25.00 H new ATOM 78 N CYS A 6 0.821 -0.723 -9.015 1.00 25.00 N ATOM 79 CA CYS A 6 0.955 -0.393 -10.433 1.00 25.00 C ATOM 80 C CYS A 6 2.189 -1.037 -11.065 1.00 25.00 C ATOM 81 O CYS A 6 2.152 -1.449 -12.220 1.00 25.00 O ATOM 82 CB CYS A 6 1.033 1.125 -10.624 1.00 25.00 C ATOM 83 SG CYS A 6 -0.526 2.007 -10.287 1.00 25.00 S ATOM 0 H CYS A 6 1.049 0.040 -8.378 1.00 25.00 H new ATOM 0 HA CYS A 6 0.070 -0.790 -10.931 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.810 1.522 -9.970 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.341 1.335 -11.648 1.00 25.00 H new ATOM 88 N CYS A 7 3.287 -1.109 -10.329 1.00 25.00 N ATOM 89 CA CYS A 7 4.524 -1.661 -10.871 1.00 25.00 C ATOM 90 C CYS A 7 4.443 -3.173 -11.079 1.00 25.00 C ATOM 91 O CYS A 7 4.855 -3.682 -12.115 1.00 25.00 O ATOM 92 CB CYS A 7 5.703 -1.355 -9.940 1.00 25.00 C ATOM 93 SG CYS A 7 6.177 0.406 -9.898 1.00 25.00 S ATOM 0 H CYS A 7 3.350 -0.795 -9.361 1.00 25.00 H new ATOM 0 HA CYS A 7 4.676 -1.188 -11.841 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.448 -1.676 -8.930 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.564 -1.945 -10.255 1.00 25.00 H new ATOM 98 N THR A 8 3.985 -3.895 -10.065 1.00 25.00 N ATOM 99 CA THR A 8 3.995 -5.360 -10.102 1.00 25.00 C ATOM 100 C THR A 8 2.739 -5.965 -10.734 1.00 25.00 C ATOM 101 O THR A 8 2.769 -7.086 -11.232 1.00 25.00 O ATOM 102 CB THR A 8 4.236 -5.944 -8.673 1.00 25.00 C ATOM 103 OG1 THR A 8 4.719 -7.286 -8.773 1.00 25.00 O ATOM 104 CG2 THR A 8 2.975 -5.964 -7.818 1.00 25.00 C ATOM 0 H THR A 8 3.602 -3.496 -9.208 1.00 25.00 H new ATOM 0 HA THR A 8 4.824 -5.644 -10.751 1.00 25.00 H new ATOM 0 HB THR A 8 4.965 -5.290 -8.194 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.870 -7.647 -7.875 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.207 -6.380 -6.838 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.599 -4.948 -7.701 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.216 -6.578 -8.303 1.00 25.00 H new ATOM 112 N SER A 9 1.638 -5.226 -10.737 1.00 25.00 N ATOM 113 CA SER A 9 0.384 -5.742 -11.274 1.00 25.00 C ATOM 114 C SER A 9 -0.338 -4.647 -12.048 1.00 25.00 C ATOM 115 O SER A 9 0.269 -3.646 -12.403 1.00 25.00 O ATOM 116 CB SER A 9 -0.493 -6.296 -10.147 1.00 25.00 C ATOM 117 OG SER A 9 -1.532 -7.114 -10.666 1.00 25.00 O ATOM 0 H SER A 9 1.586 -4.273 -10.376 1.00 25.00 H new ATOM 0 HA SER A 9 0.599 -6.561 -11.960 1.00 25.00 H new ATOM 0 HB2 SER A 9 0.120 -6.875 -9.456 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.924 -5.472 -9.578 1.00 25.00 H new ATOM 0 HG SER A 9 -2.077 -7.458 -9.928 1.00 25.00 H new ATOM 123 N ILE A 10 -1.580 -4.882 -12.430 1.00 25.00 N ATOM 124 CA ILE A 10 -2.307 -3.928 -13.265 1.00 25.00 C ATOM 125 C ILE A 10 -3.186 -3.066 -12.369 1.00 25.00 C ATOM 126 O ILE A 10 -4.192 -3.536 -11.848 1.00 25.00 O ATOM 127 CB ILE A 10 -3.221 -4.636 -14.320 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.448 -5.702 -15.133 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.851 -3.584 -15.264 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.392 -5.165 -16.092 1.00 25.00 C ATOM 0 H ILE A 10 -2.108 -5.718 -12.180 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.571 -3.331 -13.803 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.013 -5.155 -13.780 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.964 -6.385 -14.434 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.167 -6.288 -15.705 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.486 -4.085 -15.995 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.451 -2.885 -14.681 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.061 -3.040 -15.782 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.913 -5.997 -16.609 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.864 -4.508 -16.822 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.642 -4.606 -15.532 1.00 25.00 H new ATOM 142 N CYS A 11 -2.825 -1.803 -12.202 1.00 25.00 N ATOM 143 CA CYS A 11 -3.689 -0.877 -11.484 1.00 25.00 C ATOM 144 C CYS A 11 -4.573 -0.216 -12.539 1.00 25.00 C ATOM 145 O CYS A 11 -4.147 -0.009 -13.679 1.00 25.00 O ATOM 146 CB CYS A 11 -2.874 0.142 -10.679 1.00 25.00 C ATOM 147 SG CYS A 11 -1.822 1.256 -11.662 1.00 25.00 S ATOM 0 H CYS A 11 -1.954 -1.400 -12.547 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.301 -1.394 -10.745 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.562 0.747 -10.089 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.242 -0.399 -9.975 1.00 25.00 H new ATOM 152 N SER A 12 -5.828 0.032 -12.197 1.00 25.00 N ATOM 153 CA SER A 12 -6.786 0.571 -13.162 1.00 25.00 C ATOM 154 C SER A 12 -6.686 2.090 -13.230 1.00 25.00 C ATOM 155 O SER A 12 -6.076 2.716 -12.371 1.00 25.00 O ATOM 156 CB SER A 12 -8.201 0.170 -12.755 1.00 25.00 C ATOM 157 OG SER A 12 -8.549 0.763 -11.518 1.00 25.00 O ATOM 0 H SER A 12 -6.210 -0.129 -11.265 1.00 25.00 H new ATOM 0 HA SER A 12 -6.555 0.163 -14.146 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.908 0.479 -13.525 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.269 -0.915 -12.677 1.00 25.00 H new ATOM 0 HG SER A 12 -9.295 0.270 -11.117 1.00 25.00 H new ATOM 163 N LEU A 13 -7.335 2.694 -14.219 1.00 25.00 N ATOM 164 CA LEU A 13 -7.336 4.152 -14.351 1.00 25.00 C ATOM 165 C LEU A 13 -7.979 4.821 -13.131 1.00 25.00 C ATOM 166 O LEU A 13 -7.624 5.928 -12.765 1.00 25.00 O ATOM 167 CB LEU A 13 -8.040 4.580 -15.650 1.00 25.00 C ATOM 168 CG LEU A 13 -9.563 4.366 -15.753 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.332 5.629 -15.355 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.929 3.974 -17.181 1.00 25.00 C ATOM 0 H LEU A 13 -7.865 2.203 -14.939 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.299 4.485 -14.400 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.841 5.641 -15.804 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.571 4.045 -16.476 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.841 3.568 -15.065 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.403 5.444 -15.439 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.089 5.894 -14.326 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.052 6.449 -16.017 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.006 3.823 -17.252 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.628 4.768 -17.865 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.415 3.051 -17.448 1.00 25.00 H new ATOM 182 N TYR A 14 -8.895 4.123 -12.479 1.00 25.00 N ATOM 183 CA TYR A 14 -9.555 4.654 -11.292 1.00 25.00 C ATOM 184 C TYR A 14 -8.553 4.766 -10.151 1.00 25.00 C ATOM 185 O TYR A 14 -8.540 5.737 -9.413 1.00 25.00 O ATOM 186 CB TYR A 14 -10.706 3.735 -10.893 1.00 25.00 C ATOM 187 CG TYR A 14 -11.557 3.326 -12.073 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.434 4.244 -12.688 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.482 2.019 -12.592 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.218 3.859 -13.812 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.258 1.635 -13.719 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.115 2.560 -14.317 1.00 25.00 C ATOM 193 OH TYR A 14 -13.859 2.185 -15.407 1.00 25.00 O ATOM 0 H TYR A 14 -9.200 3.188 -12.750 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.951 5.646 -11.511 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.304 2.843 -10.413 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.331 4.240 -10.156 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.511 5.250 -12.302 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.826 1.298 -12.127 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.890 4.568 -14.273 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.185 0.631 -14.111 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.667 1.250 -15.628 1.00 25.00 H new ATOM 203 N GLN A 15 -7.670 3.785 -10.053 1.00 25.00 N ATOM 204 CA GLN A 15 -6.607 3.811 -9.053 1.00 25.00 C ATOM 205 C GLN A 15 -5.597 4.897 -9.391 1.00 25.00 C ATOM 206 O GLN A 15 -5.072 5.562 -8.511 1.00 25.00 O ATOM 207 CB GLN A 15 -5.897 2.472 -8.995 1.00 25.00 C ATOM 208 CG GLN A 15 -6.794 1.354 -8.544 1.00 25.00 C ATOM 209 CD GLN A 15 -5.998 0.278 -7.891 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.479 -0.611 -8.546 1.00 25.00 O ATOM 211 NE2 GLN A 15 -5.834 0.391 -6.606 1.00 25.00 N ATOM 0 H GLN A 15 -7.666 2.960 -10.652 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.058 4.019 -8.083 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.497 2.235 -9.981 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.047 2.546 -8.316 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.540 1.737 -7.847 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.335 0.947 -9.398 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -6.288 1.151 -6.099 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.252 -0.280 -6.105 1.00 25.00 H new ATOM 220 N LEU A 16 -5.340 5.082 -10.676 1.00 25.00 N ATOM 221 CA LEU A 16 -4.412 6.113 -11.131 1.00 25.00 C ATOM 222 C LEU A 16 -4.901 7.512 -10.743 1.00 25.00 C ATOM 223 O LEU A 16 -4.094 8.367 -10.418 1.00 25.00 O ATOM 224 CB LEU A 16 -4.160 6.002 -12.638 1.00 25.00 C ATOM 225 CG LEU A 16 -3.294 4.797 -13.056 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.270 4.649 -14.568 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.859 4.937 -12.552 1.00 25.00 C ATOM 0 H LEU A 16 -5.760 4.532 -11.426 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.460 5.951 -10.626 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.120 5.938 -13.150 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.676 6.917 -12.981 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.743 3.911 -12.606 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.653 3.793 -14.840 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.285 4.496 -14.935 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.855 5.552 -15.015 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.277 4.070 -12.865 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.414 5.841 -12.967 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.860 5.000 -11.464 1.00 25.00 H new ATOM 239 N GLU A 17 -6.206 7.741 -10.726 1.00 25.00 N ATOM 240 CA GLU A 17 -6.730 9.045 -10.295 1.00 25.00 C ATOM 241 C GLU A 17 -6.366 9.394 -8.845 1.00 25.00 C ATOM 242 O GLU A 17 -6.326 10.559 -8.491 1.00 25.00 O ATOM 243 CB GLU A 17 -8.250 9.115 -10.436 1.00 25.00 C ATOM 244 CG GLU A 17 -8.730 9.177 -11.869 1.00 25.00 C ATOM 245 CD GLU A 17 -10.117 9.732 -11.984 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.367 10.910 -11.969 1.00 25.00 O ATOM 247 OE2 GLU A 17 -11.028 8.833 -12.116 1.00 25.00 O ATOM 0 H GLU A 17 -6.916 7.061 -10.998 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.256 9.771 -10.956 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.690 8.243 -9.953 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.615 9.993 -9.903 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.046 9.793 -12.452 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.705 8.177 -12.301 1.00 25.00 H new ATOM 255 N ASN A 18 -6.059 8.400 -8.020 1.00 25.00 N ATOM 256 CA ASN A 18 -5.683 8.656 -6.621 1.00 25.00 C ATOM 257 C ASN A 18 -4.366 9.434 -6.529 1.00 25.00 C ATOM 258 O ASN A 18 -4.118 10.138 -5.554 1.00 25.00 O ATOM 259 CB ASN A 18 -5.563 7.355 -5.827 1.00 25.00 C ATOM 260 CG ASN A 18 -6.870 6.605 -5.732 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.935 7.182 -5.738 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.784 5.306 -5.642 1.00 25.00 N ATOM 0 H ASN A 18 -6.061 7.415 -8.285 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.480 9.260 -6.187 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.816 6.716 -6.297 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.204 7.579 -4.822 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.631 4.742 -5.574 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.869 4.854 -5.640 1.00 25.00 H new ATOM 269 N TYR A 19 -3.513 9.286 -7.536 1.00 25.00 N ATOM 270 CA TYR A 19 -2.224 9.993 -7.583 1.00 25.00 C ATOM 271 C TYR A 19 -2.457 11.501 -7.776 1.00 25.00 C ATOM 272 O TYR A 19 -1.574 12.316 -7.521 1.00 25.00 O ATOM 273 CB TYR A 19 -1.391 9.478 -8.752 1.00 25.00 C ATOM 274 CG TYR A 19 -0.787 8.102 -8.565 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.526 6.938 -8.845 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.548 7.961 -8.143 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.938 5.657 -8.732 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.137 6.677 -8.017 1.00 25.00 C ATOM 279 CZ TYR A 19 0.388 5.539 -8.325 1.00 25.00 C ATOM 280 OH TYR A 19 0.954 4.299 -8.225 1.00 25.00 O ATOM 0 H TYR A 19 -3.686 8.681 -8.339 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.699 9.816 -6.645 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.018 9.462 -9.643 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.585 10.187 -8.942 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.558 7.024 -9.151 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.131 8.841 -7.912 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.515 4.773 -8.961 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.160 6.580 -7.684 1.00 25.00 H new ATOM 0 HH TYR A 19 0.506 3.684 -8.843 1.00 25.00 H new ATOM 290 N CYS A 20 -3.656 11.859 -8.218 1.00 25.00 N ATOM 291 CA CYS A 20 -4.060 13.249 -8.399 1.00 25.00 C ATOM 292 C CYS A 20 -5.426 13.446 -7.741 1.00 25.00 C ATOM 293 O CYS A 20 -6.358 14.000 -8.327 1.00 25.00 O ATOM 294 CB CYS A 20 -4.105 13.593 -9.887 1.00 25.00 C ATOM 295 SG CYS A 20 -4.964 12.375 -10.937 1.00 25.00 S ATOM 0 H CYS A 20 -4.383 11.187 -8.463 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.338 13.918 -7.930 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -4.593 14.560 -10.006 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -3.083 13.705 -10.249 1.00 25.00 H new ATOM 300 N ASN A 21 -5.492 12.974 -6.477 1.00 25.00 N ATOM 301 CA ASN A 21 -6.668 13.002 -5.585 1.00 25.00 C ATOM 302 C ASN A 21 -7.816 12.104 -6.061 1.00 25.00 C ATOM 303 O ASN A 21 -8.060 11.026 -5.571 1.00 25.00 O ATOM 304 CB ASN A 21 -7.116 14.441 -5.275 1.00 25.00 C ATOM 305 CG ASN A 21 -8.380 14.435 -4.468 1.00 25.00 C ATOM 306 OD1 ASN A 21 -8.503 13.851 -3.425 1.00 25.00 O ATOM 307 ND2 ASN A 21 -9.390 15.132 -4.968 1.00 25.00 N ATOM 308 OXT ASN A 21 -8.543 12.563 -7.027 1.00 25.00 O ATOM 0 H ASN A 21 -4.684 12.541 -6.030 1.00 25.00 H new ATOM 0 HA ASN A 21 -6.346 12.564 -4.640 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.331 14.963 -4.728 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -7.274 14.987 -6.205 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -10.278 15.175 -4.467 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -9.280 15.626 -5.854 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.384 2.925 -22.543 1.00 25.00 N ATOM 318 CA PHE B 1 -7.133 2.706 -21.765 1.00 25.00 C ATOM 319 C PHE B 1 -6.618 1.302 -22.008 1.00 25.00 C ATOM 320 O PHE B 1 -7.420 0.407 -22.207 1.00 25.00 O ATOM 321 CB PHE B 1 -7.417 2.912 -20.271 1.00 25.00 C ATOM 322 CG PHE B 1 -6.175 3.024 -19.426 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.523 4.264 -19.279 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.646 1.892 -18.775 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.347 4.375 -18.497 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.470 1.992 -17.991 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.819 3.235 -17.859 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.199 3.594 -23.317 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.710 2.020 -22.938 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.118 3.314 -21.918 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.375 3.420 -22.087 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.013 3.816 -20.145 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.019 2.079 -19.907 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.924 5.140 -19.768 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.142 0.938 -18.875 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.856 5.331 -18.390 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.074 1.118 -17.496 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.917 3.314 -17.270 1.00 25.00 H new ATOM 339 N VAL B 2 -5.304 1.108 -22.033 1.00 25.00 N ATOM 340 CA VAL B 2 -4.723 -0.215 -22.291 1.00 25.00 C ATOM 341 C VAL B 2 -4.022 -0.687 -21.027 1.00 25.00 C ATOM 342 O VAL B 2 -3.224 0.046 -20.445 1.00 25.00 O ATOM 343 CB VAL B 2 -3.696 -0.165 -23.468 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.096 -1.558 -23.738 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.373 0.360 -24.748 1.00 25.00 C ATOM 0 H VAL B 2 -4.617 1.846 -21.879 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.521 -0.903 -22.571 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.892 0.512 -23.180 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.385 -1.494 -24.562 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.585 -1.913 -22.843 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.894 -2.253 -24.000 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.645 0.389 -25.559 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.195 -0.301 -25.022 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.758 1.364 -24.570 1.00 25.00 H new ATOM 355 N ASN B 3 -4.326 -1.901 -20.594 1.00 25.00 N ATOM 356 CA ASN B 3 -3.701 -2.466 -19.405 1.00 25.00 C ATOM 357 C ASN B 3 -2.257 -2.826 -19.656 1.00 25.00 C ATOM 358 O ASN B 3 -1.928 -3.558 -20.581 1.00 25.00 O ATOM 359 CB ASN B 3 -4.397 -3.751 -18.937 1.00 25.00 C ATOM 360 CG ASN B 3 -4.747 -4.692 -20.079 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.529 -4.358 -20.957 1.00 25.00 O ATOM 362 ND2 ASN B 3 -4.197 -5.874 -20.052 1.00 25.00 N ATOM 0 H ASN B 3 -5.002 -2.515 -21.048 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.785 -1.691 -18.643 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.749 -4.271 -18.232 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.308 -3.488 -18.399 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.415 -6.555 -20.780 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -3.549 -6.118 -19.303 1.00 25.00 H new ATOM 369 N GLN B 4 -1.410 -2.372 -18.755 1.00 25.00 N ATOM 370 CA GLN B 4 -0.016 -2.752 -18.729 1.00 25.00 C ATOM 371 C GLN B 4 0.425 -2.435 -17.321 1.00 25.00 C ATOM 372 O GLN B 4 -0.166 -1.588 -16.657 1.00 25.00 O ATOM 373 CB GLN B 4 0.805 -1.949 -19.753 1.00 25.00 C ATOM 374 CG GLN B 4 0.738 -0.435 -19.565 1.00 25.00 C ATOM 375 CD GLN B 4 1.518 0.315 -20.619 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.663 0.702 -20.407 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.902 0.542 -21.750 1.00 25.00 N ATOM 0 H GLN B 4 -1.674 -1.723 -18.014 1.00 25.00 H new ATOM 0 HA GLN B 4 0.130 -3.800 -18.992 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.847 -2.265 -19.694 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.454 -2.195 -20.755 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.304 -0.115 -19.592 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.125 -0.177 -18.579 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.050 0.204 -21.889 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.374 1.057 -22.493 1.00 25.00 H new ATOM 386 N HIS B 5 1.454 -3.119 -16.868 1.00 25.00 N ATOM 387 CA HIS B 5 2.103 -2.770 -15.609 1.00 25.00 C ATOM 388 C HIS B 5 2.753 -1.402 -15.822 1.00 25.00 C ATOM 389 O HIS B 5 3.247 -1.114 -16.914 1.00 25.00 O ATOM 390 CB HIS B 5 3.150 -3.816 -15.227 1.00 25.00 C ATOM 391 CG HIS B 5 2.583 -5.192 -15.065 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.484 -5.470 -14.271 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.937 -6.390 -15.588 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.215 -6.770 -14.347 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.082 -7.337 -15.128 1.00 25.00 N ATOM 0 H HIS B 5 1.864 -3.921 -17.348 1.00 25.00 H new ATOM 0 HA HIS B 5 1.381 -2.738 -14.793 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.926 -3.839 -15.992 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.629 -3.516 -14.295 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.764 -6.563 -16.261 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.405 -7.273 -13.840 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.115 -8.330 -15.358 1.00 25.00 H new ATOM 404 N LEU B 6 2.705 -0.553 -14.811 1.00 25.00 N ATOM 405 CA LEU B 6 3.176 0.825 -14.925 1.00 25.00 C ATOM 406 C LEU B 6 4.131 1.166 -13.796 1.00 25.00 C ATOM 407 O LEU B 6 3.733 1.269 -12.644 1.00 25.00 O ATOM 408 CB LEU B 6 1.979 1.777 -14.873 1.00 25.00 C ATOM 409 CG LEU B 6 1.020 1.725 -16.070 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.253 2.470 -15.720 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.663 2.327 -17.324 1.00 25.00 C ATOM 0 H LEU B 6 2.341 -0.793 -13.889 1.00 25.00 H new ATOM 0 HA LEU B 6 3.703 0.932 -15.873 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.410 1.563 -13.968 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.355 2.796 -14.779 1.00 25.00 H new ATOM 0 HG LEU B 6 0.788 0.683 -16.289 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.939 2.437 -16.567 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.722 2.002 -14.855 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.015 3.508 -15.487 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.959 2.275 -18.154 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.925 3.368 -17.135 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.563 1.766 -17.576 1.00 25.00 H new ATOM 423 N CYS B 7 5.392 1.366 -14.139 1.00 25.00 N ATOM 424 CA CYS B 7 6.409 1.713 -13.159 1.00 25.00 C ATOM 425 C CYS B 7 7.348 2.736 -13.782 1.00 25.00 C ATOM 426 O CYS B 7 7.440 2.819 -15.009 1.00 25.00 O ATOM 427 CB CYS B 7 7.186 0.457 -12.758 1.00 25.00 C ATOM 428 SG CYS B 7 7.838 0.505 -11.061 1.00 25.00 S ATOM 0 H CYS B 7 5.738 1.294 -15.096 1.00 25.00 H new ATOM 0 HA CYS B 7 5.947 2.134 -12.266 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.534 -0.410 -12.862 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.015 0.318 -13.452 1.00 25.00 H new ATOM 433 N GLY B 8 8.041 3.506 -12.954 1.00 25.00 N ATOM 434 CA GLY B 8 8.981 4.489 -13.469 1.00 25.00 C ATOM 435 C GLY B 8 8.316 5.494 -14.392 1.00 25.00 C ATOM 436 O GLY B 8 7.201 5.943 -14.142 1.00 25.00 O ATOM 0 H GLY B 8 7.971 3.470 -11.937 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.445 5.016 -12.635 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.779 3.978 -14.007 1.00 25.00 H new ATOM 440 N SER B 9 8.983 5.814 -15.491 1.00 25.00 N ATOM 441 CA SER B 9 8.467 6.777 -16.462 1.00 25.00 C ATOM 442 C SER B 9 7.135 6.351 -17.077 1.00 25.00 C ATOM 443 O SER B 9 6.317 7.194 -17.423 1.00 25.00 O ATOM 444 CB SER B 9 9.491 6.967 -17.576 1.00 25.00 C ATOM 445 OG SER B 9 9.850 5.710 -18.131 1.00 25.00 O ATOM 0 H SER B 9 9.891 5.419 -15.737 1.00 25.00 H new ATOM 0 HA SER B 9 8.292 7.709 -15.925 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.079 7.611 -18.353 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.377 7.466 -17.184 1.00 25.00 H new ATOM 0 HG SER B 9 10.506 5.844 -18.846 1.00 25.00 H new ATOM 451 N HIS B 10 6.881 5.050 -17.187 1.00 25.00 N ATOM 452 CA HIS B 10 5.605 4.586 -17.741 1.00 25.00 C ATOM 453 C HIS B 10 4.454 5.037 -16.855 1.00 25.00 C ATOM 454 O HIS B 10 3.410 5.433 -17.352 1.00 25.00 O ATOM 455 CB HIS B 10 5.570 3.061 -17.871 1.00 25.00 C ATOM 456 CG HIS B 10 6.041 2.560 -19.198 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.251 1.783 -20.049 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.216 2.715 -19.865 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.943 1.509 -21.144 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.126 2.059 -21.055 1.00 25.00 N ATOM 0 H HIS B 10 7.524 4.309 -16.908 1.00 25.00 H new ATOM 0 HA HIS B 10 5.502 5.021 -18.735 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.189 2.624 -17.087 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.550 2.714 -17.703 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.297 1.477 -19.858 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.075 3.265 -19.511 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.587 0.924 -21.979 1.00 25.00 H new ATOM 469 N LEU B 11 4.655 4.991 -15.547 1.00 25.00 N ATOM 470 CA LEU B 11 3.617 5.405 -14.608 1.00 25.00 C ATOM 471 C LEU B 11 3.371 6.902 -14.730 1.00 25.00 C ATOM 472 O LEU B 11 2.236 7.345 -14.772 1.00 25.00 O ATOM 473 CB LEU B 11 4.036 5.043 -13.175 1.00 25.00 C ATOM 474 CG LEU B 11 3.045 5.359 -12.042 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.693 4.701 -12.258 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.643 4.871 -10.730 1.00 25.00 C ATOM 0 H LEU B 11 5.521 4.674 -15.111 1.00 25.00 H new ATOM 0 HA LEU B 11 2.690 4.882 -14.844 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.249 3.974 -13.147 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.971 5.560 -12.958 1.00 25.00 H new ATOM 0 HG LEU B 11 2.880 6.436 -12.023 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.029 4.954 -11.432 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.261 5.057 -13.193 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.818 3.619 -12.304 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.954 5.087 -9.914 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.815 3.796 -10.786 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.590 5.381 -10.550 1.00 25.00 H new ATOM 488 N VAL B 12 4.444 7.670 -14.845 1.00 25.00 N ATOM 489 CA VAL B 12 4.341 9.124 -14.982 1.00 25.00 C ATOM 490 C VAL B 12 3.581 9.502 -16.260 1.00 25.00 C ATOM 491 O VAL B 12 2.686 10.339 -16.232 1.00 25.00 O ATOM 492 CB VAL B 12 5.763 9.766 -14.992 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.692 11.277 -15.191 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.493 9.454 -13.671 1.00 25.00 C ATOM 0 H VAL B 12 5.400 7.314 -14.847 1.00 25.00 H new ATOM 0 HA VAL B 12 3.784 9.508 -14.128 1.00 25.00 H new ATOM 0 HB VAL B 12 6.315 9.337 -15.828 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.700 11.692 -15.193 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.208 11.496 -16.143 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.117 11.724 -14.380 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.485 9.906 -13.688 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.923 9.860 -12.836 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.589 8.374 -13.554 1.00 25.00 H new ATOM 504 N GLU B 13 3.906 8.866 -17.376 1.00 25.00 N ATOM 505 CA GLU B 13 3.235 9.185 -18.636 1.00 25.00 C ATOM 506 C GLU B 13 1.774 8.747 -18.623 1.00 25.00 C ATOM 507 O GLU B 13 0.925 9.380 -19.240 1.00 25.00 O ATOM 508 CB GLU B 13 3.967 8.547 -19.821 1.00 25.00 C ATOM 509 CG GLU B 13 5.362 9.136 -20.052 1.00 25.00 C ATOM 510 CD GLU B 13 5.344 10.635 -20.168 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.926 11.365 -19.420 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.618 11.072 -21.137 1.00 25.00 O ATOM 0 H GLU B 13 4.617 8.138 -17.440 1.00 25.00 H new ATOM 0 HA GLU B 13 3.260 10.269 -18.749 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.056 7.474 -19.651 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.370 8.678 -20.723 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.015 8.847 -19.229 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.786 8.710 -20.961 1.00 25.00 H new ATOM 520 N ALA B 14 1.470 7.690 -17.887 1.00 25.00 N ATOM 521 CA ALA B 14 0.090 7.238 -17.769 1.00 25.00 C ATOM 522 C ALA B 14 -0.708 8.257 -16.958 1.00 25.00 C ATOM 523 O ALA B 14 -1.860 8.546 -17.267 1.00 25.00 O ATOM 524 CB ALA B 14 0.041 5.874 -17.105 1.00 25.00 C ATOM 0 H ALA B 14 2.149 7.134 -17.368 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.349 7.150 -18.763 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.995 5.547 -17.022 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.601 5.157 -17.705 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.482 5.938 -16.110 1.00 25.00 H new ATOM 530 N LEU B 15 -0.087 8.801 -15.922 1.00 25.00 N ATOM 531 CA LEU B 15 -0.749 9.777 -15.065 1.00 25.00 C ATOM 532 C LEU B 15 -1.075 11.062 -15.807 1.00 25.00 C ATOM 533 O LEU B 15 -2.125 11.645 -15.570 1.00 25.00 O ATOM 534 CB LEU B 15 0.114 10.090 -13.839 1.00 25.00 C ATOM 535 CG LEU B 15 0.132 9.013 -12.743 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.133 9.364 -11.648 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.245 8.855 -12.163 1.00 25.00 C ATOM 0 H LEU B 15 0.873 8.585 -15.654 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.690 9.331 -14.742 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.138 10.260 -14.172 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.237 11.024 -13.399 1.00 25.00 H new ATOM 0 HG LEU B 15 0.443 8.069 -13.190 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.126 8.585 -10.885 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.131 9.441 -12.079 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.859 10.317 -11.196 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.227 8.090 -11.386 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.569 9.802 -11.732 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.939 8.558 -12.949 1.00 25.00 H new ATOM 549 N TYR B 16 -0.235 11.461 -16.754 1.00 25.00 N ATOM 550 CA TYR B 16 -0.535 12.643 -17.574 1.00 25.00 C ATOM 551 C TYR B 16 -1.877 12.464 -18.272 1.00 25.00 C ATOM 552 O TYR B 16 -2.682 13.384 -18.329 1.00 25.00 O ATOM 553 CB TYR B 16 0.544 12.872 -18.641 1.00 25.00 C ATOM 554 CG TYR B 16 1.712 13.713 -18.175 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.570 15.108 -18.008 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.970 13.132 -17.921 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.667 15.904 -17.580 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.069 13.929 -17.503 1.00 25.00 C ATOM 559 CZ TYR B 16 3.905 15.305 -17.333 1.00 25.00 C ATOM 560 OH TYR B 16 4.964 16.076 -16.932 1.00 25.00 O ATOM 0 H TYR B 16 0.646 10.998 -16.976 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.564 13.506 -16.909 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.919 11.905 -18.976 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.087 13.353 -19.506 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.617 15.575 -18.208 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.100 12.067 -18.046 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.544 16.969 -17.446 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.029 13.471 -17.317 1.00 25.00 H new ATOM 0 HH TYR B 16 5.752 15.508 -16.801 1.00 25.00 H new ATOM 570 N LEU B 17 -2.124 11.274 -18.795 1.00 25.00 N ATOM 571 CA LEU B 17 -3.375 11.003 -19.496 1.00 25.00 C ATOM 572 C LEU B 17 -4.586 10.911 -18.573 1.00 25.00 C ATOM 573 O LEU B 17 -5.656 11.407 -18.896 1.00 25.00 O ATOM 574 CB LEU B 17 -3.271 9.690 -20.262 1.00 25.00 C ATOM 575 CG LEU B 17 -2.187 9.598 -21.348 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.103 8.159 -21.858 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.474 10.547 -22.515 1.00 25.00 C ATOM 0 H LEU B 17 -1.482 10.483 -18.750 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.526 11.849 -20.166 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.097 8.891 -19.542 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.236 9.493 -20.729 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.236 9.895 -20.906 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.335 8.090 -22.628 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.849 7.495 -21.032 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.065 7.865 -22.277 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.686 10.453 -23.262 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.433 10.291 -22.965 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.507 11.573 -22.150 1.00 25.00 H new ATOM 589 N VAL B 18 -4.435 10.213 -17.456 1.00 25.00 N ATOM 590 CA VAL B 18 -5.573 9.943 -16.567 1.00 25.00 C ATOM 591 C VAL B 18 -5.959 11.179 -15.768 1.00 25.00 C ATOM 592 O VAL B 18 -7.142 11.487 -15.596 1.00 25.00 O ATOM 593 CB VAL B 18 -5.250 8.775 -15.596 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.402 8.536 -14.622 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.986 7.499 -16.391 1.00 25.00 C ATOM 0 H VAL B 18 -3.547 9.823 -17.140 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.416 9.661 -17.198 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.362 9.045 -15.024 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.149 7.713 -13.954 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.576 9.438 -14.036 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.304 8.286 -15.180 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.760 6.683 -15.705 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.870 7.246 -16.977 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.140 7.656 -17.060 1.00 25.00 H new ATOM 605 N CYS B 19 -4.968 11.900 -15.279 1.00 25.00 N ATOM 606 CA CYS B 19 -5.238 13.106 -14.517 1.00 25.00 C ATOM 607 C CYS B 19 -5.574 14.244 -15.476 1.00 25.00 C ATOM 608 O CYS B 19 -6.304 15.176 -15.117 1.00 25.00 O ATOM 609 CB CYS B 19 -4.044 13.442 -13.636 1.00 25.00 C ATOM 610 SG CYS B 19 -3.669 12.087 -12.475 1.00 25.00 S ATOM 0 H CYS B 19 -3.979 11.676 -15.393 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.095 12.951 -13.861 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.173 13.639 -14.261 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.248 14.355 -13.077 1.00 25.00 H new ATOM 615 N GLY B 20 -5.107 14.141 -16.712 1.00 25.00 N ATOM 616 CA GLY B 20 -5.421 15.146 -17.708 1.00 25.00 C ATOM 617 C GLY B 20 -4.891 16.516 -17.336 1.00 25.00 C ATOM 618 O GLY B 20 -3.812 16.660 -16.764 1.00 25.00 O ATOM 0 H GLY B 20 -4.516 13.379 -17.044 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.001 14.846 -18.668 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.502 15.201 -17.836 1.00 25.00 H new ATOM 622 N GLU B 21 -5.683 17.534 -17.638 1.00 25.00 N ATOM 623 CA GLU B 21 -5.310 18.929 -17.387 1.00 25.00 C ATOM 624 C GLU B 21 -5.210 19.288 -15.900 1.00 25.00 C ATOM 625 O GLU B 21 -4.727 20.360 -15.559 1.00 25.00 O ATOM 626 CB GLU B 21 -6.336 19.853 -18.054 1.00 25.00 C ATOM 627 CG GLU B 21 -6.349 19.756 -19.581 1.00 25.00 C ATOM 628 CD GLU B 21 -7.371 20.665 -20.206 1.00 25.00 C ATOM 629 OE1 GLU B 21 -8.345 21.054 -19.634 1.00 25.00 O ATOM 630 OE2 GLU B 21 -7.101 20.976 -21.435 1.00 25.00 O ATOM 0 H GLU B 21 -6.603 17.422 -18.064 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.314 19.062 -17.809 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -7.329 19.612 -17.675 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.126 20.883 -17.766 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.361 20.006 -19.966 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.555 18.727 -19.875 1.00 25.00 H new ATOM 638 N ARG B 22 -5.650 18.397 -15.015 1.00 25.00 N ATOM 639 CA ARG B 22 -5.561 18.646 -13.570 1.00 25.00 C ATOM 640 C ARG B 22 -4.118 18.599 -13.096 1.00 25.00 C ATOM 641 O ARG B 22 -3.779 19.181 -12.071 1.00 25.00 O ATOM 642 CB ARG B 22 -6.350 17.587 -12.791 1.00 25.00 C ATOM 643 CG ARG B 22 -7.853 17.639 -13.018 1.00 25.00 C ATOM 644 CD ARG B 22 -8.561 16.489 -12.306 1.00 25.00 C ATOM 645 NE ARG B 22 -8.348 15.201 -12.991 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.876 14.039 -12.622 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.631 13.917 -11.559 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.659 12.975 -13.335 1.00 25.00 N ATOM 0 H ARG B 22 -6.069 17.502 -15.265 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.977 19.637 -13.388 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.985 16.599 -13.071 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.150 17.711 -11.727 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.245 18.590 -12.657 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.064 17.593 -14.086 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.198 16.419 -11.281 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.629 16.699 -12.252 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.747 15.202 -13.815 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.833 14.732 -10.980 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.018 13.007 -11.310 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.084 13.033 -14.176 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.063 12.082 -13.054 1.00 25.00 H new ATOM 662 N GLY B 23 -3.287 17.864 -13.817 1.00 25.00 N ATOM 663 CA GLY B 23 -1.921 17.650 -13.382 1.00 25.00 C ATOM 664 C GLY B 23 -1.898 16.603 -12.284 1.00 25.00 C ATOM 665 O GLY B 23 -2.937 16.061 -11.913 1.00 25.00 O ATOM 0 H GLY B 23 -3.533 17.411 -14.697 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.307 17.325 -14.222 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.494 18.584 -13.018 1.00 25.00 H new ATOM 669 N PHE B 24 -0.712 16.287 -11.791 1.00 25.00 N ATOM 670 CA PHE B 24 -0.531 15.277 -10.752 1.00 25.00 C ATOM 671 C PHE B 24 0.847 15.511 -10.170 1.00 25.00 C ATOM 672 O PHE B 24 1.590 16.352 -10.675 1.00 25.00 O ATOM 673 CB PHE B 24 -0.617 13.864 -11.338 1.00 25.00 C ATOM 674 CG PHE B 24 0.455 13.555 -12.334 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.320 13.960 -13.670 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.602 12.844 -11.947 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.321 13.670 -14.611 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.607 12.535 -12.884 1.00 25.00 C ATOM 679 CZ PHE B 24 2.467 12.957 -14.223 1.00 25.00 C ATOM 0 H PHE B 24 0.157 16.723 -12.099 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.310 15.358 -9.994 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.563 13.140 -10.525 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.589 13.737 -11.814 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.563 14.500 -13.978 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.715 12.531 -10.920 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.209 13.996 -15.635 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.480 11.978 -12.579 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.237 12.733 -14.946 1.00 25.00 H new ATOM 689 N PHE B 25 1.213 14.739 -9.161 1.00 25.00 N ATOM 690 CA PHE B 25 2.547 14.811 -8.588 1.00 25.00 C ATOM 691 C PHE B 25 3.077 13.395 -8.477 1.00 25.00 C ATOM 692 O PHE B 25 2.317 12.429 -8.561 1.00 25.00 O ATOM 693 CB PHE B 25 2.519 15.484 -7.209 1.00 25.00 C ATOM 694 CG PHE B 25 1.937 14.614 -6.122 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.543 14.497 -5.963 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.787 13.903 -5.248 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.004 13.669 -4.951 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.251 13.075 -4.231 1.00 25.00 C ATOM 699 CZ PHE B 25 0.853 12.959 -4.084 1.00 25.00 C ATOM 0 H PHE B 25 0.602 14.052 -8.720 1.00 25.00 H new ATOM 0 HA PHE B 25 3.194 15.413 -9.226 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.535 15.766 -6.932 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.939 16.404 -7.275 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.117 15.044 -6.620 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.858 13.991 -5.356 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.075 13.582 -4.844 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.911 12.534 -3.570 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.440 12.329 -3.310 1.00 25.00 H new ATOM 709 N TYR B 26 4.374 13.268 -8.262 1.00 25.00 N ATOM 710 CA TYR B 26 4.994 11.973 -8.053 1.00 25.00 C ATOM 711 C TYR B 26 5.964 12.167 -6.907 1.00 25.00 C ATOM 712 O TYR B 26 6.539 13.242 -6.771 1.00 25.00 O ATOM 713 CB TYR B 26 5.717 11.501 -9.314 1.00 25.00 C ATOM 714 CG TYR B 26 6.303 10.116 -9.158 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.487 8.973 -9.286 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.669 9.936 -8.855 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.025 7.672 -9.114 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.210 8.634 -8.683 1.00 25.00 C ATOM 719 CZ TYR B 26 7.380 7.515 -8.816 1.00 25.00 C ATOM 720 OH TYR B 26 7.897 6.256 -8.651 1.00 25.00 O ATOM 0 H TYR B 26 5.023 14.054 -8.228 1.00 25.00 H new ATOM 0 HA TYR B 26 4.254 11.206 -7.824 1.00 25.00 H new ATOM 0 HB2 TYR B 26 5.020 11.505 -10.152 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.513 12.204 -9.558 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.439 9.090 -9.518 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.311 10.798 -8.753 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.388 6.805 -9.213 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.257 8.508 -8.451 1.00 25.00 H new ATOM 0 HH TYR B 26 8.854 6.319 -8.449 1.00 25.00 H new ATOM 730 N THR B 27 6.118 11.152 -6.073 1.00 25.00 N ATOM 731 CA THR B 27 6.979 11.239 -4.893 1.00 25.00 C ATOM 732 C THR B 27 8.157 10.247 -5.019 1.00 25.00 C ATOM 733 O THR B 27 8.027 9.042 -4.764 1.00 25.00 O ATOM 734 CB THR B 27 6.166 11.009 -3.599 1.00 25.00 C ATOM 735 OG1 THR B 27 7.036 10.630 -2.532 1.00 25.00 O ATOM 736 CG2 THR B 27 5.118 9.935 -3.798 1.00 25.00 C ATOM 0 H THR B 27 5.657 10.250 -6.188 1.00 25.00 H new ATOM 0 HA THR B 27 7.395 12.245 -4.833 1.00 25.00 H new ATOM 0 HB THR B 27 5.665 11.944 -3.348 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.511 10.488 -1.717 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.561 9.794 -2.872 1.00 25.00 H new ATOM 0 HG22 THR B 27 4.433 10.237 -4.591 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.604 8.999 -4.075 1.00 25.00 H new ATOM 744 N PRO B 28 9.308 10.730 -5.510 1.00 25.00 N ATOM 745 CA PRO B 28 10.495 9.883 -5.637 1.00 25.00 C ATOM 746 C PRO B 28 11.213 9.760 -4.294 1.00 25.00 C ATOM 747 O PRO B 28 10.916 10.492 -3.355 1.00 25.00 O ATOM 748 CB PRO B 28 11.342 10.646 -6.657 1.00 25.00 C ATOM 749 CG PRO B 28 11.030 12.073 -6.386 1.00 25.00 C ATOM 750 CD PRO B 28 9.575 12.105 -5.968 1.00 25.00 C ATOM 0 HA PRO B 28 10.277 8.860 -5.944 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.404 10.438 -6.529 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.084 10.368 -7.679 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.672 12.471 -5.600 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.196 12.685 -7.273 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.403 12.831 -5.174 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.926 12.382 -6.799 1.00 25.00 H new ATOM 758 N LYS B 29 12.179 8.857 -4.202 1.00 25.00 N ATOM 759 CA LYS B 29 12.964 8.699 -2.992 1.00 25.00 C ATOM 760 C LYS B 29 14.364 8.327 -3.417 1.00 25.00 C ATOM 761 O LYS B 29 14.572 7.856 -4.532 1.00 25.00 O ATOM 762 CB LYS B 29 12.385 7.591 -2.103 1.00 25.00 C ATOM 763 CG LYS B 29 12.534 6.173 -2.678 1.00 25.00 C ATOM 764 CD LYS B 29 12.258 5.110 -1.626 1.00 25.00 C ATOM 765 CE LYS B 29 12.780 3.743 -2.085 1.00 25.00 C ATOM 766 NZ LYS B 29 14.292 3.730 -2.186 1.00 25.00 N ATOM 0 H LYS B 29 12.437 8.221 -4.957 1.00 25.00 H new ATOM 0 HA LYS B 29 12.954 9.624 -2.415 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.875 7.629 -1.130 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.327 7.792 -1.935 1.00 25.00 H new ATOM 0 HG2 LYS B 29 11.847 6.045 -3.514 1.00 25.00 H new ATOM 0 HG3 LYS B 29 13.542 6.043 -3.071 1.00 25.00 H new ATOM 0 HD2 LYS B 29 12.734 5.389 -0.686 1.00 25.00 H new ATOM 0 HD3 LYS B 29 11.187 5.050 -1.435 1.00 25.00 H new ATOM 0 HE2 LYS B 29 12.455 2.974 -1.384 1.00 25.00 H new ATOM 0 HE3 LYS B 29 12.348 3.494 -3.054 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 14.573 3.544 -3.170 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 14.668 4.652 -1.887 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 14.675 2.984 -1.570 1.00 25.00 H new ATOM 780 N THR B 30 15.306 8.451 -2.496 1.00 25.00 N ATOM 781 CA THR B 30 16.659 7.940 -2.703 1.00 25.00 C ATOM 782 C THR B 30 16.901 6.742 -1.777 1.00 25.00 C ATOM 783 O THR B 30 16.576 5.613 -2.087 1.00 25.00 O ATOM 784 CB THR B 30 17.722 9.046 -2.515 1.00 25.00 C ATOM 785 OG1 THR B 30 17.540 9.625 -1.226 1.00 25.00 O ATOM 786 CG2 THR B 30 17.520 10.157 -3.558 1.00 25.00 C ATOM 787 OXT THR B 30 17.266 7.034 -0.558 1.00 25.00 O ATOM 0 H THR B 30 15.161 8.902 -1.593 1.00 25.00 H new ATOM 0 HA THR B 30 16.755 7.602 -3.735 1.00 25.00 H new ATOM 0 HB THR B 30 18.716 8.612 -2.625 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.399 8.915 -0.565 1.00 25.00 H new ATOM 0 HG21 THR B 30 18.274 10.931 -3.416 1.00 25.00 H new ATOM 0 HG22 THR B 30 17.615 9.737 -4.560 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.528 10.592 -3.439 1.00 25.00 H new TER 796 THR B 30