USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 27 THR OG1 : rot 42:sc= 0.302 USER MOD Set 1.2: B 30 THR OG1 : rot 152:sc=0.000486 USER MOD Set 2.1: A 12 SER OG : rot 170:sc= 0 USER MOD Set 2.2: B 3 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.308 K(o=0.63,f=0.051) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0.325 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0516 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.181 K(o=0.18,f=-3.9!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 21 ASN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : B 1 PHE N :NH3+ -102:sc= 0.0729 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.199 X(o=0.2,f=-0.033) USER MOD Single : B 5 HIS : no HD1:sc= -0.781 X(o=-0.78,f=-0.29) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= 0.638 K(o=0.64,f=-2.1!) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.790 -3.142 2.224 1.00 0.00 N ATOM 2 CA GLY A 1 5.357 -4.426 1.745 1.00 0.00 C ATOM 3 C GLY A 1 4.688 -4.903 0.462 1.00 0.00 C ATOM 4 O GLY A 1 3.561 -4.515 0.164 1.00 0.00 O ATOM 0 H1 GLY A 1 4.734 -3.153 3.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.401 -2.357 1.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.837 -3.014 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.427 -4.308 1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.240 -5.185 2.519 1.00 0.00 H new ATOM 10 N ILE A 2 5.358 -5.776 -0.300 1.00 0.00 N ATOM 11 CA ILE A 2 4.956 -6.227 -1.656 1.00 0.00 C ATOM 12 C ILE A 2 3.567 -6.885 -1.713 1.00 0.00 C ATOM 13 O ILE A 2 2.824 -6.672 -2.671 1.00 0.00 O ATOM 14 CB ILE A 2 6.076 -7.129 -2.239 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.826 -7.633 -3.673 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.377 -8.363 -1.364 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.549 -6.561 -4.726 1.00 0.00 C ATOM 0 H ILE A 2 6.227 -6.208 0.013 1.00 0.00 H new ATOM 0 HA ILE A 2 4.844 -5.343 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 2 6.930 -6.452 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.696 -8.208 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.980 -8.320 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.169 -8.952 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.697 -8.038 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.478 -8.972 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.389 -7.035 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.659 -5.998 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.401 -5.885 -4.790 1.00 0.00 H new ATOM 29 N VAL A 3 3.163 -7.604 -0.665 1.00 0.00 N ATOM 30 CA VAL A 3 1.825 -8.226 -0.575 1.00 0.00 C ATOM 31 C VAL A 3 0.716 -7.158 -0.584 1.00 0.00 C ATOM 32 O VAL A 3 -0.318 -7.356 -1.215 1.00 0.00 O ATOM 33 CB VAL A 3 1.715 -9.156 0.661 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.318 -9.772 0.845 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.719 -10.321 0.553 1.00 0.00 C ATOM 0 H VAL A 3 3.750 -7.777 0.151 1.00 0.00 H new ATOM 0 HA VAL A 3 1.687 -8.849 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 3 1.929 -8.518 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.315 -10.410 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.417 -8.977 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.064 -10.366 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.627 -10.963 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.508 -10.901 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.733 -9.924 0.499 1.00 0.00 H new ATOM 45 N GLU A 4 0.954 -5.986 0.016 1.00 0.00 N ATOM 46 CA GLU A 4 0.012 -4.858 0.012 1.00 0.00 C ATOM 47 C GLU A 4 0.044 -4.051 -1.305 1.00 0.00 C ATOM 48 O GLU A 4 -0.703 -3.082 -1.451 1.00 0.00 O ATOM 49 CB GLU A 4 0.285 -3.940 1.217 1.00 0.00 C ATOM 50 CG GLU A 4 0.185 -4.629 2.587 1.00 0.00 C ATOM 51 CD GLU A 4 -1.231 -5.152 2.878 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.138 -4.331 3.153 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.440 -6.388 2.860 1.00 0.00 O1- ATOM 0 H GLU A 4 1.816 -5.791 0.524 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.991 -5.278 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.283 -3.513 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.421 -3.110 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.891 -5.459 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.477 -3.925 3.367 1.00 0.00 H new ATOM 60 N GLN A 5 0.882 -4.438 -2.275 1.00 0.00 N ATOM 61 CA GLN A 5 0.850 -3.932 -3.649 1.00 0.00 C ATOM 62 C GLN A 5 0.148 -4.949 -4.565 1.00 0.00 C ATOM 63 O GLN A 5 -0.824 -4.609 -5.238 1.00 0.00 O ATOM 64 CB GLN A 5 2.295 -3.646 -4.103 1.00 0.00 C ATOM 65 CG GLN A 5 2.384 -2.907 -5.447 1.00 0.00 C ATOM 66 CD GLN A 5 1.908 -1.456 -5.359 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.802 -1.106 -5.749 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.710 -0.557 -4.824 1.00 0.00 N ATOM 0 H GLN A 5 1.617 -5.128 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 5 0.281 -3.004 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.796 -3.053 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.836 -4.589 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.416 -2.925 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.785 -3.437 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.635 -0.831 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.405 0.413 -4.740 1.00 0.00 H new ATOM 77 N CYS A 6 0.622 -6.202 -4.585 1.00 0.00 N ATOM 78 CA CYS A 6 0.222 -7.210 -5.576 1.00 0.00 C ATOM 79 C CYS A 6 -0.956 -8.113 -5.176 1.00 0.00 C ATOM 80 O CYS A 6 -1.708 -8.548 -6.049 1.00 0.00 O ATOM 81 CB CYS A 6 1.437 -8.085 -5.866 1.00 0.00 C ATOM 82 SG CYS A 6 2.740 -7.351 -6.890 1.00 0.00 S ATOM 0 H CYS A 6 1.301 -6.548 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.131 -6.655 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.878 -8.382 -4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.092 -8.996 -6.355 1.00 0.00 H new ATOM 87 N CYS A 7 -1.134 -8.431 -3.889 1.00 0.00 N ATOM 88 CA CYS A 7 -2.235 -9.309 -3.443 1.00 0.00 C ATOM 89 C CYS A 7 -3.600 -8.599 -3.415 1.00 0.00 C ATOM 90 O CYS A 7 -4.638 -9.237 -3.619 1.00 0.00 O ATOM 91 CB CYS A 7 -1.889 -9.911 -2.074 1.00 0.00 C ATOM 92 SG CYS A 7 -2.946 -11.276 -1.514 1.00 0.00 S ATOM 0 H CYS A 7 -0.534 -8.097 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.336 -10.109 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.859 -10.265 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.931 -9.116 -1.329 1.00 0.00 H new ATOM 97 N THR A 8 -3.597 -7.280 -3.178 1.00 0.00 N ATOM 98 CA THR A 8 -4.801 -6.436 -3.057 1.00 0.00 C ATOM 99 C THR A 8 -5.304 -5.893 -4.399 1.00 0.00 C ATOM 100 O THR A 8 -6.508 -5.692 -4.555 1.00 0.00 O ATOM 101 CB THR A 8 -4.517 -5.307 -2.055 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.729 -4.689 -1.684 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.551 -4.250 -2.592 1.00 0.00 C ATOM 0 H THR A 8 -2.732 -6.752 -3.061 1.00 0.00 H new ATOM 0 HA THR A 8 -5.614 -7.061 -2.688 1.00 0.00 H new ATOM 0 HB THR A 8 -4.036 -5.767 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.547 -3.970 -1.044 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.394 -3.482 -1.834 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.598 -4.719 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.972 -3.795 -3.488 1.00 0.00 H new ATOM 111 N SER A 9 -4.411 -5.667 -5.362 1.00 0.00 N ATOM 112 CA SER A 9 -4.692 -4.974 -6.631 1.00 0.00 C ATOM 113 C SER A 9 -3.786 -5.472 -7.776 1.00 0.00 C ATOM 114 O SER A 9 -2.805 -6.181 -7.541 1.00 0.00 O ATOM 115 CB SER A 9 -4.505 -3.454 -6.475 1.00 0.00 C ATOM 116 OG SER A 9 -5.463 -2.868 -5.601 1.00 0.00 O ATOM 0 H SER A 9 -3.440 -5.968 -5.284 1.00 0.00 H new ATOM 0 HA SER A 9 -5.728 -5.198 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.503 -3.253 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.576 -2.981 -7.455 1.00 0.00 H new ATOM 0 HG SER A 9 -5.299 -1.904 -5.535 1.00 0.00 H new ATOM 122 N ILE A 10 -4.072 -5.067 -9.024 1.00 0.00 N ATOM 123 CA ILE A 10 -3.160 -5.277 -10.165 1.00 0.00 C ATOM 124 C ILE A 10 -1.787 -4.661 -9.853 1.00 0.00 C ATOM 125 O ILE A 10 -1.708 -3.475 -9.515 1.00 0.00 O ATOM 126 CB ILE A 10 -3.732 -4.647 -11.464 1.00 0.00 C ATOM 127 CG1 ILE A 10 -5.093 -5.231 -11.908 1.00 0.00 C ATOM 128 CG2 ILE A 10 -2.720 -4.744 -12.624 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.034 -6.665 -12.444 1.00 0.00 C ATOM 0 H ILE A 10 -4.937 -4.587 -9.272 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.055 -6.350 -10.323 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.910 -3.601 -11.214 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.778 -5.203 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.514 -4.587 -12.680 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.149 -4.295 -13.520 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.806 -4.215 -12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.489 -5.791 -12.819 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.035 -6.988 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.378 -6.702 -13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.646 -7.327 -11.670 1.00 0.00 H new ATOM 141 N CYS A 11 -0.711 -5.432 -10.029 1.00 0.00 N ATOM 142 CA CYS A 11 0.662 -4.918 -10.018 1.00 0.00 C ATOM 143 C CYS A 11 1.427 -5.270 -11.303 1.00 0.00 C ATOM 144 O CYS A 11 1.145 -6.267 -11.973 1.00 0.00 O ATOM 145 CB CYS A 11 1.397 -5.388 -8.756 1.00 0.00 C ATOM 146 SG CYS A 11 1.879 -7.134 -8.721 1.00 0.00 S ATOM 0 H CYS A 11 -0.768 -6.438 -10.184 1.00 0.00 H new ATOM 0 HA CYS A 11 0.612 -3.829 -9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.295 -4.781 -8.635 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.760 -5.190 -7.894 1.00 0.00 H new ATOM 151 N SER A 12 2.398 -4.431 -11.646 1.00 0.00 N ATOM 152 CA SER A 12 3.195 -4.532 -12.877 1.00 0.00 C ATOM 153 C SER A 12 4.680 -4.777 -12.587 1.00 0.00 C ATOM 154 O SER A 12 5.207 -4.380 -11.545 1.00 0.00 O ATOM 155 CB SER A 12 3.008 -3.260 -13.714 1.00 0.00 C ATOM 156 OG SER A 12 1.633 -3.018 -13.987 1.00 0.00 O ATOM 0 H SER A 12 2.665 -3.637 -11.063 1.00 0.00 H new ATOM 0 HA SER A 12 2.839 -5.395 -13.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.431 -2.407 -13.183 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.556 -3.355 -14.652 1.00 0.00 H new ATOM 0 HG SER A 12 1.529 -2.126 -14.379 1.00 0.00 H new ATOM 162 N LEU A 13 5.386 -5.415 -13.527 1.00 0.00 N ATOM 163 CA LEU A 13 6.771 -5.849 -13.345 1.00 0.00 C ATOM 164 C LEU A 13 7.694 -4.680 -12.995 1.00 0.00 C ATOM 165 O LEU A 13 8.505 -4.765 -12.075 1.00 0.00 O ATOM 166 CB LEU A 13 7.244 -6.630 -14.588 1.00 0.00 C ATOM 167 CG LEU A 13 7.288 -5.902 -15.955 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.190 -6.697 -16.911 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.924 -5.701 -16.633 1.00 0.00 C ATOM 0 H LEU A 13 5.005 -5.646 -14.445 1.00 0.00 H new ATOM 0 HA LEU A 13 6.816 -6.524 -12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.247 -7.004 -14.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.596 -7.499 -14.698 1.00 0.00 H new ATOM 0 HG LEU A 13 7.671 -4.904 -15.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.229 -6.194 -17.877 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.195 -6.761 -16.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.787 -7.701 -17.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.062 -5.183 -17.582 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.461 -6.671 -16.813 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.280 -5.106 -15.985 1.00 0.00 H new ATOM 181 N TYR A 14 7.482 -3.546 -13.660 1.00 0.00 N ATOM 182 CA TYR A 14 8.318 -2.350 -13.570 1.00 0.00 C ATOM 183 C TYR A 14 8.258 -1.636 -12.211 1.00 0.00 C ATOM 184 O TYR A 14 9.074 -0.754 -11.937 1.00 0.00 O ATOM 185 CB TYR A 14 7.918 -1.403 -14.708 1.00 0.00 C ATOM 186 CG TYR A 14 6.488 -0.883 -14.688 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.106 0.130 -13.783 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.545 -1.382 -15.609 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.788 0.624 -13.781 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.232 -0.874 -15.630 1.00 0.00 C ATOM 191 CZ TYR A 14 3.845 0.127 -14.709 1.00 0.00 C ATOM 192 OH TYR A 14 2.575 0.619 -14.715 1.00 0.00 O ATOM 0 H TYR A 14 6.695 -3.430 -14.299 1.00 0.00 H new ATOM 0 HA TYR A 14 9.357 -2.665 -13.667 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.593 -0.547 -14.692 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.080 -1.919 -15.654 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.830 0.529 -13.087 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.831 -2.159 -16.303 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.497 1.383 -13.070 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.520 -1.249 -16.350 1.00 0.00 H new ATOM 0 HH TYR A 14 2.054 0.172 -15.414 1.00 0.00 H new ATOM 202 N GLN A 15 7.286 -2.002 -11.375 1.00 0.00 N ATOM 203 CA GLN A 15 7.093 -1.445 -10.035 1.00 0.00 C ATOM 204 C GLN A 15 7.267 -2.521 -8.958 1.00 0.00 C ATOM 205 O GLN A 15 7.637 -2.193 -7.840 1.00 0.00 O ATOM 206 CB GLN A 15 5.722 -0.745 -9.927 1.00 0.00 C ATOM 207 CG GLN A 15 4.549 -1.652 -10.339 1.00 0.00 C ATOM 208 CD GLN A 15 3.143 -1.106 -10.092 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.194 -1.876 -10.026 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.929 0.188 -9.966 1.00 0.00 N ATOM 0 H GLN A 15 6.594 -2.711 -11.616 1.00 0.00 H new ATOM 0 HA GLN A 15 7.863 -0.692 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.571 -0.410 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.724 0.145 -10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.647 -1.874 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.646 -2.598 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.710 0.842 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.982 0.536 -9.816 1.00 0.00 H new ATOM 219 N LEU A 16 7.064 -3.806 -9.273 1.00 0.00 N ATOM 220 CA LEU A 16 7.316 -4.913 -8.354 1.00 0.00 C ATOM 221 C LEU A 16 8.826 -5.235 -8.250 1.00 0.00 C ATOM 222 O LEU A 16 9.284 -5.661 -7.191 1.00 0.00 O ATOM 223 CB LEU A 16 6.379 -6.079 -8.736 1.00 0.00 C ATOM 224 CG LEU A 16 7.028 -7.248 -9.492 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.802 -8.180 -8.546 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.943 -8.058 -10.216 1.00 0.00 C ATOM 0 H LEU A 16 6.716 -4.105 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 16 7.067 -4.652 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.927 -6.469 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.569 -5.682 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 16 7.733 -6.828 -10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.246 -8.994 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.590 -7.617 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.120 -8.591 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.405 -8.887 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.233 -8.448 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.420 -7.415 -10.924 1.00 0.00 H new ATOM 238 N GLU A 17 9.621 -4.942 -9.294 1.00 0.00 N ATOM 239 CA GLU A 17 11.100 -4.931 -9.244 1.00 0.00 C ATOM 240 C GLU A 17 11.638 -4.060 -8.105 1.00 0.00 C ATOM 241 O GLU A 17 12.720 -4.314 -7.576 1.00 0.00 O ATOM 242 CB GLU A 17 11.717 -4.353 -10.534 1.00 0.00 C ATOM 243 CG GLU A 17 11.842 -5.364 -11.669 1.00 0.00 C ATOM 244 CD GLU A 17 12.780 -4.855 -12.772 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.377 -3.968 -13.561 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.934 -5.338 -12.850 1.00 0.00 O1- ATOM 0 H GLU A 17 9.251 -4.702 -10.214 1.00 0.00 H new ATOM 0 HA GLU A 17 11.377 -5.976 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.107 -3.516 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.706 -3.955 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.218 -6.309 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.857 -5.564 -12.091 1.00 0.00 H new ATOM 253 N ASN A 18 10.887 -3.031 -7.714 1.00 0.00 N ATOM 254 CA ASN A 18 11.303 -2.082 -6.681 1.00 0.00 C ATOM 255 C ASN A 18 11.517 -2.765 -5.316 1.00 0.00 C ATOM 256 O ASN A 18 12.342 -2.328 -4.511 1.00 0.00 O ATOM 257 CB ASN A 18 10.251 -0.979 -6.571 1.00 0.00 C ATOM 258 CG ASN A 18 10.141 -0.107 -7.819 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.929 -0.177 -8.756 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.169 0.780 -7.860 1.00 0.00 N ATOM 0 H ASN A 18 9.967 -2.831 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 18 12.263 -1.656 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.281 -1.434 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.490 -0.346 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.078 1.399 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.507 0.848 -7.087 1.00 0.00 H new ATOM 267 N TYR A 19 10.814 -3.878 -5.083 1.00 0.00 N ATOM 268 CA TYR A 19 10.844 -4.690 -3.868 1.00 0.00 C ATOM 269 C TYR A 19 11.978 -5.743 -3.875 1.00 0.00 C ATOM 270 O TYR A 19 12.134 -6.500 -2.915 1.00 0.00 O ATOM 271 CB TYR A 19 9.445 -5.306 -3.706 1.00 0.00 C ATOM 272 CG TYR A 19 8.323 -4.277 -3.615 1.00 0.00 C ATOM 273 CD1 TYR A 19 7.781 -3.683 -4.778 1.00 0.00 C ATOM 274 CD2 TYR A 19 7.821 -3.906 -2.351 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.741 -2.740 -4.675 1.00 0.00 C ATOM 276 CE2 TYR A 19 6.776 -2.968 -2.244 1.00 0.00 C ATOM 277 CZ TYR A 19 6.230 -2.384 -3.408 1.00 0.00 C ATOM 278 OH TYR A 19 5.218 -1.475 -3.313 1.00 0.00 O ATOM 0 H TYR A 19 10.172 -4.256 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 19 11.078 -4.068 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.250 -5.968 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.432 -5.923 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.167 -3.954 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.241 -4.344 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.333 -2.288 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.392 -2.695 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 19 4.984 -1.344 -2.371 1.00 0.00 H new ATOM 288 N CYS A 20 12.801 -5.774 -4.935 1.00 0.00 N ATOM 289 CA CYS A 20 14.054 -6.543 -5.019 1.00 0.00 C ATOM 290 C CYS A 20 15.161 -5.995 -4.090 1.00 0.00 C ATOM 291 O CYS A 20 16.061 -6.737 -3.688 1.00 0.00 O ATOM 292 CB CYS A 20 14.512 -6.510 -6.486 1.00 0.00 C ATOM 293 SG CYS A 20 15.842 -7.638 -6.977 1.00 0.00 S ATOM 0 H CYS A 20 12.606 -5.247 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 20 13.869 -7.563 -4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.645 -6.720 -7.113 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.832 -5.494 -6.715 1.00 0.00 H new ATOM 298 N ASN A 21 15.088 -4.702 -3.741 1.00 0.00 N ATOM 299 CA ASN A 21 16.016 -4.001 -2.837 1.00 0.00 C ATOM 300 C ASN A 21 15.903 -4.480 -1.374 1.00 0.00 C ATOM 301 O ASN A 21 16.958 -4.744 -0.754 1.00 0.00 O ATOM 302 CB ASN A 21 15.789 -2.476 -2.952 1.00 0.00 C ATOM 303 CG ASN A 21 16.107 -1.906 -4.325 1.00 0.00 C ATOM 304 OD1 ASN A 21 17.258 -1.710 -4.694 1.00 0.00 O ATOM 305 ND2 ASN A 21 15.106 -1.634 -5.132 1.00 0.00 N ATOM 306 OXT ASN A 21 14.771 -4.558 -0.843 1.00 0.00 O1- ATOM 0 H ASN A 21 14.352 -4.090 -4.094 1.00 0.00 H new ATOM 0 HA ASN A 21 17.033 -4.240 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.750 -2.254 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.405 -1.970 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.289 -1.261 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.146 -1.796 -4.827 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.640 -11.523 -19.213 1.00 0.00 N ATOM 315 CA PHE B 1 4.929 -11.181 -17.953 1.00 0.00 C ATOM 316 C PHE B 1 3.484 -10.745 -18.248 1.00 0.00 C ATOM 317 O PHE B 1 3.197 -10.288 -19.355 1.00 0.00 O ATOM 318 CB PHE B 1 5.693 -10.096 -17.162 1.00 0.00 C ATOM 319 CG PHE B 1 5.224 -9.892 -15.730 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.740 -10.700 -14.698 1.00 0.00 C ATOM 321 CD2 PHE B 1 4.281 -8.889 -15.417 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.319 -10.510 -13.369 1.00 0.00 C ATOM 323 CE2 PHE B 1 3.866 -8.696 -14.088 1.00 0.00 C ATOM 324 CZ PHE B 1 4.380 -9.509 -13.066 1.00 0.00 C ATOM 0 H1 PHE B 1 5.683 -12.557 -19.318 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.130 -11.114 -20.022 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.606 -11.138 -19.182 1.00 0.00 H new ATOM 0 HA PHE B 1 4.890 -12.074 -17.330 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.751 -10.356 -17.148 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.605 -9.149 -17.695 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.462 -11.469 -14.928 1.00 0.00 H new ATOM 0 HD2 PHE B 1 3.877 -8.267 -16.202 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.717 -11.133 -12.582 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.151 -7.921 -13.853 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.054 -9.365 -12.046 1.00 0.00 H new ATOM 336 N VAL B 2 2.574 -10.858 -17.272 1.00 0.00 N ATOM 337 CA VAL B 2 1.197 -10.319 -17.330 1.00 0.00 C ATOM 338 C VAL B 2 0.934 -9.523 -16.050 1.00 0.00 C ATOM 339 O VAL B 2 1.065 -10.062 -14.951 1.00 0.00 O ATOM 340 CB VAL B 2 0.131 -11.435 -17.484 1.00 0.00 C ATOM 341 CG1 VAL B 2 -1.302 -10.872 -17.491 1.00 0.00 C ATOM 342 CG2 VAL B 2 0.342 -12.232 -18.784 1.00 0.00 C ATOM 0 H VAL B 2 2.774 -11.338 -16.395 1.00 0.00 H new ATOM 0 HA VAL B 2 1.116 -9.681 -18.210 1.00 0.00 H new ATOM 0 HB VAL B 2 0.254 -12.089 -16.620 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.014 -11.690 -17.601 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -1.492 -10.349 -16.554 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.416 -10.178 -18.323 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -0.420 -13.007 -18.864 1.00 0.00 H new ATOM 0 HG22 VAL B 2 0.267 -11.560 -19.639 1.00 0.00 H new ATOM 0 HG23 VAL B 2 1.329 -12.694 -18.771 1.00 0.00 H new ATOM 352 N ASN B 3 0.549 -8.253 -16.197 1.00 0.00 N ATOM 353 CA ASN B 3 0.178 -7.388 -15.073 1.00 0.00 C ATOM 354 C ASN B 3 -1.148 -7.872 -14.469 1.00 0.00 C ATOM 355 O ASN B 3 -2.171 -7.919 -15.158 1.00 0.00 O ATOM 356 CB ASN B 3 0.082 -5.924 -15.537 1.00 0.00 C ATOM 357 CG ASN B 3 1.376 -5.398 -16.164 1.00 0.00 C ATOM 358 OD1 ASN B 3 2.483 -5.815 -15.839 1.00 0.00 O ATOM 359 ND2 ASN B 3 1.274 -4.476 -17.104 1.00 0.00 N ATOM 0 H ASN B 3 0.485 -7.792 -17.105 1.00 0.00 H new ATOM 0 HA ASN B 3 0.947 -7.441 -14.302 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.727 -5.833 -16.262 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.181 -5.297 -14.685 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.113 -4.114 -17.556 1.00 0.00 H new ATOM 0 HD22 ASN B 3 0.356 -4.126 -17.378 1.00 0.00 H new ATOM 366 N GLN B 4 -1.133 -8.274 -13.197 1.00 0.00 N ATOM 367 CA GLN B 4 -2.224 -9.031 -12.580 1.00 0.00 C ATOM 368 C GLN B 4 -2.187 -8.932 -11.049 1.00 0.00 C ATOM 369 O GLN B 4 -1.288 -8.323 -10.469 1.00 0.00 O ATOM 370 CB GLN B 4 -2.183 -10.498 -13.069 1.00 0.00 C ATOM 371 CG GLN B 4 -0.996 -11.292 -12.501 1.00 0.00 C ATOM 372 CD GLN B 4 -0.797 -12.635 -13.203 1.00 0.00 C ATOM 373 OE1 GLN B 4 -1.580 -13.567 -13.074 1.00 0.00 O ATOM 374 NE2 GLN B 4 0.263 -12.782 -13.971 1.00 0.00 N ATOM 0 H GLN B 4 -0.358 -8.082 -12.562 1.00 0.00 H new ATOM 0 HA GLN B 4 -3.173 -8.594 -12.890 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.112 -10.994 -12.788 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.132 -10.510 -14.158 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -0.087 -10.698 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -1.154 -11.463 -11.436 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.921 -12.011 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN B 4 0.426 -13.667 -14.452 1.00 0.00 H new ATOM 383 N HIS B 5 -3.156 -9.569 -10.394 1.00 0.00 N ATOM 384 CA HIS B 5 -3.138 -9.817 -8.948 1.00 0.00 C ATOM 385 C HIS B 5 -2.241 -11.035 -8.637 1.00 0.00 C ATOM 386 O HIS B 5 -2.450 -12.114 -9.200 1.00 0.00 O ATOM 387 CB HIS B 5 -4.572 -10.054 -8.448 1.00 0.00 C ATOM 388 CG HIS B 5 -5.519 -8.905 -8.679 1.00 0.00 C ATOM 389 ND1 HIS B 5 -5.896 -7.962 -7.720 1.00 0.00 N ATOM 390 CD2 HIS B 5 -6.177 -8.636 -9.844 1.00 0.00 C ATOM 391 CE1 HIS B 5 -6.759 -7.139 -8.340 1.00 0.00 C ATOM 392 NE2 HIS B 5 -6.950 -7.520 -9.615 1.00 0.00 N ATOM 0 H HIS B 5 -3.989 -9.934 -10.857 1.00 0.00 H new ATOM 0 HA HIS B 5 -2.729 -8.948 -8.433 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -4.972 -10.941 -8.940 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -4.539 -10.270 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -6.105 -9.191 -10.767 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -7.235 -6.287 -7.877 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -7.560 -7.063 -10.293 1.00 0.00 H new ATOM 400 N LEU B 6 -1.256 -10.884 -7.745 1.00 0.00 N ATOM 401 CA LEU B 6 -0.302 -11.938 -7.368 1.00 0.00 C ATOM 402 C LEU B 6 -0.249 -12.096 -5.846 1.00 0.00 C ATOM 403 O LEU B 6 -0.118 -11.116 -5.117 1.00 0.00 O ATOM 404 CB LEU B 6 1.099 -11.619 -7.929 1.00 0.00 C ATOM 405 CG LEU B 6 1.222 -11.602 -9.463 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.624 -11.111 -9.834 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.006 -12.995 -10.070 1.00 0.00 C ATOM 0 H LEU B 6 -1.094 -10.006 -7.252 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.640 -12.881 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.408 -10.646 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.802 -12.353 -7.536 1.00 0.00 H new ATOM 0 HG LEU B 6 0.453 -10.940 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.728 -11.093 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.774 -10.107 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.369 -11.784 -9.409 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.101 -12.938 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.753 -13.684 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.010 -13.354 -9.812 1.00 0.00 H new ATOM 419 N CYS B 7 -0.329 -13.335 -5.362 1.00 0.00 N ATOM 420 CA CYS B 7 -0.352 -13.663 -3.931 1.00 0.00 C ATOM 421 C CYS B 7 0.023 -15.132 -3.686 1.00 0.00 C ATOM 422 O CYS B 7 -0.135 -15.968 -4.580 1.00 0.00 O ATOM 423 CB CYS B 7 -1.735 -13.319 -3.360 1.00 0.00 C ATOM 424 SG CYS B 7 -1.723 -12.902 -1.599 1.00 0.00 S ATOM 0 H CYS B 7 -0.381 -14.157 -5.963 1.00 0.00 H new ATOM 0 HA CYS B 7 0.399 -13.067 -3.412 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.148 -12.479 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.402 -14.166 -3.517 1.00 0.00 H new ATOM 429 N GLY B 8 0.552 -15.449 -2.498 1.00 0.00 N ATOM 430 CA GLY B 8 1.069 -16.784 -2.174 1.00 0.00 C ATOM 431 C GLY B 8 2.254 -17.150 -3.067 1.00 0.00 C ATOM 432 O GLY B 8 3.113 -16.315 -3.350 1.00 0.00 O ATOM 0 H GLY B 8 0.634 -14.783 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.375 -16.814 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.277 -17.523 -2.296 1.00 0.00 H new ATOM 436 N SER B 9 2.287 -18.392 -3.540 1.00 0.00 N ATOM 437 CA SER B 9 3.327 -18.903 -4.447 1.00 0.00 C ATOM 438 C SER B 9 3.488 -18.044 -5.711 1.00 0.00 C ATOM 439 O SER B 9 4.612 -17.725 -6.096 1.00 0.00 O ATOM 440 CB SER B 9 3.005 -20.352 -4.847 1.00 0.00 C ATOM 441 OG SER B 9 2.831 -21.177 -3.698 1.00 0.00 O ATOM 0 H SER B 9 1.582 -19.090 -3.303 1.00 0.00 H new ATOM 0 HA SER B 9 4.271 -18.861 -3.904 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.099 -20.372 -5.453 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.811 -20.749 -5.465 1.00 0.00 H new ATOM 0 HG SER B 9 2.626 -22.093 -3.981 1.00 0.00 H new ATOM 447 N HIS B 10 2.388 -17.574 -6.313 1.00 0.00 N ATOM 448 CA HIS B 10 2.398 -16.773 -7.550 1.00 0.00 C ATOM 449 C HIS B 10 3.280 -15.514 -7.446 1.00 0.00 C ATOM 450 O HIS B 10 4.001 -15.154 -8.380 1.00 0.00 O ATOM 451 CB HIS B 10 0.950 -16.385 -7.906 1.00 0.00 C ATOM 452 CG HIS B 10 0.539 -16.825 -9.287 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.174 -16.458 -10.474 1.00 0.00 N ATOM 454 CD2 HIS B 10 -0.517 -17.636 -9.581 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.481 -17.057 -11.456 1.00 0.00 C ATOM 456 NE2 HIS B 10 -0.540 -17.772 -10.950 1.00 0.00 N ATOM 0 H HIS B 10 1.449 -17.741 -5.951 1.00 0.00 H new ATOM 0 HA HIS B 10 2.834 -17.386 -8.338 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.273 -16.826 -7.175 1.00 0.00 H new ATOM 0 HB3 HIS B 10 0.841 -15.303 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.202 -18.084 -8.877 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.712 -16.976 -12.508 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.213 -18.319 -11.487 1.00 0.00 H new ATOM 464 N LEU B 11 3.271 -14.882 -6.269 1.00 0.00 N ATOM 465 CA LEU B 11 4.088 -13.710 -5.948 1.00 0.00 C ATOM 466 C LEU B 11 5.579 -14.059 -5.819 1.00 0.00 C ATOM 467 O LEU B 11 6.429 -13.264 -6.201 1.00 0.00 O ATOM 468 CB LEU B 11 3.531 -13.112 -4.641 1.00 0.00 C ATOM 469 CG LEU B 11 3.999 -11.677 -4.333 1.00 0.00 C ATOM 470 CD1 LEU B 11 3.495 -10.673 -5.377 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.460 -11.249 -2.961 1.00 0.00 C ATOM 0 H LEU B 11 2.679 -15.180 -5.493 1.00 0.00 H new ATOM 0 HA LEU B 11 4.030 -12.983 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.442 -13.121 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.818 -13.758 -3.812 1.00 0.00 H new ATOM 0 HG LEU B 11 5.089 -11.679 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.848 -9.674 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.873 -10.951 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.405 -10.680 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.790 -10.234 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.371 -11.282 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.836 -11.927 -2.195 1.00 0.00 H new ATOM 483 N VAL B 12 5.901 -15.259 -5.340 1.00 0.00 N ATOM 484 CA VAL B 12 7.283 -15.714 -5.094 1.00 0.00 C ATOM 485 C VAL B 12 7.909 -16.177 -6.414 1.00 0.00 C ATOM 486 O VAL B 12 9.079 -15.909 -6.678 1.00 0.00 O ATOM 487 CB VAL B 12 7.319 -16.846 -4.040 1.00 0.00 C ATOM 488 CG1 VAL B 12 8.740 -17.379 -3.804 1.00 0.00 C ATOM 489 CG2 VAL B 12 6.751 -16.357 -2.697 1.00 0.00 C ATOM 0 H VAL B 12 5.200 -15.962 -5.105 1.00 0.00 H new ATOM 0 HA VAL B 12 7.863 -14.881 -4.696 1.00 0.00 H new ATOM 0 HB VAL B 12 6.706 -17.655 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.712 -18.172 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL B 12 9.140 -17.775 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL B 12 9.378 -16.569 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.786 -17.169 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.346 -15.519 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.718 -16.036 -2.834 1.00 0.00 H new ATOM 499 N GLU B 13 7.090 -16.792 -7.273 1.00 0.00 N ATOM 500 CA GLU B 13 7.354 -17.011 -8.683 1.00 0.00 C ATOM 501 C GLU B 13 7.714 -15.695 -9.373 1.00 0.00 C ATOM 502 O GLU B 13 8.783 -15.589 -9.967 1.00 0.00 O ATOM 503 CB GLU B 13 6.083 -17.603 -9.310 1.00 0.00 C ATOM 504 CG GLU B 13 6.321 -19.012 -9.847 1.00 0.00 C ATOM 505 CD GLU B 13 5.050 -19.599 -10.476 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.834 -19.415 -11.698 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.269 -20.269 -9.759 1.00 0.00 O1- ATOM 0 H GLU B 13 6.186 -17.165 -6.983 1.00 0.00 H new ATOM 0 HA GLU B 13 8.196 -17.692 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.287 -17.627 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.742 -16.958 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.118 -18.989 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.659 -19.658 -9.037 1.00 0.00 H new ATOM 514 N ALA B 14 6.860 -14.671 -9.263 1.00 0.00 N ATOM 515 CA ALA B 14 7.101 -13.378 -9.882 1.00 0.00 C ATOM 516 C ALA B 14 8.414 -12.759 -9.402 1.00 0.00 C ATOM 517 O ALA B 14 9.247 -12.426 -10.242 1.00 0.00 O ATOM 518 CB ALA B 14 5.885 -12.502 -9.616 1.00 0.00 C ATOM 0 H ALA B 14 5.985 -14.723 -8.741 1.00 0.00 H new ATOM 0 HA ALA B 14 7.226 -13.485 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.036 -11.522 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.999 -12.969 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA B 14 5.748 -12.387 -8.541 1.00 0.00 H new ATOM 524 N LEU B 15 8.663 -12.680 -8.089 1.00 0.00 N ATOM 525 CA LEU B 15 9.933 -12.160 -7.572 1.00 0.00 C ATOM 526 C LEU B 15 11.134 -12.956 -8.095 1.00 0.00 C ATOM 527 O LEU B 15 12.129 -12.347 -8.464 1.00 0.00 O ATOM 528 CB LEU B 15 9.921 -12.074 -6.031 1.00 0.00 C ATOM 529 CG LEU B 15 9.414 -10.742 -5.432 1.00 0.00 C ATOM 530 CD1 LEU B 15 10.247 -9.523 -5.876 1.00 0.00 C ATOM 531 CD2 LEU B 15 7.928 -10.500 -5.715 1.00 0.00 C ATOM 0 H LEU B 15 8.003 -12.969 -7.367 1.00 0.00 H new ATOM 0 HA LEU B 15 10.045 -11.144 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU B 15 9.300 -12.883 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU B 15 10.934 -12.250 -5.669 1.00 0.00 H new ATOM 0 HG LEU B 15 9.541 -10.851 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.840 -8.619 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU B 15 11.282 -9.654 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.209 -9.432 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.623 -9.552 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU B 15 7.763 -10.468 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.339 -11.308 -5.282 1.00 0.00 H new ATOM 543 N TYR B 16 11.053 -14.276 -8.263 1.00 0.00 N ATOM 544 CA TYR B 16 12.126 -15.009 -8.949 1.00 0.00 C ATOM 545 C TYR B 16 12.300 -14.558 -10.409 1.00 0.00 C ATOM 546 O TYR B 16 13.426 -14.381 -10.875 1.00 0.00 O ATOM 547 CB TYR B 16 11.869 -16.519 -8.881 1.00 0.00 C ATOM 548 CG TYR B 16 12.950 -17.321 -9.582 1.00 0.00 C ATOM 549 CD1 TYR B 16 14.159 -17.607 -8.919 1.00 0.00 C ATOM 550 CD2 TYR B 16 12.780 -17.710 -10.927 1.00 0.00 C ATOM 551 CE1 TYR B 16 15.192 -18.290 -9.590 1.00 0.00 C ATOM 552 CE2 TYR B 16 13.811 -18.387 -11.606 1.00 0.00 C ATOM 553 CZ TYR B 16 15.021 -18.682 -10.938 1.00 0.00 C ATOM 554 OH TYR B 16 16.026 -19.333 -11.587 1.00 0.00 O ATOM 0 H TYR B 16 10.275 -14.853 -7.943 1.00 0.00 H new ATOM 0 HA TYR B 16 13.057 -14.780 -8.429 1.00 0.00 H new ATOM 0 HB2 TYR B 16 11.810 -16.828 -7.837 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.903 -16.741 -9.335 1.00 0.00 H new ATOM 0 HD1 TYR B 16 14.295 -17.301 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR B 16 11.855 -17.488 -11.438 1.00 0.00 H new ATOM 0 HE1 TYR B 16 16.115 -18.514 -9.075 1.00 0.00 H new ATOM 0 HE2 TYR B 16 13.677 -18.681 -12.637 1.00 0.00 H new ATOM 0 HH TYR B 16 15.747 -19.532 -12.505 1.00 0.00 H new ATOM 564 N LEU B 17 11.201 -14.325 -11.126 1.00 0.00 N ATOM 565 CA LEU B 17 11.206 -13.957 -12.542 1.00 0.00 C ATOM 566 C LEU B 17 11.721 -12.526 -12.784 1.00 0.00 C ATOM 567 O LEU B 17 12.495 -12.324 -13.717 1.00 0.00 O ATOM 568 CB LEU B 17 9.786 -14.179 -13.115 1.00 0.00 C ATOM 569 CG LEU B 17 9.343 -15.659 -13.104 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.812 -15.816 -13.131 1.00 0.00 C ATOM 571 CD2 LEU B 17 9.971 -16.437 -14.270 1.00 0.00 C ATOM 0 H LEU B 17 10.263 -14.388 -10.731 1.00 0.00 H new ATOM 0 HA LEU B 17 11.911 -14.599 -13.071 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.073 -13.590 -12.538 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.753 -13.805 -14.138 1.00 0.00 H new ATOM 0 HG LEU B 17 9.702 -16.078 -12.164 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.555 -16.875 -13.122 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.381 -15.330 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.415 -15.354 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.640 -17.475 -14.235 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.662 -15.989 -15.215 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.057 -16.400 -14.189 1.00 0.00 H new ATOM 583 N VAL B 18 11.341 -11.552 -11.948 1.00 0.00 N ATOM 584 CA VAL B 18 11.767 -10.133 -12.091 1.00 0.00 C ATOM 585 C VAL B 18 13.050 -9.803 -11.317 1.00 0.00 C ATOM 586 O VAL B 18 13.884 -9.054 -11.821 1.00 0.00 O ATOM 587 CB VAL B 18 10.687 -9.087 -11.690 1.00 0.00 C ATOM 588 CG1 VAL B 18 10.377 -8.125 -12.839 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.373 -9.672 -11.192 1.00 0.00 C ATOM 0 H VAL B 18 10.729 -11.714 -11.149 1.00 0.00 H new ATOM 0 HA VAL B 18 11.947 -10.051 -13.163 1.00 0.00 H new ATOM 0 HB VAL B 18 11.144 -8.561 -10.852 1.00 0.00 H new ATOM 0 HG11 VAL B 18 9.619 -7.410 -12.520 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.284 -7.590 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL B 18 10.007 -8.689 -13.696 1.00 0.00 H new ATOM 0 HG21 VAL B 18 8.688 -8.863 -10.938 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.931 -10.291 -11.973 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.558 -10.282 -10.308 1.00 0.00 H new ATOM 599 N CYS B 19 13.216 -10.338 -10.100 1.00 0.00 N ATOM 600 CA CYS B 19 14.356 -10.035 -9.219 1.00 0.00 C ATOM 601 C CYS B 19 15.422 -11.142 -9.243 1.00 0.00 C ATOM 602 O CYS B 19 16.609 -10.841 -9.379 1.00 0.00 O ATOM 603 CB CYS B 19 13.843 -9.786 -7.789 1.00 0.00 C ATOM 604 SG CYS B 19 15.096 -9.471 -6.517 1.00 0.00 S ATOM 0 H CYS B 19 12.556 -11.001 -9.693 1.00 0.00 H new ATOM 0 HA CYS B 19 14.844 -9.134 -9.590 1.00 0.00 H new ATOM 0 HB2 CYS B 19 13.163 -8.934 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS B 19 13.257 -10.652 -7.482 1.00 0.00 H new ATOM 609 N GLY B 20 15.023 -12.419 -9.171 1.00 0.00 N ATOM 610 CA GLY B 20 15.949 -13.557 -9.025 1.00 0.00 C ATOM 611 C GLY B 20 16.726 -13.879 -10.304 1.00 0.00 C ATOM 612 O GLY B 20 17.888 -14.274 -10.238 1.00 0.00 O ATOM 0 H GLY B 20 14.042 -12.696 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY B 20 16.656 -13.340 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY B 20 15.384 -14.438 -8.721 1.00 0.00 H new ATOM 616 N GLU B 21 16.111 -13.650 -11.467 1.00 0.00 N ATOM 617 CA GLU B 21 16.741 -13.780 -12.784 1.00 0.00 C ATOM 618 C GLU B 21 17.824 -12.706 -13.026 1.00 0.00 C ATOM 619 O GLU B 21 18.736 -12.923 -13.827 1.00 0.00 O ATOM 620 CB GLU B 21 15.640 -13.728 -13.860 1.00 0.00 C ATOM 621 CG GLU B 21 16.134 -14.182 -15.239 1.00 0.00 C ATOM 622 CD GLU B 21 14.983 -14.257 -16.254 1.00 0.00 C ATOM 623 OE1 GLU B 21 14.294 -15.303 -16.317 1.00 0.00 O1- ATOM 624 OE2 GLU B 21 14.783 -13.286 -17.023 1.00 0.00 O ATOM 0 H GLU B 21 15.134 -13.361 -11.520 1.00 0.00 H new ATOM 0 HA GLU B 21 17.260 -14.737 -12.835 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.807 -14.360 -13.552 1.00 0.00 H new ATOM 0 HB3 GLU B 21 15.258 -12.710 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU B 21 16.894 -13.489 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU B 21 16.608 -15.160 -15.153 1.00 0.00 H new ATOM 631 N ARG B 22 17.756 -11.566 -12.316 1.00 0.00 N ATOM 632 CA ARG B 22 18.749 -10.482 -12.368 1.00 0.00 C ATOM 633 C ARG B 22 19.829 -10.623 -11.281 1.00 0.00 C ATOM 634 O ARG B 22 21.022 -10.535 -11.585 1.00 0.00 O ATOM 635 CB ARG B 22 18.051 -9.112 -12.250 1.00 0.00 C ATOM 636 CG ARG B 22 17.081 -8.834 -13.413 1.00 0.00 C ATOM 637 CD ARG B 22 16.580 -7.381 -13.421 1.00 0.00 C ATOM 638 NE ARG B 22 17.657 -6.442 -13.788 1.00 0.00 N ATOM 639 CZ ARG B 22 17.584 -5.116 -13.806 1.00 0.00 C ATOM 640 NH1 ARG B 22 16.484 -4.462 -13.502 1.00 0.00 N1+ ATOM 641 NH2 ARG B 22 18.647 -4.414 -14.139 1.00 0.00 N ATOM 0 H ARG B 22 16.988 -11.369 -11.674 1.00 0.00 H new ATOM 0 HA ARG B 22 19.251 -10.553 -13.333 1.00 0.00 H new ATOM 0 HB2 ARG B 22 17.504 -9.068 -11.308 1.00 0.00 H new ATOM 0 HB3 ARG B 22 18.806 -8.326 -12.217 1.00 0.00 H new ATOM 0 HG2 ARG B 22 17.580 -9.049 -14.358 1.00 0.00 H new ATOM 0 HG3 ARG B 22 16.228 -9.509 -13.341 1.00 0.00 H new ATOM 0 HD2 ARG B 22 15.754 -7.283 -14.126 1.00 0.00 H new ATOM 0 HD3 ARG B 22 16.191 -7.123 -12.436 1.00 0.00 H new ATOM 0 HE ARG B 22 18.551 -6.854 -14.056 1.00 0.00 H new ATOM 0 HH11 ARG B 22 15.642 -4.974 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG B 22 16.473 -3.442 -13.529 1.00 0.00 H new ATOM 0 HH21 ARG B 22 19.517 -4.889 -14.380 1.00 0.00 H new ATOM 0 HH22 ARG B 22 18.601 -3.395 -14.156 1.00 0.00 H new ATOM 655 N GLY B 23 19.424 -10.830 -10.021 1.00 0.00 N ATOM 656 CA GLY B 23 20.302 -10.951 -8.848 1.00 0.00 C ATOM 657 C GLY B 23 20.513 -12.408 -8.452 1.00 0.00 C ATOM 658 O GLY B 23 19.691 -12.991 -7.747 1.00 0.00 O ATOM 0 H GLY B 23 18.437 -10.921 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY B 23 21.265 -10.489 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.868 -10.405 -8.010 1.00 0.00 H new ATOM 662 N HIS B 24 21.629 -12.991 -8.892 1.00 0.00 N ATOM 663 CA HIS B 24 21.922 -14.426 -8.740 1.00 0.00 C ATOM 664 C HIS B 24 22.465 -14.821 -7.345 1.00 0.00 C ATOM 665 O HIS B 24 22.451 -16.002 -6.987 1.00 0.00 O ATOM 666 CB HIS B 24 22.913 -14.831 -9.847 1.00 0.00 C ATOM 667 CG HIS B 24 22.500 -14.438 -11.246 1.00 0.00 C ATOM 668 ND1 HIS B 24 23.372 -14.012 -12.251 1.00 0.00 N ATOM 669 CD2 HIS B 24 21.220 -14.373 -11.717 1.00 0.00 C ATOM 670 CE1 HIS B 24 22.591 -13.694 -13.298 1.00 0.00 C ATOM 671 NE2 HIS B 24 21.296 -13.898 -13.004 1.00 0.00 N ATOM 0 H HIS B 24 22.368 -12.477 -9.371 1.00 0.00 H new ATOM 0 HA HIS B 24 20.980 -14.967 -8.834 1.00 0.00 H new ATOM 0 HB2 HIS B 24 23.882 -14.381 -9.630 1.00 0.00 H new ATOM 0 HB3 HIS B 24 23.050 -15.912 -9.814 1.00 0.00 H new ATOM 0 HD2 HIS B 24 20.322 -14.643 -11.182 1.00 0.00 H new ATOM 0 HE1 HIS B 24 22.955 -13.325 -14.246 1.00 0.00 H new ATOM 0 HE2 HIS B 24 20.507 -13.730 -13.628 1.00 0.00 H new ATOM 679 N PHE B 25 22.935 -13.841 -6.564 1.00 0.00 N ATOM 680 CA PHE B 25 23.555 -13.998 -5.242 1.00 0.00 C ATOM 681 C PHE B 25 23.584 -12.658 -4.484 1.00 0.00 C ATOM 682 O PHE B 25 23.580 -11.586 -5.096 1.00 0.00 O ATOM 683 CB PHE B 25 24.970 -14.585 -5.410 1.00 0.00 C ATOM 684 CG PHE B 25 25.697 -14.863 -4.106 1.00 0.00 C ATOM 685 CD1 PHE B 25 25.244 -15.891 -3.256 1.00 0.00 C ATOM 686 CD2 PHE B 25 26.812 -14.090 -3.731 1.00 0.00 C ATOM 687 CE1 PHE B 25 25.900 -16.141 -2.037 1.00 0.00 C ATOM 688 CE2 PHE B 25 27.472 -14.346 -2.515 1.00 0.00 C ATOM 689 CZ PHE B 25 27.014 -15.368 -1.667 1.00 0.00 C ATOM 0 H PHE B 25 22.891 -12.864 -6.853 1.00 0.00 H new ATOM 0 HA PHE B 25 22.959 -14.688 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE B 25 24.899 -15.513 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE B 25 25.568 -13.894 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE B 25 24.391 -16.489 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE B 25 27.162 -13.299 -4.378 1.00 0.00 H new ATOM 0 HE1 PHE B 25 25.548 -16.927 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE B 25 28.332 -13.756 -2.233 1.00 0.00 H new ATOM 0 HZ PHE B 25 27.518 -15.560 -0.731 1.00 0.00 H new ATOM 699 N TYR B 26 23.630 -12.715 -3.150 1.00 0.00 N ATOM 700 CA TYR B 26 23.656 -11.561 -2.248 1.00 0.00 C ATOM 701 C TYR B 26 24.545 -11.810 -1.014 1.00 0.00 C ATOM 702 O TYR B 26 24.638 -12.936 -0.514 1.00 0.00 O ATOM 703 CB TYR B 26 22.215 -11.257 -1.822 1.00 0.00 C ATOM 704 CG TYR B 26 22.107 -10.085 -0.875 1.00 0.00 C ATOM 705 CD1 TYR B 26 22.411 -8.795 -1.341 1.00 0.00 C ATOM 706 CD2 TYR B 26 21.778 -10.292 0.477 1.00 0.00 C ATOM 707 CE1 TYR B 26 22.377 -7.702 -0.459 1.00 0.00 C ATOM 708 CE2 TYR B 26 21.716 -9.198 1.361 1.00 0.00 C ATOM 709 CZ TYR B 26 22.020 -7.896 0.895 1.00 0.00 C ATOM 710 OH TYR B 26 21.969 -6.831 1.745 1.00 0.00 O ATOM 0 H TYR B 26 23.651 -13.603 -2.649 1.00 0.00 H new ATOM 0 HA TYR B 26 24.088 -10.709 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR B 26 21.616 -11.054 -2.710 1.00 0.00 H new ATOM 0 HB3 TYR B 26 21.790 -12.141 -1.346 1.00 0.00 H new ATOM 0 HD1 TYR B 26 22.671 -8.643 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR B 26 21.573 -11.290 0.837 1.00 0.00 H new ATOM 0 HE1 TYR B 26 22.624 -6.713 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR B 26 21.437 -9.352 2.393 1.00 0.00 H new ATOM 0 HH TYR B 26 21.706 -7.137 2.638 1.00 0.00 H new ATOM 720 N THR B 27 25.160 -10.735 -0.506 1.00 0.00 N ATOM 721 CA THR B 27 26.003 -10.713 0.703 1.00 0.00 C ATOM 722 C THR B 27 25.366 -9.797 1.762 1.00 0.00 C ATOM 723 O THR B 27 25.310 -8.585 1.534 1.00 0.00 O ATOM 724 CB THR B 27 27.433 -10.251 0.375 1.00 0.00 C ATOM 725 OG1 THR B 27 27.410 -9.049 -0.366 1.00 0.00 O ATOM 726 CG2 THR B 27 28.182 -11.298 -0.451 1.00 0.00 C ATOM 0 H THR B 27 25.083 -9.816 -0.942 1.00 0.00 H new ATOM 0 HA THR B 27 26.068 -11.726 1.100 1.00 0.00 H new ATOM 0 HB THR B 27 27.943 -10.102 1.327 1.00 0.00 H new ATOM 0 HG1 THR B 27 26.733 -8.447 0.008 1.00 0.00 H new ATOM 0 HG21 THR B 27 29.189 -10.940 -0.665 1.00 0.00 H new ATOM 0 HG22 THR B 27 28.240 -12.231 0.110 1.00 0.00 H new ATOM 0 HG23 THR B 27 27.651 -11.471 -1.387 1.00 0.00 H new ATOM 734 N PRO B 28 24.877 -10.333 2.900 1.00 0.00 N ATOM 735 CA PRO B 28 24.261 -9.536 3.955 1.00 0.00 C ATOM 736 C PRO B 28 25.317 -8.848 4.830 1.00 0.00 C ATOM 737 O PRO B 28 26.450 -9.314 4.955 1.00 0.00 O ATOM 738 CB PRO B 28 23.408 -10.522 4.755 1.00 0.00 C ATOM 739 CG PRO B 28 24.207 -11.818 4.649 1.00 0.00 C ATOM 740 CD PRO B 28 24.785 -11.751 3.235 1.00 0.00 C ATOM 0 HA PRO B 28 23.657 -8.724 3.550 1.00 0.00 H new ATOM 0 HB2 PRO B 28 23.286 -10.205 5.791 1.00 0.00 H new ATOM 0 HB3 PRO B 28 22.408 -10.627 4.334 1.00 0.00 H new ATOM 0 HG2 PRO B 28 24.992 -11.871 5.404 1.00 0.00 H new ATOM 0 HG3 PRO B 28 23.574 -12.695 4.785 1.00 0.00 H new ATOM 0 HD2 PRO B 28 25.765 -12.226 3.192 1.00 0.00 H new ATOM 0 HD3 PRO B 28 24.145 -12.278 2.527 1.00 0.00 H new ATOM 748 N LYS B 29 24.920 -7.729 5.449 1.00 0.00 N ATOM 749 CA LYS B 29 25.709 -6.941 6.418 1.00 0.00 C ATOM 750 C LYS B 29 26.956 -6.235 5.821 1.00 0.00 C ATOM 751 O LYS B 29 27.808 -5.716 6.550 1.00 0.00 O ATOM 752 CB LYS B 29 26.005 -7.811 7.664 1.00 0.00 C ATOM 753 CG LYS B 29 26.160 -6.992 8.959 1.00 0.00 C ATOM 754 CD LYS B 29 26.307 -7.875 10.208 1.00 0.00 C ATOM 755 CE LYS B 29 27.598 -8.708 10.178 1.00 0.00 C ATOM 756 NZ LYS B 29 27.764 -9.510 11.419 1.00 0.00 N1+ ATOM 0 H LYS B 29 23.998 -7.326 5.284 1.00 0.00 H new ATOM 0 HA LYS B 29 25.099 -6.093 6.730 1.00 0.00 H new ATOM 0 HB2 LYS B 29 25.199 -8.533 7.794 1.00 0.00 H new ATOM 0 HB3 LYS B 29 26.918 -8.381 7.492 1.00 0.00 H new ATOM 0 HG2 LYS B 29 27.033 -6.345 8.872 1.00 0.00 H new ATOM 0 HG3 LYS B 29 25.293 -6.343 9.079 1.00 0.00 H new ATOM 0 HD2 LYS B 29 26.302 -7.246 11.098 1.00 0.00 H new ATOM 0 HD3 LYS B 29 25.448 -8.541 10.284 1.00 0.00 H new ATOM 0 HE2 LYS B 29 27.582 -9.373 9.314 1.00 0.00 H new ATOM 0 HE3 LYS B 29 28.455 -8.046 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 28.646 -10.059 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 27.804 -8.874 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 26.958 -10.159 11.523 1.00 0.00 H new ATOM 770 N THR B 30 27.051 -6.193 4.489 1.00 0.00 N ATOM 771 CA THR B 30 28.089 -5.488 3.704 1.00 0.00 C ATOM 772 C THR B 30 27.828 -3.979 3.658 1.00 0.00 C ATOM 773 O THR B 30 26.709 -3.568 3.271 1.00 0.00 O ATOM 774 CB THR B 30 28.185 -6.062 2.284 1.00 0.00 C ATOM 775 OG1 THR B 30 28.501 -7.436 2.375 1.00 0.00 O ATOM 776 CG2 THR B 30 29.285 -5.405 1.445 1.00 0.00 C ATOM 777 OXT THR B 30 28.739 -3.204 4.030 1.00 0.00 O1- ATOM 0 H THR B 30 26.376 -6.671 3.892 1.00 0.00 H new ATOM 0 HA THR B 30 29.044 -5.647 4.205 1.00 0.00 H new ATOM 0 HB THR B 30 27.225 -5.877 1.802 1.00 0.00 H new ATOM 0 HG1 THR B 30 28.137 -7.908 1.597 1.00 0.00 H new ATOM 0 HG21 THR B 30 29.302 -5.854 0.452 1.00 0.00 H new ATOM 0 HG22 THR B 30 29.086 -4.337 1.357 1.00 0.00 H new ATOM 0 HG23 THR B 30 30.250 -5.556 1.928 1.00 0.00 H new TER 785 THR B 30