USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 406 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: A 5 GLN : amide:sc= 1.54 K(o=3.5,f=1.3) USER MOD Set 1.2: A 8 THR OG1 : rot -95:sc= 1.03 USER MOD Set 1.3: A 9 SER OG : rot 180:sc= 0.376 USER MOD Set 1.4: A 15 GLN : amide:sc= 0.517 K(o=3.5,f=1.7) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0236 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 19 TYR OH : rot 162:sc= 0.329 USER MOD Single : A 21 ASN : amide:sc= -0.0415 K(o=-0.042,f=-1.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.0559 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.53) USER MOD Single : B 5 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.16) 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 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -29:sc= 0.161 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.280 5.799 -3.857 1.00 0.00 N ATOM 2 CA GLY A 1 -6.200 4.898 -5.032 1.00 0.00 C ATOM 3 C GLY A 1 -4.792 4.344 -5.211 1.00 0.00 C ATOM 4 O GLY A 1 -3.812 5.039 -4.946 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.781 6.671 -4.122 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.795 5.323 -3.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.320 6.036 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.904 4.075 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.496 5.441 -5.930 1.00 0.00 H new ATOM 10 N ILE A 2 -4.671 3.101 -5.685 1.00 0.00 N ATOM 11 CA ILE A 2 -3.378 2.393 -5.833 1.00 0.00 C ATOM 12 C ILE A 2 -2.593 2.904 -7.046 1.00 0.00 C ATOM 13 O ILE A 2 -1.378 3.064 -6.960 1.00 0.00 O ATOM 14 CB ILE A 2 -3.595 0.862 -5.861 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.270 0.121 -6.144 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.651 0.495 -6.904 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.263 -1.398 -5.926 1.00 0.00 C ATOM 0 H ILE A 2 -5.472 2.544 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.762 2.613 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.951 0.549 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.986 0.316 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.496 0.558 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.794 -0.586 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.593 0.983 -6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.320 0.825 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.275 -1.795 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.506 -1.617 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.004 -1.862 -6.577 1.00 0.00 H new ATOM 29 N VAL A 3 -3.291 3.228 -8.140 1.00 0.00 N ATOM 30 CA VAL A 3 -2.792 3.935 -9.323 1.00 0.00 C ATOM 31 C VAL A 3 -1.883 5.096 -8.972 1.00 0.00 C ATOM 32 O VAL A 3 -0.821 5.229 -9.566 1.00 0.00 O ATOM 33 CB VAL A 3 -3.964 4.478 -10.163 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.476 4.995 -11.527 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.053 3.435 -10.445 1.00 0.00 C ATOM 0 H VAL A 3 -4.279 2.989 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.216 3.204 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.388 5.280 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.325 5.372 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.755 5.798 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.002 4.181 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.845 3.888 -11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.621 2.597 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.467 3.077 -9.502 1.00 0.00 H new ATOM 45 N GLU A 4 -2.251 5.910 -7.982 1.00 0.00 N ATOM 46 CA GLU A 4 -1.446 7.080 -7.629 1.00 0.00 C ATOM 47 C GLU A 4 -0.038 6.685 -7.133 1.00 0.00 C ATOM 48 O GLU A 4 0.944 7.373 -7.417 1.00 0.00 O ATOM 49 CB GLU A 4 -2.192 7.940 -6.600 1.00 0.00 C ATOM 50 CG GLU A 4 -1.438 9.242 -6.296 1.00 0.00 C ATOM 51 CD GLU A 4 -2.274 10.178 -5.405 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.219 10.047 -4.157 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.984 11.066 -5.941 1.00 0.00 O ATOM 0 H GLU A 4 -3.090 5.784 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.297 7.674 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.188 8.175 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.325 7.373 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.495 9.011 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.192 9.749 -7.229 1.00 0.00 H new ATOM 60 N GLN A 5 0.073 5.527 -6.470 1.00 0.00 N ATOM 61 CA GLN A 5 1.344 4.915 -6.090 1.00 0.00 C ATOM 62 C GLN A 5 1.993 4.215 -7.284 1.00 0.00 C ATOM 63 O GLN A 5 3.075 4.605 -7.698 1.00 0.00 O ATOM 64 CB GLN A 5 1.143 3.956 -4.904 1.00 0.00 C ATOM 65 CG GLN A 5 2.398 3.831 -4.011 1.00 0.00 C ATOM 66 CD GLN A 5 3.256 2.606 -4.332 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.145 1.573 -3.687 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.137 2.658 -5.306 1.00 0.00 N ATOM 0 H GLN A 5 -0.738 4.981 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 5 2.028 5.701 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.306 4.305 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.873 2.970 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.005 4.729 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.088 3.784 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.242 3.512 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.716 1.844 -5.514 1.00 0.00 H new ATOM 77 N CYS A 6 1.341 3.216 -7.871 1.00 0.00 N ATOM 78 CA CYS A 6 1.953 2.344 -8.875 1.00 0.00 C ATOM 79 C CYS A 6 2.282 3.046 -10.194 1.00 0.00 C ATOM 80 O CYS A 6 3.178 2.597 -10.897 1.00 0.00 O ATOM 81 CB CYS A 6 1.123 1.102 -9.103 1.00 0.00 C ATOM 82 SG CYS A 6 0.748 0.158 -7.607 1.00 0.00 S ATOM 0 H CYS A 6 0.369 2.985 -7.665 1.00 0.00 H new ATOM 0 HA CYS A 6 2.915 2.047 -8.457 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.186 1.390 -9.579 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.649 0.453 -9.803 1.00 0.00 H new ATOM 87 N CYS A 7 1.622 4.154 -10.533 1.00 0.00 N ATOM 88 CA CYS A 7 1.939 4.913 -11.741 1.00 0.00 C ATOM 89 C CYS A 7 3.146 5.856 -11.535 1.00 0.00 C ATOM 90 O CYS A 7 3.905 6.098 -12.477 1.00 0.00 O ATOM 91 CB CYS A 7 0.669 5.665 -12.166 1.00 0.00 C ATOM 92 SG CYS A 7 0.798 6.780 -13.589 1.00 0.00 S ATOM 0 H CYS A 7 0.859 4.547 -9.982 1.00 0.00 H new ATOM 0 HA CYS A 7 2.246 4.236 -12.538 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.102 4.927 -12.385 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.320 6.247 -11.313 1.00 0.00 H new ATOM 97 N THR A 8 3.366 6.362 -10.312 1.00 0.00 N ATOM 98 CA THR A 8 4.500 7.258 -9.985 1.00 0.00 C ATOM 99 C THR A 8 5.721 6.517 -9.446 1.00 0.00 C ATOM 100 O THR A 8 6.857 6.963 -9.630 1.00 0.00 O ATOM 101 CB THR A 8 4.109 8.327 -8.956 1.00 0.00 C ATOM 102 OG1 THR A 8 3.716 7.760 -7.726 1.00 0.00 O ATOM 103 CG2 THR A 8 2.975 9.200 -9.471 1.00 0.00 C ATOM 0 H THR A 8 2.763 6.164 -9.514 1.00 0.00 H new ATOM 0 HA THR A 8 4.761 7.724 -10.935 1.00 0.00 H new ATOM 0 HB THR A 8 5.000 8.935 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.741 7.664 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.721 9.947 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.288 9.699 -10.388 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.102 8.580 -9.675 1.00 0.00 H new ATOM 111 N SER A 9 5.489 5.382 -8.794 1.00 0.00 N ATOM 112 CA SER A 9 6.494 4.550 -8.137 1.00 0.00 C ATOM 113 C SER A 9 6.186 3.062 -8.309 1.00 0.00 C ATOM 114 O SER A 9 5.159 2.666 -8.844 1.00 0.00 O ATOM 115 CB SER A 9 6.650 4.923 -6.653 1.00 0.00 C ATOM 116 OG SER A 9 5.413 5.191 -6.013 1.00 0.00 O ATOM 0 H SER A 9 4.548 4.998 -8.705 1.00 0.00 H new ATOM 0 HA SER A 9 7.449 4.745 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.153 4.109 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.292 5.800 -6.571 1.00 0.00 H new ATOM 0 HG SER A 9 5.574 5.420 -5.074 1.00 0.00 H new ATOM 122 N ILE A 10 7.119 2.211 -7.902 1.00 0.00 N ATOM 123 CA ILE A 10 7.101 0.769 -8.169 1.00 0.00 C ATOM 124 C ILE A 10 6.070 -0.014 -7.339 1.00 0.00 C ATOM 125 O ILE A 10 5.802 0.321 -6.184 1.00 0.00 O ATOM 126 CB ILE A 10 8.528 0.208 -8.036 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.139 0.534 -6.648 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.359 0.779 -9.198 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.605 0.144 -6.484 1.00 0.00 C ATOM 0 H ILE A 10 7.933 2.507 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 10 6.760 0.630 -9.195 1.00 0.00 H new ATOM 0 HB ILE A 10 8.520 -0.880 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.040 1.604 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.555 0.025 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.380 0.401 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.917 0.474 -10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.370 1.867 -9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.943 0.411 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.714 -0.931 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.207 0.673 -7.223 1.00 0.00 H new ATOM 141 N CYS A 11 5.523 -1.069 -7.952 1.00 0.00 N ATOM 142 CA CYS A 11 4.590 -2.044 -7.373 1.00 0.00 C ATOM 143 C CYS A 11 4.856 -3.474 -7.892 1.00 0.00 C ATOM 144 O CYS A 11 5.627 -3.673 -8.836 1.00 0.00 O ATOM 145 CB CYS A 11 3.158 -1.615 -7.692 1.00 0.00 C ATOM 146 SG CYS A 11 2.564 -0.185 -6.765 1.00 0.00 S ATOM 0 H CYS A 11 5.733 -1.279 -8.928 1.00 0.00 H new ATOM 0 HA CYS A 11 4.739 -2.065 -6.293 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.090 -1.392 -8.757 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.492 -2.456 -7.500 1.00 0.00 H new ATOM 151 N SER A 12 4.208 -4.468 -7.273 1.00 0.00 N ATOM 152 CA SER A 12 4.311 -5.907 -7.577 1.00 0.00 C ATOM 153 C SER A 12 3.029 -6.654 -7.166 1.00 0.00 C ATOM 154 O SER A 12 2.091 -6.031 -6.667 1.00 0.00 O ATOM 155 CB SER A 12 5.521 -6.486 -6.825 1.00 0.00 C ATOM 156 OG SER A 12 5.280 -6.454 -5.429 1.00 0.00 O ATOM 0 H SER A 12 3.562 -4.284 -6.505 1.00 0.00 H new ATOM 0 HA SER A 12 4.440 -6.035 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.705 -7.511 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.417 -5.912 -7.062 1.00 0.00 H new ATOM 0 HG SER A 12 6.053 -6.826 -4.955 1.00 0.00 H new ATOM 162 N LEU A 13 2.976 -7.990 -7.275 1.00 0.00 N ATOM 163 CA LEU A 13 1.855 -8.780 -6.731 1.00 0.00 C ATOM 164 C LEU A 13 1.726 -8.728 -5.203 1.00 0.00 C ATOM 165 O LEU A 13 0.703 -9.132 -4.653 1.00 0.00 O ATOM 166 CB LEU A 13 1.836 -10.225 -7.284 1.00 0.00 C ATOM 167 CG LEU A 13 3.143 -11.018 -7.282 1.00 0.00 C ATOM 168 CD1 LEU A 13 3.781 -11.160 -5.900 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.895 -12.426 -7.832 1.00 0.00 C ATOM 0 H LEU A 13 3.695 -8.548 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 13 0.955 -8.286 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.102 -10.791 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.474 -10.183 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 13 3.832 -10.451 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.704 -11.735 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.004 -10.171 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.091 -11.675 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.829 -12.988 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.162 -12.937 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.517 -12.357 -8.852 1.00 0.00 H new ATOM 181 N TYR A 14 2.704 -8.139 -4.514 1.00 0.00 N ATOM 182 CA TYR A 14 2.611 -7.808 -3.097 1.00 0.00 C ATOM 183 C TYR A 14 1.690 -6.591 -2.847 1.00 0.00 C ATOM 184 O TYR A 14 1.301 -6.335 -1.706 1.00 0.00 O ATOM 185 CB TYR A 14 4.036 -7.587 -2.569 1.00 0.00 C ATOM 186 CG TYR A 14 4.311 -8.319 -1.276 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.194 -7.667 -0.035 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.664 -9.680 -1.333 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.450 -8.375 1.156 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.913 -10.392 -0.142 1.00 0.00 C ATOM 191 CZ TYR A 14 4.811 -9.740 1.105 1.00 0.00 C ATOM 192 OH TYR A 14 5.051 -10.422 2.259 1.00 0.00 O ATOM 0 H TYR A 14 3.596 -7.876 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 14 2.148 -8.631 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.751 -7.914 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.199 -6.520 -2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.909 -6.626 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.744 -10.178 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.370 -7.874 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.182 -11.437 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 14 5.286 -11.350 2.048 1.00 0.00 H new ATOM 202 N GLN A 15 1.327 -5.847 -3.909 1.00 0.00 N ATOM 203 CA GLN A 15 0.533 -4.614 -3.859 1.00 0.00 C ATOM 204 C GLN A 15 -0.726 -4.682 -4.738 1.00 0.00 C ATOM 205 O GLN A 15 -1.821 -4.396 -4.254 1.00 0.00 O ATOM 206 CB GLN A 15 1.425 -3.424 -4.253 1.00 0.00 C ATOM 207 CG GLN A 15 2.731 -3.408 -3.438 1.00 0.00 C ATOM 208 CD GLN A 15 3.380 -2.030 -3.372 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.483 -1.817 -3.854 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.731 -1.057 -2.771 1.00 0.00 N ATOM 0 H GLN A 15 1.591 -6.102 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 15 0.176 -4.482 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.658 -3.478 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.883 -2.492 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.524 -3.754 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.435 -4.114 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.810 -1.231 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.148 -0.128 -2.708 1.00 0.00 H new ATOM 219 N LEU A 16 -0.601 -5.141 -5.985 1.00 0.00 N ATOM 220 CA LEU A 16 -1.698 -5.259 -6.964 1.00 0.00 C ATOM 221 C LEU A 16 -2.771 -6.273 -6.540 1.00 0.00 C ATOM 222 O LEU A 16 -3.911 -6.158 -6.985 1.00 0.00 O ATOM 223 CB LEU A 16 -1.106 -5.686 -8.317 1.00 0.00 C ATOM 224 CG LEU A 16 -0.455 -4.639 -9.226 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.512 -3.764 -9.880 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.485 -3.679 -8.514 1.00 0.00 C ATOM 0 H LEU A 16 0.295 -5.453 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.186 -4.287 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.358 -6.454 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.905 -6.160 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 16 0.114 -5.232 -9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.028 -3.027 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.179 -4.385 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.088 -3.252 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.899 -2.974 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.065 -3.133 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.295 -4.241 -8.049 1.00 0.00 H new ATOM 238 N GLU A 17 -2.475 -7.237 -5.662 1.00 0.00 N ATOM 239 CA GLU A 17 -3.469 -8.241 -5.247 1.00 0.00 C ATOM 240 C GLU A 17 -4.519 -7.657 -4.284 1.00 0.00 C ATOM 241 O GLU A 17 -5.542 -8.278 -3.994 1.00 0.00 O ATOM 242 CB GLU A 17 -2.786 -9.518 -4.730 1.00 0.00 C ATOM 243 CG GLU A 17 -3.615 -10.760 -5.102 1.00 0.00 C ATOM 244 CD GLU A 17 -3.083 -12.093 -4.529 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.741 -13.130 -4.788 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.050 -12.126 -3.819 1.00 0.00 O ATOM 0 H GLU A 17 -1.560 -7.346 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.036 -8.540 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.786 -9.600 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.669 -9.462 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.637 -10.614 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.657 -10.839 -6.188 1.00 0.00 H new ATOM 253 N ASN A 18 -4.310 -6.407 -3.860 1.00 0.00 N ATOM 254 CA ASN A 18 -5.303 -5.599 -3.152 1.00 0.00 C ATOM 255 C ASN A 18 -6.442 -5.136 -4.075 1.00 0.00 C ATOM 256 O ASN A 18 -7.505 -4.763 -3.571 1.00 0.00 O ATOM 257 CB ASN A 18 -4.636 -4.367 -2.516 1.00 0.00 C ATOM 258 CG ASN A 18 -3.778 -4.720 -1.313 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.264 -4.956 -0.216 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.477 -4.779 -1.485 1.00 0.00 N ATOM 0 H ASN A 18 -3.426 -5.919 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.732 -6.234 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.019 -3.867 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.406 -3.658 -2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.870 -5.022 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.074 -4.582 -2.401 1.00 0.00 H new ATOM 267 N TYR A 19 -6.248 -5.152 -5.403 1.00 0.00 N ATOM 268 CA TYR A 19 -7.322 -4.769 -6.323 1.00 0.00 C ATOM 269 C TYR A 19 -8.325 -5.902 -6.552 1.00 0.00 C ATOM 270 O TYR A 19 -9.498 -5.642 -6.835 1.00 0.00 O ATOM 271 CB TYR A 19 -6.729 -4.447 -7.682 1.00 0.00 C ATOM 272 CG TYR A 19 -6.183 -3.074 -7.947 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.853 -2.966 -8.365 1.00 0.00 C ATOM 274 CD2 TYR A 19 -7.086 -2.019 -8.152 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.485 -1.921 -9.227 1.00 0.00 C ATOM 276 CE2 TYR A 19 -6.683 -0.907 -8.913 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.417 -0.909 -9.539 1.00 0.00 C ATOM 278 OH TYR A 19 -5.092 0.067 -10.424 1.00 0.00 O ATOM 0 H TYR A 19 -5.374 -5.421 -5.854 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.828 -3.916 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.924 -5.159 -7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.500 -4.641 -8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.116 -3.680 -8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.079 -2.061 -7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.492 -1.892 -9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.339 -0.055 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.909 0.502 -10.746 1.00 0.00 H new ATOM 288 N CYS A 20 -7.854 -7.153 -6.515 1.00 0.00 N ATOM 289 CA CYS A 20 -8.657 -8.296 -6.910 1.00 0.00 C ATOM 290 C CYS A 20 -9.905 -8.483 -6.043 1.00 0.00 C ATOM 291 O CYS A 20 -9.922 -8.127 -4.860 1.00 0.00 O ATOM 292 CB CYS A 20 -7.847 -9.593 -6.872 1.00 0.00 C ATOM 293 SG CYS A 20 -6.186 -9.558 -7.580 1.00 0.00 S ATOM 0 H CYS A 20 -6.910 -7.392 -6.211 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.973 -8.080 -7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.763 -9.907 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.418 -10.362 -7.392 1.00 0.00 H new ATOM 298 N ASN A 21 -10.921 -9.124 -6.615 1.00 0.00 N ATOM 299 CA ASN A 21 -12.095 -9.597 -5.907 1.00 0.00 C ATOM 300 C ASN A 21 -12.271 -11.131 -6.016 1.00 0.00 C ATOM 301 O ASN A 21 -11.603 -11.806 -6.807 1.00 0.00 O ATOM 302 CB ASN A 21 -13.310 -8.768 -6.368 1.00 0.00 C ATOM 303 CG ASN A 21 -13.706 -8.901 -7.831 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.405 -9.859 -8.526 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.425 -7.932 -8.356 1.00 0.00 N ATOM 0 H ASN A 21 -10.945 -9.332 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.979 -9.438 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.167 -9.049 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.103 -7.717 -6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.723 -7.988 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.685 -7.125 -7.789 1.00 0.00 H new ATOM 312 N SER A 22 -13.153 -11.678 -5.175 1.00 0.00 N ATOM 313 CA SER A 22 -13.506 -13.110 -5.079 1.00 0.00 C ATOM 314 C SER A 22 -14.979 -13.353 -4.713 1.00 0.00 C ATOM 315 O SER A 22 -15.657 -12.418 -4.224 1.00 0.00 O ATOM 316 CB SER A 22 -12.571 -13.825 -4.100 1.00 0.00 C ATOM 317 OG SER A 22 -12.625 -13.227 -2.814 1.00 0.00 O ATOM 318 OXT SER A 22 -15.468 -14.478 -4.965 1.00 0.00 O ATOM 0 H SER A 22 -13.671 -11.110 -4.505 1.00 0.00 H new ATOM 0 HA SER A 22 -13.373 -13.531 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.850 -14.876 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.549 -13.791 -4.478 1.00 0.00 H new ATOM 0 HG SER A 22 -12.021 -13.702 -2.206 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.462 -12.129 -9.163 1.00 0.00 N ATOM 326 CA PHE B 1 8.480 -11.194 -9.766 1.00 0.00 C ATOM 327 C PHE B 1 9.091 -9.804 -9.944 1.00 0.00 C ATOM 328 O PHE B 1 9.994 -9.423 -9.198 1.00 0.00 O ATOM 329 CB PHE B 1 7.167 -11.155 -8.955 1.00 0.00 C ATOM 330 CG PHE B 1 5.972 -10.571 -9.691 1.00 0.00 C ATOM 331 CD1 PHE B 1 5.712 -9.188 -9.647 1.00 0.00 C ATOM 332 CD2 PHE B 1 5.093 -11.424 -10.394 1.00 0.00 C ATOM 333 CE1 PHE B 1 4.581 -8.660 -10.298 1.00 0.00 C ATOM 334 CE2 PHE B 1 3.951 -10.895 -11.026 1.00 0.00 C ATOM 335 CZ PHE B 1 3.693 -9.516 -10.968 1.00 0.00 C ATOM 0 H1 PHE B 1 9.015 -12.642 -8.376 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.781 -12.809 -9.883 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.279 -11.593 -8.807 1.00 0.00 H new ATOM 0 HA PHE B 1 8.223 -11.565 -10.758 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.921 -12.170 -8.642 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.335 -10.574 -8.048 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.382 -8.531 -9.113 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.297 -12.483 -10.447 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.397 -7.596 -10.282 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.274 -11.550 -11.555 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.809 -9.113 -11.440 1.00 0.00 H new ATOM 347 N VAL B 2 8.627 -9.049 -10.943 1.00 0.00 N ATOM 348 CA VAL B 2 9.213 -7.757 -11.344 1.00 0.00 C ATOM 349 C VAL B 2 8.566 -6.589 -10.586 1.00 0.00 C ATOM 350 O VAL B 2 7.345 -6.416 -10.628 1.00 0.00 O ATOM 351 CB VAL B 2 9.094 -7.557 -12.870 1.00 0.00 C ATOM 352 CG1 VAL B 2 9.768 -6.259 -13.326 1.00 0.00 C ATOM 353 CG2 VAL B 2 9.763 -8.704 -13.643 1.00 0.00 C ATOM 0 H VAL B 2 7.821 -9.318 -11.508 1.00 0.00 H new ATOM 0 HA VAL B 2 10.271 -7.773 -11.081 1.00 0.00 H new ATOM 0 HB VAL B 2 8.025 -7.525 -13.081 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.663 -6.154 -14.406 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.295 -5.410 -12.831 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.826 -6.288 -13.066 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.660 -8.530 -14.714 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.821 -8.750 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.284 -9.647 -13.381 1.00 0.00 H new ATOM 363 N LYS B 3 9.387 -5.753 -9.934 1.00 0.00 N ATOM 364 CA LYS B 3 8.971 -4.465 -9.346 1.00 0.00 C ATOM 365 C LYS B 3 9.053 -3.363 -10.407 1.00 0.00 C ATOM 366 O LYS B 3 10.120 -3.143 -10.982 1.00 0.00 O ATOM 367 CB LYS B 3 9.847 -4.125 -8.131 1.00 0.00 C ATOM 368 CG LYS B 3 9.740 -5.184 -7.019 1.00 0.00 C ATOM 369 CD LYS B 3 10.552 -4.810 -5.774 1.00 0.00 C ATOM 370 CE LYS B 3 12.063 -4.765 -6.040 1.00 0.00 C ATOM 371 NZ LYS B 3 12.824 -4.480 -4.797 1.00 0.00 N ATOM 0 H LYS B 3 10.377 -5.954 -9.796 1.00 0.00 H new ATOM 0 HA LYS B 3 7.939 -4.542 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.886 -4.038 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.553 -3.153 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.693 -5.311 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS B 3 10.087 -6.144 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.223 -3.837 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS B 3 10.348 -5.532 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.389 -5.718 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS B 3 12.280 -3.999 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.842 -4.456 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.529 -3.560 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 12.635 -5.224 -4.096 1.00 0.00 H new ATOM 385 N GLN B 4 7.936 -2.696 -10.688 1.00 0.00 N ATOM 386 CA GLN B 4 7.803 -1.764 -11.821 1.00 0.00 C ATOM 387 C GLN B 4 6.728 -0.690 -11.598 1.00 0.00 C ATOM 388 O GLN B 4 5.752 -0.922 -10.884 1.00 0.00 O ATOM 389 CB GLN B 4 7.522 -2.546 -13.118 1.00 0.00 C ATOM 390 CG GLN B 4 6.405 -3.602 -12.999 1.00 0.00 C ATOM 391 CD GLN B 4 6.151 -4.376 -14.294 1.00 0.00 C ATOM 392 OE1 GLN B 4 6.831 -4.242 -15.303 1.00 0.00 O ATOM 393 NE2 GLN B 4 5.150 -5.231 -14.313 1.00 0.00 N ATOM 0 H GLN B 4 7.085 -2.784 -10.133 1.00 0.00 H new ATOM 0 HA GLN B 4 8.752 -1.235 -11.908 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.254 -1.839 -13.903 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.440 -3.041 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.666 -4.307 -12.210 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.482 -3.109 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.571 -5.357 -13.483 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.953 -5.767 -15.158 1.00 0.00 H new ATOM 402 N HIS B 5 6.905 0.476 -12.230 1.00 0.00 N ATOM 403 CA HIS B 5 5.900 1.543 -12.300 1.00 0.00 C ATOM 404 C HIS B 5 5.018 1.406 -13.554 1.00 0.00 C ATOM 405 O HIS B 5 5.496 1.053 -14.635 1.00 0.00 O ATOM 406 CB HIS B 5 6.564 2.924 -12.180 1.00 0.00 C ATOM 407 CG HIS B 5 7.749 3.162 -13.089 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.032 3.454 -12.680 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.762 3.123 -14.457 1.00 0.00 C ATOM 410 CE1 HIS B 5 9.807 3.583 -13.772 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.072 3.388 -14.885 1.00 0.00 N ATOM 0 H HIS B 5 7.770 0.709 -12.718 1.00 0.00 H new ATOM 0 HA HIS B 5 5.228 1.441 -11.448 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.813 3.687 -12.385 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.887 3.063 -11.148 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.914 2.923 -15.095 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.863 3.810 -13.759 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.403 3.426 -15.849 1.00 0.00 H new ATOM 419 N LEU B 6 3.715 1.636 -13.402 1.00 0.00 N ATOM 420 CA LEU B 6 2.657 1.345 -14.370 1.00 0.00 C ATOM 421 C LEU B 6 1.410 2.200 -14.123 1.00 0.00 C ATOM 422 O LEU B 6 0.965 2.350 -12.988 1.00 0.00 O ATOM 423 CB LEU B 6 2.193 -0.100 -14.190 1.00 0.00 C ATOM 424 CG LEU B 6 3.248 -1.180 -14.133 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.640 -2.434 -13.507 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.825 -1.585 -15.486 1.00 0.00 C ATOM 0 H LEU B 6 3.347 2.056 -12.548 1.00 0.00 H new ATOM 0 HA LEU B 6 3.072 1.543 -15.358 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.611 -0.152 -13.270 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.515 -0.338 -15.010 1.00 0.00 H new ATOM 0 HG LEU B 6 4.065 -0.758 -13.548 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.394 -3.220 -13.461 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.292 -2.206 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.799 -2.772 -14.113 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.573 -2.365 -15.344 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.026 -1.961 -16.124 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.289 -0.719 -15.958 1.00 0.00 H new ATOM 438 N CYS B 7 0.760 2.641 -15.190 1.00 0.00 N ATOM 439 CA CYS B 7 -0.376 3.555 -15.180 1.00 0.00 C ATOM 440 C CYS B 7 -1.527 2.932 -15.980 1.00 0.00 C ATOM 441 O CYS B 7 -1.314 2.526 -17.125 1.00 0.00 O ATOM 442 CB CYS B 7 0.078 4.869 -15.828 1.00 0.00 C ATOM 443 SG CYS B 7 1.544 5.651 -15.103 1.00 0.00 S ATOM 0 H CYS B 7 1.023 2.358 -16.134 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.723 3.743 -14.164 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.276 4.681 -16.883 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.748 5.578 -15.780 1.00 0.00 H new ATOM 448 N GLY B 8 -2.731 2.844 -15.404 1.00 0.00 N ATOM 449 CA GLY B 8 -3.948 2.466 -16.140 1.00 0.00 C ATOM 450 C GLY B 8 -3.814 1.091 -16.799 1.00 0.00 C ATOM 451 O GLY B 8 -3.691 0.087 -16.106 1.00 0.00 O ATOM 0 H GLY B 8 -2.892 3.032 -14.415 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.798 2.460 -15.457 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.158 3.215 -16.903 1.00 0.00 H new ATOM 455 N SER B 9 -3.768 1.038 -18.133 1.00 0.00 N ATOM 456 CA SER B 9 -3.587 -0.194 -18.916 1.00 0.00 C ATOM 457 C SER B 9 -2.332 -1.004 -18.553 1.00 0.00 C ATOM 458 O SER B 9 -2.414 -2.228 -18.453 1.00 0.00 O ATOM 459 CB SER B 9 -3.492 0.167 -20.403 1.00 0.00 C ATOM 460 OG SER B 9 -4.638 0.897 -20.815 1.00 0.00 O ATOM 0 H SER B 9 -3.858 1.870 -18.716 1.00 0.00 H new ATOM 0 HA SER B 9 -4.450 -0.818 -18.686 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.594 0.758 -20.582 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.400 -0.742 -20.998 1.00 0.00 H new ATOM 0 HG SER B 9 -4.559 1.120 -21.766 1.00 0.00 H new ATOM 466 N HIS B 10 -1.187 -0.360 -18.286 1.00 0.00 N ATOM 467 CA HIS B 10 0.012 -1.060 -17.800 1.00 0.00 C ATOM 468 C HIS B 10 -0.204 -1.604 -16.392 1.00 0.00 C ATOM 469 O HIS B 10 0.259 -2.690 -16.061 1.00 0.00 O ATOM 470 CB HIS B 10 1.215 -0.110 -17.735 1.00 0.00 C ATOM 471 CG HIS B 10 1.629 0.454 -19.061 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.398 -0.141 -20.032 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.290 1.696 -19.510 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.517 0.725 -21.054 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.858 1.870 -20.779 1.00 0.00 N ATOM 0 H HIS B 10 -1.065 0.646 -18.398 1.00 0.00 H new ATOM 0 HA HIS B 10 0.202 -1.874 -18.500 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.977 0.713 -17.062 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.061 -0.643 -17.300 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.688 2.420 -18.980 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.063 0.531 -21.966 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.788 2.695 -21.374 1.00 0.00 H new ATOM 483 N LEU B 11 -0.900 -0.835 -15.549 1.00 0.00 N ATOM 484 CA LEU B 11 -1.101 -1.187 -14.151 1.00 0.00 C ATOM 485 C LEU B 11 -2.064 -2.372 -14.067 1.00 0.00 C ATOM 486 O LEU B 11 -1.810 -3.312 -13.319 1.00 0.00 O ATOM 487 CB LEU B 11 -1.554 0.064 -13.381 1.00 0.00 C ATOM 488 CG LEU B 11 -1.480 -0.032 -11.847 1.00 0.00 C ATOM 489 CD1 LEU B 11 -0.197 -0.607 -11.277 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.835 1.293 -11.233 1.00 0.00 C ATOM 0 H LEU B 11 -1.337 0.046 -15.821 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.177 -1.517 -13.676 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.943 0.907 -13.704 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.583 0.289 -13.663 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.222 -0.779 -11.566 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.259 -0.626 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.056 -1.621 -11.650 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.646 0.013 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.780 1.217 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.135 2.054 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.847 1.571 -11.527 1.00 0.00 H new ATOM 502 N VAL B 12 -3.074 -2.395 -14.941 1.00 0.00 N ATOM 503 CA VAL B 12 -3.932 -3.555 -15.184 1.00 0.00 C ATOM 504 C VAL B 12 -3.114 -4.715 -15.748 1.00 0.00 C ATOM 505 O VAL B 12 -3.381 -5.845 -15.383 1.00 0.00 O ATOM 506 CB VAL B 12 -5.109 -3.228 -16.129 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.892 -4.460 -16.590 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.094 -2.300 -15.406 1.00 0.00 C ATOM 0 H VAL B 12 -3.323 -1.587 -15.512 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.357 -3.844 -14.223 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.668 -2.764 -17.011 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.702 -4.150 -17.250 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.225 -5.135 -17.126 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.307 -4.973 -15.722 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.927 -2.066 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.471 -2.795 -14.511 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.585 -1.378 -15.124 1.00 0.00 H new ATOM 518 N GLU B 13 -2.071 -4.505 -16.555 1.00 0.00 N ATOM 519 CA GLU B 13 -1.242 -5.607 -17.082 1.00 0.00 C ATOM 520 C GLU B 13 -0.503 -6.361 -15.956 1.00 0.00 C ATOM 521 O GLU B 13 -0.209 -7.550 -16.099 1.00 0.00 O ATOM 522 CB GLU B 13 -0.280 -5.085 -18.167 1.00 0.00 C ATOM 523 CG GLU B 13 0.294 -6.201 -19.049 1.00 0.00 C ATOM 524 CD GLU B 13 1.115 -5.613 -20.217 1.00 0.00 C ATOM 525 OE1 GLU B 13 0.568 -5.454 -21.336 1.00 0.00 O ATOM 526 OE2 GLU B 13 2.317 -5.313 -20.023 1.00 0.00 O ATOM 0 H GLU B 13 -1.774 -3.579 -16.863 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.904 -6.336 -17.549 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.806 -4.367 -18.796 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.540 -4.549 -17.690 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.926 -6.856 -18.449 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.518 -6.813 -19.442 1.00 0.00 H new ATOM 533 N ALA B 14 -0.278 -5.706 -14.810 1.00 0.00 N ATOM 534 CA ALA B 14 0.160 -6.355 -13.584 1.00 0.00 C ATOM 535 C ALA B 14 -1.060 -6.900 -12.836 1.00 0.00 C ATOM 536 O ALA B 14 -1.129 -8.094 -12.598 1.00 0.00 O ATOM 537 CB ALA B 14 0.984 -5.371 -12.757 1.00 0.00 C ATOM 0 H ALA B 14 -0.399 -4.698 -14.715 1.00 0.00 H new ATOM 0 HA ALA B 14 0.806 -7.206 -13.801 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.313 -5.855 -11.838 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.854 -5.052 -13.331 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.374 -4.502 -12.511 1.00 0.00 H new ATOM 543 N LEU B 15 -2.065 -6.078 -12.538 1.00 0.00 N ATOM 544 CA LEU B 15 -3.303 -6.442 -11.853 1.00 0.00 C ATOM 545 C LEU B 15 -3.912 -7.765 -12.352 1.00 0.00 C ATOM 546 O LEU B 15 -4.164 -8.694 -11.596 1.00 0.00 O ATOM 547 CB LEU B 15 -4.277 -5.282 -12.112 1.00 0.00 C ATOM 548 CG LEU B 15 -5.236 -4.996 -10.979 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.182 -3.878 -11.425 1.00 0.00 C ATOM 550 CD2 LEU B 15 -5.990 -6.242 -10.582 1.00 0.00 C ATOM 0 H LEU B 15 -2.035 -5.088 -12.781 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.102 -6.601 -10.794 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.700 -4.380 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.853 -5.503 -13.010 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.687 -4.673 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.885 -3.654 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.604 -2.985 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.732 -4.198 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.673 -6.009 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.558 -6.611 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.284 -7.007 -10.258 1.00 0.00 H new ATOM 562 N TYR B 16 -4.070 -7.865 -13.662 1.00 0.00 N ATOM 563 CA TYR B 16 -4.635 -8.987 -14.418 1.00 0.00 C ATOM 564 C TYR B 16 -3.827 -10.277 -14.223 1.00 0.00 C ATOM 565 O TYR B 16 -4.399 -11.367 -14.166 1.00 0.00 O ATOM 566 CB TYR B 16 -4.678 -8.507 -15.887 1.00 0.00 C ATOM 567 CG TYR B 16 -5.538 -9.263 -16.877 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.350 -10.638 -17.113 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.490 -8.543 -17.633 1.00 0.00 C ATOM 570 CE1 TYR B 16 -6.162 -11.313 -18.040 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.299 -9.215 -18.570 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.146 -10.607 -18.767 1.00 0.00 C ATOM 573 OH TYR B 16 -7.931 -11.270 -19.659 1.00 0.00 O ATOM 0 H TYR B 16 -3.785 -7.105 -14.280 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.633 -9.253 -14.071 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.012 -7.469 -15.885 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.656 -8.513 -16.266 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.580 -11.176 -16.580 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.597 -7.478 -17.492 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.034 -12.374 -18.197 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.036 -8.667 -19.138 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.557 -10.641 -20.074 1.00 0.00 H new ATOM 583 N LEU B 17 -2.512 -10.150 -14.031 1.00 0.00 N ATOM 584 CA LEU B 17 -1.567 -11.240 -13.803 1.00 0.00 C ATOM 585 C LEU B 17 -1.526 -11.646 -12.326 1.00 0.00 C ATOM 586 O LEU B 17 -1.482 -12.824 -11.976 1.00 0.00 O ATOM 587 CB LEU B 17 -0.187 -10.713 -14.231 1.00 0.00 C ATOM 588 CG LEU B 17 0.976 -11.692 -14.011 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.789 -13.015 -14.754 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.288 -11.056 -14.472 1.00 0.00 C ATOM 0 H LEU B 17 -2.057 -9.237 -14.031 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.864 -12.122 -14.370 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.226 -10.450 -15.288 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.021 -9.795 -13.682 1.00 0.00 H new ATOM 0 HG LEU B 17 1.001 -11.908 -12.943 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.642 -13.665 -14.560 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.123 -13.501 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.715 -12.824 -15.825 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.108 -11.757 -14.313 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.221 -10.811 -15.532 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.472 -10.146 -13.900 1.00 0.00 H new ATOM 602 N VAL B 18 -1.545 -10.629 -11.468 1.00 0.00 N ATOM 603 CA VAL B 18 -1.511 -10.692 -10.008 1.00 0.00 C ATOM 604 C VAL B 18 -2.770 -11.383 -9.482 1.00 0.00 C ATOM 605 O VAL B 18 -2.707 -12.238 -8.599 1.00 0.00 O ATOM 606 CB VAL B 18 -1.410 -9.250 -9.468 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.527 -9.284 -7.952 1.00 0.00 C ATOM 608 CG2 VAL B 18 -0.105 -8.559 -9.912 1.00 0.00 C ATOM 0 H VAL B 18 -1.588 -9.666 -11.800 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.651 -11.271 -9.672 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.226 -8.660 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.457 -8.270 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.487 -9.717 -7.671 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.721 -9.890 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.075 -7.546 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.750 -9.123 -9.540 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.067 -8.519 -11.001 1.00 0.00 H new ATOM 618 N CYS B 19 -3.907 -11.053 -10.092 1.00 0.00 N ATOM 619 CA CYS B 19 -5.175 -11.751 -9.883 1.00 0.00 C ATOM 620 C CYS B 19 -5.171 -13.096 -10.620 1.00 0.00 C ATOM 621 O CYS B 19 -5.671 -14.094 -10.104 1.00 0.00 O ATOM 622 CB CYS B 19 -6.326 -10.861 -10.374 1.00 0.00 C ATOM 623 SG CYS B 19 -6.501 -9.259 -9.552 1.00 0.00 S ATOM 0 H CYS B 19 -3.975 -10.281 -10.756 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.310 -11.954 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.193 -10.686 -11.442 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.259 -11.411 -10.255 1.00 0.00 H new ATOM 628 N GLY B 20 -4.591 -13.115 -11.823 1.00 0.00 N ATOM 629 CA GLY B 20 -4.590 -14.250 -12.747 1.00 0.00 C ATOM 630 C GLY B 20 -5.977 -14.543 -13.322 1.00 0.00 C ATOM 631 O GLY B 20 -6.491 -15.654 -13.192 1.00 0.00 O ATOM 0 H GLY B 20 -4.090 -12.308 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.898 -14.048 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.221 -15.135 -12.229 1.00 0.00 H new ATOM 635 N GLU B 21 -6.610 -13.521 -13.910 1.00 0.00 N ATOM 636 CA GLU B 21 -7.978 -13.545 -14.479 1.00 0.00 C ATOM 637 C GLU B 21 -9.119 -13.851 -13.469 1.00 0.00 C ATOM 638 O GLU B 21 -10.283 -14.000 -13.846 1.00 0.00 O ATOM 639 CB GLU B 21 -8.006 -14.437 -15.737 1.00 0.00 C ATOM 640 CG GLU B 21 -8.973 -13.941 -16.824 1.00 0.00 C ATOM 641 CD GLU B 21 -9.045 -14.934 -18.004 1.00 0.00 C ATOM 642 OE1 GLU B 21 -10.114 -15.559 -18.208 1.00 0.00 O ATOM 643 OE2 GLU B 21 -8.042 -15.101 -18.737 1.00 0.00 O ATOM 0 H GLU B 21 -6.168 -12.607 -14.011 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.209 -12.521 -14.773 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.001 -14.492 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.287 -15.450 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -9.967 -13.808 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.648 -12.966 -17.186 1.00 0.00 H new ATOM 650 N ARG B 22 -8.803 -13.904 -12.167 1.00 0.00 N ATOM 651 CA ARG B 22 -9.725 -14.136 -11.036 1.00 0.00 C ATOM 652 C ARG B 22 -10.814 -13.062 -10.898 1.00 0.00 C ATOM 653 O ARG B 22 -11.954 -13.367 -10.550 1.00 0.00 O ATOM 654 CB ARG B 22 -8.843 -14.175 -9.782 1.00 0.00 C ATOM 655 CG ARG B 22 -9.503 -14.662 -8.485 1.00 0.00 C ATOM 656 CD ARG B 22 -8.660 -14.265 -7.263 1.00 0.00 C ATOM 657 NE ARG B 22 -7.207 -14.480 -7.469 1.00 0.00 N ATOM 658 CZ ARG B 22 -6.226 -14.133 -6.659 1.00 0.00 C ATOM 659 NH1 ARG B 22 -6.409 -13.652 -5.465 1.00 0.00 N ATOM 660 NH2 ARG B 22 -4.991 -14.244 -7.029 1.00 0.00 N ATOM 0 H ARG B 22 -7.841 -13.779 -11.852 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.273 -15.065 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.987 -14.817 -9.989 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.454 -13.171 -9.609 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.502 -14.236 -8.397 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.620 -15.745 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.837 -13.215 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.988 -14.842 -6.399 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.936 -14.949 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.355 -13.524 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.606 -13.403 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.767 -14.603 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.242 -13.972 -6.393 1.00 0.00 H new ATOM 674 N GLY B 23 -10.453 -11.817 -11.206 1.00 0.00 N ATOM 675 CA GLY B 23 -11.325 -10.638 -11.224 1.00 0.00 C ATOM 676 C GLY B 23 -10.881 -9.519 -10.278 1.00 0.00 C ATOM 677 O GLY B 23 -10.169 -9.745 -9.303 1.00 0.00 O ATOM 0 H GLY B 23 -9.493 -11.589 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.367 -10.245 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.337 -10.944 -10.959 1.00 0.00 H new ATOM 681 N PHE B 24 -11.249 -8.292 -10.642 1.00 0.00 N ATOM 682 CA PHE B 24 -10.809 -6.999 -10.094 1.00 0.00 C ATOM 683 C PHE B 24 -11.584 -5.812 -10.711 1.00 0.00 C ATOM 684 O PHE B 24 -12.413 -5.987 -11.609 1.00 0.00 O ATOM 685 CB PHE B 24 -9.323 -6.818 -10.445 1.00 0.00 C ATOM 686 CG PHE B 24 -8.953 -6.914 -11.918 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.790 -5.748 -12.690 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.662 -8.170 -12.487 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.338 -5.839 -14.019 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.276 -8.268 -13.831 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.110 -7.100 -14.596 1.00 0.00 C ATOM 0 H PHE B 24 -11.923 -8.160 -11.396 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.988 -7.006 -9.019 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -9.002 -5.844 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.751 -7.569 -9.901 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -9.012 -4.782 -12.261 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.737 -9.063 -11.884 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.167 -4.942 -14.595 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.107 -9.237 -14.277 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.806 -7.172 -15.630 1.00 0.00 H new ATOM 701 N PHE B 25 -11.269 -4.594 -10.259 1.00 0.00 N ATOM 702 CA PHE B 25 -11.650 -3.319 -10.878 1.00 0.00 C ATOM 703 C PHE B 25 -10.419 -2.391 -10.940 1.00 0.00 C ATOM 704 O PHE B 25 -9.472 -2.566 -10.172 1.00 0.00 O ATOM 705 CB PHE B 25 -12.837 -2.690 -10.137 1.00 0.00 C ATOM 706 CG PHE B 25 -13.279 -1.360 -10.724 1.00 0.00 C ATOM 707 CD1 PHE B 25 -13.215 -0.188 -9.946 1.00 0.00 C ATOM 708 CD2 PHE B 25 -13.689 -1.284 -12.071 1.00 0.00 C ATOM 709 CE1 PHE B 25 -13.550 1.056 -10.514 1.00 0.00 C ATOM 710 CE2 PHE B 25 -14.018 -0.040 -12.639 1.00 0.00 C ATOM 711 CZ PHE B 25 -13.944 1.132 -11.863 1.00 0.00 C ATOM 0 H PHE B 25 -10.716 -4.463 -9.412 1.00 0.00 H new ATOM 0 HA PHE B 25 -11.986 -3.488 -11.901 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.677 -3.384 -10.156 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.567 -2.545 -9.091 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.908 -0.243 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -13.750 -2.182 -12.667 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.505 1.953 -9.914 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.328 0.016 -13.672 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.189 2.088 -12.302 1.00 0.00 H new ATOM 721 N TYR B 26 -10.400 -1.436 -11.878 1.00 0.00 N ATOM 722 CA TYR B 26 -9.212 -0.628 -12.209 1.00 0.00 C ATOM 723 C TYR B 26 -8.979 0.565 -11.261 1.00 0.00 C ATOM 724 O TYR B 26 -7.867 1.088 -11.181 1.00 0.00 O ATOM 725 CB TYR B 26 -9.317 -0.136 -13.668 1.00 0.00 C ATOM 726 CG TYR B 26 -10.144 -1.005 -14.604 1.00 0.00 C ATOM 727 CD1 TYR B 26 -9.749 -2.332 -14.878 1.00 0.00 C ATOM 728 CD2 TYR B 26 -11.347 -0.505 -15.143 1.00 0.00 C ATOM 729 CE1 TYR B 26 -10.554 -3.148 -15.696 1.00 0.00 C ATOM 730 CE2 TYR B 26 -12.149 -1.317 -15.965 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.756 -2.647 -16.243 1.00 0.00 C ATOM 732 OH TYR B 26 -12.530 -3.444 -17.032 1.00 0.00 O ATOM 0 H TYR B 26 -11.218 -1.197 -12.438 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.347 -1.280 -12.082 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -9.743 0.867 -13.663 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.310 -0.052 -14.076 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.832 -2.721 -14.461 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -11.654 0.507 -14.924 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.251 -4.163 -15.906 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -13.064 -0.925 -16.384 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.321 -2.945 -17.325 1.00 0.00 H new ATOM 742 N THR B 27 -10.035 1.010 -10.570 1.00 0.00 N ATOM 743 CA THR B 27 -10.074 2.054 -9.525 1.00 0.00 C ATOM 744 C THR B 27 -9.186 3.303 -9.761 1.00 0.00 C ATOM 745 O THR B 27 -8.412 3.680 -8.872 1.00 0.00 O ATOM 746 CB THR B 27 -9.876 1.448 -8.114 1.00 0.00 C ATOM 747 OG1 THR B 27 -10.472 0.170 -8.015 1.00 0.00 O ATOM 748 CG2 THR B 27 -10.535 2.294 -7.015 1.00 0.00 C ATOM 0 H THR B 27 -10.963 0.621 -10.737 1.00 0.00 H new ATOM 0 HA THR B 27 -11.083 2.460 -9.597 1.00 0.00 H new ATOM 0 HB THR B 27 -8.796 1.406 -7.975 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.242 0.120 -8.620 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.367 1.826 -6.045 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.100 3.294 -7.015 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.606 2.364 -7.203 1.00 0.00 H new ATOM 756 N PRO B 28 -9.273 4.006 -10.918 1.00 0.00 N ATOM 757 CA PRO B 28 -8.570 5.279 -11.123 1.00 0.00 C ATOM 758 C PRO B 28 -9.268 6.464 -10.426 1.00 0.00 C ATOM 759 O PRO B 28 -8.624 7.473 -10.128 1.00 0.00 O ATOM 760 CB PRO B 28 -8.536 5.458 -12.641 1.00 0.00 C ATOM 761 CG PRO B 28 -9.861 4.833 -13.084 1.00 0.00 C ATOM 762 CD PRO B 28 -10.028 3.658 -12.120 1.00 0.00 C ATOM 0 HA PRO B 28 -7.573 5.258 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.470 6.509 -12.923 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.680 4.953 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.687 5.540 -13.005 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.824 4.501 -14.122 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.080 3.494 -11.885 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.652 2.735 -12.562 1.00 0.00 H new ATOM 770 N LYS B 29 -10.575 6.340 -10.152 1.00 0.00 N ATOM 771 CA LYS B 29 -11.444 7.328 -9.489 1.00 0.00 C ATOM 772 C LYS B 29 -12.506 6.590 -8.663 1.00 0.00 C ATOM 773 O LYS B 29 -13.146 5.670 -9.176 1.00 0.00 O ATOM 774 CB LYS B 29 -12.051 8.237 -10.584 1.00 0.00 C ATOM 775 CG LYS B 29 -12.824 9.487 -10.117 1.00 0.00 C ATOM 776 CD LYS B 29 -14.232 9.279 -9.521 1.00 0.00 C ATOM 777 CE LYS B 29 -15.178 8.403 -10.362 1.00 0.00 C ATOM 778 NZ LYS B 29 -15.542 9.035 -11.655 1.00 0.00 N ATOM 0 H LYS B 29 -11.087 5.494 -10.403 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.890 7.960 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.242 8.565 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.724 7.631 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.216 9.998 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.917 10.161 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.128 8.829 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.697 10.255 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.703 7.441 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.085 8.203 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.180 8.405 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.021 9.941 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.681 9.203 -12.214 1.00 0.00 H new ATOM 792 N THR B 30 -12.698 6.988 -7.405 1.00 0.00 N ATOM 793 CA THR B 30 -13.747 6.458 -6.511 1.00 0.00 C ATOM 794 C THR B 30 -14.245 7.538 -5.529 1.00 0.00 C ATOM 795 O THR B 30 -13.589 8.568 -5.341 1.00 0.00 O ATOM 796 CB THR B 30 -13.251 5.190 -5.792 1.00 0.00 C ATOM 797 OG1 THR B 30 -14.335 4.527 -5.175 1.00 0.00 O ATOM 798 CG2 THR B 30 -12.179 5.448 -4.733 1.00 0.00 C ATOM 0 H THR B 30 -12.120 7.703 -6.963 1.00 0.00 H new ATOM 0 HA THR B 30 -14.608 6.172 -7.115 1.00 0.00 H new ATOM 0 HB THR B 30 -12.795 4.577 -6.569 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.010 3.721 -4.722 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.885 4.504 -4.275 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.310 5.911 -5.200 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.577 6.114 -3.967 1.00 0.00 H new ATOM 806 N ARG B 31 -15.430 7.325 -4.939 1.00 0.00 N ATOM 807 CA ARG B 31 -16.120 8.270 -4.038 1.00 0.00 C ATOM 808 C ARG B 31 -15.546 8.256 -2.615 1.00 0.00 C ATOM 809 O ARG B 31 -15.398 7.160 -2.024 1.00 0.00 O ATOM 810 CB ARG B 31 -17.637 8.005 -4.034 1.00 0.00 C ATOM 811 CG ARG B 31 -18.296 8.290 -5.399 1.00 0.00 C ATOM 812 CD ARG B 31 -19.807 8.021 -5.398 1.00 0.00 C ATOM 813 NE ARG B 31 -20.550 8.966 -4.538 1.00 0.00 N ATOM 814 CZ ARG B 31 -21.859 9.008 -4.373 1.00 0.00 C ATOM 815 NH1 ARG B 31 -22.665 8.181 -4.977 1.00 0.00 N ATOM 816 NH2 ARG B 31 -22.393 9.897 -3.590 1.00 0.00 N ATOM 817 OXT ARG B 31 -15.263 9.357 -2.089 1.00 0.00 O ATOM 0 H ARG B 31 -15.955 6.462 -5.078 1.00 0.00 H new ATOM 0 HA ARG B 31 -15.944 9.272 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -17.819 6.967 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -18.108 8.626 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -18.117 9.329 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -17.822 7.672 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -20.185 8.089 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -19.991 7.002 -5.057 1.00 0.00 H new ATOM 0 HE ARG B 31 -19.998 9.652 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -22.290 7.469 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -23.671 8.246 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -21.800 10.567 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -23.405 9.925 -3.466 1.00 0.00 H new TER 831 ARG B 31