USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 1 PHE N :NH3+ 170:sc= 0.408 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.591 K(o=1,f=-0.031) USER MOD Set 2.1: A 8 THR OG1 : rot -73:sc= 0.0673 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -174:sc= 1.35 (180deg=1.31) USER MOD Single : A 5 GLN : amide:sc= 0.766 K(o=0.77,f=-0.15) USER MOD Single : A 12 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= -0.0322 K(o=-0.032,f=-0.53) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0.371 K(o=0.37,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 9 SER OG : rot 91:sc= 1.4 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 120:sc= 0.0429 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.363) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.875 -23.419 8.020 1.00 0.00 N ATOM 2 CA GLY A 1 -10.476 -22.802 6.815 1.00 0.00 C ATOM 3 C GLY A 1 -9.522 -21.818 6.163 1.00 0.00 C ATOM 4 O GLY A 1 -8.714 -21.205 6.853 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.509 -24.159 8.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.957 -23.840 7.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.737 -22.692 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.743 -23.581 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.399 -22.290 7.088 1.00 0.00 H new ATOM 10 N ILE A 2 -9.598 -21.636 4.840 1.00 0.00 N ATOM 11 CA ILE A 2 -8.540 -20.975 4.041 1.00 0.00 C ATOM 12 C ILE A 2 -8.174 -19.550 4.490 1.00 0.00 C ATOM 13 O ILE A 2 -7.008 -19.166 4.428 1.00 0.00 O ATOM 14 CB ILE A 2 -8.905 -21.048 2.540 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.689 -20.769 1.626 1.00 0.00 C ATOM 16 CG2 ILE A 2 -10.153 -20.230 2.156 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.492 -19.329 1.135 1.00 0.00 C ATOM 0 H ILE A 2 -10.396 -21.942 4.283 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.621 -21.533 4.221 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.195 -22.084 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.789 -21.068 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.769 -21.415 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.341 -20.334 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.015 -20.597 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.987 -19.180 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.604 -19.278 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.364 -19.018 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.368 -18.666 1.991 1.00 0.00 H new ATOM 29 N VAL A 3 -9.123 -18.779 5.027 1.00 0.00 N ATOM 30 CA VAL A 3 -8.841 -17.422 5.534 1.00 0.00 C ATOM 31 C VAL A 3 -7.868 -17.434 6.727 1.00 0.00 C ATOM 32 O VAL A 3 -7.108 -16.485 6.871 1.00 0.00 O ATOM 33 CB VAL A 3 -10.138 -16.647 5.844 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.881 -15.200 6.275 1.00 0.00 C ATOM 35 CG2 VAL A 3 -11.100 -16.648 4.647 1.00 0.00 C ATOM 0 H VAL A 3 -10.097 -19.067 5.125 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.334 -16.884 4.733 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.595 -17.175 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.831 -14.707 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.267 -15.192 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.361 -14.670 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.002 -16.092 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.616 -16.178 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.366 -17.675 4.395 1.00 0.00 H new ATOM 45 N GLU A 4 -7.790 -18.504 7.535 1.00 0.00 N ATOM 46 CA GLU A 4 -6.766 -18.633 8.596 1.00 0.00 C ATOM 47 C GLU A 4 -5.347 -18.710 8.009 1.00 0.00 C ATOM 48 O GLU A 4 -4.445 -18.045 8.518 1.00 0.00 O ATOM 49 CB GLU A 4 -7.019 -19.865 9.494 1.00 0.00 C ATOM 50 CG GLU A 4 -8.051 -19.596 10.608 1.00 0.00 C ATOM 51 CD GLU A 4 -8.958 -20.787 10.991 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.655 -20.694 12.033 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.100 -21.773 10.231 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.426 -19.299 7.476 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.846 -17.734 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.367 -20.693 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.078 -20.178 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.517 -19.270 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.686 -18.767 10.296 1.00 0.00 H new ATOM 60 N GLN A 5 -5.160 -19.444 6.903 1.00 0.00 N ATOM 61 CA GLN A 5 -3.888 -19.496 6.171 1.00 0.00 C ATOM 62 C GLN A 5 -3.484 -18.102 5.660 1.00 0.00 C ATOM 63 O GLN A 5 -2.314 -17.740 5.759 1.00 0.00 O ATOM 64 CB GLN A 5 -3.986 -20.542 5.038 1.00 0.00 C ATOM 65 CG GLN A 5 -2.857 -20.505 3.992 1.00 0.00 C ATOM 66 CD GLN A 5 -1.466 -20.813 4.542 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.275 -21.582 5.476 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.432 -20.254 3.952 1.00 0.00 N ATOM 0 H GLN A 5 -5.892 -20.022 6.489 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.093 -19.811 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.007 -21.535 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.937 -20.404 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.088 -21.221 3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.840 -19.518 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.575 -19.612 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.513 -20.463 4.274 1.00 0.00 H new ATOM 77 N CYS A 6 -4.433 -17.295 5.171 1.00 0.00 N ATOM 78 CA CYS A 6 -4.147 -15.920 4.738 1.00 0.00 C ATOM 79 C CYS A 6 -3.912 -14.965 5.923 1.00 0.00 C ATOM 80 O CYS A 6 -3.106 -14.041 5.831 1.00 0.00 O ATOM 81 CB CYS A 6 -5.280 -15.396 3.847 1.00 0.00 C ATOM 82 SG CYS A 6 -5.816 -16.500 2.512 1.00 0.00 S ATOM 0 H CYS A 6 -5.409 -17.571 5.065 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.221 -15.951 4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.141 -15.178 4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.961 -14.452 3.405 1.00 0.00 H new ATOM 87 N CYS A 7 -4.594 -15.186 7.050 1.00 0.00 N ATOM 88 CA CYS A 7 -4.474 -14.377 8.265 1.00 0.00 C ATOM 89 C CYS A 7 -3.064 -14.474 8.888 1.00 0.00 C ATOM 90 O CYS A 7 -2.560 -13.487 9.429 1.00 0.00 O ATOM 91 CB CYS A 7 -5.559 -14.841 9.250 1.00 0.00 C ATOM 92 SG CYS A 7 -6.100 -13.648 10.502 1.00 0.00 S ATOM 0 H CYS A 7 -5.261 -15.952 7.145 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.618 -13.325 8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.432 -15.146 8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.192 -15.729 9.765 1.00 0.00 H new ATOM 97 N THR A 8 -2.407 -15.639 8.782 1.00 0.00 N ATOM 98 CA THR A 8 -1.043 -15.888 9.292 1.00 0.00 C ATOM 99 C THR A 8 0.063 -15.777 8.229 1.00 0.00 C ATOM 100 O THR A 8 1.164 -15.320 8.551 1.00 0.00 O ATOM 101 CB THR A 8 -0.953 -17.276 9.953 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.263 -18.299 9.030 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.899 -17.419 11.148 1.00 0.00 C ATOM 0 H THR A 8 -2.816 -16.456 8.329 1.00 0.00 H new ATOM 0 HA THR A 8 -0.868 -15.096 10.020 1.00 0.00 H new ATOM 0 HB THR A 8 0.076 -17.372 10.300 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.227 -18.300 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.795 -18.416 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.649 -16.672 11.901 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.927 -17.271 10.818 1.00 0.00 H new ATOM 111 N SER A 9 -0.207 -16.163 6.976 1.00 0.00 N ATOM 112 CA SER A 9 0.808 -16.487 5.953 1.00 0.00 C ATOM 113 C SER A 9 0.361 -16.138 4.515 1.00 0.00 C ATOM 114 O SER A 9 -0.679 -15.513 4.296 1.00 0.00 O ATOM 115 CB SER A 9 1.147 -17.988 6.065 1.00 0.00 C ATOM 116 OG SER A 9 1.816 -18.277 7.283 1.00 0.00 O ATOM 0 H SER A 9 -1.162 -16.263 6.631 1.00 0.00 H new ATOM 0 HA SER A 9 1.688 -15.873 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.231 -18.575 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.774 -18.285 5.224 1.00 0.00 H new ATOM 0 HG SER A 9 2.016 -19.235 7.327 1.00 0.00 H new ATOM 122 N ILE A 10 1.177 -16.501 3.516 1.00 0.00 N ATOM 123 CA ILE A 10 0.913 -16.282 2.081 1.00 0.00 C ATOM 124 C ILE A 10 -0.350 -17.006 1.559 1.00 0.00 C ATOM 125 O ILE A 10 -0.770 -18.031 2.103 1.00 0.00 O ATOM 126 CB ILE A 10 2.174 -16.592 1.230 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.988 -17.858 1.593 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.128 -15.387 1.306 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.223 -19.176 1.452 1.00 0.00 C ATOM 0 H ILE A 10 2.067 -16.970 3.686 1.00 0.00 H new ATOM 0 HA ILE A 10 0.686 -15.222 1.968 1.00 0.00 H new ATOM 0 HB ILE A 10 1.775 -16.789 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.873 -17.898 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.338 -17.765 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.019 -15.591 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.627 -14.501 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.415 -15.215 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.874 -20.006 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.353 -19.164 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.897 -19.299 0.419 1.00 0.00 H new ATOM 141 N CYS A 11 -0.955 -16.460 0.495 1.00 0.00 N ATOM 142 CA CYS A 11 -2.209 -16.930 -0.112 1.00 0.00 C ATOM 143 C CYS A 11 -2.316 -16.560 -1.602 1.00 0.00 C ATOM 144 O CYS A 11 -2.100 -15.410 -1.987 1.00 0.00 O ATOM 145 CB CYS A 11 -3.420 -16.344 0.634 1.00 0.00 C ATOM 146 SG CYS A 11 -4.132 -17.454 1.868 1.00 0.00 S ATOM 0 H CYS A 11 -0.570 -15.647 0.015 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.205 -18.017 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.118 -15.418 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.190 -16.084 -0.092 1.00 0.00 H new ATOM 151 N SER A 12 -2.764 -17.526 -2.408 1.00 0.00 N ATOM 152 CA SER A 12 -2.979 -17.424 -3.862 1.00 0.00 C ATOM 153 C SER A 12 -4.315 -18.066 -4.255 1.00 0.00 C ATOM 154 O SER A 12 -4.887 -18.835 -3.480 1.00 0.00 O ATOM 155 CB SER A 12 -1.825 -18.104 -4.618 1.00 0.00 C ATOM 156 OG SER A 12 -0.577 -17.506 -4.301 1.00 0.00 O ATOM 0 H SER A 12 -3.000 -18.451 -2.049 1.00 0.00 H new ATOM 0 HA SER A 12 -3.007 -16.369 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.797 -19.164 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.001 -18.036 -5.692 1.00 0.00 H new ATOM 0 HG SER A 12 0.138 -17.960 -4.795 1.00 0.00 H new ATOM 162 N LEU A 13 -4.825 -17.797 -5.463 1.00 0.00 N ATOM 163 CA LEU A 13 -6.145 -18.287 -5.905 1.00 0.00 C ATOM 164 C LEU A 13 -6.225 -19.827 -5.966 1.00 0.00 C ATOM 165 O LEU A 13 -7.303 -20.394 -5.792 1.00 0.00 O ATOM 166 CB LEU A 13 -6.533 -17.655 -7.258 1.00 0.00 C ATOM 167 CG LEU A 13 -6.911 -16.157 -7.200 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.698 -15.221 -7.222 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.788 -15.794 -8.400 1.00 0.00 C ATOM 0 H LEU A 13 -4.339 -17.236 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.867 -17.974 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.700 -17.777 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.375 -18.210 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.435 -16.020 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.036 -14.186 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.061 -15.431 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.132 -15.380 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.050 -14.737 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.242 -15.991 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.697 -16.395 -8.381 1.00 0.00 H new ATOM 181 N TYR A 14 -5.091 -20.519 -6.110 1.00 0.00 N ATOM 182 CA TYR A 14 -5.014 -21.982 -6.017 1.00 0.00 C ATOM 183 C TYR A 14 -5.390 -22.532 -4.620 1.00 0.00 C ATOM 184 O TYR A 14 -5.854 -23.667 -4.506 1.00 0.00 O ATOM 185 CB TYR A 14 -3.606 -22.422 -6.443 1.00 0.00 C ATOM 186 CG TYR A 14 -3.439 -23.923 -6.603 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.591 -24.644 -5.738 1.00 0.00 C ATOM 188 CD2 TYR A 14 -4.130 -24.596 -7.631 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.434 -26.035 -5.899 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.979 -25.987 -7.792 1.00 0.00 C ATOM 191 CZ TYR A 14 -3.129 -26.711 -6.927 1.00 0.00 C ATOM 192 OH TYR A 14 -2.982 -28.054 -7.096 1.00 0.00 O ATOM 0 H TYR A 14 -4.191 -20.076 -6.296 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.759 -22.407 -6.690 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.358 -21.938 -7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.888 -22.066 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.061 -24.129 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.777 -24.044 -8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.782 -26.585 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.514 -26.500 -8.577 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.534 -28.351 -7.849 1.00 0.00 H new ATOM 202 N GLN A 15 -5.264 -21.727 -3.554 1.00 0.00 N ATOM 203 CA GLN A 15 -5.777 -22.073 -2.221 1.00 0.00 C ATOM 204 C GLN A 15 -7.301 -21.891 -2.115 1.00 0.00 C ATOM 205 O GLN A 15 -7.955 -22.686 -1.444 1.00 0.00 O ATOM 206 CB GLN A 15 -5.048 -21.269 -1.128 1.00 0.00 C ATOM 207 CG GLN A 15 -3.542 -21.576 -1.030 1.00 0.00 C ATOM 208 CD GLN A 15 -3.215 -23.006 -0.580 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.047 -23.764 -0.096 1.00 0.00 O ATOM 210 NE2 GLN A 15 -1.977 -23.431 -0.711 1.00 0.00 N ATOM 0 H GLN A 15 -4.803 -20.818 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.573 -23.132 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.180 -20.205 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.515 -21.476 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.084 -21.401 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.085 -20.875 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.267 -22.818 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.727 -24.374 -0.412 1.00 0.00 H new ATOM 219 N LEU A 16 -7.900 -20.922 -2.822 1.00 0.00 N ATOM 220 CA LEU A 16 -9.365 -20.837 -2.951 1.00 0.00 C ATOM 221 C LEU A 16 -9.909 -22.058 -3.715 1.00 0.00 C ATOM 222 O LEU A 16 -10.854 -22.698 -3.259 1.00 0.00 O ATOM 223 CB LEU A 16 -9.793 -19.516 -3.627 1.00 0.00 C ATOM 224 CG LEU A 16 -9.369 -18.228 -2.893 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.670 -17.010 -3.769 1.00 0.00 C ATOM 226 CD2 LEU A 16 -10.113 -18.032 -1.572 1.00 0.00 C ATOM 0 H LEU A 16 -7.394 -20.185 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.796 -20.842 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.378 -19.493 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.878 -19.515 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.303 -18.327 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.369 -16.102 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.118 -17.090 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.738 -16.969 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.776 -17.110 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.184 -17.970 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.910 -18.875 -0.912 1.00 0.00 H new ATOM 238 N GLU A 17 -9.254 -22.454 -4.812 1.00 0.00 N ATOM 239 CA GLU A 17 -9.550 -23.676 -5.588 1.00 0.00 C ATOM 240 C GLU A 17 -9.432 -24.985 -4.772 1.00 0.00 C ATOM 241 O GLU A 17 -10.003 -26.007 -5.158 1.00 0.00 O ATOM 242 CB GLU A 17 -8.602 -23.754 -6.799 1.00 0.00 C ATOM 243 CG GLU A 17 -8.867 -22.705 -7.893 1.00 0.00 C ATOM 244 CD GLU A 17 -10.034 -23.058 -8.840 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.672 -22.131 -9.390 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.315 -24.253 -9.094 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.477 -21.920 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.592 -23.595 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.576 -23.641 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.680 -24.747 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.077 -21.746 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.960 -22.576 -8.484 1.00 0.00 H new ATOM 253 N ASN A 18 -8.735 -24.977 -3.628 1.00 0.00 N ATOM 254 CA ASN A 18 -8.639 -26.127 -2.717 1.00 0.00 C ATOM 255 C ASN A 18 -9.974 -26.440 -1.994 1.00 0.00 C ATOM 256 O ASN A 18 -10.149 -27.542 -1.470 1.00 0.00 O ATOM 257 CB ASN A 18 -7.491 -25.854 -1.724 1.00 0.00 C ATOM 258 CG ASN A 18 -6.962 -27.092 -1.014 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.076 -28.223 -1.468 1.00 0.00 O ATOM 260 ND2 ASN A 18 -6.324 -26.911 0.120 1.00 0.00 N ATOM 0 H ASN A 18 -8.215 -24.161 -3.304 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.423 -27.024 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.669 -25.379 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.837 -25.141 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.928 -27.710 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.225 -25.972 0.505 1.00 0.00 H new ATOM 267 N TYR A 19 -10.924 -25.493 -1.989 1.00 0.00 N ATOM 268 CA TYR A 19 -12.254 -25.618 -1.365 1.00 0.00 C ATOM 269 C TYR A 19 -13.397 -25.288 -2.342 1.00 0.00 C ATOM 270 O TYR A 19 -14.428 -25.965 -2.348 1.00 0.00 O ATOM 271 CB TYR A 19 -12.295 -24.736 -0.108 1.00 0.00 C ATOM 272 CG TYR A 19 -11.213 -25.077 0.903 1.00 0.00 C ATOM 273 CD1 TYR A 19 -11.382 -26.170 1.776 1.00 0.00 C ATOM 274 CD2 TYR A 19 -10.009 -24.347 0.920 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.356 -26.524 2.674 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.976 -24.706 1.808 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.149 -25.791 2.693 1.00 0.00 C ATOM 278 OH TYR A 19 -8.149 -26.124 3.553 1.00 0.00 O ATOM 0 H TYR A 19 -10.784 -24.586 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.412 -26.658 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.191 -23.692 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.271 -24.838 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.300 -26.738 1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.877 -23.510 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.493 -27.356 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.050 -24.150 1.811 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.393 -25.514 3.427 1.00 0.00 H new ATOM 288 N CYS A 20 -13.185 -24.312 -3.229 1.00 0.00 N ATOM 289 CA CYS A 20 -13.912 -24.120 -4.484 1.00 0.00 C ATOM 290 C CYS A 20 -13.469 -25.187 -5.514 1.00 0.00 C ATOM 291 O CYS A 20 -12.751 -24.890 -6.469 1.00 0.00 O ATOM 292 CB CYS A 20 -13.665 -22.675 -4.954 1.00 0.00 C ATOM 293 SG CYS A 20 -14.449 -22.188 -6.514 1.00 0.00 S ATOM 0 H CYS A 20 -12.468 -23.601 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.986 -24.254 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -14.010 -21.998 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.590 -22.527 -5.052 1.00 0.00 H new ATOM 298 N GLY A 21 -13.831 -26.454 -5.264 1.00 0.00 N ATOM 299 CA GLY A 21 -13.425 -27.629 -6.056 1.00 0.00 C ATOM 300 C GLY A 21 -14.212 -27.795 -7.355 1.00 0.00 C ATOM 301 O GLY A 21 -13.660 -27.481 -8.433 1.00 0.00 O ATOM 302 OXT GLY A 21 -15.373 -28.253 -7.282 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.435 -26.699 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.364 -27.548 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.549 -28.526 -5.449 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -6.826 -9.269 -2.518 1.00 0.00 N ATOM 308 CA PHE B 1 -6.701 -10.669 -2.027 1.00 0.00 C ATOM 309 C PHE B 1 -5.253 -11.179 -1.987 1.00 0.00 C ATOM 310 O PHE B 1 -4.755 -11.462 -0.900 1.00 0.00 O ATOM 311 CB PHE B 1 -7.623 -11.649 -2.785 1.00 0.00 C ATOM 312 CG PHE B 1 -7.294 -13.119 -2.551 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.915 -13.937 -3.633 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.291 -13.653 -1.247 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.533 -15.270 -3.409 1.00 0.00 C ATOM 316 CE2 PHE B 1 -6.914 -14.991 -1.027 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.531 -15.800 -2.109 1.00 0.00 C ATOM 0 H1 PHE B 1 -7.829 -9.046 -2.680 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.437 -8.616 -1.808 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.300 -9.165 -3.409 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.042 -10.635 -0.992 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.655 -11.466 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.560 -11.439 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.918 -13.539 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -7.580 -13.032 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.239 -15.891 -4.242 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -6.919 -15.396 -0.026 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.236 -16.825 -1.942 1.00 0.00 H new ATOM 329 N VAL B 2 -4.586 -11.368 -3.136 1.00 0.00 N ATOM 330 CA VAL B 2 -3.342 -12.166 -3.231 1.00 0.00 C ATOM 331 C VAL B 2 -2.220 -11.671 -2.299 1.00 0.00 C ATOM 332 O VAL B 2 -1.897 -10.483 -2.261 1.00 0.00 O ATOM 333 CB VAL B 2 -2.894 -12.299 -4.705 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.482 -10.972 -5.357 1.00 0.00 C ATOM 335 CG2 VAL B 2 -1.738 -13.289 -4.869 1.00 0.00 C ATOM 0 H VAL B 2 -4.889 -10.975 -4.027 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.572 -13.166 -2.864 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.784 -12.667 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.182 -11.152 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.325 -10.281 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.647 -10.540 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.457 -13.350 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -0.883 -12.950 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.050 -14.273 -4.519 1.00 0.00 H new ATOM 345 N ASN B 3 -1.639 -12.596 -1.526 1.00 0.00 N ATOM 346 CA ASN B 3 -0.512 -12.385 -0.606 1.00 0.00 C ATOM 347 C ASN B 3 -0.634 -11.156 0.328 1.00 0.00 C ATOM 348 O ASN B 3 0.338 -10.427 0.545 1.00 0.00 O ATOM 349 CB ASN B 3 0.815 -12.484 -1.388 1.00 0.00 C ATOM 350 CG ASN B 3 1.044 -13.880 -1.944 1.00 0.00 C ATOM 351 OD1 ASN B 3 0.831 -14.875 -1.267 1.00 0.00 O ATOM 352 ND2 ASN B 3 1.487 -14.010 -3.173 1.00 0.00 N ATOM 0 H ASN B 3 -1.959 -13.565 -1.524 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.532 -13.194 0.124 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.808 -11.764 -2.206 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.643 -12.214 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.652 -14.939 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.666 -13.182 -3.741 1.00 0.00 H new ATOM 359 N GLN B 4 -1.822 -10.940 0.909 1.00 0.00 N ATOM 360 CA GLN B 4 -2.055 -9.956 1.979 1.00 0.00 C ATOM 361 C GLN B 4 -2.969 -10.521 3.082 1.00 0.00 C ATOM 362 O GLN B 4 -3.828 -11.369 2.829 1.00 0.00 O ATOM 363 CB GLN B 4 -2.569 -8.629 1.385 1.00 0.00 C ATOM 364 CG GLN B 4 -4.033 -8.682 0.898 1.00 0.00 C ATOM 365 CD GLN B 4 -4.298 -8.030 -0.461 1.00 0.00 C ATOM 366 OE1 GLN B 4 -5.304 -7.364 -0.664 1.00 0.00 O ATOM 367 NE2 GLN B 4 -3.483 -8.224 -1.475 1.00 0.00 N ATOM 0 H GLN B 4 -2.664 -11.452 0.645 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.105 -9.740 2.468 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -2.476 -7.846 2.138 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -1.929 -8.345 0.549 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.344 -9.726 0.848 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.664 -8.197 1.643 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.633 -8.774 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.701 -7.825 -2.388 1.00 0.00 H new ATOM 376 N HIS B 5 -2.784 -10.055 4.319 1.00 0.00 N ATOM 377 CA HIS B 5 -3.339 -10.673 5.536 1.00 0.00 C ATOM 378 C HIS B 5 -4.777 -10.245 5.891 1.00 0.00 C ATOM 379 O HIS B 5 -5.133 -10.152 7.068 1.00 0.00 O ATOM 380 CB HIS B 5 -2.345 -10.507 6.701 1.00 0.00 C ATOM 381 CG HIS B 5 -0.950 -11.002 6.392 1.00 0.00 C ATOM 382 ND1 HIS B 5 0.025 -10.303 5.670 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.445 -12.220 6.743 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.094 -11.117 5.610 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.840 -12.273 6.248 1.00 0.00 N ATOM 0 H HIS B 5 -2.233 -9.219 4.512 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.457 -11.736 5.324 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.294 -9.453 6.974 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.726 -11.043 7.570 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.954 -12.993 7.301 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.025 -10.876 5.119 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.487 -13.055 6.348 1.00 0.00 H new ATOM 393 N LEU B 6 -5.619 -9.975 4.886 1.00 0.00 N ATOM 394 CA LEU B 6 -7.044 -9.666 5.073 1.00 0.00 C ATOM 395 C LEU B 6 -7.767 -10.900 5.653 1.00 0.00 C ATOM 396 O LEU B 6 -7.632 -12.008 5.130 1.00 0.00 O ATOM 397 CB LEU B 6 -7.627 -9.167 3.731 1.00 0.00 C ATOM 398 CG LEU B 6 -8.954 -8.376 3.759 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.180 -9.202 4.148 1.00 0.00 C ATOM 400 CD2 LEU B 6 -8.888 -7.145 4.664 1.00 0.00 C ATOM 0 H LEU B 6 -5.328 -9.965 3.909 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.189 -8.864 5.797 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -6.875 -8.538 3.255 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.771 -10.035 3.087 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.079 -8.066 2.722 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.065 -8.565 4.141 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.312 -10.015 3.434 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.038 -9.615 5.147 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -9.847 -6.628 4.645 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.663 -7.455 5.684 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.107 -6.473 4.308 1.00 0.00 H new ATOM 412 N CYS B 7 -8.486 -10.716 6.764 1.00 0.00 N ATOM 413 CA CYS B 7 -8.928 -11.796 7.653 1.00 0.00 C ATOM 414 C CYS B 7 -10.384 -11.606 8.140 1.00 0.00 C ATOM 415 O CYS B 7 -10.908 -10.487 8.144 1.00 0.00 O ATOM 416 CB CYS B 7 -7.888 -11.887 8.783 1.00 0.00 C ATOM 417 SG CYS B 7 -8.035 -13.261 9.954 1.00 0.00 S ATOM 0 H CYS B 7 -8.784 -9.792 7.078 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.971 -12.749 7.125 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.900 -11.940 8.326 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.927 -10.957 9.350 1.00 0.00 H new ATOM 422 N GLY B 8 -11.048 -12.699 8.539 1.00 0.00 N ATOM 423 CA GLY B 8 -12.484 -12.744 8.867 1.00 0.00 C ATOM 424 C GLY B 8 -13.402 -12.942 7.648 1.00 0.00 C ATOM 425 O GLY B 8 -12.938 -13.055 6.509 1.00 0.00 O ATOM 0 H GLY B 8 -10.590 -13.604 8.646 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.659 -13.554 9.575 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.760 -11.817 9.369 1.00 0.00 H new ATOM 429 N SER B 9 -14.720 -12.998 7.878 1.00 0.00 N ATOM 430 CA SER B 9 -15.710 -13.408 6.859 1.00 0.00 C ATOM 431 C SER B 9 -15.804 -12.514 5.620 1.00 0.00 C ATOM 432 O SER B 9 -16.335 -12.963 4.608 1.00 0.00 O ATOM 433 CB SER B 9 -17.108 -13.582 7.462 1.00 0.00 C ATOM 434 OG SER B 9 -17.690 -12.340 7.834 1.00 0.00 O ATOM 0 H SER B 9 -15.137 -12.760 8.778 1.00 0.00 H new ATOM 0 HA SER B 9 -15.321 -14.364 6.510 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.754 -14.082 6.740 1.00 0.00 H new ATOM 0 HB3 SER B 9 -17.047 -14.229 8.337 1.00 0.00 H new ATOM 0 HG SER B 9 -18.205 -11.981 7.081 1.00 0.00 H new ATOM 440 N HIS B 10 -15.237 -11.302 5.617 1.00 0.00 N ATOM 441 CA HIS B 10 -15.141 -10.489 4.395 1.00 0.00 C ATOM 442 C HIS B 10 -14.380 -11.198 3.265 1.00 0.00 C ATOM 443 O HIS B 10 -14.751 -11.027 2.104 1.00 0.00 O ATOM 444 CB HIS B 10 -14.539 -9.114 4.713 1.00 0.00 C ATOM 445 CG HIS B 10 -15.582 -8.155 5.233 1.00 0.00 C ATOM 446 ND1 HIS B 10 -16.460 -7.419 4.430 1.00 0.00 N ATOM 447 CD2 HIS B 10 -15.900 -7.941 6.543 1.00 0.00 C ATOM 448 CE1 HIS B 10 -17.283 -6.775 5.274 1.00 0.00 C ATOM 449 NE2 HIS B 10 -16.967 -7.068 6.548 1.00 0.00 N ATOM 0 H HIS B 10 -14.837 -10.861 6.446 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.155 -10.343 4.022 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.746 -9.226 5.453 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.080 -8.701 3.815 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -15.412 -8.371 7.405 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -18.084 -6.116 4.973 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -17.437 -6.706 7.377 1.00 0.00 H new ATOM 457 N LEU B 11 -13.390 -12.051 3.569 1.00 0.00 N ATOM 458 CA LEU B 11 -12.741 -12.883 2.546 1.00 0.00 C ATOM 459 C LEU B 11 -13.579 -14.117 2.144 1.00 0.00 C ATOM 460 O LEU B 11 -13.475 -14.565 1.007 1.00 0.00 O ATOM 461 CB LEU B 11 -11.299 -13.221 2.972 1.00 0.00 C ATOM 462 CG LEU B 11 -10.466 -13.972 1.907 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.435 -13.277 0.541 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.011 -14.085 2.368 1.00 0.00 C ATOM 0 H LEU B 11 -13.023 -12.182 4.512 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.679 -12.300 1.627 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.785 -12.295 3.228 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.335 -13.827 3.878 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.951 -14.942 1.796 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.832 -13.863 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.450 -13.190 0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.001 -12.283 0.648 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.430 -14.615 1.613 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.596 -13.087 2.511 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.969 -14.633 3.309 1.00 0.00 H new ATOM 476 N VAL B 12 -14.468 -14.625 3.008 1.00 0.00 N ATOM 477 CA VAL B 12 -15.474 -15.645 2.629 1.00 0.00 C ATOM 478 C VAL B 12 -16.510 -15.049 1.671 1.00 0.00 C ATOM 479 O VAL B 12 -16.785 -15.604 0.609 1.00 0.00 O ATOM 480 CB VAL B 12 -16.178 -16.250 3.864 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.280 -17.247 3.484 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.167 -16.968 4.756 1.00 0.00 C ATOM 0 H VAL B 12 -14.516 -14.346 3.988 1.00 0.00 H new ATOM 0 HA VAL B 12 -14.941 -16.451 2.124 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.635 -15.415 4.395 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.742 -17.642 4.389 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.035 -16.742 2.882 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.847 -18.067 2.911 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.679 -17.388 5.621 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.689 -17.769 4.192 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.410 -16.259 5.092 1.00 0.00 H new ATOM 492 N GLU B 13 -17.043 -13.879 2.012 1.00 0.00 N ATOM 493 CA GLU B 13 -18.010 -13.133 1.202 1.00 0.00 C ATOM 494 C GLU B 13 -17.404 -12.710 -0.151 1.00 0.00 C ATOM 495 O GLU B 13 -18.084 -12.773 -1.177 1.00 0.00 O ATOM 496 CB GLU B 13 -18.507 -11.919 2.009 1.00 0.00 C ATOM 497 CG GLU B 13 -19.324 -12.328 3.252 1.00 0.00 C ATOM 498 CD GLU B 13 -19.432 -11.190 4.290 1.00 0.00 C ATOM 499 OE1 GLU B 13 -19.819 -10.056 3.915 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.173 -11.434 5.495 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.809 -13.407 2.885 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.859 -13.776 0.971 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.652 -11.320 2.322 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.121 -11.287 1.367 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.325 -12.629 2.942 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.860 -13.197 3.718 1.00 0.00 H new ATOM 507 N ALA B 14 -16.110 -12.363 -0.183 1.00 0.00 N ATOM 508 CA ALA B 14 -15.359 -12.136 -1.417 1.00 0.00 C ATOM 509 C ALA B 14 -15.054 -13.431 -2.198 1.00 0.00 C ATOM 510 O ALA B 14 -15.082 -13.405 -3.422 1.00 0.00 O ATOM 511 CB ALA B 14 -14.072 -11.375 -1.085 1.00 0.00 C ATOM 0 H ALA B 14 -15.552 -12.231 0.660 1.00 0.00 H new ATOM 0 HA ALA B 14 -15.986 -11.541 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.506 -11.201 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.323 -10.418 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.470 -11.963 -0.392 1.00 0.00 H new ATOM 517 N LEU B 15 -14.810 -14.575 -1.551 1.00 0.00 N ATOM 518 CA LEU B 15 -14.586 -15.880 -2.202 1.00 0.00 C ATOM 519 C LEU B 15 -15.813 -16.324 -3.031 1.00 0.00 C ATOM 520 O LEU B 15 -15.655 -16.755 -4.178 1.00 0.00 O ATOM 521 CB LEU B 15 -14.090 -16.853 -1.103 1.00 0.00 C ATOM 522 CG LEU B 15 -14.085 -18.385 -1.282 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.379 -19.006 -0.763 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.783 -18.894 -2.692 1.00 0.00 C ATOM 0 H LEU B 15 -14.761 -14.626 -0.533 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.809 -15.842 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.064 -16.564 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.686 -16.647 -0.214 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.239 -18.713 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.346 -20.086 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.491 -18.781 0.298 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.226 -18.595 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.806 -19.984 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.532 -18.511 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.795 -18.551 -2.999 1.00 0.00 H new ATOM 536 N TYR B 16 -17.034 -16.066 -2.547 1.00 0.00 N ATOM 537 CA TYR B 16 -18.282 -16.199 -3.325 1.00 0.00 C ATOM 538 C TYR B 16 -18.434 -15.211 -4.510 1.00 0.00 C ATOM 539 O TYR B 16 -19.422 -15.291 -5.241 1.00 0.00 O ATOM 540 CB TYR B 16 -19.496 -16.153 -2.378 1.00 0.00 C ATOM 541 CG TYR B 16 -19.654 -17.390 -1.508 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.060 -18.606 -2.094 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.412 -17.333 -0.122 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.184 -19.769 -1.309 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.533 -18.493 0.667 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.910 -19.717 0.075 1.00 0.00 C ATOM 547 OH TYR B 16 -20.015 -20.836 0.845 1.00 0.00 O ATOM 0 H TYR B 16 -17.190 -15.754 -1.589 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.229 -17.173 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.407 -15.278 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.401 -16.022 -2.971 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.277 -18.646 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.133 -16.396 0.337 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.488 -20.699 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.337 -18.446 1.728 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.789 -20.617 1.773 1.00 0.00 H new ATOM 557 N LEU B 17 -17.459 -14.324 -4.753 1.00 0.00 N ATOM 558 CA LEU B 17 -17.356 -13.464 -5.945 1.00 0.00 C ATOM 559 C LEU B 17 -16.095 -13.767 -6.784 1.00 0.00 C ATOM 560 O LEU B 17 -16.166 -13.806 -8.013 1.00 0.00 O ATOM 561 CB LEU B 17 -17.384 -11.981 -5.513 1.00 0.00 C ATOM 562 CG LEU B 17 -18.630 -11.544 -4.715 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.447 -10.109 -4.220 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.906 -11.598 -5.559 1.00 0.00 C ATOM 0 H LEU B 17 -16.689 -14.179 -4.100 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.212 -13.676 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.499 -11.780 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.309 -11.359 -6.405 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.735 -12.238 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.329 -9.803 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.569 -10.055 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.313 -9.444 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.756 -11.282 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.803 -10.933 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.069 -12.618 -5.908 1.00 0.00 H new ATOM 576 N VAL B 18 -14.950 -14.007 -6.131 1.00 0.00 N ATOM 577 CA VAL B 18 -13.639 -14.284 -6.746 1.00 0.00 C ATOM 578 C VAL B 18 -13.610 -15.654 -7.429 1.00 0.00 C ATOM 579 O VAL B 18 -13.201 -15.741 -8.588 1.00 0.00 O ATOM 580 CB VAL B 18 -12.508 -14.154 -5.698 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.142 -14.643 -6.203 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.329 -12.691 -5.269 1.00 0.00 C ATOM 0 H VAL B 18 -14.908 -14.014 -5.112 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.472 -13.538 -7.523 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.823 -14.784 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.398 -14.522 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.211 -15.696 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.846 -14.059 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.529 -12.623 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.074 -12.085 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.257 -12.324 -4.831 1.00 0.00 H new ATOM 592 N CYS B 19 -14.068 -16.715 -6.749 1.00 0.00 N ATOM 593 CA CYS B 19 -14.245 -18.031 -7.376 1.00 0.00 C ATOM 594 C CYS B 19 -15.641 -18.147 -8.018 1.00 0.00 C ATOM 595 O CYS B 19 -15.765 -18.509 -9.187 1.00 0.00 O ATOM 596 CB CYS B 19 -13.946 -19.146 -6.364 1.00 0.00 C ATOM 597 SG CYS B 19 -13.299 -20.641 -7.162 1.00 0.00 S ATOM 0 H CYS B 19 -14.323 -16.686 -5.762 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.528 -18.146 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.223 -18.785 -5.632 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.857 -19.393 -5.818 1.00 0.00 H new ATOM 602 N GLY B 20 -16.685 -17.737 -7.285 1.00 0.00 N ATOM 603 CA GLY B 20 -18.037 -17.454 -7.792 1.00 0.00 C ATOM 604 C GLY B 20 -18.914 -18.649 -8.209 1.00 0.00 C ATOM 605 O GLY B 20 -20.022 -18.807 -7.695 1.00 0.00 O ATOM 0 H GLY B 20 -16.608 -17.587 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.573 -16.898 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.940 -16.794 -8.654 1.00 0.00 H new ATOM 609 N GLU B 21 -18.472 -19.452 -9.178 1.00 0.00 N ATOM 610 CA GLU B 21 -19.356 -20.279 -10.025 1.00 0.00 C ATOM 611 C GLU B 21 -19.913 -21.563 -9.372 1.00 0.00 C ATOM 612 O GLU B 21 -21.130 -21.767 -9.340 1.00 0.00 O ATOM 613 CB GLU B 21 -18.718 -20.602 -11.403 1.00 0.00 C ATOM 614 CG GLU B 21 -17.253 -20.204 -11.674 1.00 0.00 C ATOM 615 CD GLU B 21 -16.201 -21.053 -10.927 1.00 0.00 C ATOM 616 OE1 GLU B 21 -15.022 -21.079 -11.353 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.531 -21.736 -9.932 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.483 -19.553 -9.405 1.00 0.00 H new ATOM 0 HA GLU B 21 -20.225 -19.637 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.797 -21.678 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.332 -20.126 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -17.064 -20.277 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.118 -19.158 -11.397 1.00 0.00 H new ATOM 624 N ARG B 22 -19.032 -22.457 -8.907 1.00 0.00 N ATOM 625 CA ARG B 22 -19.339 -23.876 -8.630 1.00 0.00 C ATOM 626 C ARG B 22 -20.309 -24.145 -7.471 1.00 0.00 C ATOM 627 O ARG B 22 -21.083 -25.102 -7.549 1.00 0.00 O ATOM 628 CB ARG B 22 -18.007 -24.616 -8.396 1.00 0.00 C ATOM 629 CG ARG B 22 -17.390 -25.099 -9.720 1.00 0.00 C ATOM 630 CD ARG B 22 -15.888 -25.372 -9.584 1.00 0.00 C ATOM 631 NE ARG B 22 -15.118 -24.128 -9.724 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.810 -23.978 -9.706 1.00 0.00 C ATOM 633 NH1 ARG B 22 -12.983 -24.946 -9.452 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.311 -22.813 -9.971 1.00 0.00 N ATOM 0 H ARG B 22 -18.062 -22.214 -8.706 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.874 -24.247 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.306 -23.954 -7.887 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.174 -25.469 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.896 -26.008 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.554 -24.348 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.682 -25.825 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.573 -26.088 -10.344 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.664 -23.276 -9.851 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.338 -25.881 -9.253 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.978 -24.771 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.929 -22.031 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.300 -22.677 -9.962 1.00 0.00 H new ATOM 648 N GLY B 23 -20.261 -23.344 -6.405 1.00 0.00 N ATOM 649 CA GLY B 23 -20.810 -23.708 -5.090 1.00 0.00 C ATOM 650 C GLY B 23 -19.894 -24.721 -4.386 1.00 0.00 C ATOM 651 O GLY B 23 -19.597 -25.793 -4.920 1.00 0.00 O ATOM 0 H GLY B 23 -19.837 -22.416 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -20.916 -22.815 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -21.807 -24.132 -5.210 1.00 0.00 H new ATOM 655 N PHE B 24 -19.361 -24.343 -3.224 1.00 0.00 N ATOM 656 CA PHE B 24 -18.073 -24.861 -2.737 1.00 0.00 C ATOM 657 C PHE B 24 -18.214 -25.934 -1.647 1.00 0.00 C ATOM 658 O PHE B 24 -19.208 -25.971 -0.916 1.00 0.00 O ATOM 659 CB PHE B 24 -17.201 -23.674 -2.295 1.00 0.00 C ATOM 660 CG PHE B 24 -17.239 -22.472 -3.231 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.334 -21.182 -2.683 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.263 -22.628 -4.635 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.466 -20.065 -3.522 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.436 -21.511 -5.472 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.541 -20.229 -4.912 1.00 0.00 C ATOM 0 H PHE B 24 -19.803 -23.674 -2.594 1.00 0.00 H new ATOM 0 HA PHE B 24 -17.581 -25.384 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.521 -23.355 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.169 -24.013 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.305 -21.049 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.148 -23.611 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -17.510 -19.074 -3.095 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.488 -21.640 -6.543 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.679 -19.370 -5.551 1.00 0.00 H new ATOM 675 N PHE B 25 -17.209 -26.809 -1.530 1.00 0.00 N ATOM 676 CA PHE B 25 -17.201 -27.912 -0.562 1.00 0.00 C ATOM 677 C PHE B 25 -16.946 -27.399 0.866 1.00 0.00 C ATOM 678 O PHE B 25 -17.785 -27.578 1.749 1.00 0.00 O ATOM 679 CB PHE B 25 -16.173 -28.961 -1.016 1.00 0.00 C ATOM 680 CG PHE B 25 -16.100 -30.197 -0.140 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.181 -31.100 -0.110 1.00 0.00 C ATOM 682 CD2 PHE B 25 -14.946 -30.467 0.622 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.113 -32.262 0.679 1.00 0.00 C ATOM 684 CE2 PHE B 25 -14.874 -31.635 1.403 1.00 0.00 C ATOM 685 CZ PHE B 25 -15.958 -32.530 1.436 1.00 0.00 C ATOM 0 H PHE B 25 -16.371 -26.771 -2.110 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.181 -28.388 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -16.412 -29.268 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.188 -28.495 -1.047 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.066 -30.899 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.116 -29.777 0.607 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.947 -32.948 0.704 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.984 -31.845 1.978 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.904 -33.422 2.042 1.00 0.00 H new ATOM 695 N TYR B 26 -15.808 -26.715 1.057 1.00 0.00 N ATOM 696 CA TYR B 26 -15.462 -25.834 2.187 1.00 0.00 C ATOM 697 C TYR B 26 -15.940 -26.303 3.587 1.00 0.00 C ATOM 698 O TYR B 26 -16.525 -25.538 4.356 1.00 0.00 O ATOM 699 CB TYR B 26 -15.861 -24.385 1.832 1.00 0.00 C ATOM 700 CG TYR B 26 -15.253 -23.256 2.661 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.266 -23.486 3.648 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.692 -21.937 2.422 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.760 -22.420 4.411 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.175 -20.865 3.175 1.00 0.00 C ATOM 705 CZ TYR B 26 -14.216 -21.108 4.177 1.00 0.00 C ATOM 706 OH TYR B 26 -13.737 -20.087 4.933 1.00 0.00 O ATOM 0 H TYR B 26 -15.049 -26.765 0.377 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.381 -25.886 2.314 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -15.600 -24.212 0.788 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -16.946 -24.308 1.906 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -13.899 -24.488 3.816 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.430 -21.748 1.656 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.022 -22.607 5.177 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -15.514 -19.857 2.984 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.293 -19.432 4.355 1.00 0.00 H new ATOM 716 N THR B 27 -15.703 -27.575 3.927 1.00 0.00 N ATOM 717 CA THR B 27 -16.126 -28.162 5.216 1.00 0.00 C ATOM 718 C THR B 27 -15.192 -27.888 6.422 1.00 0.00 C ATOM 719 O THR B 27 -15.720 -27.746 7.531 1.00 0.00 O ATOM 720 CB THR B 27 -16.511 -29.646 5.048 1.00 0.00 C ATOM 721 OG1 THR B 27 -17.185 -30.110 6.198 1.00 0.00 O ATOM 722 CG2 THR B 27 -15.350 -30.608 4.800 1.00 0.00 C ATOM 0 H THR B 27 -15.213 -28.232 3.320 1.00 0.00 H new ATOM 0 HA THR B 27 -17.025 -27.616 5.501 1.00 0.00 H new ATOM 0 HB THR B 27 -17.135 -29.651 4.154 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.425 -31.053 6.078 1.00 0.00 H new ATOM 0 HG21 THR B 27 -15.734 -31.623 4.697 1.00 0.00 H new ATOM 0 HG22 THR B 27 -14.830 -30.322 3.886 1.00 0.00 H new ATOM 0 HG23 THR B 27 -14.657 -30.566 5.640 1.00 0.00 H new ATOM 730 N PRO B 28 -13.848 -27.729 6.292 1.00 0.00 N ATOM 731 CA PRO B 28 -12.956 -27.471 7.437 1.00 0.00 C ATOM 732 C PRO B 28 -13.042 -26.025 7.973 1.00 0.00 C ATOM 733 O PRO B 28 -12.158 -25.202 7.723 1.00 0.00 O ATOM 734 CB PRO B 28 -11.540 -27.883 6.982 1.00 0.00 C ATOM 735 CG PRO B 28 -11.800 -28.778 5.775 1.00 0.00 C ATOM 736 CD PRO B 28 -13.008 -28.086 5.156 1.00 0.00 C ATOM 0 HA PRO B 28 -13.262 -28.061 8.301 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.936 -27.016 6.716 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -11.005 -28.415 7.768 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.949 -28.810 5.094 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -12.017 -29.807 6.063 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -12.712 -27.204 4.589 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.533 -28.747 4.466 1.00 0.00 H new ATOM 744 N LYS B 29 -14.105 -25.730 8.736 1.00 0.00 N ATOM 745 CA LYS B 29 -14.461 -24.429 9.349 1.00 0.00 C ATOM 746 C LYS B 29 -14.672 -23.290 8.335 1.00 0.00 C ATOM 747 O LYS B 29 -13.712 -22.684 7.854 1.00 0.00 O ATOM 748 CB LYS B 29 -13.425 -24.019 10.416 1.00 0.00 C ATOM 749 CG LYS B 29 -13.322 -24.955 11.635 1.00 0.00 C ATOM 750 CD LYS B 29 -11.969 -24.805 12.356 1.00 0.00 C ATOM 751 CE LYS B 29 -11.628 -23.346 12.697 1.00 0.00 C ATOM 752 NZ LYS B 29 -10.212 -23.188 13.114 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.795 -26.446 8.962 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.429 -24.588 9.825 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.445 -23.959 9.942 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.670 -23.017 10.769 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.132 -24.736 12.331 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.450 -25.988 11.312 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.986 -25.392 13.274 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.181 -25.219 11.727 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.823 -22.716 11.829 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.282 -22.998 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.866 -22.252 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.143 -23.275 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.633 -23.926 12.665 1.00 0.00 H new ATOM 766 N THR B 30 -15.932 -22.923 8.090 1.00 0.00 N ATOM 767 CA THR B 30 -16.289 -21.661 7.412 1.00 0.00 C ATOM 768 C THR B 30 -15.859 -20.473 8.282 1.00 0.00 C ATOM 769 O THR B 30 -16.153 -20.434 9.480 1.00 0.00 O ATOM 770 CB THR B 30 -17.797 -21.571 7.118 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.234 -22.737 6.452 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.134 -20.376 6.223 1.00 0.00 C ATOM 0 H THR B 30 -16.739 -23.488 8.354 1.00 0.00 H new ATOM 0 HA THR B 30 -15.765 -21.636 6.456 1.00 0.00 H new ATOM 0 HB THR B 30 -18.297 -21.456 8.080 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.195 -22.670 6.271 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.208 -20.350 6.040 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.827 -19.454 6.717 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.607 -20.472 5.274 1.00 0.00 H new ATOM 780 N ARG B 31 -15.118 -19.519 7.708 1.00 0.00 N ATOM 781 CA ARG B 31 -14.356 -18.517 8.473 1.00 0.00 C ATOM 782 C ARG B 31 -15.184 -17.302 8.919 1.00 0.00 C ATOM 783 O ARG B 31 -15.379 -16.358 8.154 1.00 0.00 O ATOM 784 CB ARG B 31 -13.118 -18.121 7.652 1.00 0.00 C ATOM 785 CG ARG B 31 -12.043 -19.224 7.680 1.00 0.00 C ATOM 786 CD ARG B 31 -10.957 -19.002 8.739 1.00 0.00 C ATOM 787 NE ARG B 31 -11.404 -19.244 10.122 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.807 -18.364 11.017 1.00 0.00 C ATOM 789 NH1 ARG B 31 -12.143 -17.150 10.704 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -11.870 -18.714 12.264 1.00 0.00 N ATOM 0 H ARG B 31 -15.027 -19.417 6.697 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.046 -18.971 9.414 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.412 -17.925 6.621 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.700 -17.195 8.046 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.525 -20.184 7.863 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.573 -19.286 6.698 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.114 -19.658 8.522 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.593 -17.978 8.661 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.401 -20.218 10.426 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -12.101 -16.844 9.732 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.449 -16.502 11.430 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.609 -19.660 12.542 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.180 -18.043 12.967 1.00 0.00 H new ATOM 804 N ARG B 32 -15.602 -17.312 10.189 1.00 0.00 N ATOM 805 CA ARG B 32 -16.104 -16.155 10.961 1.00 0.00 C ATOM 806 C ARG B 32 -14.967 -15.201 11.348 1.00 0.00 C ATOM 807 O ARG B 32 -15.056 -14.015 10.959 1.00 0.00 O ATOM 808 CB ARG B 32 -16.919 -16.688 12.161 1.00 0.00 C ATOM 809 CG ARG B 32 -17.151 -15.768 13.379 1.00 0.00 C ATOM 810 CD ARG B 32 -17.580 -14.315 13.127 1.00 0.00 C ATOM 811 NE ARG B 32 -18.670 -14.179 12.141 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.635 -13.462 11.033 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.557 -12.882 10.603 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.697 -13.317 10.298 1.00 0.00 N ATOM 815 OXT ARG B 32 -14.007 -15.647 12.015 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.602 -18.170 10.741 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.771 -15.546 10.350 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.897 -16.990 11.786 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -16.423 -17.590 12.520 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.910 -16.234 14.007 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -16.228 -15.746 13.959 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.898 -13.871 14.070 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.717 -13.746 12.782 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.533 -14.688 12.334 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.687 -12.970 11.127 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.580 -12.338 9.740 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.573 -13.760 10.575 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.654 -12.760 9.445 1.00 0.00 H new TER 829 ARG B 32