USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 Single : A 4 THR OG1 : rot 28:sc= 0.667 USER MOD Single : A 5 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.54) USER MOD Single : A 17 ASN : amide:sc= 0.0847 X(o=0.085,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= 0.107 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= 0.0894 (180deg=-3.58!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.518 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.209 USER MOD Single : A 43 SER OG : rot -166:sc= -1.33 USER MOD Single : A 44 MET CE :methyl -109:sc= -4.05! (180deg=-9.91!) USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 0.802 (180deg=-1.17!) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.09) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= -0.0011 (180deg=-0.0533) USER MOD Single : A 69 THR OG1 : rot -82:sc= 1.02 USER MOD Single : A 74 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0284 (180deg=-0.259) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.055) USER MOD Single : A 81 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 10.343 -7.590 -2.068 1.00 0.00 N ATOM 41 CA THR A 4 9.752 -7.502 -3.390 1.00 0.00 C ATOM 42 C THR A 4 8.221 -7.461 -3.294 1.00 0.00 C ATOM 43 O THR A 4 7.669 -7.304 -2.200 1.00 0.00 O ATOM 44 CB THR A 4 10.211 -8.683 -4.260 1.00 0.00 C ATOM 45 OG1 THR A 4 11.495 -9.133 -3.807 1.00 0.00 O ATOM 46 CG2 THR A 4 10.318 -8.269 -5.725 1.00 0.00 C ATOM 0 HA THR A 4 10.088 -6.578 -3.860 1.00 0.00 H new ATOM 0 HB THR A 4 9.476 -9.483 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.592 -8.937 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.644 -9.121 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.345 -7.930 -6.079 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.042 -7.460 -5.822 1.00 0.00 H new ATOM 54 N GLN A 5 7.542 -7.618 -4.430 1.00 0.00 N ATOM 55 CA GLN A 5 6.100 -7.410 -4.510 1.00 0.00 C ATOM 56 C GLN A 5 5.354 -8.227 -3.462 1.00 0.00 C ATOM 57 O GLN A 5 4.645 -7.665 -2.642 1.00 0.00 O ATOM 58 CB GLN A 5 5.590 -7.769 -5.908 1.00 0.00 C ATOM 59 CG GLN A 5 4.235 -7.161 -6.237 1.00 0.00 C ATOM 60 CD GLN A 5 3.692 -7.634 -7.572 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.002 -7.067 -8.618 1.00 0.00 O ATOM 62 NE2 GLN A 5 2.845 -8.650 -7.542 1.00 0.00 N ATOM 0 H GLN A 5 7.973 -7.891 -5.313 1.00 0.00 H new ATOM 0 HA GLN A 5 5.909 -6.355 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.318 -7.435 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.523 -8.854 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.526 -7.416 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.322 -6.075 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.613 -9.094 -6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.424 -8.989 -8.407 1.00 0.00 H new ATOM 71 N GLU A 6 5.552 -9.540 -3.463 1.00 0.00 N ATOM 72 CA GLU A 6 4.814 -10.428 -2.562 1.00 0.00 C ATOM 73 C GLU A 6 5.114 -10.130 -1.093 1.00 0.00 C ATOM 74 O GLU A 6 4.218 -10.168 -0.249 1.00 0.00 O ATOM 75 CB GLU A 6 5.133 -11.892 -2.875 1.00 0.00 C ATOM 76 CG GLU A 6 6.617 -12.225 -2.813 1.00 0.00 C ATOM 77 CD GLU A 6 6.913 -13.632 -3.281 1.00 0.00 C ATOM 78 OE1 GLU A 6 6.914 -13.858 -4.508 1.00 0.00 O ATOM 79 OE2 GLU A 6 7.146 -14.514 -2.432 1.00 0.00 O ATOM 0 H GLU A 6 6.215 -10.016 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 6 3.752 -10.247 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.598 -12.529 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.758 -12.131 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.171 -11.516 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.971 -12.104 -1.789 1.00 0.00 H new ATOM 86 N GLU A 7 6.365 -9.815 -0.800 1.00 0.00 N ATOM 87 CA GLU A 7 6.791 -9.545 0.567 1.00 0.00 C ATOM 88 C GLU A 7 6.166 -8.259 1.093 1.00 0.00 C ATOM 89 O GLU A 7 5.515 -8.248 2.142 1.00 0.00 O ATOM 90 CB GLU A 7 8.313 -9.441 0.622 1.00 0.00 C ATOM 91 CG GLU A 7 9.026 -10.759 0.380 1.00 0.00 C ATOM 92 CD GLU A 7 8.725 -11.783 1.454 1.00 0.00 C ATOM 93 OE1 GLU A 7 9.415 -11.778 2.495 1.00 0.00 O ATOM 94 OE2 GLU A 7 7.804 -12.601 1.261 1.00 0.00 O ATOM 0 H GLU A 7 7.109 -9.739 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 7 6.457 -10.369 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.646 -8.717 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.606 -9.054 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.730 -11.157 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.101 -10.585 0.338 1.00 0.00 H new ATOM 101 N ILE A 8 6.354 -7.180 0.350 1.00 0.00 N ATOM 102 CA ILE A 8 5.828 -5.890 0.749 1.00 0.00 C ATOM 103 C ILE A 8 4.299 -5.934 0.691 1.00 0.00 C ATOM 104 O ILE A 8 3.629 -5.318 1.508 1.00 0.00 O ATOM 105 CB ILE A 8 6.407 -4.754 -0.136 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.466 -3.419 0.625 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.610 -4.602 -1.418 1.00 0.00 C ATOM 108 CD1 ILE A 8 5.124 -2.755 0.851 1.00 0.00 C ATOM 0 H ILE A 8 6.867 -7.175 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 8 6.133 -5.673 1.773 1.00 0.00 H new ATOM 0 HB ILE A 8 7.427 -5.034 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.938 -3.589 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.107 -2.731 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.037 -3.799 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.645 -5.535 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.574 -4.362 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.267 -1.821 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.655 -2.547 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.483 -3.418 1.432 1.00 0.00 H new ATOM 120 N VAL A 9 3.759 -6.709 -0.251 1.00 0.00 N ATOM 121 CA VAL A 9 2.318 -6.902 -0.353 1.00 0.00 C ATOM 122 C VAL A 9 1.777 -7.570 0.905 1.00 0.00 C ATOM 123 O VAL A 9 0.717 -7.199 1.390 1.00 0.00 O ATOM 124 CB VAL A 9 1.932 -7.724 -1.613 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.689 -8.576 -1.383 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.696 -6.796 -2.793 1.00 0.00 C ATOM 0 H VAL A 9 4.301 -7.212 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 9 1.864 -5.916 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 9 2.765 -8.394 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.457 -9.133 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.872 -9.274 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.152 -7.931 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.426 -7.384 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.887 -6.105 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.606 -6.232 -3.000 1.00 0.00 H new ATOM 136 N ALA A 10 2.517 -8.530 1.447 1.00 0.00 N ATOM 137 CA ALA A 10 2.105 -9.197 2.676 1.00 0.00 C ATOM 138 C ALA A 10 1.978 -8.189 3.814 1.00 0.00 C ATOM 139 O ALA A 10 0.990 -8.188 4.550 1.00 0.00 O ATOM 140 CB ALA A 10 3.083 -10.302 3.049 1.00 0.00 C ATOM 0 H ALA A 10 3.399 -8.862 1.058 1.00 0.00 H new ATOM 0 HA ALA A 10 1.129 -9.652 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.753 -10.784 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.122 -11.039 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.075 -9.875 3.198 1.00 0.00 H new ATOM 146 N GLY A 11 2.969 -7.308 3.926 1.00 0.00 N ATOM 147 CA GLY A 11 2.933 -6.274 4.944 1.00 0.00 C ATOM 148 C GLY A 11 1.892 -5.212 4.641 1.00 0.00 C ATOM 149 O GLY A 11 1.175 -4.762 5.534 1.00 0.00 O ATOM 0 H GLY A 11 3.796 -7.293 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.718 -6.726 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.915 -5.807 5.021 1.00 0.00 H new ATOM 153 N LEU A 12 1.815 -4.826 3.371 1.00 0.00 N ATOM 154 CA LEU A 12 0.855 -3.829 2.907 1.00 0.00 C ATOM 155 C LEU A 12 -0.567 -4.328 3.158 1.00 0.00 C ATOM 156 O LEU A 12 -1.361 -3.660 3.815 1.00 0.00 O ATOM 157 CB LEU A 12 1.071 -3.562 1.401 1.00 0.00 C ATOM 158 CG LEU A 12 0.889 -2.110 0.918 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.513 -1.605 1.197 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.922 -1.191 1.556 1.00 0.00 C ATOM 0 H LEU A 12 2.416 -5.195 2.634 1.00 0.00 H new ATOM 0 HA LEU A 12 1.003 -2.899 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.080 -3.882 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.382 -4.195 0.842 1.00 0.00 H new ATOM 0 HG LEU A 12 1.040 -2.103 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.607 -0.578 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.236 -2.235 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.705 -1.639 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.772 -0.172 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.811 -1.216 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.923 -1.527 1.286 1.00 0.00 H new ATOM 172 N ALA A 13 -0.860 -5.526 2.662 1.00 0.00 N ATOM 173 CA ALA A 13 -2.185 -6.124 2.770 1.00 0.00 C ATOM 174 C ALA A 13 -2.630 -6.260 4.216 1.00 0.00 C ATOM 175 O ALA A 13 -3.733 -5.847 4.574 1.00 0.00 O ATOM 176 CB ALA A 13 -2.195 -7.488 2.109 1.00 0.00 C ATOM 0 H ALA A 13 -0.183 -6.111 2.172 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.884 -5.459 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.189 -7.927 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.934 -7.384 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.469 -8.136 2.600 1.00 0.00 H new ATOM 182 N GLU A 14 -1.763 -6.844 5.037 1.00 0.00 N ATOM 183 CA GLU A 14 -2.045 -7.035 6.455 1.00 0.00 C ATOM 184 C GLU A 14 -2.393 -5.702 7.111 1.00 0.00 C ATOM 185 O GLU A 14 -3.256 -5.622 7.988 1.00 0.00 O ATOM 186 CB GLU A 14 -0.824 -7.649 7.146 1.00 0.00 C ATOM 187 CG GLU A 14 -1.052 -8.008 8.606 1.00 0.00 C ATOM 188 CD GLU A 14 -1.953 -9.213 8.783 1.00 0.00 C ATOM 189 OE1 GLU A 14 -3.141 -9.142 8.415 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.472 -10.242 9.303 1.00 0.00 O ATOM 0 H GLU A 14 -0.852 -7.196 4.741 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.896 -7.709 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.527 -8.547 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.008 -6.948 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.091 -8.206 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.491 -7.153 9.121 1.00 0.00 H new ATOM 197 N ILE A 15 -1.728 -4.655 6.652 1.00 0.00 N ATOM 198 CA ILE A 15 -1.906 -3.333 7.216 1.00 0.00 C ATOM 199 C ILE A 15 -3.156 -2.640 6.660 1.00 0.00 C ATOM 200 O ILE A 15 -3.804 -1.865 7.363 1.00 0.00 O ATOM 201 CB ILE A 15 -0.631 -2.479 7.001 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.034 -2.218 8.357 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.928 -1.176 6.267 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.379 -1.537 8.267 1.00 0.00 C ATOM 0 H ILE A 15 -1.057 -4.699 5.885 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.063 -3.442 8.289 1.00 0.00 H new ATOM 0 HB ILE A 15 0.055 -3.036 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.632 -1.604 8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.154 -3.168 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.004 -0.611 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.355 -1.398 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.637 -0.585 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.780 -1.390 9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.064 -2.159 7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.265 -0.571 7.776 1.00 0.00 H new ATOM 216 N VAL A 16 -3.515 -2.924 5.411 1.00 0.00 N ATOM 217 CA VAL A 16 -4.742 -2.368 4.845 1.00 0.00 C ATOM 218 C VAL A 16 -5.949 -3.091 5.427 1.00 0.00 C ATOM 219 O VAL A 16 -7.044 -2.535 5.510 1.00 0.00 O ATOM 220 CB VAL A 16 -4.802 -2.459 3.305 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.013 -1.702 2.780 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.534 -1.926 2.670 1.00 0.00 C ATOM 0 H VAL A 16 -2.985 -3.525 4.780 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.751 -1.310 5.109 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.895 -3.511 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.044 -1.774 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.922 -2.135 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.942 -0.654 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.609 -2.005 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.399 -0.881 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.681 -2.508 3.018 1.00 0.00 H new ATOM 232 N ASN A 17 -5.735 -4.334 5.835 1.00 0.00 N ATOM 233 CA ASN A 17 -6.775 -5.112 6.494 1.00 0.00 C ATOM 234 C ASN A 17 -7.150 -4.442 7.813 1.00 0.00 C ATOM 235 O ASN A 17 -8.283 -4.541 8.280 1.00 0.00 O ATOM 236 CB ASN A 17 -6.285 -6.545 6.741 1.00 0.00 C ATOM 237 CG ASN A 17 -7.409 -7.509 7.075 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.761 -7.696 8.238 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.964 -8.144 6.051 1.00 0.00 N ATOM 0 H ASN A 17 -4.849 -4.826 5.721 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.656 -5.156 5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.760 -6.901 5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.564 -6.540 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.713 -8.817 6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.642 -7.959 5.101 1.00 0.00 H new ATOM 246 N GLU A 18 -6.179 -3.738 8.395 1.00 0.00 N ATOM 247 CA GLU A 18 -6.404 -2.949 9.600 1.00 0.00 C ATOM 248 C GLU A 18 -7.343 -1.784 9.298 1.00 0.00 C ATOM 249 O GLU A 18 -8.183 -1.407 10.116 1.00 0.00 O ATOM 250 CB GLU A 18 -5.072 -2.401 10.127 1.00 0.00 C ATOM 251 CG GLU A 18 -5.150 -1.851 11.540 1.00 0.00 C ATOM 252 CD GLU A 18 -5.492 -2.913 12.569 1.00 0.00 C ATOM 253 OE1 GLU A 18 -4.563 -3.573 13.077 1.00 0.00 O ATOM 254 OE2 GLU A 18 -6.690 -3.070 12.895 1.00 0.00 O ATOM 0 H GLU A 18 -5.222 -3.700 8.045 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.856 -3.592 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.326 -3.195 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.725 -1.613 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.195 -1.395 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.901 -1.062 11.576 1.00 0.00 H new ATOM 261 N ILE A 19 -7.194 -1.230 8.104 1.00 0.00 N ATOM 262 CA ILE A 19 -7.931 -0.042 7.712 1.00 0.00 C ATOM 263 C ILE A 19 -9.349 -0.386 7.275 1.00 0.00 C ATOM 264 O ILE A 19 -10.319 0.183 7.777 1.00 0.00 O ATOM 265 CB ILE A 19 -7.221 0.696 6.562 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.738 0.876 6.884 1.00 0.00 C ATOM 267 CG2 ILE A 19 -7.882 2.042 6.320 1.00 0.00 C ATOM 268 CD1 ILE A 19 -4.956 1.570 5.792 1.00 0.00 C ATOM 0 H ILE A 19 -6.564 -1.589 7.386 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.974 0.606 8.588 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.305 0.099 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.643 1.449 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.295 -0.102 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.373 2.556 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.929 1.891 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.820 2.646 7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.912 1.661 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.019 0.987 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.372 2.563 5.621 1.00 0.00 H new ATOM 280 N ALA A 20 -9.464 -1.324 6.346 1.00 0.00 N ATOM 281 CA ALA A 20 -10.760 -1.701 5.808 1.00 0.00 C ATOM 282 C ALA A 20 -10.970 -3.207 5.885 1.00 0.00 C ATOM 283 O ALA A 20 -11.567 -3.697 6.841 1.00 0.00 O ATOM 284 CB ALA A 20 -10.910 -1.200 4.385 1.00 0.00 C ATOM 0 H ALA A 20 -8.676 -1.837 5.950 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.531 -1.231 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.886 -1.491 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.823 -0.114 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.128 -1.635 3.762 1.00 0.00 H new ATOM 290 N GLY A 21 -10.479 -3.948 4.896 1.00 0.00 N ATOM 291 CA GLY A 21 -10.599 -5.391 4.964 1.00 0.00 C ATOM 292 C GLY A 21 -10.486 -6.106 3.630 1.00 0.00 C ATOM 293 O GLY A 21 -11.366 -6.885 3.272 1.00 0.00 O ATOM 0 H GLY A 21 -10.010 -3.584 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.827 -5.774 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.561 -5.640 5.413 1.00 0.00 H new ATOM 297 N ILE A 22 -9.415 -5.855 2.886 1.00 0.00 N ATOM 298 CA ILE A 22 -9.073 -6.724 1.767 1.00 0.00 C ATOM 299 C ILE A 22 -8.167 -7.834 2.294 1.00 0.00 C ATOM 300 O ILE A 22 -7.159 -7.550 2.947 1.00 0.00 O ATOM 301 CB ILE A 22 -8.356 -5.984 0.600 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.315 -5.057 -0.166 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.733 -6.984 -0.362 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.479 -5.773 -0.819 1.00 0.00 C ATOM 0 H ILE A 22 -8.779 -5.071 3.033 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.003 -7.115 1.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.573 -5.368 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.704 -4.306 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.753 -4.525 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.236 -6.449 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.004 -7.595 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.512 -7.625 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.107 -5.049 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.102 -6.504 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.068 -6.282 -0.056 1.00 0.00 H new ATOM 316 N PRO A 23 -8.537 -9.106 2.072 1.00 0.00 N ATOM 317 CA PRO A 23 -7.717 -10.246 2.485 1.00 0.00 C ATOM 318 C PRO A 23 -6.307 -10.152 1.915 1.00 0.00 C ATOM 319 O PRO A 23 -6.118 -9.658 0.801 1.00 0.00 O ATOM 320 CB PRO A 23 -8.449 -11.454 1.895 1.00 0.00 C ATOM 321 CG PRO A 23 -9.858 -11.001 1.724 1.00 0.00 C ATOM 322 CD PRO A 23 -9.784 -9.533 1.412 1.00 0.00 C ATOM 0 HA PRO A 23 -7.600 -10.299 3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.012 -11.755 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.389 -12.316 2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.349 -11.547 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.438 -11.179 2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.752 -9.352 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.649 -8.995 1.801 1.00 0.00 H new ATOM 330 N VAL A 24 -5.325 -10.637 2.667 1.00 0.00 N ATOM 331 CA VAL A 24 -3.923 -10.528 2.263 1.00 0.00 C ATOM 332 C VAL A 24 -3.676 -11.107 0.865 1.00 0.00 C ATOM 333 O VAL A 24 -2.873 -10.581 0.098 1.00 0.00 O ATOM 334 CB VAL A 24 -2.980 -11.208 3.284 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.024 -10.474 4.617 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.338 -12.676 3.477 1.00 0.00 C ATOM 0 H VAL A 24 -5.471 -11.109 3.559 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.699 -9.462 2.234 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.966 -11.159 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.355 -10.964 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.707 -9.441 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.041 -10.490 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.657 -13.125 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.361 -12.756 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.253 -13.200 2.525 1.00 0.00 H new ATOM 346 N GLU A 25 -4.398 -12.169 0.534 1.00 0.00 N ATOM 347 CA GLU A 25 -4.244 -12.836 -0.752 1.00 0.00 C ATOM 348 C GLU A 25 -5.014 -12.115 -1.864 1.00 0.00 C ATOM 349 O GLU A 25 -4.750 -12.329 -3.048 1.00 0.00 O ATOM 350 CB GLU A 25 -4.707 -14.291 -0.645 1.00 0.00 C ATOM 351 CG GLU A 25 -3.853 -15.134 0.292 1.00 0.00 C ATOM 352 CD GLU A 25 -2.405 -15.218 -0.154 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.158 -15.640 -1.305 1.00 0.00 O ATOM 354 OE2 GLU A 25 -1.510 -14.879 0.650 1.00 0.00 O ATOM 0 H GLU A 25 -5.100 -12.589 1.143 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.187 -12.810 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.740 -14.310 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.696 -14.741 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.896 -14.711 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.270 -16.139 0.351 1.00 0.00 H new ATOM 361 N ASP A 26 -5.965 -11.264 -1.488 1.00 0.00 N ATOM 362 CA ASP A 26 -6.809 -10.585 -2.474 1.00 0.00 C ATOM 363 C ASP A 26 -6.108 -9.348 -3.018 1.00 0.00 C ATOM 364 O ASP A 26 -6.410 -8.879 -4.117 1.00 0.00 O ATOM 365 CB ASP A 26 -8.151 -10.175 -1.866 1.00 0.00 C ATOM 366 CG ASP A 26 -9.177 -9.840 -2.929 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.696 -10.777 -3.571 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.460 -8.646 -3.137 1.00 0.00 O ATOM 0 H ASP A 26 -6.171 -11.028 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.990 -11.288 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.528 -10.984 -1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.006 -9.311 -1.217 1.00 0.00 H new ATOM 373 N VAL A 27 -5.160 -8.840 -2.244 1.00 0.00 N ATOM 374 CA VAL A 27 -4.426 -7.634 -2.599 1.00 0.00 C ATOM 375 C VAL A 27 -3.633 -7.839 -3.876 1.00 0.00 C ATOM 376 O VAL A 27 -2.896 -8.815 -4.026 1.00 0.00 O ATOM 377 CB VAL A 27 -3.494 -7.172 -1.458 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.616 -5.999 -1.887 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.323 -6.792 -0.245 1.00 0.00 C ATOM 0 H VAL A 27 -4.878 -9.251 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.162 -6.848 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.832 -8.000 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.974 -5.702 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.999 -6.297 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.247 -5.159 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.663 -6.466 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.002 -5.981 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.900 -7.655 0.086 1.00 0.00 H new ATOM 389 N LYS A 28 -3.813 -6.909 -4.792 1.00 0.00 N ATOM 390 CA LYS A 28 -3.232 -6.991 -6.108 1.00 0.00 C ATOM 391 C LYS A 28 -2.880 -5.593 -6.562 1.00 0.00 C ATOM 392 O LYS A 28 -3.440 -4.621 -6.058 1.00 0.00 O ATOM 393 CB LYS A 28 -4.230 -7.604 -7.092 1.00 0.00 C ATOM 394 CG LYS A 28 -4.597 -9.048 -6.803 1.00 0.00 C ATOM 395 CD LYS A 28 -5.794 -9.473 -7.633 1.00 0.00 C ATOM 396 CE LYS A 28 -6.041 -10.967 -7.545 1.00 0.00 C ATOM 397 NZ LYS A 28 -6.517 -11.385 -6.198 1.00 0.00 N ATOM 0 H LYS A 28 -4.372 -6.070 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.342 -7.620 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.140 -7.004 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.813 -7.543 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.748 -9.695 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.823 -9.166 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.680 -8.938 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.632 -9.192 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.779 -11.255 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.120 -11.499 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.903 -12.140 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.488 -10.571 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.493 -11.736 -6.268 1.00 0.00 H new ATOM 411 N LEU A 29 -1.986 -5.484 -7.518 1.00 0.00 N ATOM 412 CA LEU A 29 -1.579 -4.182 -8.018 1.00 0.00 C ATOM 413 C LEU A 29 -2.638 -3.614 -8.955 1.00 0.00 C ATOM 414 O LEU A 29 -2.529 -2.481 -9.421 1.00 0.00 O ATOM 415 CB LEU A 29 -0.221 -4.278 -8.722 1.00 0.00 C ATOM 416 CG LEU A 29 1.007 -4.196 -7.804 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.932 -5.215 -6.679 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.283 -4.381 -8.607 1.00 0.00 C ATOM 0 H LEU A 29 -1.525 -6.276 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.476 -3.503 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.181 -5.220 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.156 -3.478 -9.459 1.00 0.00 H new ATOM 0 HG LEU A 29 1.018 -3.205 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.818 -5.128 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.041 -5.030 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.884 -6.219 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.144 -4.320 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.269 -5.356 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.353 -3.599 -9.364 1.00 0.00 H new ATOM 430 N ASP A 30 -3.671 -4.404 -9.211 1.00 0.00 N ATOM 431 CA ASP A 30 -4.730 -4.006 -10.125 1.00 0.00 C ATOM 432 C ASP A 30 -6.022 -3.656 -9.392 1.00 0.00 C ATOM 433 O ASP A 30 -7.022 -3.319 -10.029 1.00 0.00 O ATOM 434 CB ASP A 30 -4.998 -5.118 -11.145 1.00 0.00 C ATOM 435 CG ASP A 30 -5.330 -6.447 -10.491 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.387 -7.207 -10.183 1.00 0.00 O ATOM 437 OD2 ASP A 30 -6.524 -6.739 -10.281 1.00 0.00 O ATOM 0 H ASP A 30 -3.798 -5.327 -8.797 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.388 -3.109 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.823 -4.820 -11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.122 -5.240 -11.782 1.00 0.00 H new ATOM 442 N LYS A 31 -6.027 -3.718 -8.062 1.00 0.00 N ATOM 443 CA LYS A 31 -7.225 -3.359 -7.328 1.00 0.00 C ATOM 444 C LYS A 31 -7.054 -1.974 -6.711 1.00 0.00 C ATOM 445 O LYS A 31 -5.976 -1.621 -6.232 1.00 0.00 O ATOM 446 CB LYS A 31 -7.555 -4.433 -6.288 1.00 0.00 C ATOM 447 CG LYS A 31 -6.915 -4.247 -4.927 1.00 0.00 C ATOM 448 CD LYS A 31 -6.841 -5.552 -4.172 1.00 0.00 C ATOM 449 CE LYS A 31 -8.214 -6.056 -3.742 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.028 -6.613 -4.864 1.00 0.00 N ATOM 0 H LYS A 31 -5.234 -4.006 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.076 -3.310 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.637 -4.468 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.250 -5.402 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.912 -3.837 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.489 -3.522 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.361 -6.304 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.212 -5.423 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.087 -6.825 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.763 -5.237 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.493 -7.490 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.750 -5.920 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.409 -6.817 -5.674 1.00 0.00 H new ATOM 464 N SER A 32 -8.114 -1.187 -6.739 1.00 0.00 N ATOM 465 CA SER A 32 -8.030 0.215 -6.371 1.00 0.00 C ATOM 466 C SER A 32 -8.220 0.410 -4.874 1.00 0.00 C ATOM 467 O SER A 32 -9.097 -0.200 -4.273 1.00 0.00 O ATOM 468 CB SER A 32 -9.080 1.007 -7.146 1.00 0.00 C ATOM 469 OG SER A 32 -8.936 0.801 -8.540 1.00 0.00 O ATOM 0 H SER A 32 -9.046 -1.496 -7.014 1.00 0.00 H new ATOM 0 HA SER A 32 -7.035 0.579 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.078 0.703 -6.830 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.983 2.069 -6.918 1.00 0.00 H new ATOM 0 HG SER A 32 -9.619 1.315 -9.019 1.00 0.00 H new ATOM 475 N PHE A 33 -7.397 1.263 -4.279 1.00 0.00 N ATOM 476 CA PHE A 33 -7.513 1.584 -2.863 1.00 0.00 C ATOM 477 C PHE A 33 -8.885 2.168 -2.568 1.00 0.00 C ATOM 478 O PHE A 33 -9.586 1.725 -1.659 1.00 0.00 O ATOM 479 CB PHE A 33 -6.437 2.591 -2.447 1.00 0.00 C ATOM 480 CG PHE A 33 -5.365 2.018 -1.563 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.686 1.422 -0.354 1.00 0.00 C ATOM 482 CD2 PHE A 33 -4.037 2.083 -1.939 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.699 0.901 0.460 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.045 1.566 -1.128 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.377 0.972 0.072 1.00 0.00 C ATOM 0 H PHE A 33 -6.638 1.747 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.378 0.663 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.972 3.000 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.914 3.422 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.719 1.364 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.771 2.544 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.962 0.438 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.011 1.627 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.604 0.564 0.706 1.00 0.00 H new ATOM 495 N THR A 34 -9.267 3.150 -3.363 1.00 0.00 N ATOM 496 CA THR A 34 -10.528 3.836 -3.176 1.00 0.00 C ATOM 497 C THR A 34 -11.713 2.927 -3.514 1.00 0.00 C ATOM 498 O THR A 34 -12.769 3.006 -2.884 1.00 0.00 O ATOM 499 CB THR A 34 -10.573 5.099 -4.058 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.413 4.729 -5.438 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.466 6.072 -3.664 1.00 0.00 C ATOM 0 H THR A 34 -8.716 3.491 -4.150 1.00 0.00 H new ATOM 0 HA THR A 34 -10.605 4.118 -2.126 1.00 0.00 H new ATOM 0 HB THR A 34 -11.537 5.588 -3.914 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.444 5.533 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.516 6.956 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.594 6.366 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.496 5.590 -3.789 1.00 0.00 H new ATOM 509 N ASP A 35 -11.522 2.061 -4.503 1.00 0.00 N ATOM 510 CA ASP A 35 -12.608 1.218 -5.006 1.00 0.00 C ATOM 511 C ASP A 35 -12.653 -0.126 -4.275 1.00 0.00 C ATOM 512 O ASP A 35 -13.569 -0.392 -3.498 1.00 0.00 O ATOM 513 CB ASP A 35 -12.443 0.994 -6.515 1.00 0.00 C ATOM 514 CG ASP A 35 -13.713 0.507 -7.183 1.00 0.00 C ATOM 515 OD1 ASP A 35 -13.963 -0.713 -7.190 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.464 1.350 -7.716 1.00 0.00 O ATOM 0 H ASP A 35 -10.628 1.922 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.550 1.733 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.127 1.927 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.648 0.267 -6.684 1.00 0.00 H new ATOM 521 N ASP A 36 -11.639 -0.952 -4.515 1.00 0.00 N ATOM 522 CA ASP A 36 -11.569 -2.306 -3.964 1.00 0.00 C ATOM 523 C ASP A 36 -11.262 -2.297 -2.477 1.00 0.00 C ATOM 524 O ASP A 36 -11.961 -2.924 -1.686 1.00 0.00 O ATOM 525 CB ASP A 36 -10.470 -3.116 -4.652 1.00 0.00 C ATOM 526 CG ASP A 36 -10.693 -3.322 -6.130 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.512 -2.355 -6.903 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.982 -4.465 -6.527 1.00 0.00 O ATOM 0 H ASP A 36 -10.840 -0.703 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.547 -2.755 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.515 -2.611 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.393 -4.089 -4.168 1.00 0.00 H new ATOM 533 N LEU A 37 -10.194 -1.593 -2.106 1.00 0.00 N ATOM 534 CA LEU A 37 -9.684 -1.623 -0.736 1.00 0.00 C ATOM 535 C LEU A 37 -10.676 -0.993 0.233 1.00 0.00 C ATOM 536 O LEU A 37 -10.493 -1.088 1.443 1.00 0.00 O ATOM 537 CB LEU A 37 -8.324 -0.903 -0.617 1.00 0.00 C ATOM 538 CG LEU A 37 -7.083 -1.637 -1.168 1.00 0.00 C ATOM 539 CD1 LEU A 37 -6.805 -2.908 -0.398 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.239 -1.958 -2.636 1.00 0.00 C ATOM 0 H LEU A 37 -9.663 -0.993 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.545 -2.672 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.404 0.056 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.148 -0.687 0.437 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.237 -0.961 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.925 -3.399 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.626 -2.667 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.663 -3.575 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.348 -2.475 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.110 -2.598 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.372 -1.034 -3.198 1.00 0.00 H new ATOM 552 N ASP A 38 -11.707 -0.339 -0.315 1.00 0.00 N ATOM 553 CA ASP A 38 -12.778 0.258 0.487 1.00 0.00 C ATOM 554 C ASP A 38 -12.202 1.328 1.411 1.00 0.00 C ATOM 555 O ASP A 38 -12.719 1.580 2.498 1.00 0.00 O ATOM 556 CB ASP A 38 -13.491 -0.836 1.302 1.00 0.00 C ATOM 557 CG ASP A 38 -14.876 -0.431 1.776 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.808 -0.417 0.943 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.054 -0.160 2.981 1.00 0.00 O ATOM 0 H ASP A 38 -11.821 -0.210 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.505 0.728 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.573 -1.737 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.879 -1.090 2.167 1.00 0.00 H new ATOM 564 N VAL A 39 -11.143 1.983 0.954 1.00 0.00 N ATOM 565 CA VAL A 39 -10.395 2.886 1.808 1.00 0.00 C ATOM 566 C VAL A 39 -10.733 4.349 1.507 1.00 0.00 C ATOM 567 O VAL A 39 -11.151 4.689 0.393 1.00 0.00 O ATOM 568 CB VAL A 39 -8.868 2.657 1.650 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.277 3.542 0.560 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.153 2.872 2.971 1.00 0.00 C ATOM 0 H VAL A 39 -10.787 1.905 0.001 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.682 2.671 2.837 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.720 1.621 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.206 3.353 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.758 3.317 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.443 4.589 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.084 2.706 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.322 3.893 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.539 2.172 3.712 1.00 0.00 H new ATOM 580 N ASP A 40 -10.576 5.201 2.514 1.00 0.00 N ATOM 581 CA ASP A 40 -10.655 6.642 2.317 1.00 0.00 C ATOM 582 C ASP A 40 -9.260 7.205 2.108 1.00 0.00 C ATOM 583 O ASP A 40 -8.265 6.502 2.309 1.00 0.00 O ATOM 584 CB ASP A 40 -11.317 7.342 3.507 1.00 0.00 C ATOM 585 CG ASP A 40 -12.826 7.372 3.410 1.00 0.00 C ATOM 586 OD1 ASP A 40 -13.364 8.269 2.724 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.484 6.519 4.033 1.00 0.00 O ATOM 0 H ASP A 40 -10.393 4.917 3.476 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.270 6.826 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.028 6.834 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.942 8.363 3.575 1.00 0.00 H new ATOM 592 N SER A 41 -9.192 8.473 1.731 1.00 0.00 N ATOM 593 CA SER A 41 -7.924 9.123 1.427 1.00 0.00 C ATOM 594 C SER A 41 -6.960 9.054 2.617 1.00 0.00 C ATOM 595 O SER A 41 -5.876 8.472 2.517 1.00 0.00 O ATOM 596 CB SER A 41 -8.173 10.581 1.022 1.00 0.00 C ATOM 597 OG SER A 41 -6.982 11.209 0.587 1.00 0.00 O ATOM 0 H SER A 41 -10.007 9.077 1.627 1.00 0.00 H new ATOM 0 HA SER A 41 -7.458 8.593 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.916 10.617 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.586 11.129 1.868 1.00 0.00 H new ATOM 0 HG SER A 41 -7.174 12.136 0.334 1.00 0.00 H new ATOM 603 N LEU A 42 -7.362 9.617 3.750 1.00 0.00 N ATOM 604 CA LEU A 42 -6.485 9.666 4.911 1.00 0.00 C ATOM 605 C LEU A 42 -6.272 8.265 5.475 1.00 0.00 C ATOM 606 O LEU A 42 -5.167 7.921 5.876 1.00 0.00 O ATOM 607 CB LEU A 42 -7.056 10.606 5.988 1.00 0.00 C ATOM 608 CG LEU A 42 -6.066 11.091 7.066 1.00 0.00 C ATOM 609 CD1 LEU A 42 -5.652 9.962 7.999 1.00 0.00 C ATOM 610 CD2 LEU A 42 -4.834 11.713 6.426 1.00 0.00 C ATOM 0 H LEU A 42 -8.279 10.041 3.888 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.519 10.062 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.476 11.480 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.880 10.095 6.486 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.580 11.848 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.954 10.343 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.534 9.561 8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.171 9.172 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.149 12.048 7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.336 10.973 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.132 12.564 5.814 1.00 0.00 H new ATOM 622 N SER A 43 -7.329 7.461 5.484 1.00 0.00 N ATOM 623 CA SER A 43 -7.275 6.113 6.040 1.00 0.00 C ATOM 624 C SER A 43 -6.067 5.332 5.512 1.00 0.00 C ATOM 625 O SER A 43 -5.255 4.808 6.290 1.00 0.00 O ATOM 626 CB SER A 43 -8.562 5.376 5.686 1.00 0.00 C ATOM 627 OG SER A 43 -9.694 6.165 6.012 1.00 0.00 O ATOM 0 H SER A 43 -8.241 7.722 5.109 1.00 0.00 H new ATOM 0 HA SER A 43 -7.170 6.191 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.571 5.139 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.605 4.429 6.224 1.00 0.00 H new ATOM 0 HG SER A 43 -10.499 5.607 5.990 1.00 0.00 H new ATOM 633 N MET A 44 -5.938 5.270 4.189 1.00 0.00 N ATOM 634 CA MET A 44 -4.850 4.570 3.573 1.00 0.00 C ATOM 635 C MET A 44 -3.528 5.245 3.899 1.00 0.00 C ATOM 636 O MET A 44 -2.561 4.584 4.247 1.00 0.00 O ATOM 637 CB MET A 44 -5.088 4.490 2.072 1.00 0.00 C ATOM 638 CG MET A 44 -5.071 5.819 1.332 1.00 0.00 C ATOM 639 SD MET A 44 -5.310 5.591 -0.440 1.00 0.00 S ATOM 640 CE MET A 44 -5.644 7.264 -0.971 1.00 0.00 C ATOM 0 H MET A 44 -6.586 5.704 3.532 1.00 0.00 H new ATOM 0 HA MET A 44 -4.797 3.555 3.967 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.328 3.842 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.052 4.011 1.900 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.855 6.466 1.726 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.122 6.324 1.510 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.694 7.355 -1.248 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.422 7.955 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.020 7.504 -1.832 1.00 0.00 H new ATOM 650 N VAL A 45 -3.499 6.562 3.842 1.00 0.00 N ATOM 651 CA VAL A 45 -2.289 7.293 4.174 1.00 0.00 C ATOM 652 C VAL A 45 -1.871 7.005 5.620 1.00 0.00 C ATOM 653 O VAL A 45 -0.697 7.041 5.956 1.00 0.00 O ATOM 654 CB VAL A 45 -2.483 8.812 3.962 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.250 9.589 4.392 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.810 9.100 2.506 1.00 0.00 C ATOM 0 H VAL A 45 -4.291 7.145 3.572 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.496 6.956 3.506 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.317 9.138 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.417 10.654 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.056 9.408 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.391 9.263 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.945 10.173 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.993 8.753 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.728 8.581 2.230 1.00 0.00 H new ATOM 666 N GLU A 46 -2.825 6.653 6.460 1.00 0.00 N ATOM 667 CA GLU A 46 -2.546 6.462 7.870 1.00 0.00 C ATOM 668 C GLU A 46 -1.787 5.164 8.116 1.00 0.00 C ATOM 669 O GLU A 46 -0.616 5.184 8.503 1.00 0.00 O ATOM 670 CB GLU A 46 -3.853 6.468 8.661 1.00 0.00 C ATOM 671 CG GLU A 46 -3.688 6.137 10.131 1.00 0.00 C ATOM 672 CD GLU A 46 -5.016 6.010 10.843 1.00 0.00 C ATOM 673 OE1 GLU A 46 -5.653 4.942 10.735 1.00 0.00 O ATOM 674 OE2 GLU A 46 -5.438 6.977 11.514 1.00 0.00 O ATOM 0 H GLU A 46 -3.796 6.494 6.192 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.915 7.284 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.315 7.451 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.540 5.750 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.134 5.204 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.093 6.914 10.612 1.00 0.00 H new ATOM 681 N VAL A 47 -2.418 4.033 7.846 1.00 0.00 N ATOM 682 CA VAL A 47 -1.794 2.770 8.188 1.00 0.00 C ATOM 683 C VAL A 47 -0.854 2.302 7.079 1.00 0.00 C ATOM 684 O VAL A 47 0.087 1.556 7.334 1.00 0.00 O ATOM 685 CB VAL A 47 -2.843 1.685 8.509 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.184 0.450 9.105 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.899 2.232 9.462 1.00 0.00 C ATOM 0 H VAL A 47 -3.335 3.964 7.404 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.203 2.935 9.089 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.327 1.396 7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.945 -0.299 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.465 0.042 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.669 0.721 10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.632 1.454 9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.423 2.550 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.399 3.083 9.001 1.00 0.00 H new ATOM 697 N VAL A 48 -1.073 2.763 5.852 1.00 0.00 N ATOM 698 CA VAL A 48 -0.214 2.349 4.747 1.00 0.00 C ATOM 699 C VAL A 48 1.103 3.139 4.765 1.00 0.00 C ATOM 700 O VAL A 48 2.123 2.677 4.257 1.00 0.00 O ATOM 701 CB VAL A 48 -0.930 2.476 3.379 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.079 1.941 2.236 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.264 1.746 3.420 1.00 0.00 C ATOM 0 H VAL A 48 -1.821 3.409 5.600 1.00 0.00 H new ATOM 0 HA VAL A 48 0.018 1.293 4.884 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.098 3.537 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.621 2.050 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.854 2.502 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.140 0.887 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.760 1.841 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.095 0.692 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.894 2.182 4.196 1.00 0.00 H new ATOM 713 N VAL A 49 1.088 4.317 5.387 1.00 0.00 N ATOM 714 CA VAL A 49 2.327 5.041 5.663 1.00 0.00 C ATOM 715 C VAL A 49 3.036 4.395 6.852 1.00 0.00 C ATOM 716 O VAL A 49 4.268 4.359 6.930 1.00 0.00 O ATOM 717 CB VAL A 49 2.071 6.546 5.917 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.206 7.195 6.695 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.863 7.266 4.591 1.00 0.00 C ATOM 0 H VAL A 49 0.241 4.786 5.706 1.00 0.00 H new ATOM 0 HA VAL A 49 2.968 4.978 4.784 1.00 0.00 H new ATOM 0 HB VAL A 49 1.170 6.631 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.984 8.251 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.314 6.701 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.135 7.099 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.683 8.325 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.753 7.152 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.004 6.837 4.075 1.00 0.00 H new ATOM 729 N ALA A 50 2.258 3.847 7.772 1.00 0.00 N ATOM 730 CA ALA A 50 2.830 3.013 8.815 1.00 0.00 C ATOM 731 C ALA A 50 3.509 1.791 8.188 1.00 0.00 C ATOM 732 O ALA A 50 4.447 1.219 8.749 1.00 0.00 O ATOM 733 CB ALA A 50 1.761 2.595 9.807 1.00 0.00 C ATOM 0 H ALA A 50 1.246 3.962 7.818 1.00 0.00 H new ATOM 0 HA ALA A 50 3.582 3.586 9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.207 1.971 10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.322 3.482 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.985 2.032 9.289 1.00 0.00 H new ATOM 739 N ALA A 51 3.032 1.417 7.001 1.00 0.00 N ATOM 740 CA ALA A 51 3.580 0.292 6.254 1.00 0.00 C ATOM 741 C ALA A 51 4.825 0.681 5.471 1.00 0.00 C ATOM 742 O ALA A 51 5.765 -0.103 5.385 1.00 0.00 O ATOM 743 CB ALA A 51 2.533 -0.267 5.306 1.00 0.00 C ATOM 0 H ALA A 51 2.256 1.886 6.533 1.00 0.00 H new ATOM 0 HA ALA A 51 3.866 -0.471 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.954 -1.107 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.668 -0.605 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.224 0.510 4.606 1.00 0.00 H new ATOM 749 N GLU A 52 4.847 1.886 4.911 1.00 0.00 N ATOM 750 CA GLU A 52 5.965 2.288 4.067 1.00 0.00 C ATOM 751 C GLU A 52 7.249 2.287 4.884 1.00 0.00 C ATOM 752 O GLU A 52 8.233 1.636 4.534 1.00 0.00 O ATOM 753 CB GLU A 52 5.745 3.674 3.428 1.00 0.00 C ATOM 754 CG GLU A 52 5.574 4.808 4.427 1.00 0.00 C ATOM 755 CD GLU A 52 5.844 6.183 3.848 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.968 6.430 3.364 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.940 7.035 3.892 1.00 0.00 O ATOM 0 H GLU A 52 4.117 2.590 5.023 1.00 0.00 H new ATOM 0 HA GLU A 52 6.042 1.566 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.593 3.901 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.861 3.631 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.557 4.783 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.245 4.641 5.270 1.00 0.00 H new ATOM 764 N GLU A 53 7.207 2.959 6.013 1.00 0.00 N ATOM 765 CA GLU A 53 8.400 3.194 6.790 1.00 0.00 C ATOM 766 C GLU A 53 8.918 1.928 7.470 1.00 0.00 C ATOM 767 O GLU A 53 10.107 1.837 7.783 1.00 0.00 O ATOM 768 CB GLU A 53 8.134 4.279 7.813 1.00 0.00 C ATOM 769 CG GLU A 53 7.705 5.599 7.194 1.00 0.00 C ATOM 770 CD GLU A 53 7.883 6.774 8.130 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.962 7.059 8.922 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.952 7.420 8.072 1.00 0.00 O ATOM 0 H GLU A 53 6.356 3.353 6.413 1.00 0.00 H new ATOM 0 HA GLU A 53 9.182 3.519 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.359 3.939 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.035 4.439 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.283 5.773 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.658 5.532 6.898 1.00 0.00 H new ATOM 779 N ARG A 54 8.048 0.942 7.679 1.00 0.00 N ATOM 780 CA ARG A 54 8.471 -0.301 8.330 1.00 0.00 C ATOM 781 C ARG A 54 9.285 -1.163 7.365 1.00 0.00 C ATOM 782 O ARG A 54 10.029 -2.044 7.785 1.00 0.00 O ATOM 783 CB ARG A 54 7.278 -1.091 8.890 1.00 0.00 C ATOM 784 CG ARG A 54 6.396 -1.724 7.834 1.00 0.00 C ATOM 785 CD ARG A 54 5.273 -2.538 8.463 1.00 0.00 C ATOM 786 NE ARG A 54 5.773 -3.641 9.288 1.00 0.00 N ATOM 787 CZ ARG A 54 5.013 -4.340 10.139 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.731 -4.031 10.286 1.00 0.00 N ATOM 789 NH2 ARG A 54 5.538 -5.326 10.855 1.00 0.00 N ATOM 0 H ARG A 54 7.064 0.975 7.414 1.00 0.00 H new ATOM 0 HA ARG A 54 9.104 -0.028 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.653 -1.874 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.670 -0.424 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.972 -0.947 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.998 -2.367 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.653 -1.883 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.634 -2.938 7.676 1.00 0.00 H new ATOM 0 HE ARG A 54 6.759 -3.891 9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.327 -3.262 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.149 -4.562 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.527 -5.556 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.952 -5.854 11.502 1.00 0.00 H new ATOM 803 N PHE A 55 9.149 -0.896 6.070 1.00 0.00 N ATOM 804 CA PHE A 55 9.984 -1.547 5.067 1.00 0.00 C ATOM 805 C PHE A 55 11.134 -0.623 4.695 1.00 0.00 C ATOM 806 O PHE A 55 11.905 -0.897 3.776 1.00 0.00 O ATOM 807 CB PHE A 55 9.166 -1.914 3.826 1.00 0.00 C ATOM 808 CG PHE A 55 8.184 -3.028 4.056 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.584 -4.351 3.972 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.861 -2.752 4.359 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.683 -5.378 4.182 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.956 -3.774 4.570 1.00 0.00 C ATOM 813 CZ PHE A 55 6.366 -5.088 4.482 1.00 0.00 C ATOM 0 H PHE A 55 8.470 -0.235 5.691 1.00 0.00 H new ATOM 0 HA PHE A 55 10.383 -2.472 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.626 -1.031 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.847 -2.202 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.613 -4.583 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.533 -1.726 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.008 -6.406 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.927 -3.544 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.659 -5.888 4.647 1.00 0.00 H new ATOM 823 N ASP A 56 11.220 0.477 5.440 1.00 0.00 N ATOM 824 CA ASP A 56 12.280 1.470 5.302 1.00 0.00 C ATOM 825 C ASP A 56 12.292 2.090 3.910 1.00 0.00 C ATOM 826 O ASP A 56 13.283 2.032 3.181 1.00 0.00 O ATOM 827 CB ASP A 56 13.640 0.873 5.645 1.00 0.00 C ATOM 828 CG ASP A 56 14.667 1.947 5.921 1.00 0.00 C ATOM 829 OD1 ASP A 56 14.295 2.999 6.485 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.853 1.737 5.599 1.00 0.00 O ATOM 0 H ASP A 56 10.543 0.706 6.168 1.00 0.00 H new ATOM 0 HA ASP A 56 12.072 2.268 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.545 0.227 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.981 0.246 4.821 1.00 0.00 H new ATOM 835 N VAL A 57 11.162 2.677 3.556 1.00 0.00 N ATOM 836 CA VAL A 57 11.011 3.407 2.309 1.00 0.00 C ATOM 837 C VAL A 57 10.306 4.721 2.610 1.00 0.00 C ATOM 838 O VAL A 57 9.701 4.861 3.675 1.00 0.00 O ATOM 839 CB VAL A 57 10.177 2.589 1.296 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.759 2.419 1.807 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.170 3.238 -0.079 1.00 0.00 C ATOM 0 H VAL A 57 10.318 2.661 4.129 1.00 0.00 H new ATOM 0 HA VAL A 57 11.992 3.590 1.871 1.00 0.00 H new ATOM 0 HB VAL A 57 10.642 1.608 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.179 1.842 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.777 1.894 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.300 3.399 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.574 2.634 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.740 4.237 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.191 3.309 -0.453 1.00 0.00 H new ATOM 851 N LYS A 58 10.392 5.690 1.714 1.00 0.00 N ATOM 852 CA LYS A 58 9.655 6.917 1.911 1.00 0.00 C ATOM 853 C LYS A 58 8.823 7.259 0.685 1.00 0.00 C ATOM 854 O LYS A 58 9.355 7.542 -0.389 1.00 0.00 O ATOM 855 CB LYS A 58 10.580 8.086 2.251 1.00 0.00 C ATOM 856 CG LYS A 58 9.834 9.243 2.893 1.00 0.00 C ATOM 857 CD LYS A 58 9.265 8.831 4.244 1.00 0.00 C ATOM 858 CE LYS A 58 7.982 9.575 4.579 1.00 0.00 C ATOM 859 NZ LYS A 58 6.866 9.198 3.669 1.00 0.00 N ATOM 0 H LYS A 58 10.953 5.650 0.863 1.00 0.00 H new ATOM 0 HA LYS A 58 8.988 6.752 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.363 7.742 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.072 8.433 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.507 10.091 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.027 9.571 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.071 7.758 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.006 9.020 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.698 9.362 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.157 10.649 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.966 9.236 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.831 9.861 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.020 8.233 3.313 1.00 0.00 H new ATOM 873 N ILE A 59 7.518 7.195 0.860 1.00 0.00 N ATOM 874 CA ILE A 59 6.574 7.677 -0.131 1.00 0.00 C ATOM 875 C ILE A 59 5.754 8.808 0.480 1.00 0.00 C ATOM 876 O ILE A 59 5.077 8.608 1.485 1.00 0.00 O ATOM 877 CB ILE A 59 5.642 6.545 -0.641 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.441 7.128 -1.395 1.00 0.00 C ATOM 879 CG2 ILE A 59 5.180 5.655 0.505 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.538 6.080 -2.013 1.00 0.00 C ATOM 0 H ILE A 59 7.080 6.806 1.695 1.00 0.00 H new ATOM 0 HA ILE A 59 7.131 8.042 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 59 6.214 5.928 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.855 7.739 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.804 7.790 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.529 4.871 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.047 5.202 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.633 6.254 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.712 6.570 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.108 5.483 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.144 5.432 -1.230 1.00 0.00 H new ATOM 892 N PRO A 60 5.856 10.026 -0.076 1.00 0.00 N ATOM 893 CA PRO A 60 5.125 11.186 0.435 1.00 0.00 C ATOM 894 C PRO A 60 3.644 10.887 0.607 1.00 0.00 C ATOM 895 O PRO A 60 3.037 10.218 -0.235 1.00 0.00 O ATOM 896 CB PRO A 60 5.342 12.248 -0.646 1.00 0.00 C ATOM 897 CG PRO A 60 6.633 11.870 -1.282 1.00 0.00 C ATOM 898 CD PRO A 60 6.684 10.366 -1.246 1.00 0.00 C ATOM 0 HA PRO A 60 5.473 11.495 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.528 12.250 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.389 13.249 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.687 12.239 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.476 12.303 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.286 9.928 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.705 10.001 -1.136 1.00 0.00 H new ATOM 906 N ASP A 61 3.065 11.365 1.701 1.00 0.00 N ATOM 907 CA ASP A 61 1.654 11.128 1.977 1.00 0.00 C ATOM 908 C ASP A 61 0.791 11.668 0.846 1.00 0.00 C ATOM 909 O ASP A 61 -0.273 11.121 0.555 1.00 0.00 O ATOM 910 CB ASP A 61 1.237 11.752 3.313 1.00 0.00 C ATOM 911 CG ASP A 61 1.359 13.259 3.336 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.458 13.759 3.650 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.358 13.952 3.052 1.00 0.00 O ATOM 0 H ASP A 61 3.549 11.917 2.409 1.00 0.00 H new ATOM 0 HA ASP A 61 1.504 10.051 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.205 11.475 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.852 11.333 4.109 1.00 0.00 H new ATOM 918 N ASP A 62 1.280 12.716 0.185 1.00 0.00 N ATOM 919 CA ASP A 62 0.581 13.314 -0.949 1.00 0.00 C ATOM 920 C ASP A 62 0.553 12.359 -2.141 1.00 0.00 C ATOM 921 O ASP A 62 -0.333 12.436 -2.986 1.00 0.00 O ATOM 922 CB ASP A 62 1.235 14.640 -1.349 1.00 0.00 C ATOM 923 CG ASP A 62 0.575 15.273 -2.561 1.00 0.00 C ATOM 924 OD1 ASP A 62 -0.602 15.689 -2.459 1.00 0.00 O ATOM 925 OD2 ASP A 62 1.228 15.352 -3.621 1.00 0.00 O ATOM 0 H ASP A 62 2.163 13.170 0.418 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.447 13.510 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.186 15.333 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.291 14.471 -1.561 1.00 0.00 H new ATOM 930 N ASP A 63 1.517 11.453 -2.208 1.00 0.00 N ATOM 931 CA ASP A 63 1.525 10.446 -3.257 1.00 0.00 C ATOM 932 C ASP A 63 0.563 9.319 -2.910 1.00 0.00 C ATOM 933 O ASP A 63 -0.134 8.804 -3.778 1.00 0.00 O ATOM 934 CB ASP A 63 2.933 9.891 -3.484 1.00 0.00 C ATOM 935 CG ASP A 63 3.830 10.862 -4.226 1.00 0.00 C ATOM 936 OD1 ASP A 63 4.281 11.849 -3.615 1.00 0.00 O ATOM 937 OD2 ASP A 63 4.089 10.647 -5.431 1.00 0.00 O ATOM 0 H ASP A 63 2.298 11.395 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 63 1.199 10.920 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.384 9.649 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.866 8.961 -4.048 1.00 0.00 H new ATOM 942 N VAL A 64 0.505 8.962 -1.625 1.00 0.00 N ATOM 943 CA VAL A 64 -0.376 7.886 -1.168 1.00 0.00 C ATOM 944 C VAL A 64 -1.848 8.244 -1.400 1.00 0.00 C ATOM 945 O VAL A 64 -2.581 7.489 -2.028 1.00 0.00 O ATOM 946 CB VAL A 64 -0.154 7.540 0.325 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.029 6.365 0.739 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.312 7.225 0.602 1.00 0.00 C ATOM 0 H VAL A 64 1.055 9.400 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.122 7.006 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.435 8.412 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.858 6.137 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.078 6.621 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.778 5.494 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.440 6.986 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.622 6.373 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.924 8.091 0.350 1.00 0.00 H new ATOM 958 N LYS A 65 -2.272 9.399 -0.897 1.00 0.00 N ATOM 959 CA LYS A 65 -3.637 9.888 -1.121 1.00 0.00 C ATOM 960 C LYS A 65 -3.924 10.163 -2.608 1.00 0.00 C ATOM 961 O LYS A 65 -5.070 10.413 -2.986 1.00 0.00 O ATOM 962 CB LYS A 65 -3.903 11.150 -0.275 1.00 0.00 C ATOM 963 CG LYS A 65 -2.855 12.249 -0.423 1.00 0.00 C ATOM 964 CD LYS A 65 -2.944 12.952 -1.767 1.00 0.00 C ATOM 965 CE LYS A 65 -3.673 14.281 -1.664 1.00 0.00 C ATOM 966 NZ LYS A 65 -2.824 15.324 -1.021 1.00 0.00 N ATOM 0 H LYS A 65 -1.692 10.018 -0.330 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.318 9.097 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.877 11.556 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.962 10.862 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.982 12.979 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.861 11.818 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.940 13.118 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.460 12.309 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.967 14.613 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.589 14.151 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.425 16.106 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.319 14.910 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.135 15.685 -1.711 1.00 0.00 H new ATOM 980 N ASN A 66 -2.885 10.128 -3.437 1.00 0.00 N ATOM 981 CA ASN A 66 -3.028 10.408 -4.864 1.00 0.00 C ATOM 982 C ASN A 66 -3.312 9.128 -5.640 1.00 0.00 C ATOM 983 O ASN A 66 -4.148 9.111 -6.547 1.00 0.00 O ATOM 984 CB ASN A 66 -1.760 11.075 -5.409 1.00 0.00 C ATOM 985 CG ASN A 66 -1.810 11.303 -6.912 1.00 0.00 C ATOM 986 OD1 ASN A 66 -1.412 10.441 -7.697 1.00 0.00 O ATOM 987 ND2 ASN A 66 -2.284 12.469 -7.321 1.00 0.00 N ATOM 0 H ASN A 66 -1.933 9.908 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.870 11.088 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.614 12.031 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.897 10.454 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.329 12.680 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.604 13.157 -6.639 1.00 0.00 H new ATOM 994 N LEU A 67 -2.616 8.060 -5.273 1.00 0.00 N ATOM 995 CA LEU A 67 -2.747 6.788 -5.966 1.00 0.00 C ATOM 996 C LEU A 67 -4.123 6.185 -5.741 1.00 0.00 C ATOM 997 O LEU A 67 -4.659 6.205 -4.635 1.00 0.00 O ATOM 998 CB LEU A 67 -1.633 5.823 -5.542 1.00 0.00 C ATOM 999 CG LEU A 67 -1.437 5.633 -4.039 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -2.000 4.292 -3.581 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.040 5.727 -3.699 1.00 0.00 C ATOM 0 H LEU A 67 -1.954 8.051 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.641 6.968 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.837 4.849 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.694 6.177 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.978 6.422 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.848 4.181 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.066 4.250 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.489 3.485 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.176 5.591 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.587 4.951 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.419 6.706 -3.991 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.696 5.660 -6.813 1.00 0.00 N ATOM 1014 CA LYS A 68 -6.063 5.184 -6.779 1.00 0.00 C ATOM 1015 C LYS A 68 -6.117 3.687 -6.531 1.00 0.00 C ATOM 1016 O LYS A 68 -7.139 3.170 -6.093 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.780 5.542 -8.085 1.00 0.00 C ATOM 1018 CG LYS A 68 -6.834 7.041 -8.343 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.578 7.767 -7.234 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.450 9.278 -7.363 1.00 0.00 C ATOM 1021 NZ LYS A 68 -7.958 9.782 -8.668 1.00 0.00 N ATOM 0 H LYS A 68 -4.233 5.554 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.575 5.676 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.273 5.054 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.796 5.147 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.821 7.435 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.325 7.230 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.631 7.488 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.188 7.450 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.000 9.757 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.404 9.562 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.944 10.822 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.353 9.427 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.933 9.449 -8.813 1.00 0.00 H new ATOM 1035 N THR A 69 -5.020 2.991 -6.802 1.00 0.00 N ATOM 1036 CA THR A 69 -4.962 1.558 -6.571 1.00 0.00 C ATOM 1037 C THR A 69 -3.858 1.241 -5.579 1.00 0.00 C ATOM 1038 O THR A 69 -2.899 1.999 -5.461 1.00 0.00 O ATOM 1039 CB THR A 69 -4.710 0.762 -7.872 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.338 0.871 -8.266 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.595 1.263 -9.001 1.00 0.00 C ATOM 0 H THR A 69 -4.163 3.396 -7.180 1.00 0.00 H new ATOM 0 HA THR A 69 -5.932 1.258 -6.175 1.00 0.00 H new ATOM 0 HB THR A 69 -4.951 -0.282 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.203 1.711 -8.753 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.396 0.685 -9.903 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.642 1.149 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.383 2.315 -9.190 1.00 0.00 H new ATOM 1049 N VAL A 70 -3.985 0.125 -4.874 1.00 0.00 N ATOM 1050 CA VAL A 70 -2.950 -0.286 -3.937 1.00 0.00 C ATOM 1051 C VAL A 70 -1.655 -0.571 -4.684 1.00 0.00 C ATOM 1052 O VAL A 70 -0.559 -0.331 -4.169 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.382 -1.516 -3.099 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.095 -2.532 -3.959 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.190 -2.166 -2.407 1.00 0.00 C ATOM 0 H VAL A 70 -4.785 -0.505 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.787 0.535 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.070 -1.159 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.388 -3.385 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.984 -2.078 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.429 -2.867 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.529 -3.025 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.469 -2.495 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.718 -1.444 -1.741 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.789 -1.031 -5.920 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.631 -1.362 -6.710 1.00 0.00 C ATOM 1067 C GLY A 71 0.239 -0.155 -6.999 1.00 0.00 C ATOM 1068 O GLY A 71 1.464 -0.276 -7.076 1.00 0.00 O ATOM 0 H GLY A 71 -2.684 -1.180 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.041 -2.114 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.953 -1.808 -7.651 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.397 1.007 -7.156 1.00 0.00 N ATOM 1073 CA ASP A 72 0.328 2.256 -7.378 1.00 0.00 C ATOM 1074 C ASP A 72 1.289 2.514 -6.232 1.00 0.00 C ATOM 1075 O ASP A 72 2.480 2.735 -6.449 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.623 3.449 -7.508 1.00 0.00 C ATOM 1077 CG ASP A 72 -1.486 3.401 -8.747 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.927 3.431 -9.864 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -2.725 3.351 -8.607 1.00 0.00 O ATOM 0 H ASP A 72 -1.412 1.108 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 72 0.878 2.149 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.266 3.488 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.039 4.369 -7.517 1.00 0.00 H new ATOM 1084 N ALA A 73 0.762 2.476 -5.010 1.00 0.00 N ATOM 1085 CA ALA A 73 1.579 2.661 -3.815 1.00 0.00 C ATOM 1086 C ALA A 73 2.684 1.646 -3.764 1.00 0.00 C ATOM 1087 O ALA A 73 3.852 1.986 -3.605 1.00 0.00 O ATOM 1088 CB ALA A 73 0.750 2.502 -2.561 1.00 0.00 C ATOM 0 H ALA A 73 -0.228 2.319 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 73 1.992 3.669 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.383 2.645 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.048 3.244 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.316 1.502 -2.536 1.00 0.00 H new ATOM 1094 N THR A 74 2.288 0.397 -3.901 1.00 0.00 N ATOM 1095 CA THR A 74 3.191 -0.710 -3.746 1.00 0.00 C ATOM 1096 C THR A 74 4.370 -0.591 -4.702 1.00 0.00 C ATOM 1097 O THR A 74 5.516 -0.605 -4.273 1.00 0.00 O ATOM 1098 CB THR A 74 2.463 -2.046 -3.960 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.211 -2.040 -3.259 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.301 -3.178 -3.430 1.00 0.00 C ATOM 0 H THR A 74 1.330 0.127 -4.123 1.00 0.00 H new ATOM 0 HA THR A 74 3.573 -0.686 -2.726 1.00 0.00 H new ATOM 0 HB THR A 74 2.291 -2.178 -5.028 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.514 -1.665 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.778 -4.122 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.256 -3.201 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.477 -3.032 -2.364 1.00 0.00 H new ATOM 1108 N LYS A 75 4.087 -0.417 -5.990 1.00 0.00 N ATOM 1109 CA LYS A 75 5.144 -0.328 -6.988 1.00 0.00 C ATOM 1110 C LYS A 75 5.982 0.939 -6.770 1.00 0.00 C ATOM 1111 O LYS A 75 7.182 0.950 -7.040 1.00 0.00 O ATOM 1112 CB LYS A 75 4.555 -0.353 -8.404 1.00 0.00 C ATOM 1113 CG LYS A 75 5.594 -0.567 -9.498 1.00 0.00 C ATOM 1114 CD LYS A 75 6.152 -1.989 -9.491 1.00 0.00 C ATOM 1115 CE LYS A 75 5.146 -3.000 -10.031 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.838 -2.783 -11.472 1.00 0.00 N ATOM 0 H LYS A 75 3.141 -0.336 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 75 5.796 -1.194 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.810 -1.146 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.035 0.587 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.145 -0.359 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.410 0.143 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.060 -2.025 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.432 -2.264 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.539 -4.007 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.225 -2.936 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.377 -3.631 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.202 -1.966 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.720 -2.600 -11.992 1.00 0.00 H new ATOM 1130 N TYR A 76 5.348 1.996 -6.261 1.00 0.00 N ATOM 1131 CA TYR A 76 6.052 3.236 -5.939 1.00 0.00 C ATOM 1132 C TYR A 76 7.017 2.992 -4.777 1.00 0.00 C ATOM 1133 O TYR A 76 8.165 3.445 -4.792 1.00 0.00 O ATOM 1134 CB TYR A 76 5.037 4.329 -5.583 1.00 0.00 C ATOM 1135 CG TYR A 76 5.621 5.723 -5.475 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.206 6.168 -4.297 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.561 6.602 -6.550 1.00 0.00 C ATOM 1138 CE1 TYR A 76 6.723 7.448 -4.194 1.00 0.00 C ATOM 1139 CE2 TYR A 76 6.077 7.882 -6.457 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.654 8.301 -5.275 1.00 0.00 C ATOM 1141 OH TYR A 76 7.165 9.575 -5.173 1.00 0.00 O ATOM 0 H TYR A 76 4.348 2.017 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 76 6.627 3.567 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.251 4.336 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.565 4.073 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.259 5.504 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.104 6.280 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.178 7.777 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.029 8.550 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 76 7.038 10.047 -6.022 1.00 0.00 H new ATOM 1151 N ILE A 77 6.532 2.258 -3.779 1.00 0.00 N ATOM 1152 CA ILE A 77 7.351 1.822 -2.657 1.00 0.00 C ATOM 1153 C ILE A 77 8.507 0.964 -3.151 1.00 0.00 C ATOM 1154 O ILE A 77 9.655 1.167 -2.771 1.00 0.00 O ATOM 1155 CB ILE A 77 6.513 1.014 -1.641 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.595 1.947 -0.844 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.410 0.213 -0.705 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.691 1.227 0.134 1.00 0.00 C ATOM 0 H ILE A 77 5.561 1.950 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 77 7.741 2.712 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 77 5.894 0.309 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.208 2.664 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.980 2.518 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.794 -0.346 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.016 -0.481 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.063 0.892 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.072 1.954 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.052 0.530 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.298 0.678 0.854 1.00 0.00 H new ATOM 1170 N LEU A 78 8.178 0.027 -4.025 1.00 0.00 N ATOM 1171 CA LEU A 78 9.135 -0.943 -4.536 1.00 0.00 C ATOM 1172 C LEU A 78 10.267 -0.279 -5.309 1.00 0.00 C ATOM 1173 O LEU A 78 11.375 -0.806 -5.376 1.00 0.00 O ATOM 1174 CB LEU A 78 8.408 -1.940 -5.431 1.00 0.00 C ATOM 1175 CG LEU A 78 7.315 -2.743 -4.726 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.609 -3.656 -5.716 1.00 0.00 C ATOM 1177 CD2 LEU A 78 7.923 -3.551 -3.592 1.00 0.00 C ATOM 0 H LEU A 78 7.237 -0.083 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 78 9.583 -1.456 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.963 -1.401 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.138 -2.633 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 78 6.578 -2.056 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.833 -4.222 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.156 -3.056 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.331 -4.346 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.141 -4.122 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.671 -4.235 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.394 -2.877 -2.877 1.00 0.00 H new ATOM 1189 N ASP A 79 9.982 0.872 -5.897 1.00 0.00 N ATOM 1190 CA ASP A 79 10.976 1.587 -6.686 1.00 0.00 C ATOM 1191 C ASP A 79 11.964 2.321 -5.788 1.00 0.00 C ATOM 1192 O ASP A 79 13.166 2.347 -6.053 1.00 0.00 O ATOM 1193 CB ASP A 79 10.302 2.588 -7.626 1.00 0.00 C ATOM 1194 CG ASP A 79 11.312 3.396 -8.418 1.00 0.00 C ATOM 1195 OD1 ASP A 79 11.843 2.872 -9.413 1.00 0.00 O ATOM 1196 OD2 ASP A 79 11.576 4.559 -8.049 1.00 0.00 O ATOM 0 H ASP A 79 9.073 1.331 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 79 11.519 0.849 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.646 2.054 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.673 3.263 -7.045 1.00 0.00 H new ATOM 1201 N HIS A 80 11.454 2.903 -4.712 1.00 0.00 N ATOM 1202 CA HIS A 80 12.272 3.736 -3.834 1.00 0.00 C ATOM 1203 C HIS A 80 12.597 3.014 -2.532 1.00 0.00 C ATOM 1204 O HIS A 80 12.933 3.652 -1.534 1.00 0.00 O ATOM 1205 CB HIS A 80 11.549 5.053 -3.519 1.00 0.00 C ATOM 1206 CG HIS A 80 11.356 5.954 -4.699 1.00 0.00 C ATOM 1207 ND1 HIS A 80 12.148 7.057 -4.944 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.435 5.933 -5.691 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.722 7.670 -6.031 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.686 7.011 -6.503 1.00 0.00 N ATOM 0 H HIS A 80 10.479 2.816 -4.424 1.00 0.00 H new ATOM 0 HA HIS A 80 13.205 3.948 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.574 4.824 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.114 5.590 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.649 5.204 -5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.151 8.563 -6.461 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.155 7.261 -7.337 1.00 0.00 H new ATOM 1219 N GLN A 81 12.516 1.689 -2.551 1.00 0.00 N ATOM 1220 CA GLN A 81 12.637 0.899 -1.329 1.00 0.00 C ATOM 1221 C GLN A 81 14.093 0.716 -0.911 1.00 0.00 C ATOM 1222 O GLN A 81 15.019 1.142 -1.607 1.00 0.00 O ATOM 1223 CB GLN A 81 11.982 -0.471 -1.510 1.00 0.00 C ATOM 1224 CG GLN A 81 12.730 -1.394 -2.461 1.00 0.00 C ATOM 1225 CD GLN A 81 12.033 -2.727 -2.644 1.00 0.00 C ATOM 1226 OE1 GLN A 81 12.161 -3.370 -3.685 1.00 0.00 O ATOM 1227 NE2 GLN A 81 11.291 -3.154 -1.634 1.00 0.00 N ATOM 0 H GLN A 81 12.367 1.139 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 81 12.124 1.449 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.903 -0.956 -0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.966 -0.331 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.833 -0.906 -3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.737 -1.564 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.210 -2.591 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.800 -4.046 -1.703 1.00 0.00 H new