USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 1 MET CE :methyl -165:sc= -0.0506 (180deg=-0.368) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.038) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 17 ASN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -2.08 (180deg=-3.89!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 72:sc= 0.439 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -170:sc= -0.414 USER MOD Single : A 44 MET CE :methyl -148:sc= -2.36 (180deg=-4.26!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0384 (180deg=-0.265) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.664 USER MOD Single : A 74 THR OG1 : rot 100:sc= 1.31 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.108 (180deg=-0.503) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.039 -5.721 -2.732 1.00 0.00 N ATOM 2 CA MET A 1 -16.904 -6.613 -2.414 1.00 0.00 C ATOM 3 C MET A 1 -15.721 -5.807 -1.906 1.00 0.00 C ATOM 4 O MET A 1 -15.060 -5.108 -2.673 1.00 0.00 O ATOM 5 CB MET A 1 -16.482 -7.413 -3.650 1.00 0.00 C ATOM 6 CG MET A 1 -17.546 -8.371 -4.159 1.00 0.00 C ATOM 7 SD MET A 1 -16.969 -9.403 -5.523 1.00 0.00 S ATOM 8 CE MET A 1 -16.640 -8.167 -6.779 1.00 0.00 C ATOM 0 H1 MET A 1 -18.861 -6.292 -3.013 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.281 -5.155 -1.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.774 -5.087 -3.513 1.00 0.00 H new ATOM 0 HA MET A 1 -17.228 -7.305 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.221 -6.718 -4.448 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.581 -7.979 -3.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.873 -9.011 -3.340 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.416 -7.800 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.536 -8.653 -7.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.466 -7.457 -6.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.718 -7.639 -6.537 1.00 0.00 H new ATOM 20 N ALA A 2 -15.456 -5.903 -0.617 1.00 0.00 N ATOM 21 CA ALA A 2 -14.328 -5.208 -0.029 1.00 0.00 C ATOM 22 C ALA A 2 -13.178 -6.174 0.195 1.00 0.00 C ATOM 23 O ALA A 2 -13.355 -7.236 0.793 1.00 0.00 O ATOM 24 CB ALA A 2 -14.725 -4.542 1.280 1.00 0.00 C ATOM 0 H ALA A 2 -16.006 -6.455 0.042 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.005 -4.430 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.862 -4.027 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.523 -3.822 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.075 -5.299 1.982 1.00 0.00 H new ATOM 30 N ALA A 3 -12.005 -5.809 -0.297 1.00 0.00 N ATOM 31 CA ALA A 3 -10.825 -6.633 -0.126 1.00 0.00 C ATOM 32 C ALA A 3 -10.255 -6.417 1.258 1.00 0.00 C ATOM 33 O ALA A 3 -9.870 -5.303 1.615 1.00 0.00 O ATOM 34 CB ALA A 3 -9.780 -6.331 -1.192 1.00 0.00 C ATOM 0 H ALA A 3 -11.847 -4.946 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.111 -7.679 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.907 -6.965 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.200 -6.527 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.484 -5.284 -1.125 1.00 0.00 H new ATOM 40 N THR A 4 -10.227 -7.471 2.047 1.00 0.00 N ATOM 41 CA THR A 4 -9.771 -7.364 3.411 1.00 0.00 C ATOM 42 C THR A 4 -8.244 -7.392 3.470 1.00 0.00 C ATOM 43 O THR A 4 -7.588 -7.419 2.427 1.00 0.00 O ATOM 44 CB THR A 4 -10.384 -8.482 4.267 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.630 -8.891 3.682 1.00 0.00 O ATOM 46 CG2 THR A 4 -10.644 -7.981 5.675 1.00 0.00 C ATOM 0 H THR A 4 -10.515 -8.408 1.765 1.00 0.00 H new ATOM 0 HA THR A 4 -10.101 -6.408 3.818 1.00 0.00 H new ATOM 0 HB THR A 4 -9.690 -9.321 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.026 -9.606 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.079 -8.783 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.705 -7.661 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.336 -7.139 5.640 1.00 0.00 H new ATOM 54 N GLN A 5 -7.696 -7.395 4.683 1.00 0.00 N ATOM 55 CA GLN A 5 -6.267 -7.191 4.912 1.00 0.00 C ATOM 56 C GLN A 5 -5.385 -8.034 3.994 1.00 0.00 C ATOM 57 O GLN A 5 -4.552 -7.502 3.272 1.00 0.00 O ATOM 58 CB GLN A 5 -5.925 -7.504 6.365 1.00 0.00 C ATOM 59 CG GLN A 5 -4.539 -7.039 6.766 1.00 0.00 C ATOM 60 CD GLN A 5 -4.076 -7.653 8.067 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.338 -7.129 9.147 1.00 0.00 O ATOM 62 NE2 GLN A 5 -3.367 -8.764 7.967 1.00 0.00 N ATOM 0 H GLN A 5 -8.233 -7.540 5.538 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.062 -6.145 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.662 -7.032 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.001 -8.579 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.832 -7.293 5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.537 -5.953 6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.173 -9.164 7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.014 -9.221 8.808 1.00 0.00 H new ATOM 71 N GLU A 6 -5.591 -9.338 4.003 1.00 0.00 N ATOM 72 CA GLU A 6 -4.735 -10.255 3.257 1.00 0.00 C ATOM 73 C GLU A 6 -4.967 -10.139 1.752 1.00 0.00 C ATOM 74 O GLU A 6 -4.027 -10.231 0.961 1.00 0.00 O ATOM 75 CB GLU A 6 -4.952 -11.706 3.714 1.00 0.00 C ATOM 76 CG GLU A 6 -6.409 -12.151 3.736 1.00 0.00 C ATOM 77 CD GLU A 6 -7.175 -11.621 4.933 1.00 0.00 C ATOM 78 OE1 GLU A 6 -7.116 -12.254 6.004 1.00 0.00 O ATOM 79 OE2 GLU A 6 -7.821 -10.561 4.807 1.00 0.00 O ATOM 0 H GLU A 6 -6.345 -9.792 4.519 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.703 -9.973 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.393 -12.369 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.534 -11.825 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.899 -11.816 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.450 -13.240 3.739 1.00 0.00 H new ATOM 86 N GLU A 7 -6.213 -9.917 1.364 1.00 0.00 N ATOM 87 CA GLU A 7 -6.573 -9.838 -0.046 1.00 0.00 C ATOM 88 C GLU A 7 -6.020 -8.556 -0.658 1.00 0.00 C ATOM 89 O GLU A 7 -5.391 -8.572 -1.717 1.00 0.00 O ATOM 90 CB GLU A 7 -8.091 -9.883 -0.197 1.00 0.00 C ATOM 91 CG GLU A 7 -8.566 -10.019 -1.635 1.00 0.00 C ATOM 92 CD GLU A 7 -8.032 -11.268 -2.313 1.00 0.00 C ATOM 93 OE1 GLU A 7 -8.334 -12.383 -1.837 1.00 0.00 O ATOM 94 OE2 GLU A 7 -7.316 -11.140 -3.325 1.00 0.00 O ATOM 0 H GLU A 7 -6.995 -9.788 2.006 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.140 -10.689 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.479 -10.720 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.515 -8.975 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.656 -10.039 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.253 -9.141 -2.201 1.00 0.00 H new ATOM 101 N ILE A 8 -6.233 -7.445 0.034 1.00 0.00 N ATOM 102 CA ILE A 8 -5.750 -6.158 -0.433 1.00 0.00 C ATOM 103 C ILE A 8 -4.220 -6.138 -0.379 1.00 0.00 C ATOM 104 O ILE A 8 -3.569 -5.516 -1.211 1.00 0.00 O ATOM 105 CB ILE A 8 -6.370 -5.003 0.406 1.00 0.00 C ATOM 106 CG1 ILE A 8 -6.256 -3.640 -0.306 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.736 -4.936 1.786 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.906 -2.966 -0.180 1.00 0.00 C ATOM 0 H ILE A 8 -6.737 -7.412 0.920 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.060 -6.006 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.431 -5.225 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.479 -3.779 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.018 -2.972 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.185 -4.121 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.902 -5.878 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.665 -4.761 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.923 -2.015 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.685 -2.789 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.137 -3.608 -0.609 1.00 0.00 H new ATOM 120 N VAL A 9 -3.658 -6.870 0.582 1.00 0.00 N ATOM 121 CA VAL A 9 -2.210 -7.008 0.711 1.00 0.00 C ATOM 122 C VAL A 9 -1.617 -7.684 -0.521 1.00 0.00 C ATOM 123 O VAL A 9 -0.565 -7.276 -1.001 1.00 0.00 O ATOM 124 CB VAL A 9 -1.832 -7.782 2.005 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.630 -8.697 1.807 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.538 -6.805 3.128 1.00 0.00 C ATOM 0 H VAL A 9 -4.190 -7.380 1.287 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.785 -6.007 0.786 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.687 -8.408 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.408 -9.214 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.854 -9.429 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.234 -8.103 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.274 -7.357 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.707 -6.160 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.421 -6.195 3.320 1.00 0.00 H new ATOM 136 N ALA A 10 -2.307 -8.689 -1.049 1.00 0.00 N ATOM 137 CA ALA A 10 -1.861 -9.361 -2.265 1.00 0.00 C ATOM 138 C ALA A 10 -1.873 -8.392 -3.443 1.00 0.00 C ATOM 139 O ALA A 10 -0.954 -8.387 -4.264 1.00 0.00 O ATOM 140 CB ALA A 10 -2.728 -10.573 -2.569 1.00 0.00 C ATOM 0 H ALA A 10 -3.174 -9.056 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.840 -9.706 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.373 -11.055 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.671 -11.278 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.762 -10.256 -2.705 1.00 0.00 H new ATOM 146 N GLY A 11 -2.915 -7.565 -3.514 1.00 0.00 N ATOM 147 CA GLY A 11 -2.995 -6.559 -4.560 1.00 0.00 C ATOM 148 C GLY A 11 -1.945 -5.477 -4.380 1.00 0.00 C ATOM 149 O GLY A 11 -1.293 -5.062 -5.339 1.00 0.00 O ATOM 0 H GLY A 11 -3.703 -7.574 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.865 -7.034 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.987 -6.108 -4.556 1.00 0.00 H new ATOM 153 N LEU A 12 -1.776 -5.035 -3.138 1.00 0.00 N ATOM 154 CA LEU A 12 -0.772 -4.038 -2.796 1.00 0.00 C ATOM 155 C LEU A 12 0.623 -4.583 -3.115 1.00 0.00 C ATOM 156 O LEU A 12 1.421 -3.921 -3.771 1.00 0.00 O ATOM 157 CB LEU A 12 -0.881 -3.684 -1.303 1.00 0.00 C ATOM 158 CG LEU A 12 -0.781 -2.190 -0.950 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.536 -1.597 -1.422 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.949 -1.410 -1.539 1.00 0.00 C ATOM 0 H LEU A 12 -2.330 -5.357 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.940 -3.135 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.833 -4.061 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.095 -4.216 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.822 -2.109 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.575 -0.540 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.363 -2.122 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.616 -1.703 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.854 -0.357 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.945 -1.513 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.885 -1.801 -1.141 1.00 0.00 H new ATOM 172 N ALA A 13 0.886 -5.810 -2.663 1.00 0.00 N ATOM 173 CA ALA A 13 2.159 -6.494 -2.901 1.00 0.00 C ATOM 174 C ALA A 13 2.519 -6.494 -4.374 1.00 0.00 C ATOM 175 O ALA A 13 3.628 -6.125 -4.763 1.00 0.00 O ATOM 176 CB ALA A 13 2.077 -7.933 -2.405 1.00 0.00 C ATOM 0 H ALA A 13 0.220 -6.360 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 13 2.933 -5.955 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.028 -8.435 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.861 -7.938 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.283 -8.457 -2.938 1.00 0.00 H new ATOM 182 N GLU A 14 1.559 -6.903 -5.182 1.00 0.00 N ATOM 183 CA GLU A 14 1.746 -7.015 -6.616 1.00 0.00 C ATOM 184 C GLU A 14 2.064 -5.653 -7.229 1.00 0.00 C ATOM 185 O GLU A 14 2.793 -5.559 -8.217 1.00 0.00 O ATOM 186 CB GLU A 14 0.479 -7.600 -7.236 1.00 0.00 C ATOM 187 CG GLU A 14 0.637 -8.038 -8.679 1.00 0.00 C ATOM 188 CD GLU A 14 -0.559 -8.823 -9.170 1.00 0.00 C ATOM 189 OE1 GLU A 14 -0.682 -10.008 -8.796 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.384 -8.266 -9.916 1.00 0.00 O ATOM 0 H GLU A 14 0.627 -7.167 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 14 2.590 -7.674 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.159 -8.456 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.316 -6.857 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.778 -7.161 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.535 -8.648 -8.776 1.00 0.00 H new ATOM 197 N ILE A 15 1.532 -4.600 -6.620 1.00 0.00 N ATOM 198 CA ILE A 15 1.712 -3.252 -7.134 1.00 0.00 C ATOM 199 C ILE A 15 3.005 -2.608 -6.619 1.00 0.00 C ATOM 200 O ILE A 15 3.654 -1.860 -7.344 1.00 0.00 O ATOM 201 CB ILE A 15 0.472 -2.371 -6.834 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.224 -2.035 -8.156 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.835 -1.102 -6.073 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.498 -1.240 -8.005 1.00 0.00 C ATOM 0 H ILE A 15 0.972 -4.656 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 15 1.811 -3.327 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.204 -2.932 -6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.468 -1.474 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.449 -2.964 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.067 -0.519 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.298 -1.368 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.534 -0.510 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.925 -1.046 -8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.211 -1.806 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.280 -0.293 -7.511 1.00 0.00 H new ATOM 216 N VAL A 16 3.398 -2.904 -5.382 1.00 0.00 N ATOM 217 CA VAL A 16 4.670 -2.396 -4.870 1.00 0.00 C ATOM 218 C VAL A 16 5.818 -3.088 -5.589 1.00 0.00 C ATOM 219 O VAL A 16 6.925 -2.555 -5.697 1.00 0.00 O ATOM 220 CB VAL A 16 4.838 -2.603 -3.350 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.051 -1.835 -2.848 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.594 -2.178 -2.598 1.00 0.00 C ATOM 0 H VAL A 16 2.868 -3.480 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 16 4.677 -1.322 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 16 4.991 -3.666 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.160 -1.988 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.945 -2.193 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.918 -0.772 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.743 -2.336 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.399 -1.122 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.744 -2.770 -2.937 1.00 0.00 H new ATOM 232 N ASN A 17 5.539 -4.282 -6.092 1.00 0.00 N ATOM 233 CA ASN A 17 6.506 -5.031 -6.876 1.00 0.00 C ATOM 234 C ASN A 17 6.787 -4.293 -8.194 1.00 0.00 C ATOM 235 O ASN A 17 7.851 -4.448 -8.790 1.00 0.00 O ATOM 236 CB ASN A 17 5.978 -6.449 -7.136 1.00 0.00 C ATOM 237 CG ASN A 17 7.051 -7.406 -7.621 1.00 0.00 C ATOM 238 OD1 ASN A 17 7.285 -7.544 -8.820 1.00 0.00 O ATOM 239 ND2 ASN A 17 7.704 -8.088 -6.686 1.00 0.00 N ATOM 0 H ASN A 17 4.643 -4.754 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 17 7.442 -5.113 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.539 -6.840 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.180 -6.403 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.429 -8.754 -6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.481 -7.945 -5.701 1.00 0.00 H new ATOM 246 N GLU A 18 5.825 -3.467 -8.621 1.00 0.00 N ATOM 247 CA GLU A 18 5.994 -2.600 -9.794 1.00 0.00 C ATOM 248 C GLU A 18 6.939 -1.447 -9.462 1.00 0.00 C ATOM 249 O GLU A 18 7.531 -0.829 -10.350 1.00 0.00 O ATOM 250 CB GLU A 18 4.642 -2.017 -10.235 1.00 0.00 C ATOM 251 CG GLU A 18 3.600 -3.060 -10.622 1.00 0.00 C ATOM 252 CD GLU A 18 3.521 -3.286 -12.121 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.425 -3.938 -12.680 1.00 0.00 O ATOM 254 OE2 GLU A 18 2.549 -2.813 -12.748 1.00 0.00 O ATOM 0 H GLU A 18 4.915 -3.380 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 18 6.410 -3.202 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.243 -1.406 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.806 -1.354 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.836 -4.003 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.623 -2.745 -10.255 1.00 0.00 H new ATOM 261 N ILE A 19 7.073 -1.162 -8.174 1.00 0.00 N ATOM 262 CA ILE A 19 7.846 -0.018 -7.722 1.00 0.00 C ATOM 263 C ILE A 19 9.287 -0.404 -7.406 1.00 0.00 C ATOM 264 O ILE A 19 10.232 0.215 -7.899 1.00 0.00 O ATOM 265 CB ILE A 19 7.229 0.602 -6.458 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.756 0.941 -6.680 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.007 1.837 -6.060 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.086 1.561 -5.472 1.00 0.00 C ATOM 0 H ILE A 19 6.654 -1.711 -7.423 1.00 0.00 H new ATOM 0 HA ILE A 19 7.833 0.705 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 19 7.285 -0.127 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.673 1.627 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.221 0.032 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.565 2.272 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.043 1.565 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.974 2.565 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.043 1.774 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.136 0.868 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.596 2.488 -5.209 1.00 0.00 H new ATOM 280 N ALA A 20 9.448 -1.419 -6.571 1.00 0.00 N ATOM 281 CA ALA A 20 10.770 -1.833 -6.131 1.00 0.00 C ATOM 282 C ALA A 20 10.983 -3.323 -6.364 1.00 0.00 C ATOM 283 O ALA A 20 11.465 -3.727 -7.423 1.00 0.00 O ATOM 284 CB ALA A 20 10.981 -1.465 -4.671 1.00 0.00 C ATOM 0 H ALA A 20 8.681 -1.970 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 20 11.513 -1.301 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.975 -1.781 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.889 -0.386 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.230 -1.964 -4.058 1.00 0.00 H new ATOM 290 N GLY A 21 10.610 -4.150 -5.390 1.00 0.00 N ATOM 291 CA GLY A 21 10.733 -5.578 -5.586 1.00 0.00 C ATOM 292 C GLY A 21 10.650 -6.407 -4.317 1.00 0.00 C ATOM 293 O GLY A 21 11.455 -7.318 -4.130 1.00 0.00 O ATOM 0 H GLY A 21 10.233 -3.861 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.948 -5.905 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.686 -5.782 -6.074 1.00 0.00 H new ATOM 297 N ILE A 22 9.694 -6.114 -3.444 1.00 0.00 N ATOM 298 CA ILE A 22 9.400 -7.025 -2.344 1.00 0.00 C ATOM 299 C ILE A 22 8.536 -8.161 -2.889 1.00 0.00 C ATOM 300 O ILE A 22 7.515 -7.907 -3.538 1.00 0.00 O ATOM 301 CB ILE A 22 8.654 -6.343 -1.157 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.587 -5.457 -0.317 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.007 -7.387 -0.258 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.745 -6.208 0.305 1.00 0.00 C ATOM 0 H ILE A 22 9.120 -5.272 -3.473 1.00 0.00 H new ATOM 0 HA ILE A 22 10.350 -7.384 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 22 7.885 -5.707 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.980 -4.659 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.007 -4.982 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.492 -6.890 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.290 -7.971 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.775 -8.049 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.359 -5.517 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.362 -6.988 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.350 -6.660 -0.481 1.00 0.00 H new ATOM 316 N PRO A 23 8.954 -9.419 -2.684 1.00 0.00 N ATOM 317 CA PRO A 23 8.166 -10.581 -3.094 1.00 0.00 C ATOM 318 C PRO A 23 6.768 -10.546 -2.484 1.00 0.00 C ATOM 319 O PRO A 23 6.588 -10.055 -1.368 1.00 0.00 O ATOM 320 CB PRO A 23 8.958 -11.779 -2.555 1.00 0.00 C ATOM 321 CG PRO A 23 9.954 -11.211 -1.594 1.00 0.00 C ATOM 322 CD PRO A 23 10.221 -9.808 -2.051 1.00 0.00 C ATOM 0 HA PRO A 23 8.021 -10.619 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.299 -12.492 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.456 -12.314 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.563 -11.222 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.871 -11.800 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.473 -9.153 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.053 -9.764 -2.754 1.00 0.00 H new ATOM 330 N VAL A 24 5.785 -11.085 -3.197 1.00 0.00 N ATOM 331 CA VAL A 24 4.396 -11.018 -2.748 1.00 0.00 C ATOM 332 C VAL A 24 4.208 -11.758 -1.421 1.00 0.00 C ATOM 333 O VAL A 24 3.242 -11.528 -0.699 1.00 0.00 O ATOM 334 CB VAL A 24 3.422 -11.589 -3.801 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.473 -10.765 -5.079 1.00 0.00 C ATOM 336 CG2 VAL A 24 3.727 -13.051 -4.092 1.00 0.00 C ATOM 0 H VAL A 24 5.921 -11.571 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 24 4.165 -9.963 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 24 2.413 -11.531 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.780 -11.183 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.192 -9.735 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.484 -10.786 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.026 -13.428 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.744 -13.142 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.629 -13.632 -3.175 1.00 0.00 H new ATOM 346 N GLU A 25 5.154 -12.638 -1.107 1.00 0.00 N ATOM 347 CA GLU A 25 5.114 -13.418 0.124 1.00 0.00 C ATOM 348 C GLU A 25 5.602 -12.589 1.316 1.00 0.00 C ATOM 349 O GLU A 25 5.320 -12.910 2.472 1.00 0.00 O ATOM 350 CB GLU A 25 6.006 -14.653 -0.022 1.00 0.00 C ATOM 351 CG GLU A 25 5.792 -15.427 -1.314 1.00 0.00 C ATOM 352 CD GLU A 25 4.472 -16.167 -1.350 1.00 0.00 C ATOM 353 OE1 GLU A 25 3.468 -15.591 -1.808 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.444 -17.343 -0.933 1.00 0.00 O ATOM 0 H GLU A 25 5.965 -12.829 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 25 4.081 -13.717 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.049 -14.343 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.826 -15.319 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.838 -14.737 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.606 -16.141 -1.442 1.00 0.00 H new ATOM 361 N ASP A 26 6.336 -11.521 1.023 1.00 0.00 N ATOM 362 CA ASP A 26 7.012 -10.747 2.061 1.00 0.00 C ATOM 363 C ASP A 26 6.217 -9.498 2.438 1.00 0.00 C ATOM 364 O ASP A 26 6.402 -8.941 3.521 1.00 0.00 O ATOM 365 CB ASP A 26 8.414 -10.359 1.578 1.00 0.00 C ATOM 366 CG ASP A 26 9.277 -9.733 2.659 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.054 -10.007 3.855 1.00 0.00 O ATOM 368 OD2 ASP A 26 10.182 -8.944 2.312 1.00 0.00 O ATOM 0 H ASP A 26 6.479 -11.171 0.076 1.00 0.00 H new ATOM 0 HA ASP A 26 7.091 -11.367 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.915 -11.247 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.322 -9.659 0.747 1.00 0.00 H new ATOM 373 N VAL A 27 5.333 -9.052 1.549 1.00 0.00 N ATOM 374 CA VAL A 27 4.511 -7.876 1.823 1.00 0.00 C ATOM 375 C VAL A 27 3.572 -8.133 2.991 1.00 0.00 C ATOM 376 O VAL A 27 2.720 -9.019 2.943 1.00 0.00 O ATOM 377 CB VAL A 27 3.705 -7.430 0.589 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.763 -6.284 0.937 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.647 -7.019 -0.531 1.00 0.00 C ATOM 0 H VAL A 27 5.168 -9.483 0.639 1.00 0.00 H new ATOM 0 HA VAL A 27 5.194 -7.068 2.084 1.00 0.00 H new ATOM 0 HB VAL A 27 3.101 -8.273 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.206 -5.988 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.067 -6.608 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.342 -5.435 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.066 -6.706 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.273 -6.192 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.279 -7.864 -0.804 1.00 0.00 H new ATOM 389 N LYS A 28 3.743 -7.340 4.037 1.00 0.00 N ATOM 390 CA LYS A 28 3.052 -7.546 5.293 1.00 0.00 C ATOM 391 C LYS A 28 2.794 -6.199 5.941 1.00 0.00 C ATOM 392 O LYS A 28 3.307 -5.185 5.481 1.00 0.00 O ATOM 393 CB LYS A 28 3.915 -8.397 6.230 1.00 0.00 C ATOM 394 CG LYS A 28 4.254 -9.775 5.690 1.00 0.00 C ATOM 395 CD LYS A 28 5.298 -10.469 6.547 1.00 0.00 C ATOM 396 CE LYS A 28 4.767 -10.753 7.943 1.00 0.00 C ATOM 397 NZ LYS A 28 5.699 -11.596 8.738 1.00 0.00 N ATOM 0 H LYS A 28 4.368 -6.534 4.035 1.00 0.00 H new ATOM 0 HA LYS A 28 2.109 -8.060 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.842 -7.862 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.394 -8.510 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.351 -10.384 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.622 -9.686 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.598 -11.403 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.189 -9.845 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.598 -9.811 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.802 -11.253 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.296 -11.764 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.841 -12.506 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.613 -11.108 8.833 1.00 0.00 H new ATOM 411 N LEU A 29 2.041 -6.190 7.022 1.00 0.00 N ATOM 412 CA LEU A 29 1.792 -4.957 7.756 1.00 0.00 C ATOM 413 C LEU A 29 2.972 -4.644 8.666 1.00 0.00 C ATOM 414 O LEU A 29 3.017 -3.604 9.318 1.00 0.00 O ATOM 415 CB LEU A 29 0.503 -5.065 8.582 1.00 0.00 C ATOM 416 CG LEU A 29 -0.797 -4.748 7.835 1.00 0.00 C ATOM 417 CD1 LEU A 29 -0.959 -5.624 6.603 1.00 0.00 C ATOM 418 CD2 LEU A 29 -1.986 -4.903 8.769 1.00 0.00 C ATOM 0 H LEU A 29 1.590 -7.017 7.414 1.00 0.00 H new ATOM 0 HA LEU A 29 1.671 -4.147 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.433 -6.077 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.583 -4.391 9.435 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.750 -3.714 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.891 -5.372 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.122 -5.457 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.980 -6.672 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.905 -4.676 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.027 -5.927 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.880 -4.217 9.610 1.00 0.00 H new ATOM 430 N ASP A 30 3.930 -5.556 8.683 1.00 0.00 N ATOM 431 CA ASP A 30 5.057 -5.478 9.597 1.00 0.00 C ATOM 432 C ASP A 30 6.239 -4.763 8.964 1.00 0.00 C ATOM 433 O ASP A 30 7.095 -4.228 9.668 1.00 0.00 O ATOM 434 CB ASP A 30 5.508 -6.890 10.002 1.00 0.00 C ATOM 435 CG ASP A 30 4.361 -7.814 10.367 1.00 0.00 C ATOM 436 OD1 ASP A 30 3.599 -8.204 9.458 1.00 0.00 O ATOM 437 OD2 ASP A 30 4.230 -8.169 11.556 1.00 0.00 O ATOM 0 H ASP A 30 3.948 -6.368 8.066 1.00 0.00 H new ATOM 0 HA ASP A 30 4.726 -4.917 10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.072 -7.332 9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.188 -6.816 10.851 1.00 0.00 H new ATOM 442 N LYS A 31 6.294 -4.743 7.640 1.00 0.00 N ATOM 443 CA LYS A 31 7.486 -4.277 6.969 1.00 0.00 C ATOM 444 C LYS A 31 7.334 -2.813 6.563 1.00 0.00 C ATOM 445 O LYS A 31 6.253 -2.373 6.163 1.00 0.00 O ATOM 446 CB LYS A 31 7.808 -5.193 5.784 1.00 0.00 C ATOM 447 CG LYS A 31 7.180 -4.811 4.457 1.00 0.00 C ATOM 448 CD LYS A 31 7.071 -6.005 3.535 1.00 0.00 C ATOM 449 CE LYS A 31 8.430 -6.494 3.042 1.00 0.00 C ATOM 450 NZ LYS A 31 9.246 -7.167 4.097 1.00 0.00 N ATOM 0 H LYS A 31 5.538 -5.040 7.023 1.00 0.00 H new ATOM 0 HA LYS A 31 8.334 -4.323 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.890 -5.221 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.490 -6.205 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.189 -4.390 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.778 -4.034 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.565 -6.817 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.451 -5.742 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.278 -7.188 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.990 -5.646 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.952 -7.785 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.730 -6.449 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.625 -7.737 4.706 1.00 0.00 H new ATOM 464 N SER A 32 8.412 -2.057 6.687 1.00 0.00 N ATOM 465 CA SER A 32 8.368 -0.621 6.461 1.00 0.00 C ATOM 466 C SER A 32 8.468 -0.304 4.973 1.00 0.00 C ATOM 467 O SER A 32 9.279 -0.886 4.263 1.00 0.00 O ATOM 468 CB SER A 32 9.507 0.062 7.224 1.00 0.00 C ATOM 469 OG SER A 32 9.463 -0.255 8.609 1.00 0.00 O ATOM 0 H SER A 32 9.332 -2.415 6.944 1.00 0.00 H new ATOM 0 HA SER A 32 7.414 -0.242 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.465 -0.250 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.439 1.142 7.093 1.00 0.00 H new ATOM 0 HG SER A 32 10.202 0.193 9.071 1.00 0.00 H new ATOM 475 N PHE A 33 7.639 0.623 4.512 1.00 0.00 N ATOM 476 CA PHE A 33 7.641 1.040 3.116 1.00 0.00 C ATOM 477 C PHE A 33 8.997 1.616 2.745 1.00 0.00 C ATOM 478 O PHE A 33 9.615 1.214 1.763 1.00 0.00 O ATOM 479 CB PHE A 33 6.556 2.089 2.865 1.00 0.00 C ATOM 480 CG PHE A 33 5.507 1.663 1.875 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.864 1.179 0.625 1.00 0.00 C ATOM 482 CD2 PHE A 33 4.165 1.747 2.195 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.899 0.790 -0.284 1.00 0.00 C ATOM 484 CE2 PHE A 33 3.195 1.361 1.290 1.00 0.00 C ATOM 485 CZ PHE A 33 3.561 0.880 0.050 1.00 0.00 C ATOM 0 H PHE A 33 6.951 1.104 5.091 1.00 0.00 H new ATOM 0 HA PHE A 33 7.437 0.165 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.071 2.328 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.027 3.005 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.908 1.105 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.871 2.119 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.190 0.416 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.150 1.436 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.804 0.575 -0.658 1.00 0.00 H new ATOM 495 N THR A 34 9.455 2.542 3.563 1.00 0.00 N ATOM 496 CA THR A 34 10.706 3.228 3.324 1.00 0.00 C ATOM 497 C THR A 34 11.897 2.276 3.412 1.00 0.00 C ATOM 498 O THR A 34 12.832 2.364 2.618 1.00 0.00 O ATOM 499 CB THR A 34 10.870 4.373 4.341 1.00 0.00 C ATOM 500 OG1 THR A 34 10.636 3.876 5.670 1.00 0.00 O ATOM 501 CG2 THR A 34 9.886 5.499 4.042 1.00 0.00 C ATOM 0 H THR A 34 8.971 2.839 4.410 1.00 0.00 H new ATOM 0 HA THR A 34 10.681 3.634 2.313 1.00 0.00 H new ATOM 0 HB THR A 34 11.885 4.762 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.388 3.311 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.016 6.299 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.070 5.887 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.867 5.117 4.101 1.00 0.00 H new ATOM 509 N ASP A 35 11.848 1.361 4.372 1.00 0.00 N ATOM 510 CA ASP A 35 12.977 0.472 4.631 1.00 0.00 C ATOM 511 C ASP A 35 12.863 -0.829 3.849 1.00 0.00 C ATOM 512 O ASP A 35 13.619 -1.064 2.914 1.00 0.00 O ATOM 513 CB ASP A 35 13.097 0.175 6.127 1.00 0.00 C ATOM 514 CG ASP A 35 13.344 1.426 6.940 1.00 0.00 C ATOM 515 OD1 ASP A 35 12.363 2.119 7.283 1.00 0.00 O ATOM 516 OD2 ASP A 35 14.517 1.717 7.246 1.00 0.00 O ATOM 0 H ASP A 35 11.044 1.214 4.982 1.00 0.00 H new ATOM 0 HA ASP A 35 13.877 0.987 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.183 -0.307 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.912 -0.530 6.291 1.00 0.00 H new ATOM 521 N ASP A 36 11.901 -1.659 4.233 1.00 0.00 N ATOM 522 CA ASP A 36 11.735 -2.992 3.647 1.00 0.00 C ATOM 523 C ASP A 36 11.402 -2.917 2.170 1.00 0.00 C ATOM 524 O ASP A 36 12.022 -3.591 1.355 1.00 0.00 O ATOM 525 CB ASP A 36 10.614 -3.759 4.351 1.00 0.00 C ATOM 526 CG ASP A 36 10.938 -4.146 5.778 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.845 -3.276 6.670 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.247 -5.331 6.011 1.00 0.00 O ATOM 0 H ASP A 36 11.216 -1.433 4.954 1.00 0.00 H new ATOM 0 HA ASP A 36 12.685 -3.510 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.711 -3.149 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.391 -4.661 3.782 1.00 0.00 H new ATOM 533 N LEU A 37 10.414 -2.097 1.832 1.00 0.00 N ATOM 534 CA LEU A 37 9.915 -2.029 0.462 1.00 0.00 C ATOM 535 C LEU A 37 10.925 -1.352 -0.463 1.00 0.00 C ATOM 536 O LEU A 37 10.746 -1.376 -1.677 1.00 0.00 O ATOM 537 CB LEU A 37 8.570 -1.278 0.390 1.00 0.00 C ATOM 538 CG LEU A 37 7.314 -2.021 0.890 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.063 -3.275 0.083 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.429 -2.382 2.352 1.00 0.00 C ATOM 0 H LEU A 37 9.943 -1.471 2.485 1.00 0.00 H new ATOM 0 HA LEU A 37 9.763 -3.056 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.667 -0.357 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.400 -0.990 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 37 6.473 -1.340 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.171 -3.777 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.916 -3.010 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.920 -3.943 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.527 -2.904 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.294 -3.029 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.550 -1.474 2.943 1.00 0.00 H new ATOM 552 N ASP A 38 11.978 -0.756 0.117 1.00 0.00 N ATOM 553 CA ASP A 38 12.997 -0.034 -0.661 1.00 0.00 C ATOM 554 C ASP A 38 12.345 1.053 -1.501 1.00 0.00 C ATOM 555 O ASP A 38 12.745 1.304 -2.640 1.00 0.00 O ATOM 556 CB ASP A 38 13.781 -0.990 -1.578 1.00 0.00 C ATOM 557 CG ASP A 38 14.928 -1.692 -0.878 1.00 0.00 C ATOM 558 OD1 ASP A 38 14.690 -2.698 -0.181 1.00 0.00 O ATOM 559 OD2 ASP A 38 16.088 -1.256 -1.041 1.00 0.00 O ATOM 0 H ASP A 38 12.146 -0.760 1.123 1.00 0.00 H new ATOM 0 HA ASP A 38 13.694 0.418 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.098 -1.738 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.172 -0.428 -2.426 1.00 0.00 H new ATOM 564 N VAL A 39 11.346 1.710 -0.932 1.00 0.00 N ATOM 565 CA VAL A 39 10.532 2.634 -1.693 1.00 0.00 C ATOM 566 C VAL A 39 10.892 4.084 -1.374 1.00 0.00 C ATOM 567 O VAL A 39 11.301 4.409 -0.256 1.00 0.00 O ATOM 568 CB VAL A 39 9.021 2.386 -1.433 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.477 3.290 -0.338 1.00 0.00 C ATOM 570 CG2 VAL A 39 8.228 2.553 -2.715 1.00 0.00 C ATOM 0 H VAL A 39 11.083 1.619 0.049 1.00 0.00 H new ATOM 0 HA VAL A 39 10.737 2.457 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 39 8.911 1.359 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.417 3.083 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.017 3.103 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.606 4.332 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.171 2.376 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.360 3.566 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.582 1.838 -3.457 1.00 0.00 H new ATOM 580 N ASP A 40 10.765 4.947 -2.372 1.00 0.00 N ATOM 581 CA ASP A 40 10.934 6.380 -2.170 1.00 0.00 C ATOM 582 C ASP A 40 9.581 7.054 -2.063 1.00 0.00 C ATOM 583 O ASP A 40 8.557 6.440 -2.367 1.00 0.00 O ATOM 584 CB ASP A 40 11.730 7.016 -3.309 1.00 0.00 C ATOM 585 CG ASP A 40 13.197 7.171 -2.975 1.00 0.00 C ATOM 586 OD1 ASP A 40 13.534 8.065 -2.171 1.00 0.00 O ATOM 587 OD2 ASP A 40 14.026 6.424 -3.531 1.00 0.00 O ATOM 0 H ASP A 40 10.545 4.680 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 40 11.490 6.520 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.628 6.404 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.308 7.994 -3.541 1.00 0.00 H new ATOM 592 N SER A 41 9.586 8.319 -1.661 1.00 0.00 N ATOM 593 CA SER A 41 8.354 9.057 -1.420 1.00 0.00 C ATOM 594 C SER A 41 7.487 9.143 -2.679 1.00 0.00 C ATOM 595 O SER A 41 6.278 8.902 -2.629 1.00 0.00 O ATOM 596 CB SER A 41 8.687 10.451 -0.894 1.00 0.00 C ATOM 597 OG SER A 41 9.465 10.358 0.288 1.00 0.00 O ATOM 0 H SER A 41 10.436 8.857 -1.494 1.00 0.00 H new ATOM 0 HA SER A 41 7.774 8.518 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.232 11.013 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.767 10.999 -0.690 1.00 0.00 H new ATOM 0 HG SER A 41 9.673 11.258 0.614 1.00 0.00 H new ATOM 603 N LEU A 42 8.097 9.464 -3.810 1.00 0.00 N ATOM 604 CA LEU A 42 7.348 9.541 -5.055 1.00 0.00 C ATOM 605 C LEU A 42 6.924 8.139 -5.485 1.00 0.00 C ATOM 606 O LEU A 42 5.764 7.909 -5.817 1.00 0.00 O ATOM 607 CB LEU A 42 8.184 10.204 -6.154 1.00 0.00 C ATOM 608 CG LEU A 42 7.391 11.049 -7.158 1.00 0.00 C ATOM 609 CD1 LEU A 42 6.263 10.238 -7.779 1.00 0.00 C ATOM 610 CD2 LEU A 42 6.846 12.300 -6.485 1.00 0.00 C ATOM 0 H LEU A 42 9.092 9.672 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 42 6.460 10.152 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.936 10.838 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.719 9.427 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 42 8.067 11.353 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.715 10.859 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.679 9.375 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.586 9.898 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.286 12.889 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.188 12.014 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.673 12.894 -6.097 1.00 0.00 H new ATOM 622 N SER A 43 7.870 7.213 -5.441 1.00 0.00 N ATOM 623 CA SER A 43 7.643 5.831 -5.848 1.00 0.00 C ATOM 624 C SER A 43 6.382 5.251 -5.205 1.00 0.00 C ATOM 625 O SER A 43 5.456 4.801 -5.899 1.00 0.00 O ATOM 626 CB SER A 43 8.856 5.005 -5.433 1.00 0.00 C ATOM 627 OG SER A 43 10.056 5.670 -5.776 1.00 0.00 O ATOM 0 H SER A 43 8.821 7.398 -5.121 1.00 0.00 H new ATOM 0 HA SER A 43 7.502 5.801 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.829 4.825 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.822 4.031 -5.920 1.00 0.00 H new ATOM 0 HG SER A 43 10.815 5.063 -5.648 1.00 0.00 H new ATOM 633 N MET A 44 6.355 5.281 -3.876 1.00 0.00 N ATOM 634 CA MET A 44 5.236 4.752 -3.109 1.00 0.00 C ATOM 635 C MET A 44 3.935 5.429 -3.507 1.00 0.00 C ATOM 636 O MET A 44 2.971 4.764 -3.865 1.00 0.00 O ATOM 637 CB MET A 44 5.489 4.914 -1.602 1.00 0.00 C ATOM 638 CG MET A 44 5.793 6.339 -1.174 1.00 0.00 C ATOM 639 SD MET A 44 6.703 6.439 0.382 1.00 0.00 S ATOM 640 CE MET A 44 5.739 5.352 1.429 1.00 0.00 C ATOM 0 H MET A 44 7.105 5.671 -3.305 1.00 0.00 H new ATOM 0 HA MET A 44 5.146 3.689 -3.332 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.613 4.562 -1.057 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.323 4.274 -1.314 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.371 6.831 -1.957 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.857 6.889 -1.075 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.778 5.709 2.458 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.704 5.341 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 44 6.148 4.343 1.380 1.00 0.00 H new ATOM 650 N VAL A 45 3.921 6.749 -3.500 1.00 0.00 N ATOM 651 CA VAL A 45 2.705 7.485 -3.797 1.00 0.00 C ATOM 652 C VAL A 45 2.241 7.227 -5.231 1.00 0.00 C ATOM 653 O VAL A 45 1.060 7.304 -5.533 1.00 0.00 O ATOM 654 CB VAL A 45 2.909 8.997 -3.546 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.699 9.811 -3.981 1.00 0.00 C ATOM 656 CG2 VAL A 45 3.199 9.231 -2.072 1.00 0.00 C ATOM 0 H VAL A 45 4.733 7.331 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 45 1.923 7.130 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 45 3.756 9.330 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.883 10.868 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.524 9.662 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.822 9.487 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.343 10.297 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.360 8.874 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.102 8.691 -1.789 1.00 0.00 H new ATOM 666 N GLU A 46 3.155 6.852 -6.105 1.00 0.00 N ATOM 667 CA GLU A 46 2.813 6.701 -7.508 1.00 0.00 C ATOM 668 C GLU A 46 2.013 5.425 -7.759 1.00 0.00 C ATOM 669 O GLU A 46 0.831 5.485 -8.119 1.00 0.00 O ATOM 670 CB GLU A 46 4.076 6.735 -8.374 1.00 0.00 C ATOM 671 CG GLU A 46 3.804 6.577 -9.861 1.00 0.00 C ATOM 672 CD GLU A 46 4.733 7.411 -10.721 1.00 0.00 C ATOM 673 OE1 GLU A 46 5.853 6.950 -11.025 1.00 0.00 O ATOM 674 OE2 GLU A 46 4.337 8.529 -11.112 1.00 0.00 O ATOM 0 H GLU A 46 4.127 6.648 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 46 2.178 7.541 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.594 7.679 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.749 5.941 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.908 5.527 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.772 6.860 -10.069 1.00 0.00 H new ATOM 681 N VAL A 47 2.613 4.267 -7.525 1.00 0.00 N ATOM 682 CA VAL A 47 1.936 3.032 -7.866 1.00 0.00 C ATOM 683 C VAL A 47 1.001 2.586 -6.741 1.00 0.00 C ATOM 684 O VAL A 47 0.019 1.884 -6.984 1.00 0.00 O ATOM 685 CB VAL A 47 2.940 1.916 -8.214 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.233 0.707 -8.800 1.00 0.00 C ATOM 687 CG2 VAL A 47 3.995 2.432 -9.181 1.00 0.00 C ATOM 0 H VAL A 47 3.540 4.160 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 47 1.332 3.227 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 47 3.431 1.606 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.966 -0.064 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.517 0.318 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.707 0.998 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.696 1.631 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.513 2.773 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.533 3.262 -8.723 1.00 0.00 H new ATOM 697 N VAL A 48 1.265 3.025 -5.514 1.00 0.00 N ATOM 698 CA VAL A 48 0.422 2.622 -4.394 1.00 0.00 C ATOM 699 C VAL A 48 -0.869 3.449 -4.371 1.00 0.00 C ATOM 700 O VAL A 48 -1.905 2.975 -3.910 1.00 0.00 O ATOM 701 CB VAL A 48 1.172 2.701 -3.040 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.323 2.160 -1.899 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.475 1.924 -3.125 1.00 0.00 C ATOM 0 H VAL A 48 2.038 3.646 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 48 0.156 1.575 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 48 1.383 3.751 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.881 2.231 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.594 2.744 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.073 1.117 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.997 1.984 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.262 0.881 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.102 2.350 -3.909 1.00 0.00 H new ATOM 713 N VAL A 49 -0.819 4.671 -4.909 1.00 0.00 N ATOM 714 CA VAL A 49 -2.046 5.429 -5.155 1.00 0.00 C ATOM 715 C VAL A 49 -2.807 4.783 -6.311 1.00 0.00 C ATOM 716 O VAL A 49 -4.034 4.715 -6.320 1.00 0.00 O ATOM 717 CB VAL A 49 -1.764 6.926 -5.448 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.914 7.584 -6.199 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.497 7.674 -4.149 1.00 0.00 C ATOM 0 H VAL A 49 0.041 5.148 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.653 5.401 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.881 6.974 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.676 8.631 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.067 7.073 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.823 7.519 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.300 8.724 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.368 7.596 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.631 7.239 -3.650 1.00 0.00 H new ATOM 729 N ALA A 50 -2.066 4.258 -7.277 1.00 0.00 N ATOM 730 CA ALA A 50 -2.672 3.465 -8.339 1.00 0.00 C ATOM 731 C ALA A 50 -3.358 2.222 -7.758 1.00 0.00 C ATOM 732 O ALA A 50 -4.249 1.644 -8.379 1.00 0.00 O ATOM 733 CB ALA A 50 -1.625 3.072 -9.370 1.00 0.00 C ATOM 0 H ALA A 50 -1.054 4.365 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.430 4.071 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.093 2.480 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.187 3.971 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.844 2.483 -8.889 1.00 0.00 H new ATOM 739 N ALA A 51 -2.929 1.814 -6.564 1.00 0.00 N ATOM 740 CA ALA A 51 -3.537 0.685 -5.865 1.00 0.00 C ATOM 741 C ALA A 51 -4.761 1.107 -5.056 1.00 0.00 C ATOM 742 O ALA A 51 -5.754 0.388 -5.033 1.00 0.00 O ATOM 743 CB ALA A 51 -2.525 0.008 -4.951 1.00 0.00 C ATOM 0 H ALA A 51 -2.158 2.252 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.864 -0.022 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.999 -0.830 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.686 -0.356 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.164 0.725 -4.213 1.00 0.00 H new ATOM 749 N GLU A 52 -4.705 2.272 -4.411 1.00 0.00 N ATOM 750 CA GLU A 52 -5.786 2.692 -3.523 1.00 0.00 C ATOM 751 C GLU A 52 -7.079 2.803 -4.312 1.00 0.00 C ATOM 752 O GLU A 52 -8.104 2.231 -3.946 1.00 0.00 O ATOM 753 CB GLU A 52 -5.454 4.025 -2.824 1.00 0.00 C ATOM 754 CG GLU A 52 -5.234 5.186 -3.775 1.00 0.00 C ATOM 755 CD GLU A 52 -5.332 6.538 -3.106 1.00 0.00 C ATOM 756 OE1 GLU A 52 -6.459 6.961 -2.780 1.00 0.00 O ATOM 757 OE2 GLU A 52 -4.290 7.183 -2.915 1.00 0.00 O ATOM 0 H GLU A 52 -3.932 2.934 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.906 1.940 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.266 4.277 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.558 3.891 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.251 5.087 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.969 5.132 -4.578 1.00 0.00 H new ATOM 764 N GLU A 53 -6.996 3.470 -5.439 1.00 0.00 N ATOM 765 CA GLU A 53 -8.163 3.757 -6.236 1.00 0.00 C ATOM 766 C GLU A 53 -8.835 2.480 -6.738 1.00 0.00 C ATOM 767 O GLU A 53 -10.062 2.395 -6.799 1.00 0.00 O ATOM 768 CB GLU A 53 -7.763 4.615 -7.416 1.00 0.00 C ATOM 769 CG GLU A 53 -6.984 5.863 -7.037 1.00 0.00 C ATOM 770 CD GLU A 53 -6.603 6.698 -8.243 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.635 6.337 -8.946 1.00 0.00 O ATOM 772 OE2 GLU A 53 -7.271 7.721 -8.499 1.00 0.00 O ATOM 0 H GLU A 53 -6.123 3.827 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.880 4.286 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.160 4.017 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.661 4.911 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.582 6.467 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.081 5.574 -6.499 1.00 0.00 H new ATOM 779 N ARG A 54 -8.030 1.478 -7.078 1.00 0.00 N ATOM 780 CA ARG A 54 -8.562 0.245 -7.649 1.00 0.00 C ATOM 781 C ARG A 54 -9.194 -0.634 -6.572 1.00 0.00 C ATOM 782 O ARG A 54 -9.852 -1.629 -6.874 1.00 0.00 O ATOM 783 CB ARG A 54 -7.477 -0.525 -8.410 1.00 0.00 C ATOM 784 CG ARG A 54 -6.355 -1.070 -7.549 1.00 0.00 C ATOM 785 CD ARG A 54 -5.309 -1.763 -8.401 1.00 0.00 C ATOM 786 NE ARG A 54 -4.731 -0.860 -9.394 1.00 0.00 N ATOM 787 CZ ARG A 54 -4.582 -1.163 -10.685 1.00 0.00 C ATOM 788 NH1 ARG A 54 -5.005 -2.331 -11.150 1.00 0.00 N ATOM 789 NH2 ARG A 54 -4.015 -0.293 -11.511 1.00 0.00 N ATOM 0 H ARG A 54 -7.016 1.494 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.342 0.521 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.945 -1.355 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.048 0.133 -9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.893 -0.257 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.759 -1.772 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.518 -2.152 -7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.760 -2.618 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.422 0.060 -9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.446 -3.001 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.889 -2.559 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.692 0.609 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.902 -0.526 -12.498 1.00 0.00 H new ATOM 803 N PHE A 55 -8.991 -0.264 -5.314 1.00 0.00 N ATOM 804 CA PHE A 55 -9.666 -0.924 -4.203 1.00 0.00 C ATOM 805 C PHE A 55 -10.798 -0.042 -3.690 1.00 0.00 C ATOM 806 O PHE A 55 -11.333 -0.262 -2.606 1.00 0.00 O ATOM 807 CB PHE A 55 -8.679 -1.249 -3.079 1.00 0.00 C ATOM 808 CG PHE A 55 -7.736 -2.371 -3.422 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.193 -3.677 -3.488 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.396 -2.122 -3.675 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.335 -4.714 -3.802 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.532 -3.155 -3.991 1.00 0.00 C ATOM 813 CZ PHE A 55 -6.004 -4.452 -4.053 1.00 0.00 C ATOM 0 H PHE A 55 -8.363 0.491 -5.037 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.085 -1.865 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.100 -0.356 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.236 -1.514 -2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.234 -3.888 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.022 -1.110 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.706 -5.727 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.491 -2.948 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.331 -5.261 -4.298 1.00 0.00 H new ATOM 823 N ASP A 56 -11.151 0.951 -4.506 1.00 0.00 N ATOM 824 CA ASP A 56 -12.254 1.876 -4.229 1.00 0.00 C ATOM 825 C ASP A 56 -12.040 2.624 -2.916 1.00 0.00 C ATOM 826 O ASP A 56 -12.844 2.536 -1.986 1.00 0.00 O ATOM 827 CB ASP A 56 -13.597 1.137 -4.205 1.00 0.00 C ATOM 828 CG ASP A 56 -14.770 2.035 -4.565 1.00 0.00 C ATOM 829 OD1 ASP A 56 -14.791 3.210 -4.150 1.00 0.00 O ATOM 830 OD2 ASP A 56 -15.682 1.565 -5.280 1.00 0.00 O ATOM 0 H ASP A 56 -10.675 1.139 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.274 2.608 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.559 0.300 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.758 0.717 -3.212 1.00 0.00 H new ATOM 835 N VAL A 57 -10.941 3.347 -2.838 1.00 0.00 N ATOM 836 CA VAL A 57 -10.668 4.193 -1.693 1.00 0.00 C ATOM 837 C VAL A 57 -9.966 5.458 -2.171 1.00 0.00 C ATOM 838 O VAL A 57 -9.443 5.488 -3.284 1.00 0.00 O ATOM 839 CB VAL A 57 -9.789 3.456 -0.664 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.411 3.227 -1.231 1.00 0.00 C ATOM 841 CG2 VAL A 57 -9.713 4.211 0.654 1.00 0.00 C ATOM 0 H VAL A 57 -10.219 3.366 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.609 4.452 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.251 2.491 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.797 2.706 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.485 2.623 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.953 4.186 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.084 3.660 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.286 5.199 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.714 4.316 1.071 1.00 0.00 H new ATOM 851 N LYS A 58 -9.991 6.499 -1.358 1.00 0.00 N ATOM 852 CA LYS A 58 -9.284 7.724 -1.675 1.00 0.00 C ATOM 853 C LYS A 58 -8.514 8.215 -0.452 1.00 0.00 C ATOM 854 O LYS A 58 -9.102 8.589 0.565 1.00 0.00 O ATOM 855 CB LYS A 58 -10.274 8.777 -2.183 1.00 0.00 C ATOM 856 CG LYS A 58 -11.391 9.102 -1.200 1.00 0.00 C ATOM 857 CD LYS A 58 -12.664 9.499 -1.922 1.00 0.00 C ATOM 858 CE LYS A 58 -13.313 8.297 -2.589 1.00 0.00 C ATOM 859 NZ LYS A 58 -14.482 8.677 -3.426 1.00 0.00 N ATOM 0 H LYS A 58 -10.495 6.519 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.560 7.535 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.729 9.692 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.715 8.426 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.585 8.236 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.075 9.912 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.362 9.947 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.439 10.257 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.576 7.787 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.632 7.588 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.890 7.824 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.199 9.140 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.176 9.332 -4.173 1.00 0.00 H new ATOM 873 N ILE A 59 -7.198 8.169 -0.540 1.00 0.00 N ATOM 874 CA ILE A 59 -6.346 8.665 0.527 1.00 0.00 C ATOM 875 C ILE A 59 -5.492 9.812 0.002 1.00 0.00 C ATOM 876 O ILE A 59 -5.338 9.972 -1.211 1.00 0.00 O ATOM 877 CB ILE A 59 -5.430 7.561 1.122 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.349 7.135 0.131 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.245 6.347 1.541 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.449 6.041 0.662 1.00 0.00 C ATOM 0 H ILE A 59 -6.693 7.792 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.997 9.010 1.330 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.945 7.986 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.823 6.792 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.741 8.002 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.581 5.588 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.974 6.641 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.765 5.941 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.704 5.785 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.948 6.389 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.046 5.160 0.895 1.00 0.00 H new ATOM 892 N PRO A 60 -4.968 10.661 0.897 1.00 0.00 N ATOM 893 CA PRO A 60 -4.085 11.761 0.509 1.00 0.00 C ATOM 894 C PRO A 60 -2.762 11.255 -0.051 1.00 0.00 C ATOM 895 O PRO A 60 -2.174 10.319 0.490 1.00 0.00 O ATOM 896 CB PRO A 60 -3.842 12.521 1.819 1.00 0.00 C ATOM 897 CG PRO A 60 -4.897 12.042 2.756 1.00 0.00 C ATOM 898 CD PRO A 60 -5.195 10.629 2.350 1.00 0.00 C ATOM 0 HA PRO A 60 -4.527 12.375 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.846 12.318 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.911 13.598 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.552 12.087 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.790 12.664 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.537 9.916 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.218 10.344 2.595 1.00 0.00 H new ATOM 906 N ASP A 61 -2.298 11.881 -1.130 1.00 0.00 N ATOM 907 CA ASP A 61 -1.003 11.549 -1.718 1.00 0.00 C ATOM 908 C ASP A 61 0.077 11.601 -0.645 1.00 0.00 C ATOM 909 O ASP A 61 0.882 10.682 -0.503 1.00 0.00 O ATOM 910 CB ASP A 61 -0.637 12.537 -2.831 1.00 0.00 C ATOM 911 CG ASP A 61 -1.658 12.589 -3.949 1.00 0.00 C ATOM 912 OD1 ASP A 61 -2.811 12.996 -3.684 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.306 12.261 -5.098 1.00 0.00 O ATOM 0 H ASP A 61 -2.801 12.623 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.071 10.546 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.529 13.533 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.332 12.262 -3.247 1.00 0.00 H new ATOM 918 N ASP A 62 0.052 12.683 0.127 1.00 0.00 N ATOM 919 CA ASP A 62 1.017 12.906 1.195 1.00 0.00 C ATOM 920 C ASP A 62 0.967 11.788 2.227 1.00 0.00 C ATOM 921 O ASP A 62 1.988 11.427 2.808 1.00 0.00 O ATOM 922 CB ASP A 62 0.737 14.249 1.871 1.00 0.00 C ATOM 923 CG ASP A 62 1.690 14.541 3.011 1.00 0.00 C ATOM 924 OD1 ASP A 62 2.790 15.073 2.744 1.00 0.00 O ATOM 925 OD2 ASP A 62 1.335 14.268 4.174 1.00 0.00 O ATOM 0 H ASP A 62 -0.637 13.428 0.029 1.00 0.00 H new ATOM 0 HA ASP A 62 2.015 12.917 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.809 15.046 1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.286 14.255 2.248 1.00 0.00 H new ATOM 930 N ASP A 63 -0.222 11.226 2.426 1.00 0.00 N ATOM 931 CA ASP A 63 -0.427 10.207 3.445 1.00 0.00 C ATOM 932 C ASP A 63 0.363 8.949 3.111 1.00 0.00 C ATOM 933 O ASP A 63 1.039 8.396 3.977 1.00 0.00 O ATOM 934 CB ASP A 63 -1.914 9.879 3.585 1.00 0.00 C ATOM 935 CG ASP A 63 -2.230 9.143 4.869 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.522 9.823 5.876 1.00 0.00 O ATOM 937 OD2 ASP A 63 -2.199 7.897 4.870 1.00 0.00 O ATOM 0 H ASP A 63 -1.059 11.461 1.892 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.068 10.599 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.491 10.803 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.230 9.273 2.736 1.00 0.00 H new ATOM 942 N VAL A 64 0.314 8.524 1.840 1.00 0.00 N ATOM 943 CA VAL A 64 1.050 7.333 1.400 1.00 0.00 C ATOM 944 C VAL A 64 2.527 7.461 1.749 1.00 0.00 C ATOM 945 O VAL A 64 3.150 6.516 2.215 1.00 0.00 O ATOM 946 CB VAL A 64 0.934 7.092 -0.127 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.604 5.783 -0.522 1.00 0.00 C ATOM 948 CG2 VAL A 64 -0.516 7.095 -0.578 1.00 0.00 C ATOM 0 H VAL A 64 -0.223 8.984 1.105 1.00 0.00 H new ATOM 0 HA VAL A 64 0.601 6.488 1.921 1.00 0.00 H new ATOM 0 HB VAL A 64 1.448 7.912 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.509 5.636 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.659 5.819 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.123 4.956 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.563 6.923 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.060 6.305 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.968 8.059 -0.344 1.00 0.00 H new ATOM 958 N LYS A 65 3.064 8.651 1.529 1.00 0.00 N ATOM 959 CA LYS A 65 4.468 8.933 1.789 1.00 0.00 C ATOM 960 C LYS A 65 4.727 9.129 3.287 1.00 0.00 C ATOM 961 O LYS A 65 5.852 8.964 3.765 1.00 0.00 O ATOM 962 CB LYS A 65 4.882 10.170 0.966 1.00 0.00 C ATOM 963 CG LYS A 65 6.021 10.996 1.546 1.00 0.00 C ATOM 964 CD LYS A 65 5.518 11.965 2.608 1.00 0.00 C ATOM 965 CE LYS A 65 6.647 12.773 3.218 1.00 0.00 C ATOM 966 NZ LYS A 65 7.681 11.909 3.841 1.00 0.00 N ATOM 0 H LYS A 65 2.540 9.447 1.166 1.00 0.00 H new ATOM 0 HA LYS A 65 5.077 8.083 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.168 9.840 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.011 10.815 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.769 10.333 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.513 11.552 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.786 12.641 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.005 11.409 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.108 13.390 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.242 13.451 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.300 12.488 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.220 11.178 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.248 11.455 3.097 1.00 0.00 H new ATOM 980 N ASN A 66 3.682 9.480 4.019 1.00 0.00 N ATOM 981 CA ASN A 66 3.806 9.789 5.435 1.00 0.00 C ATOM 982 C ASN A 66 3.929 8.506 6.251 1.00 0.00 C ATOM 983 O ASN A 66 4.685 8.445 7.221 1.00 0.00 O ATOM 984 CB ASN A 66 2.587 10.596 5.895 1.00 0.00 C ATOM 985 CG ASN A 66 2.840 11.408 7.152 1.00 0.00 C ATOM 986 OD1 ASN A 66 3.643 11.038 8.008 1.00 0.00 O ATOM 987 ND2 ASN A 66 2.163 12.541 7.260 1.00 0.00 N ATOM 0 H ASN A 66 2.733 9.558 3.654 1.00 0.00 H new ATOM 0 HA ASN A 66 4.707 10.382 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.282 11.268 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.756 9.914 6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.299 13.141 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.506 12.814 6.529 1.00 0.00 H new ATOM 994 N LEU A 67 3.190 7.479 5.844 1.00 0.00 N ATOM 995 CA LEU A 67 3.194 6.206 6.553 1.00 0.00 C ATOM 996 C LEU A 67 4.491 5.450 6.330 1.00 0.00 C ATOM 997 O LEU A 67 5.026 5.392 5.224 1.00 0.00 O ATOM 998 CB LEU A 67 1.971 5.369 6.167 1.00 0.00 C ATOM 999 CG LEU A 67 1.675 5.258 4.670 1.00 0.00 C ATOM 1000 CD1 LEU A 67 2.067 3.889 4.129 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.198 5.523 4.410 1.00 0.00 C ATOM 0 H LEU A 67 2.581 7.504 5.026 1.00 0.00 H new ATOM 0 HA LEU A 67 3.130 6.412 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.104 4.363 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.096 5.794 6.659 1.00 0.00 H new ATOM 0 HG LEU A 67 2.272 6.007 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.844 3.842 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.134 3.728 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.504 3.116 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.004 5.442 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.403 4.791 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.058 6.526 4.752 1.00 0.00 H new ATOM 1013 N LYS A 68 4.988 4.875 7.415 1.00 0.00 N ATOM 1014 CA LYS A 68 6.314 4.288 7.436 1.00 0.00 C ATOM 1015 C LYS A 68 6.296 2.844 6.963 1.00 0.00 C ATOM 1016 O LYS A 68 7.285 2.352 6.429 1.00 0.00 O ATOM 1017 CB LYS A 68 6.893 4.355 8.850 1.00 0.00 C ATOM 1018 CG LYS A 68 6.889 5.753 9.447 1.00 0.00 C ATOM 1019 CD LYS A 68 7.699 6.723 8.603 1.00 0.00 C ATOM 1020 CE LYS A 68 7.718 8.114 9.215 1.00 0.00 C ATOM 1021 NZ LYS A 68 8.576 9.046 8.440 1.00 0.00 N ATOM 0 H LYS A 68 4.485 4.804 8.299 1.00 0.00 H new ATOM 0 HA LYS A 68 6.940 4.861 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.322 3.691 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.916 3.980 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.863 6.111 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.298 5.719 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.720 6.355 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.278 6.772 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.702 8.506 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.080 8.055 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.563 9.984 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.551 8.685 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.215 9.122 7.468 1.00 0.00 H new ATOM 1035 N THR A 69 5.180 2.164 7.168 1.00 0.00 N ATOM 1036 CA THR A 69 5.078 0.753 6.822 1.00 0.00 C ATOM 1037 C THR A 69 4.012 0.557 5.757 1.00 0.00 C ATOM 1038 O THR A 69 3.088 1.363 5.651 1.00 0.00 O ATOM 1039 CB THR A 69 4.732 -0.107 8.064 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.361 0.077 8.424 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.605 0.287 9.242 1.00 0.00 C ATOM 0 H THR A 69 4.333 2.564 7.571 1.00 0.00 H new ATOM 0 HA THR A 69 6.046 0.430 6.439 1.00 0.00 H new ATOM 0 HB THR A 69 4.910 -1.153 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.268 0.898 8.951 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.349 -0.327 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.653 0.133 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.440 1.338 9.482 1.00 0.00 H new ATOM 1049 N VAL A 70 4.134 -0.503 4.969 1.00 0.00 N ATOM 1050 CA VAL A 70 3.116 -0.816 3.974 1.00 0.00 C ATOM 1051 C VAL A 70 1.798 -1.133 4.671 1.00 0.00 C ATOM 1052 O VAL A 70 0.717 -0.862 4.144 1.00 0.00 O ATOM 1053 CB VAL A 70 3.553 -1.981 3.044 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.385 -2.990 3.801 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.356 -2.668 2.391 1.00 0.00 C ATOM 0 H VAL A 70 4.918 -1.154 4.998 1.00 0.00 H new ATOM 0 HA VAL A 70 2.981 0.058 3.337 1.00 0.00 H new ATOM 0 HB VAL A 70 4.161 -1.547 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.679 -3.796 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.277 -2.503 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.800 -3.399 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.706 -3.476 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.704 -3.075 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.802 -1.944 1.793 1.00 0.00 H new ATOM 1065 N GLY A 71 1.905 -1.645 5.890 1.00 0.00 N ATOM 1066 CA GLY A 71 0.733 -1.989 6.656 1.00 0.00 C ATOM 1067 C GLY A 71 -0.111 -0.779 7.004 1.00 0.00 C ATOM 1068 O GLY A 71 -1.336 -0.878 7.076 1.00 0.00 O ATOM 0 H GLY A 71 2.791 -1.828 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.129 -2.698 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.038 -2.491 7.574 1.00 0.00 H new ATOM 1072 N ASP A 72 0.545 0.365 7.210 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.156 1.606 7.538 1.00 0.00 C ATOM 1074 C ASP A 72 -1.108 1.993 6.420 1.00 0.00 C ATOM 1075 O ASP A 72 -2.304 2.162 6.651 1.00 0.00 O ATOM 1076 CB ASP A 72 0.821 2.760 7.776 1.00 0.00 C ATOM 1077 CG ASP A 72 1.678 2.581 9.010 1.00 0.00 C ATOM 1078 OD1 ASP A 72 1.117 2.447 10.118 1.00 0.00 O ATOM 1079 OD2 ASP A 72 2.921 2.590 8.877 1.00 0.00 O ATOM 0 H ASP A 72 1.559 0.457 7.155 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.715 1.423 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.469 2.863 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.258 3.689 7.866 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.565 2.122 5.207 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.368 2.454 4.031 1.00 0.00 C ATOM 1086 C ALA A 73 -2.509 1.491 3.889 1.00 0.00 C ATOM 1087 O ALA A 73 -3.665 1.885 3.768 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.549 2.378 2.759 1.00 0.00 C ATOM 0 H ALA A 73 0.429 2.001 5.015 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.732 3.471 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.178 2.631 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.282 3.081 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.160 1.367 2.636 1.00 0.00 H new ATOM 1094 N THR A 74 -2.154 0.223 3.902 1.00 0.00 N ATOM 1095 CA THR A 74 -3.106 -0.843 3.741 1.00 0.00 C ATOM 1096 C THR A 74 -4.250 -0.702 4.740 1.00 0.00 C ATOM 1097 O THR A 74 -5.411 -0.690 4.353 1.00 0.00 O ATOM 1098 CB THR A 74 -2.414 -2.199 3.919 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.235 -2.250 3.108 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.333 -3.315 3.507 1.00 0.00 C ATOM 0 H THR A 74 -1.192 -0.093 4.025 1.00 0.00 H new ATOM 0 HA THR A 74 -3.520 -0.785 2.734 1.00 0.00 H new ATOM 0 HB THR A 74 -2.151 -2.316 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.448 -2.068 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.827 -4.271 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.232 -3.292 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.608 -3.192 2.459 1.00 0.00 H new ATOM 1108 N LYS A 75 -3.909 -0.545 6.018 1.00 0.00 N ATOM 1109 CA LYS A 75 -4.913 -0.434 7.073 1.00 0.00 C ATOM 1110 C LYS A 75 -5.736 0.845 6.905 1.00 0.00 C ATOM 1111 O LYS A 75 -6.936 0.859 7.165 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.241 -0.450 8.451 1.00 0.00 C ATOM 1113 CG LYS A 75 -5.031 -1.199 9.511 1.00 0.00 C ATOM 1114 CD LYS A 75 -5.126 -2.675 9.171 1.00 0.00 C ATOM 1115 CE LYS A 75 -5.767 -3.470 10.293 1.00 0.00 C ATOM 1116 NZ LYS A 75 -5.023 -3.329 11.569 1.00 0.00 N ATOM 0 H LYS A 75 -2.945 -0.492 6.347 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.584 -1.290 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.254 -0.904 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.089 0.577 8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.553 -1.075 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.032 -0.775 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.707 -2.801 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.129 -3.067 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.795 -3.135 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.810 -4.522 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.267 -4.117 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.001 -3.342 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.279 -2.429 12.023 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.079 1.911 6.460 1.00 0.00 N ATOM 1131 CA TYR A 76 -5.742 3.187 6.213 1.00 0.00 C ATOM 1132 C TYR A 76 -6.720 3.044 5.046 1.00 0.00 C ATOM 1133 O TYR A 76 -7.832 3.581 5.074 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.687 4.260 5.918 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.204 5.680 5.942 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.573 6.286 7.136 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.309 6.420 4.773 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -6.031 7.590 7.163 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.766 7.725 4.791 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.128 8.306 5.988 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.592 9.603 6.011 1.00 0.00 O ATOM 0 H TYR A 76 -4.079 1.916 6.261 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.307 3.488 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.882 4.169 6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.253 4.063 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.501 5.729 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.029 5.969 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.312 8.047 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.839 8.287 3.871 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.597 9.965 5.100 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.294 2.299 4.029 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.155 1.936 2.910 1.00 0.00 C ATOM 1153 C ILE A 77 -8.337 1.111 3.406 1.00 0.00 C ATOM 1154 O ILE A 77 -9.480 1.344 3.028 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.373 1.128 1.844 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.391 2.036 1.096 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.327 0.447 0.867 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.459 1.287 0.166 1.00 0.00 C ATOM 0 H ILE A 77 -5.345 1.932 3.959 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.517 2.856 2.452 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.804 0.352 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.955 2.769 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.797 2.591 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.753 -0.113 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.981 -0.234 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.930 1.201 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.793 1.994 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.868 0.573 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.044 0.754 -0.584 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.040 0.163 4.276 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.038 -0.740 4.825 1.00 0.00 C ATOM 1172 C LEU A 78 -10.058 0.002 5.685 1.00 0.00 C ATOM 1173 O LEU A 78 -11.188 -0.456 5.862 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.339 -1.817 5.647 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.339 -2.670 4.862 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.649 -3.664 5.785 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.055 -3.400 3.738 1.00 0.00 C ATOM 0 H LEU A 78 -7.096 -0.004 4.624 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.582 -1.197 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.817 -1.341 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.095 -2.473 6.080 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.579 -2.017 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.941 -4.263 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.117 -3.124 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.394 -4.318 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.338 -4.005 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.827 -4.045 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.514 -2.674 3.067 1.00 0.00 H new ATOM 1189 N ASP A 79 -9.654 1.142 6.218 1.00 0.00 N ATOM 1190 CA ASP A 79 -10.541 1.958 7.037 1.00 0.00 C ATOM 1191 C ASP A 79 -11.446 2.821 6.164 1.00 0.00 C ATOM 1192 O ASP A 79 -12.668 2.804 6.311 1.00 0.00 O ATOM 1193 CB ASP A 79 -9.726 2.852 7.975 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.593 3.775 8.809 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -10.886 4.899 8.352 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -10.963 3.393 9.936 1.00 0.00 O ATOM 0 H ASP A 79 -8.717 1.526 6.100 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.163 1.288 7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.128 2.226 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.030 3.449 7.386 1.00 0.00 H new ATOM 1201 N HIS A 80 -10.839 3.541 5.227 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.557 4.535 4.426 1.00 0.00 C ATOM 1203 C HIS A 80 -12.095 3.946 3.125 1.00 0.00 C ATOM 1204 O HIS A 80 -12.534 4.685 2.242 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.641 5.725 4.107 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.307 6.576 5.299 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -10.980 7.737 5.607 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -9.359 6.432 6.252 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -10.460 8.269 6.696 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -9.473 7.496 7.112 1.00 0.00 N ATOM 0 H HIS A 80 -9.848 3.457 5.000 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.407 4.870 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.715 5.351 3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.121 6.348 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.643 5.627 6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.787 9.184 7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.893 7.662 7.934 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.064 2.626 2.998 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.520 1.972 1.775 1.00 0.00 C ATOM 1221 C GLN A 81 -14.026 2.149 1.592 1.00 0.00 C ATOM 1222 O GLN A 81 -14.770 2.257 2.571 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.166 0.483 1.791 1.00 0.00 C ATOM 1224 CG GLN A 81 -12.724 -0.272 2.986 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.332 -1.739 2.984 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -13.058 -2.585 3.500 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.178 -2.050 2.407 1.00 0.00 N ATOM 0 H GLN A 81 -11.730 1.989 3.721 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.010 2.444 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.539 0.022 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.081 0.378 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.368 0.194 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.811 -0.190 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.603 -1.318 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.866 -3.021 2.381 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.470 2.187 0.345 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.891 2.335 0.052 1.00 0.00 C ATOM 1238 C ALA A 82 -16.515 0.998 -0.348 1.00 0.00 C ATOM 1239 O ALA A 82 -16.613 0.720 -1.561 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.103 3.382 -1.033 1.00 0.00 C ATOM 1241 OXT ALA A 82 -16.906 0.227 0.556 1.00 0.00 O ATOM 0 H ALA A 82 -13.872 2.118 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.392 2.673 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.169 3.481 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.709 4.341 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.584 3.075 -1.941 1.00 0.00 H new TER 1247 ALA A 82