USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= 0 X(o=0.14,f=0.18) USER MOD Set 1.2: A 36 CYS SG : rot -22:sc= 0.137 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 20:sc= 1.14 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 67:sc= 1.29 USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000736) USER MOD Single : A 22 THR OG1 : rot -29:sc= 1.26 USER MOD Single : A 23 MET CE :methyl -140:sc= 0 (180deg=-0.731) USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.0137 USER MOD Single : A 27 SER OG : rot -67:sc= 1.21 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.988 K(o=0.99,f=-0.31) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.3 (180deg=1.18) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 51 SER OG : rot 99:sc= 1.27 USER MOD Single : A 52 GLN : amide:sc= 0.86 K(o=0.86,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 170:sc= -0.51 (180deg=-0.537) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= -0.0203 (180deg=-0.697) USER MOD Single : A 62 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.9!) USER MOD Single : A 63 MET CE :methyl 173:sc= -0.284 (180deg=-0.361) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -41:sc= 0.172 USER MOD Single : A 78 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 82 HIS : no HE2:sc= 0.881 K(o=0.88,f=-2.8!) USER MOD Single : A 84 SER OG : rot 141:sc= 0.894 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.158 11.470 -11.542 1.00 0.00 N ATOM 2 CA GLY A 1 6.282 11.870 -12.397 1.00 0.00 C ATOM 3 C GLY A 1 6.999 10.665 -12.988 1.00 0.00 C ATOM 4 O GLY A 1 6.914 10.468 -14.201 1.00 0.00 O ATOM 0 H1 GLY A 1 4.695 12.318 -11.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.472 10.925 -12.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.509 10.883 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.917 12.507 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.988 12.464 -11.816 1.00 0.00 H new ATOM 8 N SER A 2 7.656 9.843 -12.155 1.00 0.00 N ATOM 9 CA SER A 2 8.423 8.646 -12.525 1.00 0.00 C ATOM 10 C SER A 2 9.745 9.062 -13.196 1.00 0.00 C ATOM 11 O SER A 2 9.822 10.121 -13.828 1.00 0.00 O ATOM 12 CB SER A 2 7.559 7.681 -13.368 1.00 0.00 C ATOM 13 OG SER A 2 8.181 6.420 -13.546 1.00 0.00 O ATOM 0 H SER A 2 7.666 10.006 -11.148 1.00 0.00 H new ATOM 0 HA SER A 2 8.695 8.082 -11.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.593 7.542 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.364 8.128 -14.343 1.00 0.00 H new ATOM 0 HG SER A 2 7.600 5.841 -14.083 1.00 0.00 H new ATOM 19 N SER A 3 10.779 8.223 -13.103 1.00 0.00 N ATOM 20 CA SER A 3 12.101 8.480 -13.670 1.00 0.00 C ATOM 21 C SER A 3 12.563 7.277 -14.491 1.00 0.00 C ATOM 22 O SER A 3 12.503 6.142 -14.005 1.00 0.00 O ATOM 23 CB SER A 3 13.111 8.713 -12.535 1.00 0.00 C ATOM 24 OG SER A 3 12.695 9.664 -11.568 1.00 0.00 O ATOM 0 H SER A 3 10.717 7.327 -12.620 1.00 0.00 H new ATOM 0 HA SER A 3 12.042 9.361 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.303 7.764 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.056 9.042 -12.967 1.00 0.00 H new ATOM 0 HG SER A 3 13.387 9.755 -10.880 1.00 0.00 H new ATOM 30 N GLY A 4 13.028 7.483 -15.727 1.00 0.00 N ATOM 31 CA GLY A 4 13.503 6.373 -16.538 1.00 0.00 C ATOM 32 C GLY A 4 13.488 6.656 -18.026 1.00 0.00 C ATOM 33 O GLY A 4 12.485 6.371 -18.688 1.00 0.00 O ATOM 0 H GLY A 4 13.083 8.397 -16.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.520 6.122 -16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.885 5.498 -16.337 1.00 0.00 H new ATOM 37 N SER A 5 14.587 7.183 -18.563 1.00 0.00 N ATOM 38 CA SER A 5 14.721 7.486 -19.983 1.00 0.00 C ATOM 39 C SER A 5 14.493 6.222 -20.814 1.00 0.00 C ATOM 40 O SER A 5 13.569 6.167 -21.627 1.00 0.00 O ATOM 41 CB SER A 5 16.111 8.078 -20.237 1.00 0.00 C ATOM 42 OG SER A 5 16.163 9.333 -19.593 1.00 0.00 O ATOM 0 H SER A 5 15.417 7.413 -18.017 1.00 0.00 H new ATOM 0 HA SER A 5 13.969 8.217 -20.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.886 7.416 -19.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.291 8.188 -21.306 1.00 0.00 H new ATOM 0 HG SER A 5 17.044 9.738 -19.736 1.00 0.00 H new ATOM 48 N SER A 6 15.303 5.197 -20.581 1.00 0.00 N ATOM 49 CA SER A 6 15.260 3.913 -21.259 1.00 0.00 C ATOM 50 C SER A 6 15.792 2.853 -20.289 1.00 0.00 C ATOM 51 O SER A 6 16.252 3.192 -19.192 1.00 0.00 O ATOM 52 CB SER A 6 16.081 4.014 -22.560 1.00 0.00 C ATOM 53 OG SER A 6 17.268 4.774 -22.389 1.00 0.00 O ATOM 0 H SER A 6 16.042 5.243 -19.880 1.00 0.00 H new ATOM 0 HA SER A 6 14.248 3.626 -21.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.340 3.012 -22.903 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.469 4.469 -23.339 1.00 0.00 H new ATOM 0 HG SER A 6 17.758 4.811 -23.237 1.00 0.00 H new ATOM 59 N GLY A 7 15.751 1.576 -20.673 1.00 0.00 N ATOM 60 CA GLY A 7 16.236 0.481 -19.848 1.00 0.00 C ATOM 61 C GLY A 7 15.348 0.239 -18.630 1.00 0.00 C ATOM 62 O GLY A 7 15.692 0.640 -17.518 1.00 0.00 O ATOM 0 H GLY A 7 15.376 1.276 -21.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.284 -0.429 -20.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.251 0.700 -19.517 1.00 0.00 H new ATOM 66 N PHE A 8 14.175 -0.361 -18.847 1.00 0.00 N ATOM 67 CA PHE A 8 13.226 -0.695 -17.793 1.00 0.00 C ATOM 68 C PHE A 8 13.259 -2.216 -17.721 1.00 0.00 C ATOM 69 O PHE A 8 12.791 -2.890 -18.642 1.00 0.00 O ATOM 70 CB PHE A 8 11.825 -0.137 -18.061 1.00 0.00 C ATOM 71 CG PHE A 8 10.918 -0.338 -16.861 1.00 0.00 C ATOM 72 CD1 PHE A 8 10.253 -1.565 -16.666 1.00 0.00 C ATOM 73 CD2 PHE A 8 10.813 0.672 -15.885 1.00 0.00 C ATOM 74 CE1 PHE A 8 9.498 -1.779 -15.499 1.00 0.00 C ATOM 75 CE2 PHE A 8 10.058 0.454 -14.719 1.00 0.00 C ATOM 76 CZ PHE A 8 9.404 -0.774 -14.521 1.00 0.00 C ATOM 0 H PHE A 8 13.857 -0.631 -19.778 1.00 0.00 H new ATOM 0 HA PHE A 8 13.497 -0.241 -16.840 1.00 0.00 H new ATOM 0 HB2 PHE A 8 11.892 0.925 -18.296 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.395 -0.630 -18.933 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.323 -2.342 -17.413 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.314 1.617 -16.033 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.988 -2.720 -15.354 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.981 1.232 -13.974 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.832 -0.945 -13.621 1.00 0.00 H new ATOM 86 N GLU A 9 13.862 -2.755 -16.667 1.00 0.00 N ATOM 87 CA GLU A 9 14.045 -4.181 -16.409 1.00 0.00 C ATOM 88 C GLU A 9 13.753 -4.475 -14.922 1.00 0.00 C ATOM 89 O GLU A 9 13.577 -3.518 -14.157 1.00 0.00 O ATOM 90 CB GLU A 9 15.506 -4.476 -16.816 1.00 0.00 C ATOM 91 CG GLU A 9 15.668 -4.612 -18.341 1.00 0.00 C ATOM 92 CD GLU A 9 17.128 -4.526 -18.773 1.00 0.00 C ATOM 93 OE1 GLU A 9 17.944 -5.353 -18.313 1.00 0.00 O ATOM 94 OE2 GLU A 9 17.478 -3.634 -19.581 1.00 0.00 O ATOM 0 H GLU A 9 14.259 -2.176 -15.927 1.00 0.00 H new ATOM 0 HA GLU A 9 13.366 -4.821 -16.972 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.151 -3.676 -16.454 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.837 -5.396 -16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.250 -5.565 -18.666 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.097 -3.827 -18.837 1.00 0.00 H new ATOM 101 N PRO A 10 13.640 -5.749 -14.483 1.00 0.00 N ATOM 102 CA PRO A 10 13.382 -6.090 -13.082 1.00 0.00 C ATOM 103 C PRO A 10 14.636 -5.825 -12.236 1.00 0.00 C ATOM 104 O PRO A 10 15.667 -5.387 -12.759 1.00 0.00 O ATOM 105 CB PRO A 10 13.005 -7.576 -13.093 1.00 0.00 C ATOM 106 CG PRO A 10 13.849 -8.121 -14.236 1.00 0.00 C ATOM 107 CD PRO A 10 13.806 -6.979 -15.252 1.00 0.00 C ATOM 0 HA PRO A 10 12.586 -5.489 -12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.242 -8.062 -12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.939 -7.723 -13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 10 14.868 -8.343 -13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.434 -9.043 -14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.723 -6.948 -15.841 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.982 -7.113 -15.953 1.00 0.00 H new ATOM 115 N ARG A 11 14.569 -6.091 -10.927 1.00 0.00 N ATOM 116 CA ARG A 11 15.699 -5.868 -10.035 1.00 0.00 C ATOM 117 C ARG A 11 15.641 -6.808 -8.830 1.00 0.00 C ATOM 118 O ARG A 11 15.054 -6.459 -7.807 1.00 0.00 O ATOM 119 CB ARG A 11 15.684 -4.379 -9.638 1.00 0.00 C ATOM 120 CG ARG A 11 16.980 -3.961 -8.943 1.00 0.00 C ATOM 121 CD ARG A 11 16.873 -2.548 -8.365 1.00 0.00 C ATOM 122 NE ARG A 11 16.566 -1.534 -9.385 1.00 0.00 N ATOM 123 CZ ARG A 11 17.391 -0.602 -9.864 1.00 0.00 C ATOM 124 NH1 ARG A 11 18.694 -0.644 -9.607 1.00 0.00 N ATOM 125 NH2 ARG A 11 16.895 0.392 -10.592 1.00 0.00 N ATOM 0 H ARG A 11 13.738 -6.462 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 11 16.642 -6.095 -10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.536 -3.767 -10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.839 -4.188 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.210 -4.666 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.806 -4.004 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.098 -2.532 -7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.811 -2.290 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 11 15.620 -1.545 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.077 -1.397 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.311 0.077 -9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.893 0.437 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.516 1.111 -10.964 1.00 0.00 H new ATOM 139 N SER A 12 16.207 -8.009 -8.924 1.00 0.00 N ATOM 140 CA SER A 12 16.254 -9.010 -7.859 1.00 0.00 C ATOM 141 C SER A 12 17.299 -10.057 -8.242 1.00 0.00 C ATOM 142 O SER A 12 17.001 -10.969 -9.015 1.00 0.00 O ATOM 143 CB SER A 12 14.880 -9.667 -7.661 1.00 0.00 C ATOM 144 OG SER A 12 13.996 -8.804 -6.969 1.00 0.00 O ATOM 0 H SER A 12 16.664 -8.325 -9.779 1.00 0.00 H new ATOM 0 HA SER A 12 16.524 -8.535 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.455 -9.927 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.995 -10.597 -7.104 1.00 0.00 H new ATOM 0 HG SER A 12 14.318 -7.881 -7.039 1.00 0.00 H new ATOM 150 N LEU A 13 18.536 -9.908 -7.754 1.00 0.00 N ATOM 151 CA LEU A 13 19.617 -10.844 -8.059 1.00 0.00 C ATOM 152 C LEU A 13 19.480 -12.106 -7.205 1.00 0.00 C ATOM 153 O LEU A 13 19.615 -13.216 -7.725 1.00 0.00 O ATOM 154 CB LEU A 13 21.001 -10.211 -7.817 1.00 0.00 C ATOM 155 CG LEU A 13 21.476 -9.252 -8.927 1.00 0.00 C ATOM 156 CD1 LEU A 13 20.758 -7.896 -8.898 1.00 0.00 C ATOM 157 CD2 LEU A 13 22.982 -9.007 -8.780 1.00 0.00 C ATOM 0 H LEU A 13 18.812 -9.140 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 13 19.538 -11.102 -9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 20.976 -9.667 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 13 21.736 -11.009 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 13 21.241 -9.732 -9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 13 21.137 -7.267 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.687 -8.049 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.940 -7.408 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 13 23.319 -8.329 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 13 23.185 -8.563 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 13 23.515 -9.954 -8.866 1.00 0.00 H new ATOM 169 N ILE A 14 19.218 -11.946 -5.904 1.00 0.00 N ATOM 170 CA ILE A 14 19.067 -13.039 -4.948 1.00 0.00 C ATOM 171 C ILE A 14 17.684 -12.921 -4.303 1.00 0.00 C ATOM 172 O ILE A 14 17.087 -11.844 -4.239 1.00 0.00 O ATOM 173 CB ILE A 14 20.267 -13.042 -3.960 1.00 0.00 C ATOM 174 CG1 ILE A 14 21.560 -13.409 -4.732 1.00 0.00 C ATOM 175 CG2 ILE A 14 20.077 -14.023 -2.784 1.00 0.00 C ATOM 176 CD1 ILE A 14 22.865 -13.194 -3.962 1.00 0.00 C ATOM 0 H ILE A 14 19.103 -11.026 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 14 19.100 -14.018 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 14 20.337 -12.042 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.501 -14.456 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.596 -12.819 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 14 20.948 -13.979 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.185 -13.747 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 14 19.964 -15.036 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 14 23.709 -13.480 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.957 -12.143 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.860 -13.805 -3.060 1.00 0.00 H new ATOM 188 N THR A 15 17.149 -14.061 -3.885 1.00 0.00 N ATOM 189 CA THR A 15 15.868 -14.251 -3.231 1.00 0.00 C ATOM 190 C THR A 15 15.912 -15.663 -2.636 1.00 0.00 C ATOM 191 O THR A 15 16.680 -16.506 -3.120 1.00 0.00 O ATOM 192 CB THR A 15 14.713 -14.039 -4.239 1.00 0.00 C ATOM 193 OG1 THR A 15 13.444 -14.375 -3.700 1.00 0.00 O ATOM 194 CG2 THR A 15 14.860 -14.821 -5.547 1.00 0.00 C ATOM 0 H THR A 15 17.642 -14.945 -4.006 1.00 0.00 H new ATOM 0 HA THR A 15 15.684 -13.526 -2.438 1.00 0.00 H new ATOM 0 HB THR A 15 14.776 -12.972 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.751 -14.222 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.007 -14.613 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.779 -14.519 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 15 14.899 -15.889 -5.330 1.00 0.00 H new ATOM 202 N SER A 16 15.064 -15.902 -1.631 1.00 0.00 N ATOM 203 CA SER A 16 14.810 -17.097 -0.831 1.00 0.00 C ATOM 204 C SER A 16 14.144 -16.687 0.482 1.00 0.00 C ATOM 205 O SER A 16 13.204 -17.363 0.897 1.00 0.00 O ATOM 206 CB SER A 16 16.051 -17.964 -0.564 1.00 0.00 C ATOM 207 OG SER A 16 16.388 -18.679 -1.738 1.00 0.00 O ATOM 0 H SER A 16 14.453 -15.148 -1.318 1.00 0.00 H new ATOM 0 HA SER A 16 14.148 -17.732 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.887 -17.336 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.854 -18.658 0.253 1.00 0.00 H new ATOM 0 HG SER A 16 16.682 -18.051 -2.431 1.00 0.00 H new ATOM 213 N ASP A 17 14.548 -15.586 1.128 1.00 0.00 N ATOM 214 CA ASP A 17 13.948 -15.149 2.393 1.00 0.00 C ATOM 215 C ASP A 17 14.001 -13.637 2.507 1.00 0.00 C ATOM 216 O ASP A 17 15.081 -13.049 2.519 1.00 0.00 O ATOM 217 CB ASP A 17 14.659 -15.755 3.610 1.00 0.00 C ATOM 218 CG ASP A 17 14.592 -17.276 3.654 1.00 0.00 C ATOM 219 OD1 ASP A 17 13.521 -17.815 4.024 1.00 0.00 O ATOM 220 OD2 ASP A 17 15.599 -17.936 3.309 1.00 0.00 O ATOM 0 H ASP A 17 15.294 -14.978 0.791 1.00 0.00 H new ATOM 0 HA ASP A 17 12.914 -15.495 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.704 -15.445 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.213 -15.353 4.520 1.00 0.00 H new ATOM 225 N LYS A 18 12.841 -12.997 2.646 1.00 0.00 N ATOM 226 CA LYS A 18 12.680 -11.557 2.768 1.00 0.00 C ATOM 227 C LYS A 18 11.692 -11.187 3.891 1.00 0.00 C ATOM 228 O LYS A 18 11.621 -10.016 4.260 1.00 0.00 O ATOM 229 CB LYS A 18 12.294 -11.052 1.372 1.00 0.00 C ATOM 230 CG LYS A 18 12.645 -9.584 1.174 1.00 0.00 C ATOM 231 CD LYS A 18 12.185 -9.123 -0.216 1.00 0.00 C ATOM 232 CE LYS A 18 12.959 -7.910 -0.735 1.00 0.00 C ATOM 233 NZ LYS A 18 12.891 -6.743 0.165 1.00 0.00 N ATOM 0 H LYS A 18 11.951 -13.494 2.678 1.00 0.00 H new ATOM 0 HA LYS A 18 13.600 -11.062 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.804 -11.651 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.224 -11.192 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.167 -8.979 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.721 -9.440 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.298 -9.947 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.123 -8.879 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.003 -8.189 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.567 -7.629 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.421 -5.951 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.898 -6.464 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.306 -6.990 1.086 1.00 0.00 H new ATOM 247 N GLY A 19 10.972 -12.158 4.466 1.00 0.00 N ATOM 248 CA GLY A 19 10.026 -11.987 5.564 1.00 0.00 C ATOM 249 C GLY A 19 8.705 -11.325 5.200 1.00 0.00 C ATOM 250 O GLY A 19 7.807 -11.980 4.668 1.00 0.00 O ATOM 0 H GLY A 19 11.040 -13.129 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.814 -12.967 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.505 -11.395 6.343 1.00 0.00 H new ATOM 254 N PHE A 20 8.547 -10.050 5.550 1.00 0.00 N ATOM 255 CA PHE A 20 7.354 -9.251 5.283 1.00 0.00 C ATOM 256 C PHE A 20 7.779 -8.019 4.498 1.00 0.00 C ATOM 257 O PHE A 20 8.954 -7.638 4.513 1.00 0.00 O ATOM 258 CB PHE A 20 6.641 -8.879 6.596 1.00 0.00 C ATOM 259 CG PHE A 20 5.500 -9.806 6.970 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.765 -11.049 7.572 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.168 -9.429 6.711 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.705 -11.911 7.902 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.108 -10.300 7.018 1.00 0.00 C ATOM 264 CZ PHE A 20 3.378 -11.545 7.611 1.00 0.00 C ATOM 0 H PHE A 20 9.271 -9.528 6.044 1.00 0.00 H new ATOM 0 HA PHE A 20 6.637 -9.822 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.372 -8.876 7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.256 -7.863 6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.783 -11.341 7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.959 -8.464 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.910 -12.857 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.090 -10.013 6.799 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.568 -12.220 7.843 1.00 0.00 H new ATOM 274 N VAL A 21 6.825 -7.352 3.859 1.00 0.00 N ATOM 275 CA VAL A 21 7.081 -6.170 3.058 1.00 0.00 C ATOM 276 C VAL A 21 5.940 -5.174 3.259 1.00 0.00 C ATOM 277 O VAL A 21 4.774 -5.557 3.390 1.00 0.00 O ATOM 278 CB VAL A 21 7.310 -6.638 1.604 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.182 -7.500 1.025 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.531 -5.480 0.636 1.00 0.00 C ATOM 0 H VAL A 21 5.842 -7.623 3.885 1.00 0.00 H new ATOM 0 HA VAL A 21 7.979 -5.630 3.357 1.00 0.00 H new ATOM 0 HB VAL A 21 8.210 -7.247 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.428 -7.782 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.063 -8.399 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.251 -6.933 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.686 -5.871 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.657 -4.829 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.408 -4.911 0.944 1.00 0.00 H new ATOM 290 N THR A 22 6.285 -3.891 3.321 1.00 0.00 N ATOM 291 CA THR A 22 5.334 -2.806 3.500 1.00 0.00 C ATOM 292 C THR A 22 4.921 -2.315 2.109 1.00 0.00 C ATOM 293 O THR A 22 5.741 -2.248 1.194 1.00 0.00 O ATOM 294 CB THR A 22 5.971 -1.698 4.356 1.00 0.00 C ATOM 295 OG1 THR A 22 6.661 -2.260 5.467 1.00 0.00 O ATOM 296 CG2 THR A 22 4.964 -0.678 4.889 1.00 0.00 C ATOM 0 H THR A 22 7.252 -3.574 3.247 1.00 0.00 H new ATOM 0 HA THR A 22 4.441 -3.135 4.031 1.00 0.00 H new ATOM 0 HB THR A 22 6.656 -1.176 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.237 -3.106 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.486 0.072 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.460 -0.193 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.227 -1.185 5.511 1.00 0.00 H new ATOM 304 N MET A 23 3.646 -1.986 1.954 1.00 0.00 N ATOM 305 CA MET A 23 2.983 -1.499 0.757 1.00 0.00 C ATOM 306 C MET A 23 2.456 -0.099 1.044 1.00 0.00 C ATOM 307 O MET A 23 2.207 0.246 2.200 1.00 0.00 O ATOM 308 CB MET A 23 1.805 -2.436 0.452 1.00 0.00 C ATOM 309 CG MET A 23 2.212 -3.632 -0.405 1.00 0.00 C ATOM 310 SD MET A 23 2.291 -3.207 -2.158 1.00 0.00 S ATOM 311 CE MET A 23 2.353 -4.858 -2.884 1.00 0.00 C ATOM 0 H MET A 23 2.993 -2.061 2.734 1.00 0.00 H new ATOM 0 HA MET A 23 3.667 -1.472 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.378 -2.794 1.389 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.023 -1.876 -0.061 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.184 -4.000 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.498 -4.443 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.055 -4.863 -3.718 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.679 -5.575 -2.130 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.362 -5.135 -3.243 1.00 0.00 H new ATOM 321 N THR A 24 2.288 0.718 0.008 1.00 0.00 N ATOM 322 CA THR A 24 1.777 2.081 0.092 1.00 0.00 C ATOM 323 C THR A 24 0.738 2.248 -1.017 1.00 0.00 C ATOM 324 O THR A 24 0.770 1.545 -2.031 1.00 0.00 O ATOM 325 CB THR A 24 2.942 3.084 0.015 1.00 0.00 C ATOM 326 OG1 THR A 24 3.915 2.735 0.983 1.00 0.00 O ATOM 327 CG2 THR A 24 2.560 4.519 0.335 1.00 0.00 C ATOM 0 H THR A 24 2.512 0.438 -0.947 1.00 0.00 H new ATOM 0 HA THR A 24 1.287 2.280 1.045 1.00 0.00 H new ATOM 0 HB THR A 24 3.293 3.033 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.486 3.510 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.441 5.156 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.802 4.860 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.163 4.572 1.349 1.00 0.00 H new ATOM 335 N LEU A 25 -0.216 3.149 -0.806 1.00 0.00 N ATOM 336 CA LEU A 25 -1.292 3.453 -1.723 1.00 0.00 C ATOM 337 C LEU A 25 -1.462 4.968 -1.671 1.00 0.00 C ATOM 338 O LEU A 25 -1.774 5.487 -0.599 1.00 0.00 O ATOM 339 CB LEU A 25 -2.533 2.667 -1.279 1.00 0.00 C ATOM 340 CG LEU A 25 -3.632 2.701 -2.344 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.346 1.758 -3.518 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.973 2.298 -1.729 1.00 0.00 C ATOM 0 H LEU A 25 -0.256 3.707 0.047 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.102 3.161 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.256 1.633 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.915 3.085 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.663 3.723 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.158 1.823 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.409 2.045 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.268 0.734 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.748 2.326 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.899 1.289 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.229 2.992 -0.929 1.00 0.00 H new ATOM 354 N GLU A 26 -1.205 5.665 -2.776 1.00 0.00 N ATOM 355 CA GLU A 26 -1.281 7.125 -2.880 1.00 0.00 C ATOM 356 C GLU A 26 -2.613 7.577 -3.499 1.00 0.00 C ATOM 357 O GLU A 26 -2.997 7.106 -4.578 1.00 0.00 O ATOM 358 CB GLU A 26 -0.042 7.644 -3.636 1.00 0.00 C ATOM 359 CG GLU A 26 1.267 7.225 -2.929 1.00 0.00 C ATOM 360 CD GLU A 26 2.519 7.899 -3.498 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.659 9.133 -3.358 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.423 7.210 -4.037 1.00 0.00 O ATOM 0 H GLU A 26 -0.930 5.218 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.268 7.568 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.047 7.257 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.087 8.731 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.188 7.462 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.381 6.144 -3.006 1.00 0.00 H new ATOM 369 N SER A 27 -3.317 8.468 -2.793 1.00 0.00 N ATOM 370 CA SER A 27 -4.613 9.042 -3.145 1.00 0.00 C ATOM 371 C SER A 27 -4.525 10.284 -4.041 1.00 0.00 C ATOM 372 O SER A 27 -3.498 10.967 -4.088 1.00 0.00 O ATOM 373 CB SER A 27 -5.300 9.526 -1.856 1.00 0.00 C ATOM 374 OG SER A 27 -5.208 8.617 -0.777 1.00 0.00 O ATOM 0 H SER A 27 -2.971 8.828 -1.904 1.00 0.00 H new ATOM 0 HA SER A 27 -5.149 8.256 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.857 10.476 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.352 9.717 -2.067 1.00 0.00 H new ATOM 0 HG SER A 27 -5.720 7.808 -0.986 1.00 0.00 H new ATOM 380 N LEU A 28 -5.640 10.616 -4.703 1.00 0.00 N ATOM 381 CA LEU A 28 -5.739 11.796 -5.557 1.00 0.00 C ATOM 382 C LEU A 28 -6.072 13.010 -4.683 1.00 0.00 C ATOM 383 O LEU A 28 -5.686 14.125 -5.031 1.00 0.00 O ATOM 384 CB LEU A 28 -6.849 11.650 -6.617 1.00 0.00 C ATOM 385 CG LEU A 28 -6.473 10.890 -7.900 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.683 10.856 -8.841 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.293 11.547 -8.635 1.00 0.00 C ATOM 0 H LEU A 28 -6.500 10.069 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.785 11.918 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.697 11.144 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.187 12.648 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.175 9.882 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.421 10.318 -9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.513 10.351 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.976 11.875 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.062 10.977 -9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.559 12.568 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.421 11.563 -7.982 1.00 0.00 H new ATOM 399 N GLU A 29 -6.777 12.808 -3.568 1.00 0.00 N ATOM 400 CA GLU A 29 -7.197 13.833 -2.621 1.00 0.00 C ATOM 401 C GLU A 29 -7.137 13.274 -1.199 1.00 0.00 C ATOM 402 O GLU A 29 -6.896 12.084 -0.988 1.00 0.00 O ATOM 403 CB GLU A 29 -8.637 14.276 -2.957 1.00 0.00 C ATOM 404 CG GLU A 29 -8.693 15.622 -3.686 1.00 0.00 C ATOM 405 CD GLU A 29 -8.578 16.841 -2.764 1.00 0.00 C ATOM 406 OE1 GLU A 29 -7.971 16.754 -1.668 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.115 17.913 -3.130 1.00 0.00 O ATOM 0 H GLU A 29 -7.084 11.876 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.531 14.693 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.111 13.514 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.215 14.344 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.888 15.659 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.631 15.685 -4.238 1.00 0.00 H new ATOM 414 N GLU A 30 -7.350 14.148 -0.218 1.00 0.00 N ATOM 415 CA GLU A 30 -7.351 13.814 1.196 1.00 0.00 C ATOM 416 C GLU A 30 -8.560 12.914 1.485 1.00 0.00 C ATOM 417 O GLU A 30 -9.568 12.969 0.765 1.00 0.00 O ATOM 418 CB GLU A 30 -7.394 15.125 1.996 1.00 0.00 C ATOM 419 CG GLU A 30 -6.766 14.976 3.381 1.00 0.00 C ATOM 420 CD GLU A 30 -6.865 16.284 4.164 1.00 0.00 C ATOM 421 OE1 GLU A 30 -5.995 17.169 4.008 1.00 0.00 O ATOM 422 OE2 GLU A 30 -7.807 16.428 4.981 1.00 0.00 O ATOM 0 H GLU A 30 -7.532 15.136 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.454 13.267 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.869 15.904 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.429 15.451 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.269 14.179 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.720 14.684 3.282 1.00 0.00 H new ATOM 429 N ILE A 31 -8.482 12.122 2.553 1.00 0.00 N ATOM 430 CA ILE A 31 -9.519 11.181 2.980 1.00 0.00 C ATOM 431 C ILE A 31 -10.001 11.476 4.404 1.00 0.00 C ATOM 432 O ILE A 31 -9.374 12.259 5.120 1.00 0.00 O ATOM 433 CB ILE A 31 -9.006 9.737 2.792 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.691 9.476 3.559 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.837 9.458 1.289 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.306 7.993 3.639 1.00 0.00 C ATOM 0 H ILE A 31 -7.667 12.117 3.167 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.402 11.303 2.352 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.743 9.052 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.884 10.026 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.786 9.872 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.475 8.440 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.797 9.575 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.119 10.161 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.372 7.889 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.094 7.440 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.178 7.596 2.632 1.00 0.00 H new ATOM 448 N GLN A 32 -11.114 10.848 4.803 1.00 0.00 N ATOM 449 CA GLN A 32 -11.732 11.016 6.118 1.00 0.00 C ATOM 450 C GLN A 32 -10.917 10.350 7.235 1.00 0.00 C ATOM 451 O GLN A 32 -10.761 10.944 8.299 1.00 0.00 O ATOM 452 CB GLN A 32 -13.157 10.428 6.116 1.00 0.00 C ATOM 453 CG GLN A 32 -14.098 11.007 5.045 1.00 0.00 C ATOM 454 CD GLN A 32 -15.471 10.341 5.122 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.733 9.325 4.471 1.00 0.00 O ATOM 456 NE2 GLN A 32 -16.368 10.866 5.934 1.00 0.00 N ATOM 0 H GLN A 32 -11.619 10.195 4.204 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.766 12.087 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.089 9.350 5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.603 10.592 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.201 12.083 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.669 10.855 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.143 11.705 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.287 10.433 6.028 1.00 0.00 H new ATOM 465 N ASP A 33 -10.492 9.097 7.032 1.00 0.00 N ATOM 466 CA ASP A 33 -9.696 8.244 7.928 1.00 0.00 C ATOM 467 C ASP A 33 -9.435 6.922 7.169 1.00 0.00 C ATOM 468 O ASP A 33 -9.873 6.790 6.017 1.00 0.00 O ATOM 469 CB ASP A 33 -10.400 7.990 9.280 1.00 0.00 C ATOM 470 CG ASP A 33 -9.389 7.664 10.385 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.942 6.497 10.458 1.00 0.00 O ATOM 472 OD2 ASP A 33 -9.040 8.551 11.194 1.00 0.00 O ATOM 0 H ASP A 33 -10.714 8.611 6.163 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.760 8.741 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.978 8.870 9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.105 7.166 9.175 1.00 0.00 H new ATOM 477 N VAL A 34 -8.762 5.926 7.767 1.00 0.00 N ATOM 478 CA VAL A 34 -8.454 4.641 7.124 1.00 0.00 C ATOM 479 C VAL A 34 -9.695 3.913 6.603 1.00 0.00 C ATOM 480 O VAL A 34 -9.583 3.152 5.641 1.00 0.00 O ATOM 481 CB VAL A 34 -7.593 3.713 8.013 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.207 4.305 8.288 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.216 3.299 9.350 1.00 0.00 C ATOM 0 H VAL A 34 -8.413 5.993 8.723 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.853 4.902 6.253 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.519 2.808 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.637 3.620 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.682 4.455 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.315 5.261 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.525 2.650 9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.419 4.188 9.947 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.148 2.764 9.167 1.00 0.00 H new ATOM 493 N SER A 35 -10.878 4.168 7.174 1.00 0.00 N ATOM 494 CA SER A 35 -12.130 3.552 6.756 1.00 0.00 C ATOM 495 C SER A 35 -12.343 3.728 5.240 1.00 0.00 C ATOM 496 O SER A 35 -12.877 2.821 4.596 1.00 0.00 O ATOM 497 CB SER A 35 -13.271 4.146 7.591 1.00 0.00 C ATOM 498 OG SER A 35 -14.496 3.495 7.320 1.00 0.00 O ATOM 0 H SER A 35 -10.988 4.819 7.951 1.00 0.00 H new ATOM 0 HA SER A 35 -12.104 2.477 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.035 4.055 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.367 5.210 7.376 1.00 0.00 H new ATOM 0 HG SER A 35 -15.206 3.892 7.867 1.00 0.00 H new ATOM 504 N CYS A 36 -11.929 4.870 4.671 1.00 0.00 N ATOM 505 CA CYS A 36 -12.053 5.154 3.246 1.00 0.00 C ATOM 506 C CYS A 36 -11.322 4.069 2.451 1.00 0.00 C ATOM 507 O CYS A 36 -11.921 3.376 1.630 1.00 0.00 O ATOM 508 CB CYS A 36 -11.451 6.535 2.934 1.00 0.00 C ATOM 509 SG CYS A 36 -12.541 7.869 3.491 1.00 0.00 S ATOM 0 H CYS A 36 -11.495 5.627 5.199 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.106 5.160 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.480 6.629 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.280 6.626 1.861 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.757 7.421 3.596 1.00 0.00 H new ATOM 515 N ALA A 37 -10.016 3.934 2.699 1.00 0.00 N ATOM 516 CA ALA A 37 -9.180 2.959 2.021 1.00 0.00 C ATOM 517 C ALA A 37 -9.661 1.531 2.282 1.00 0.00 C ATOM 518 O ALA A 37 -9.688 0.712 1.367 1.00 0.00 O ATOM 519 CB ALA A 37 -7.720 3.149 2.436 1.00 0.00 C ATOM 0 H ALA A 37 -9.514 4.504 3.380 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.256 3.122 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.098 2.415 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.393 4.153 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.628 3.015 3.514 1.00 0.00 H new ATOM 525 N TRP A 38 -10.089 1.209 3.504 1.00 0.00 N ATOM 526 CA TRP A 38 -10.566 -0.132 3.817 1.00 0.00 C ATOM 527 C TRP A 38 -11.740 -0.539 2.916 1.00 0.00 C ATOM 528 O TRP A 38 -11.741 -1.647 2.366 1.00 0.00 O ATOM 529 CB TRP A 38 -10.931 -0.235 5.306 1.00 0.00 C ATOM 530 CG TRP A 38 -9.818 -0.670 6.207 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.324 0.010 7.265 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.069 -1.920 6.154 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.335 -0.735 7.878 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.123 -1.929 7.220 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.101 -3.051 5.307 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.247 -3.005 7.425 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.225 -4.134 5.505 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.304 -4.113 6.560 1.00 0.00 C ATOM 0 H TRP A 38 -10.114 1.860 4.289 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.758 -0.836 3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.291 0.737 5.643 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.759 -0.936 5.413 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.653 0.988 7.583 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.826 -0.440 8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.810 -3.084 4.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.536 -2.983 8.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.263 -4.985 4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.637 -4.949 6.710 1.00 0.00 H new ATOM 549 N LYS A 39 -12.750 0.325 2.750 1.00 0.00 N ATOM 550 CA LYS A 39 -13.917 0.006 1.915 1.00 0.00 C ATOM 551 C LYS A 39 -13.585 -0.021 0.424 1.00 0.00 C ATOM 552 O LYS A 39 -14.338 -0.621 -0.343 1.00 0.00 O ATOM 553 CB LYS A 39 -15.085 0.955 2.231 1.00 0.00 C ATOM 554 CG LYS A 39 -15.540 0.736 3.682 1.00 0.00 C ATOM 555 CD LYS A 39 -16.796 1.518 4.061 1.00 0.00 C ATOM 556 CE LYS A 39 -16.906 1.467 5.588 1.00 0.00 C ATOM 557 NZ LYS A 39 -18.128 2.116 6.097 1.00 0.00 N ATOM 0 H LYS A 39 -12.783 1.249 3.182 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.229 -1.008 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.776 1.990 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.913 0.771 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.725 -0.327 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.730 1.021 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.729 2.549 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.679 1.080 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.890 0.427 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.034 1.952 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.149 2.051 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.134 3.116 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.964 1.639 5.703 1.00 0.00 H new ATOM 571 N GLU A 40 -12.485 0.598 0.004 1.00 0.00 N ATOM 572 CA GLU A 40 -12.027 0.628 -1.382 1.00 0.00 C ATOM 573 C GLU A 40 -11.261 -0.672 -1.647 1.00 0.00 C ATOM 574 O GLU A 40 -11.527 -1.362 -2.628 1.00 0.00 O ATOM 575 CB GLU A 40 -11.142 1.873 -1.550 1.00 0.00 C ATOM 576 CG GLU A 40 -10.489 2.012 -2.926 1.00 0.00 C ATOM 577 CD GLU A 40 -11.469 2.140 -4.091 1.00 0.00 C ATOM 578 OE1 GLU A 40 -12.504 2.835 -3.963 1.00 0.00 O ATOM 579 OE2 GLU A 40 -11.151 1.614 -5.180 1.00 0.00 O ATOM 0 H GLU A 40 -11.869 1.108 0.638 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.846 0.691 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.746 2.760 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.359 1.851 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.840 2.888 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.852 1.145 -3.099 1.00 0.00 H new ATOM 586 N LEU A 41 -10.350 -1.065 -0.749 1.00 0.00 N ATOM 587 CA LEU A 41 -9.572 -2.295 -0.886 1.00 0.00 C ATOM 588 C LEU A 41 -10.524 -3.486 -1.004 1.00 0.00 C ATOM 589 O LEU A 41 -10.333 -4.339 -1.860 1.00 0.00 O ATOM 590 CB LEU A 41 -8.658 -2.507 0.328 1.00 0.00 C ATOM 591 CG LEU A 41 -7.413 -1.609 0.420 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.826 -1.762 1.823 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.332 -1.999 -0.583 1.00 0.00 C ATOM 0 H LEU A 41 -10.133 -0.535 0.095 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.954 -2.211 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.251 -2.360 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.329 -3.546 0.329 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.721 -0.586 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.940 -1.135 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.566 -1.457 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.553 -2.804 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.477 -1.332 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.017 -3.026 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.728 -1.918 -1.595 1.00 0.00 H new ATOM 605 N ASN A 42 -11.581 -3.528 -0.182 1.00 0.00 N ATOM 606 CA ASN A 42 -12.573 -4.611 -0.193 1.00 0.00 C ATOM 607 C ASN A 42 -13.318 -4.746 -1.532 1.00 0.00 C ATOM 608 O ASN A 42 -13.970 -5.767 -1.751 1.00 0.00 O ATOM 609 CB ASN A 42 -13.575 -4.445 0.965 1.00 0.00 C ATOM 610 CG ASN A 42 -13.061 -5.091 2.244 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.287 -6.271 2.491 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.322 -4.366 3.068 1.00 0.00 N ATOM 0 H ASN A 42 -11.773 -2.807 0.514 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.012 -5.536 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.758 -3.385 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.530 -4.892 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.937 -4.788 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.137 -3.385 2.858 1.00 0.00 H new ATOM 619 N ARG A 43 -13.260 -3.731 -2.406 1.00 0.00 N ATOM 620 CA ARG A 43 -13.893 -3.710 -3.727 1.00 0.00 C ATOM 621 C ARG A 43 -12.906 -4.118 -4.815 1.00 0.00 C ATOM 622 O ARG A 43 -13.283 -4.770 -5.785 1.00 0.00 O ATOM 623 CB ARG A 43 -14.355 -2.277 -4.058 1.00 0.00 C ATOM 624 CG ARG A 43 -15.576 -1.792 -3.282 1.00 0.00 C ATOM 625 CD ARG A 43 -16.840 -2.523 -3.724 1.00 0.00 C ATOM 626 NE ARG A 43 -18.047 -1.736 -3.431 1.00 0.00 N ATOM 627 CZ ARG A 43 -19.193 -1.835 -4.115 1.00 0.00 C ATOM 628 NH1 ARG A 43 -19.371 -2.844 -4.962 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.149 -0.922 -3.954 1.00 0.00 N ATOM 0 H ARG A 43 -12.751 -2.871 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.731 -4.406 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.528 -1.593 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.576 -2.221 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.417 -1.948 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.702 -0.720 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.788 -2.728 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.901 -3.486 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.008 -1.072 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.636 -3.539 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.243 -2.923 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.009 -0.145 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.022 -1.000 -4.476 1.00 0.00 H new ATOM 643 N LYS A 44 -11.645 -3.708 -4.684 1.00 0.00 N ATOM 644 CA LYS A 44 -10.599 -3.994 -5.661 1.00 0.00 C ATOM 645 C LYS A 44 -9.798 -5.255 -5.345 1.00 0.00 C ATOM 646 O LYS A 44 -8.867 -5.550 -6.084 1.00 0.00 O ATOM 647 CB LYS A 44 -9.693 -2.758 -5.789 1.00 0.00 C ATOM 648 CG LYS A 44 -10.420 -1.467 -6.211 1.00 0.00 C ATOM 649 CD LYS A 44 -11.198 -1.619 -7.527 1.00 0.00 C ATOM 650 CE LYS A 44 -11.637 -0.288 -8.145 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.498 0.521 -7.259 1.00 0.00 N ATOM 0 H LYS A 44 -11.319 -3.162 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.078 -4.204 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.200 -2.585 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.910 -2.972 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.109 -1.169 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.691 -0.664 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.577 -2.155 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.080 -2.234 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.751 0.292 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.171 -0.487 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.147 1.095 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.049 -0.108 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.906 1.147 -6.677 1.00 0.00 H new ATOM 665 N LEU A 45 -10.114 -5.990 -4.277 1.00 0.00 N ATOM 666 CA LEU A 45 -9.427 -7.217 -3.872 1.00 0.00 C ATOM 667 C LEU A 45 -10.461 -8.235 -3.399 1.00 0.00 C ATOM 668 O LEU A 45 -11.651 -7.915 -3.300 1.00 0.00 O ATOM 669 CB LEU A 45 -8.436 -6.930 -2.725 1.00 0.00 C ATOM 670 CG LEU A 45 -7.284 -5.977 -3.084 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.504 -5.647 -1.809 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.358 -6.599 -4.133 1.00 0.00 C ATOM 0 H LEU A 45 -10.879 -5.739 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.873 -7.609 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.988 -6.508 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.013 -7.875 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.695 -5.064 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.683 -4.971 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.169 -5.169 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.104 -6.565 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.553 -5.902 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.935 -7.524 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.926 -6.814 -5.038 1.00 0.00 H new ATOM 684 N SER A 46 -10.013 -9.457 -3.111 1.00 0.00 N ATOM 685 CA SER A 46 -10.868 -10.531 -2.619 1.00 0.00 C ATOM 686 C SER A 46 -10.966 -10.411 -1.097 1.00 0.00 C ATOM 687 O SER A 46 -10.008 -9.966 -0.458 1.00 0.00 O ATOM 688 CB SER A 46 -10.266 -11.886 -3.001 1.00 0.00 C ATOM 689 OG SER A 46 -10.168 -11.989 -4.404 1.00 0.00 O ATOM 0 H SER A 46 -9.036 -9.729 -3.215 1.00 0.00 H new ATOM 0 HA SER A 46 -11.861 -10.455 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.280 -11.996 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.887 -12.693 -2.611 1.00 0.00 H new ATOM 0 HG SER A 46 -9.781 -12.857 -4.642 1.00 0.00 H new ATOM 695 N SER A 47 -12.057 -10.886 -0.491 1.00 0.00 N ATOM 696 CA SER A 47 -12.249 -10.812 0.956 1.00 0.00 C ATOM 697 C SER A 47 -11.115 -11.536 1.709 1.00 0.00 C ATOM 698 O SER A 47 -10.669 -11.057 2.755 1.00 0.00 O ATOM 699 CB SER A 47 -13.637 -11.341 1.349 1.00 0.00 C ATOM 700 OG SER A 47 -14.628 -11.127 0.350 1.00 0.00 O ATOM 0 H SER A 47 -12.828 -11.331 -0.989 1.00 0.00 H new ATOM 0 HA SER A 47 -12.205 -9.764 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.565 -12.409 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.953 -10.858 2.273 1.00 0.00 H new ATOM 0 HG SER A 47 -15.486 -11.486 0.658 1.00 0.00 H new ATOM 706 N ASN A 48 -10.610 -12.655 1.173 1.00 0.00 N ATOM 707 CA ASN A 48 -9.516 -13.406 1.795 1.00 0.00 C ATOM 708 C ASN A 48 -8.210 -12.630 1.636 1.00 0.00 C ATOM 709 O ASN A 48 -7.519 -12.395 2.624 1.00 0.00 O ATOM 710 CB ASN A 48 -9.329 -14.794 1.169 1.00 0.00 C ATOM 711 CG ASN A 48 -10.258 -15.847 1.754 1.00 0.00 C ATOM 712 OD1 ASN A 48 -10.249 -16.106 2.951 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.988 -16.568 0.921 1.00 0.00 N ATOM 0 H ASN A 48 -10.947 -13.062 0.301 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.775 -13.536 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.499 -14.726 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.296 -15.112 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.547 -17.344 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.992 -16.348 -0.075 1.00 0.00 H new ATOM 720 N ALA A 49 -7.875 -12.213 0.408 1.00 0.00 N ATOM 721 CA ALA A 49 -6.647 -11.474 0.119 1.00 0.00 C ATOM 722 C ALA A 49 -6.556 -10.195 0.947 1.00 0.00 C ATOM 723 O ALA A 49 -5.509 -9.909 1.520 1.00 0.00 O ATOM 724 CB ALA A 49 -6.535 -11.142 -1.373 1.00 0.00 C ATOM 0 H ALA A 49 -8.454 -12.382 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.814 -12.121 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.611 -10.593 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.528 -12.066 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.386 -10.531 -1.675 1.00 0.00 H new ATOM 730 N VAL A 50 -7.643 -9.427 1.050 1.00 0.00 N ATOM 731 CA VAL A 50 -7.617 -8.190 1.818 1.00 0.00 C ATOM 732 C VAL A 50 -7.406 -8.472 3.319 1.00 0.00 C ATOM 733 O VAL A 50 -6.909 -7.607 4.037 1.00 0.00 O ATOM 734 CB VAL A 50 -8.855 -7.331 1.482 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.097 -7.697 2.290 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.577 -5.842 1.684 1.00 0.00 C ATOM 0 H VAL A 50 -8.541 -9.640 0.615 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.755 -7.589 1.529 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.058 -7.544 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.925 -7.050 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.363 -8.736 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.892 -7.566 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.471 -5.268 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.304 -5.661 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.758 -5.533 1.035 1.00 0.00 H new ATOM 746 N SER A 51 -7.778 -9.664 3.806 1.00 0.00 N ATOM 747 CA SER A 51 -7.617 -10.055 5.205 1.00 0.00 C ATOM 748 C SER A 51 -6.160 -10.428 5.531 1.00 0.00 C ATOM 749 O SER A 51 -5.818 -10.554 6.708 1.00 0.00 O ATOM 750 CB SER A 51 -8.562 -11.219 5.535 1.00 0.00 C ATOM 751 OG SER A 51 -9.927 -10.882 5.306 1.00 0.00 O ATOM 0 H SER A 51 -8.204 -10.389 3.229 1.00 0.00 H new ATOM 0 HA SER A 51 -7.876 -9.197 5.826 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.296 -12.085 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.430 -11.508 6.578 1.00 0.00 H new ATOM 0 HG SER A 51 -10.208 -11.231 4.435 1.00 0.00 H new ATOM 757 N GLN A 52 -5.304 -10.632 4.517 1.00 0.00 N ATOM 758 CA GLN A 52 -3.892 -10.975 4.703 1.00 0.00 C ATOM 759 C GLN A 52 -3.114 -9.740 5.199 1.00 0.00 C ATOM 760 O GLN A 52 -2.089 -9.875 5.870 1.00 0.00 O ATOM 761 CB GLN A 52 -3.266 -11.376 3.349 1.00 0.00 C ATOM 762 CG GLN A 52 -3.896 -12.512 2.521 1.00 0.00 C ATOM 763 CD GLN A 52 -3.472 -13.909 2.958 1.00 0.00 C ATOM 764 OE1 GLN A 52 -3.717 -14.310 4.093 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.880 -14.703 2.084 1.00 0.00 N ATOM 0 H GLN A 52 -5.579 -10.562 3.537 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.835 -11.793 5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.252 -10.485 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.228 -11.649 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.981 -12.436 2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.630 -12.374 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.679 -14.365 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.624 -15.654 2.350 1.00 0.00 H new ATOM 774 N ILE A 53 -3.596 -8.549 4.824 1.00 0.00 N ATOM 775 CA ILE A 53 -3.035 -7.242 5.131 1.00 0.00 C ATOM 776 C ILE A 53 -3.131 -6.928 6.629 1.00 0.00 C ATOM 777 O ILE A 53 -4.102 -7.294 7.306 1.00 0.00 O ATOM 778 CB ILE A 53 -3.765 -6.174 4.271 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.686 -6.435 2.745 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.168 -4.793 4.557 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.705 -5.633 1.924 1.00 0.00 C ATOM 0 H ILE A 53 -4.444 -8.476 4.262 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.973 -7.235 4.886 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.817 -6.227 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.682 -6.193 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.840 -7.498 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.680 -4.043 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.292 -4.555 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.107 -4.797 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.587 -5.870 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.714 -5.892 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.538 -4.567 2.078 1.00 0.00 H new ATOM 793 N THR A 54 -2.154 -6.174 7.144 1.00 0.00 N ATOM 794 CA THR A 54 -2.104 -5.777 8.539 1.00 0.00 C ATOM 795 C THR A 54 -1.451 -4.396 8.708 1.00 0.00 C ATOM 796 O THR A 54 -0.839 -3.868 7.783 1.00 0.00 O ATOM 797 CB THR A 54 -1.413 -6.919 9.305 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.689 -6.892 10.693 1.00 0.00 O ATOM 799 CG2 THR A 54 0.102 -6.974 9.075 1.00 0.00 C ATOM 0 H THR A 54 -1.372 -5.823 6.591 1.00 0.00 H new ATOM 0 HA THR A 54 -3.100 -5.638 8.959 1.00 0.00 H new ATOM 0 HB THR A 54 -1.845 -7.829 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.229 -7.637 11.133 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.527 -7.801 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.304 -7.122 8.014 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.554 -6.038 9.404 1.00 0.00 H new ATOM 807 N ARG A 55 -1.565 -3.820 9.911 1.00 0.00 N ATOM 808 CA ARG A 55 -1.011 -2.518 10.318 1.00 0.00 C ATOM 809 C ARG A 55 -1.297 -1.377 9.327 1.00 0.00 C ATOM 810 O ARG A 55 -0.390 -0.634 8.950 1.00 0.00 O ATOM 811 CB ARG A 55 0.497 -2.682 10.606 1.00 0.00 C ATOM 812 CG ARG A 55 0.799 -3.477 11.883 1.00 0.00 C ATOM 813 CD ARG A 55 0.761 -2.569 13.118 1.00 0.00 C ATOM 814 NE ARG A 55 1.085 -3.311 14.345 1.00 0.00 N ATOM 815 CZ ARG A 55 0.241 -4.073 15.049 1.00 0.00 C ATOM 816 NH1 ARG A 55 -1.051 -4.104 14.738 1.00 0.00 N ATOM 817 NH2 ARG A 55 0.700 -4.814 16.044 1.00 0.00 N ATOM 0 H ARG A 55 -2.074 -4.273 10.670 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.525 -2.210 11.228 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.967 -3.181 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.952 -1.695 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.071 -4.281 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.780 -3.944 11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.468 -1.750 12.990 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.229 -2.123 13.212 1.00 0.00 H new ATOM 0 HE ARG A 55 2.042 -3.238 14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.402 -3.545 13.960 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.692 -4.686 15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.694 -4.803 16.272 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.060 -5.397 16.583 1.00 0.00 H new ATOM 831 N MET A 56 -2.548 -1.226 8.883 1.00 0.00 N ATOM 832 CA MET A 56 -2.887 -0.152 7.958 1.00 0.00 C ATOM 833 C MET A 56 -2.922 1.188 8.694 1.00 0.00 C ATOM 834 O MET A 56 -3.708 1.327 9.633 1.00 0.00 O ATOM 835 CB MET A 56 -4.235 -0.385 7.261 1.00 0.00 C ATOM 836 CG MET A 56 -4.425 0.668 6.153 1.00 0.00 C ATOM 837 SD MET A 56 -6.134 1.150 5.824 1.00 0.00 S ATOM 838 CE MET A 56 -6.374 0.389 4.215 1.00 0.00 C ATOM 0 H MET A 56 -3.329 -1.826 9.147 1.00 0.00 H new ATOM 0 HA MET A 56 -2.113 -0.138 7.191 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.268 -1.388 6.835 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.048 -0.319 7.984 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.860 1.560 6.423 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.991 0.282 5.231 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.429 0.437 3.944 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.783 0.921 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.056 -0.653 4.254 1.00 0.00 H new ATOM 848 N CYS A 57 -2.073 2.144 8.311 1.00 0.00 N ATOM 849 CA CYS A 57 -2.019 3.482 8.896 1.00 0.00 C ATOM 850 C CYS A 57 -2.085 4.568 7.814 1.00 0.00 C ATOM 851 O CYS A 57 -1.784 4.333 6.642 1.00 0.00 O ATOM 852 CB CYS A 57 -0.771 3.635 9.767 1.00 0.00 C ATOM 853 SG CYS A 57 -1.048 2.858 11.374 1.00 0.00 S ATOM 0 H CYS A 57 -1.389 2.004 7.568 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.894 3.610 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.086 3.177 9.274 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.536 4.691 9.899 1.00 0.00 H new ATOM 0 HG CYS A 57 0.016 2.989 12.109 1.00 0.00 H new ATOM 859 N LEU A 58 -2.447 5.787 8.229 1.00 0.00 N ATOM 860 CA LEU A 58 -2.562 6.975 7.378 1.00 0.00 C ATOM 861 C LEU A 58 -1.176 7.545 7.103 1.00 0.00 C ATOM 862 O LEU A 58 -0.357 7.566 8.030 1.00 0.00 O ATOM 863 CB LEU A 58 -3.344 8.086 8.113 1.00 0.00 C ATOM 864 CG LEU A 58 -4.802 7.739 8.452 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.403 8.759 9.422 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.649 7.650 7.179 1.00 0.00 C ATOM 0 H LEU A 58 -2.676 5.980 9.204 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.068 6.678 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.820 8.328 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.334 8.985 7.497 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.806 6.765 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.435 8.487 9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.824 8.768 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.378 9.750 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.677 7.403 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.627 8.608 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.246 6.875 6.527 1.00 0.00 H new ATOM 878 N LEU A 59 -0.880 7.930 5.858 1.00 0.00 N ATOM 879 CA LEU A 59 0.408 8.538 5.518 1.00 0.00 C ATOM 880 C LEU A 59 0.356 9.984 6.016 1.00 0.00 C ATOM 881 O LEU A 59 -0.723 10.540 6.237 1.00 0.00 O ATOM 882 CB LEU A 59 0.676 8.549 3.997 1.00 0.00 C ATOM 883 CG LEU A 59 0.967 7.175 3.370 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.101 7.292 1.842 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.252 6.547 3.928 1.00 0.00 C ATOM 0 H LEU A 59 -1.517 7.831 5.068 1.00 0.00 H new ATOM 0 HA LEU A 59 1.207 7.958 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.189 8.983 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.522 9.207 3.799 1.00 0.00 H new ATOM 0 HG LEU A 59 0.124 6.532 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.307 6.309 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.172 7.680 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.919 7.970 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.418 5.578 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.098 7.202 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.154 6.415 5.005 1.00 0.00 H new ATOM 897 N LYS A 60 1.521 10.608 6.193 1.00 0.00 N ATOM 898 CA LYS A 60 1.582 11.989 6.652 1.00 0.00 C ATOM 899 C LYS A 60 0.904 12.867 5.605 1.00 0.00 C ATOM 900 O LYS A 60 1.266 12.807 4.426 1.00 0.00 O ATOM 901 CB LYS A 60 3.041 12.385 6.891 1.00 0.00 C ATOM 902 CG LYS A 60 3.147 13.707 7.655 1.00 0.00 C ATOM 903 CD LYS A 60 4.581 14.208 7.859 1.00 0.00 C ATOM 904 CE LYS A 60 5.508 13.191 8.542 1.00 0.00 C ATOM 905 NZ LYS A 60 6.163 12.287 7.573 1.00 0.00 N ATOM 0 H LYS A 60 2.430 10.178 6.025 1.00 0.00 H new ATOM 0 HA LYS A 60 1.059 12.117 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.545 11.598 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.556 12.474 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.582 14.469 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.675 13.588 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.003 14.475 6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.555 15.119 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.270 13.723 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.933 12.600 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.054 11.302 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.722 12.402 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.174 12.520 7.509 1.00 0.00 H new ATOM 919 N GLY A 61 -0.081 13.650 6.029 1.00 0.00 N ATOM 920 CA GLY A 61 -0.833 14.542 5.163 1.00 0.00 C ATOM 921 C GLY A 61 -2.081 13.890 4.569 1.00 0.00 C ATOM 922 O GLY A 61 -2.737 14.501 3.730 1.00 0.00 O ATOM 0 H GLY A 61 -0.383 13.681 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.127 15.426 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.188 14.882 4.353 1.00 0.00 H new ATOM 926 N ASN A 62 -2.413 12.654 4.973 1.00 0.00 N ATOM 927 CA ASN A 62 -3.572 11.864 4.536 1.00 0.00 C ATOM 928 C ASN A 62 -3.662 11.613 3.026 1.00 0.00 C ATOM 929 O ASN A 62 -4.641 11.036 2.561 1.00 0.00 O ATOM 930 CB ASN A 62 -4.883 12.406 5.140 1.00 0.00 C ATOM 931 CG ASN A 62 -5.069 11.924 6.568 1.00 0.00 C ATOM 932 OD1 ASN A 62 -5.871 11.041 6.835 1.00 0.00 O ATOM 933 ND2 ASN A 62 -4.294 12.456 7.497 1.00 0.00 N ATOM 0 H ASN A 62 -1.845 12.150 5.654 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.407 10.866 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.873 13.496 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.728 12.083 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.357 12.131 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.632 13.192 7.249 1.00 0.00 H new ATOM 940 N MET A 63 -2.626 11.948 2.254 1.00 0.00 N ATOM 941 CA MET A 63 -2.548 11.759 0.802 1.00 0.00 C ATOM 942 C MET A 63 -2.362 10.277 0.413 1.00 0.00 C ATOM 943 O MET A 63 -1.886 9.971 -0.679 1.00 0.00 O ATOM 944 CB MET A 63 -1.402 12.637 0.258 1.00 0.00 C ATOM 945 CG MET A 63 -1.759 14.130 0.259 1.00 0.00 C ATOM 946 SD MET A 63 -2.281 14.808 -1.343 1.00 0.00 S ATOM 947 CE MET A 63 -3.654 13.718 -1.804 1.00 0.00 C ATOM 0 H MET A 63 -1.784 12.376 2.638 1.00 0.00 H new ATOM 0 HA MET A 63 -3.493 12.065 0.352 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.509 12.479 0.862 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.159 12.325 -0.758 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.558 14.294 0.982 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.893 14.693 0.608 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.138 14.102 -2.702 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.273 12.715 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.378 13.680 -0.990 1.00 0.00 H new ATOM 957 N GLY A 64 -2.655 9.335 1.309 1.00 0.00 N ATOM 958 CA GLY A 64 -2.520 7.917 1.062 1.00 0.00 C ATOM 959 C GLY A 64 -2.451 7.146 2.367 1.00 0.00 C ATOM 960 O GLY A 64 -2.546 7.711 3.463 1.00 0.00 O ATOM 0 H GLY A 64 -3.000 9.551 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.365 7.564 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.620 7.730 0.476 1.00 0.00 H new ATOM 964 N VAL A 65 -2.283 5.837 2.246 1.00 0.00 N ATOM 965 CA VAL A 65 -2.178 4.898 3.352 1.00 0.00 C ATOM 966 C VAL A 65 -1.062 3.898 3.047 1.00 0.00 C ATOM 967 O VAL A 65 -0.536 3.838 1.933 1.00 0.00 O ATOM 968 CB VAL A 65 -3.534 4.187 3.584 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.642 5.162 4.003 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.017 3.392 2.359 1.00 0.00 C ATOM 0 H VAL A 65 -2.213 5.382 1.336 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.931 5.429 4.271 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.340 3.488 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.572 4.613 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.359 5.657 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.784 5.909 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.972 2.918 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.140 4.067 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.282 2.627 2.109 1.00 0.00 H new ATOM 980 N CYS A 66 -0.670 3.115 4.042 1.00 0.00 N ATOM 981 CA CYS A 66 0.342 2.079 3.928 1.00 0.00 C ATOM 982 C CYS A 66 -0.075 0.944 4.855 1.00 0.00 C ATOM 983 O CYS A 66 -0.917 1.152 5.733 1.00 0.00 O ATOM 984 CB CYS A 66 1.751 2.614 4.215 1.00 0.00 C ATOM 985 SG CYS A 66 1.814 3.500 5.790 1.00 0.00 S ATOM 0 H CYS A 66 -1.062 3.187 4.981 1.00 0.00 H new ATOM 0 HA CYS A 66 0.403 1.708 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.459 1.786 4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.060 3.280 3.409 1.00 0.00 H new ATOM 0 HG CYS A 66 3.022 3.934 5.996 1.00 0.00 H new ATOM 991 N PHE A 67 0.473 -0.248 4.638 1.00 0.00 N ATOM 992 CA PHE A 67 0.192 -1.448 5.413 1.00 0.00 C ATOM 993 C PHE A 67 1.285 -2.487 5.152 1.00 0.00 C ATOM 994 O PHE A 67 2.096 -2.301 4.248 1.00 0.00 O ATOM 995 CB PHE A 67 -1.200 -1.979 5.025 1.00 0.00 C ATOM 996 CG PHE A 67 -1.500 -2.161 3.544 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.911 -3.213 2.819 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.475 -1.360 2.922 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.332 -3.499 1.510 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.894 -1.639 1.611 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.338 -2.726 0.912 1.00 0.00 C ATOM 0 H PHE A 67 1.149 -0.408 3.891 1.00 0.00 H new ATOM 0 HA PHE A 67 0.189 -1.225 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.341 -2.942 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.945 -1.299 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.130 -3.805 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.904 -0.525 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.881 -4.314 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.643 -1.019 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.685 -2.965 -0.083 1.00 0.00 H new ATOM 1011 N ASP A 68 1.311 -3.581 5.912 1.00 0.00 N ATOM 1012 CA ASP A 68 2.283 -4.668 5.777 1.00 0.00 C ATOM 1013 C ASP A 68 1.570 -5.893 5.216 1.00 0.00 C ATOM 1014 O ASP A 68 0.404 -6.144 5.542 1.00 0.00 O ATOM 1015 CB ASP A 68 2.921 -5.029 7.132 1.00 0.00 C ATOM 1016 CG ASP A 68 4.108 -4.152 7.534 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.914 -3.772 6.656 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.248 -3.930 8.761 1.00 0.00 O ATOM 0 H ASP A 68 0.637 -3.741 6.661 1.00 0.00 H new ATOM 0 HA ASP A 68 3.078 -4.340 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.158 -4.961 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.249 -6.068 7.098 1.00 0.00 H new ATOM 1023 N VAL A 69 2.278 -6.681 4.404 1.00 0.00 N ATOM 1024 CA VAL A 69 1.796 -7.899 3.756 1.00 0.00 C ATOM 1025 C VAL A 69 2.931 -8.927 3.636 1.00 0.00 C ATOM 1026 O VAL A 69 4.108 -8.548 3.647 1.00 0.00 O ATOM 1027 CB VAL A 69 1.243 -7.576 2.346 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.126 -6.902 2.443 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.155 -6.678 1.498 1.00 0.00 C ATOM 0 H VAL A 69 3.249 -6.476 4.170 1.00 0.00 H new ATOM 0 HA VAL A 69 0.997 -8.317 4.368 1.00 0.00 H new ATOM 0 HB VAL A 69 1.177 -8.543 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.496 -6.684 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.824 -7.568 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.035 -5.973 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.692 -6.502 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.303 -5.726 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.119 -7.168 1.357 1.00 0.00 H new ATOM 1039 N PRO A 70 2.612 -10.230 3.538 1.00 0.00 N ATOM 1040 CA PRO A 70 3.631 -11.254 3.382 1.00 0.00 C ATOM 1041 C PRO A 70 4.219 -11.120 1.973 1.00 0.00 C ATOM 1042 O PRO A 70 3.516 -10.707 1.045 1.00 0.00 O ATOM 1043 CB PRO A 70 2.889 -12.580 3.570 1.00 0.00 C ATOM 1044 CG PRO A 70 1.473 -12.277 3.088 1.00 0.00 C ATOM 1045 CD PRO A 70 1.281 -10.826 3.527 1.00 0.00 C ATOM 0 HA PRO A 70 4.456 -11.178 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.347 -13.380 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.897 -12.899 4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.378 -12.391 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.738 -12.940 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.621 -10.295 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.822 -10.775 4.514 1.00 0.00 H new ATOM 1053 N THR A 71 5.481 -11.501 1.787 1.00 0.00 N ATOM 1054 CA THR A 71 6.158 -11.421 0.490 1.00 0.00 C ATOM 1055 C THR A 71 5.456 -12.327 -0.541 1.00 0.00 C ATOM 1056 O THR A 71 5.459 -12.060 -1.740 1.00 0.00 O ATOM 1057 CB THR A 71 7.635 -11.784 0.698 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.725 -13.053 1.320 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.326 -10.724 1.569 1.00 0.00 C ATOM 0 H THR A 71 6.067 -11.876 2.533 1.00 0.00 H new ATOM 0 HA THR A 71 6.107 -10.410 0.085 1.00 0.00 H new ATOM 0 HB THR A 71 8.134 -11.818 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.668 -13.287 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.373 -10.994 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.264 -9.753 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.832 -10.672 2.539 1.00 0.00 H new ATOM 1067 N THR A 72 4.810 -13.397 -0.064 1.00 0.00 N ATOM 1068 CA THR A 72 4.075 -14.355 -0.868 1.00 0.00 C ATOM 1069 C THR A 72 2.940 -13.618 -1.602 1.00 0.00 C ATOM 1070 O THR A 72 2.935 -13.553 -2.834 1.00 0.00 O ATOM 1071 CB THR A 72 3.571 -15.456 0.093 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.649 -15.998 0.833 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.858 -16.620 -0.588 1.00 0.00 C ATOM 0 H THR A 72 4.790 -13.620 0.931 1.00 0.00 H new ATOM 0 HA THR A 72 4.688 -14.825 -1.637 1.00 0.00 H new ATOM 0 HB THR A 72 2.846 -14.949 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.314 -16.692 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.540 -17.342 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.986 -16.248 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.538 -17.103 -1.290 1.00 0.00 H new ATOM 1081 N GLU A 73 2.021 -12.977 -0.877 1.00 0.00 N ATOM 1082 CA GLU A 73 0.906 -12.279 -1.504 1.00 0.00 C ATOM 1083 C GLU A 73 1.247 -10.874 -2.012 1.00 0.00 C ATOM 1084 O GLU A 73 0.474 -10.340 -2.803 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.269 -12.194 -0.517 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.635 -12.300 -1.213 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.965 -13.752 -1.561 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.484 -14.280 -2.590 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.654 -14.404 -0.742 1.00 0.00 O ATOM 0 H GLU A 73 2.030 -12.929 0.142 1.00 0.00 H new ATOM 0 HA GLU A 73 0.641 -12.865 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.178 -12.992 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.215 -11.251 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.410 -11.893 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.632 -11.697 -2.121 1.00 0.00 H new ATOM 1096 N SER A 74 2.367 -10.256 -1.615 1.00 0.00 N ATOM 1097 CA SER A 74 2.692 -8.909 -2.076 1.00 0.00 C ATOM 1098 C SER A 74 2.771 -8.838 -3.598 1.00 0.00 C ATOM 1099 O SER A 74 2.195 -7.930 -4.194 1.00 0.00 O ATOM 1100 CB SER A 74 3.966 -8.389 -1.403 1.00 0.00 C ATOM 1101 OG SER A 74 5.106 -9.164 -1.711 1.00 0.00 O ATOM 0 H SER A 74 3.054 -10.666 -0.982 1.00 0.00 H new ATOM 0 HA SER A 74 1.878 -8.248 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.139 -7.358 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.822 -8.378 -0.323 1.00 0.00 H new ATOM 0 HG SER A 74 4.868 -10.115 -1.701 1.00 0.00 H new ATOM 1107 N GLU A 75 3.469 -9.783 -4.235 1.00 0.00 N ATOM 1108 CA GLU A 75 3.591 -9.792 -5.690 1.00 0.00 C ATOM 1109 C GLU A 75 2.221 -10.067 -6.324 1.00 0.00 C ATOM 1110 O GLU A 75 1.885 -9.465 -7.341 1.00 0.00 O ATOM 1111 CB GLU A 75 4.647 -10.813 -6.146 1.00 0.00 C ATOM 1112 CG GLU A 75 6.058 -10.449 -5.646 1.00 0.00 C ATOM 1113 CD GLU A 75 7.165 -11.335 -6.237 1.00 0.00 C ATOM 1114 OE1 GLU A 75 7.235 -11.476 -7.483 1.00 0.00 O ATOM 1115 OE2 GLU A 75 8.058 -11.789 -5.479 1.00 0.00 O ATOM 0 H GLU A 75 3.955 -10.547 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 75 3.930 -8.812 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.376 -11.803 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.651 -10.868 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.265 -9.408 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.081 -10.528 -4.559 1.00 0.00 H new ATOM 1122 N ARG A 76 1.375 -10.920 -5.739 1.00 0.00 N ATOM 1123 CA ARG A 76 0.071 -11.220 -6.262 1.00 0.00 C ATOM 1124 C ARG A 76 -0.857 -10.021 -6.169 1.00 0.00 C ATOM 1125 O ARG A 76 -1.685 -9.836 -7.062 1.00 0.00 O ATOM 1126 CB ARG A 76 -0.471 -12.410 -5.458 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.515 -13.066 -6.328 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.077 -14.346 -5.733 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.957 -15.016 -6.702 1.00 0.00 N ATOM 1130 CZ ARG A 76 -4.254 -15.299 -6.553 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -4.932 -14.892 -5.485 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -4.862 -16.015 -7.489 1.00 0.00 N ATOM 0 H ARG A 76 1.595 -11.420 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 76 0.134 -11.469 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.328 -13.110 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.904 -12.077 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.331 -12.363 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.079 -13.287 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.262 -15.012 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.633 -14.119 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.530 -15.295 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.462 -14.352 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.922 -15.120 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.340 -16.339 -8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.852 -16.242 -7.395 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.728 -9.222 -5.107 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.538 -8.038 -4.858 1.00 0.00 C ATOM 1148 C LEU A 77 -1.320 -7.044 -5.979 1.00 0.00 C ATOM 1149 O LEU A 77 -2.277 -6.451 -6.468 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.193 -7.412 -3.493 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.077 -7.963 -2.365 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.525 -7.587 -0.992 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.488 -7.387 -2.460 1.00 0.00 C ATOM 0 H LEU A 77 -0.035 -9.390 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.590 -8.322 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.146 -7.606 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.312 -6.330 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.092 -9.047 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.174 -7.992 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.522 -7.998 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.484 -6.502 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.100 -7.789 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.444 -6.301 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.928 -7.659 -3.419 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.071 -6.891 -6.411 1.00 0.00 N ATOM 1166 CA GLN A 78 0.287 -5.992 -7.492 1.00 0.00 C ATOM 1167 C GLN A 78 -0.493 -6.366 -8.751 1.00 0.00 C ATOM 1168 O GLN A 78 -0.961 -5.476 -9.457 1.00 0.00 O ATOM 1169 CB GLN A 78 1.793 -6.088 -7.730 1.00 0.00 C ATOM 1170 CG GLN A 78 2.567 -5.513 -6.545 1.00 0.00 C ATOM 1171 CD GLN A 78 4.073 -5.655 -6.709 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.590 -6.697 -7.102 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.837 -4.615 -6.450 1.00 0.00 N ATOM 0 H GLN A 78 0.723 -7.393 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 78 0.034 -4.964 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.076 -7.129 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.057 -5.548 -8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.315 -4.459 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.255 -6.019 -5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.419 -3.744 -6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.847 -4.680 -6.576 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.649 -7.667 -9.016 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.377 -8.159 -10.173 1.00 0.00 C ATOM 1184 C ALA A 79 -2.898 -8.191 -9.950 1.00 0.00 C ATOM 1185 O ALA A 79 -3.629 -8.419 -10.915 1.00 0.00 O ATOM 1186 CB ALA A 79 -0.825 -9.529 -10.569 1.00 0.00 C ATOM 0 H ALA A 79 -0.269 -8.407 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.224 -7.462 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.368 -9.903 -11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.233 -9.438 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.946 -10.224 -9.738 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.393 -8.033 -8.716 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.829 -8.003 -8.397 1.00 0.00 C ATOM 1194 C GLU A 80 -5.350 -6.569 -8.494 1.00 0.00 C ATOM 1195 O GLU A 80 -6.530 -6.348 -8.779 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.116 -8.494 -6.965 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.083 -10.018 -6.806 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.312 -10.541 -6.067 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.398 -10.545 -6.688 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.197 -11.015 -4.911 1.00 0.00 O ATOM 0 H GLU A 80 -2.798 -7.920 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.323 -8.662 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.384 -8.053 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.096 -8.129 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.025 -10.484 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.183 -10.307 -6.263 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.480 -5.596 -8.229 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.801 -4.188 -8.257 1.00 0.00 C ATOM 1209 C TRP A 81 -5.021 -3.723 -9.687 1.00 0.00 C ATOM 1210 O TRP A 81 -4.129 -3.857 -10.532 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.670 -3.393 -7.598 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.113 -2.062 -7.091 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.737 -0.845 -7.545 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.064 -1.815 -6.020 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.361 0.134 -6.795 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.198 -0.411 -5.841 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.829 -2.653 -5.185 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.045 0.129 -4.862 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.693 -2.119 -4.218 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.804 -0.728 -4.050 1.00 0.00 C ATOM 0 H TRP A 81 -3.507 -5.781 -7.983 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.723 -4.019 -7.702 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.260 -3.973 -6.771 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.865 -3.252 -8.319 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.056 -0.666 -8.364 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.221 1.135 -6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.749 -3.725 -5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.113 1.199 -4.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.278 -2.782 -3.597 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.468 -0.322 -3.302 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.219 -3.222 -9.981 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.571 -2.704 -11.285 1.00 0.00 C ATOM 1233 C HIS A 82 -7.883 -1.938 -11.175 1.00 0.00 C ATOM 1234 O HIS A 82 -8.684 -2.192 -10.269 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.691 -3.824 -12.333 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.175 -3.347 -13.661 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -6.938 -2.867 -14.700 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -4.856 -3.165 -13.983 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.088 -2.439 -15.647 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.811 -2.558 -15.242 1.00 0.00 N ATOM 0 H HIS A 82 -6.979 -3.167 -9.303 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.776 -2.038 -11.619 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.127 -4.698 -12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.732 -4.133 -12.428 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -7.957 -2.841 -14.743 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.006 -3.440 -13.376 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.390 -2.050 -16.608 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.128 -1.066 -12.153 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.309 -0.217 -12.274 1.00 0.00 C ATOM 1250 C ASP A 83 -9.458 0.689 -11.042 1.00 0.00 C ATOM 1251 O ASP A 83 -10.566 0.993 -10.594 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.554 -1.045 -12.651 1.00 0.00 C ATOM 1253 CG ASP A 83 -10.576 -1.367 -14.145 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -9.583 -1.918 -14.673 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -11.585 -1.029 -14.803 1.00 0.00 O ATOM 0 H ASP A 83 -7.472 -0.927 -12.922 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.185 0.473 -13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.564 -1.972 -12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.455 -0.494 -12.382 1.00 0.00 H new ATOM 1260 N SER A 84 -8.336 1.164 -10.494 1.00 0.00 N ATOM 1261 CA SER A 84 -8.261 2.006 -9.319 1.00 0.00 C ATOM 1262 C SER A 84 -7.250 3.124 -9.529 1.00 0.00 C ATOM 1263 O SER A 84 -6.070 2.845 -9.731 1.00 0.00 O ATOM 1264 CB SER A 84 -7.873 1.136 -8.115 1.00 0.00 C ATOM 1265 OG SER A 84 -7.110 -0.016 -8.436 1.00 0.00 O ATOM 0 H SER A 84 -7.417 0.956 -10.884 1.00 0.00 H new ATOM 0 HA SER A 84 -9.230 2.469 -9.134 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.306 1.746 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.783 0.821 -7.603 1.00 0.00 H new ATOM 0 HG SER A 84 -6.418 -0.151 -7.755 1.00 0.00 H new ATOM 1271 N ASP A 85 -7.701 4.375 -9.382 1.00 0.00 N ATOM 1272 CA ASP A 85 -6.877 5.583 -9.535 1.00 0.00 C ATOM 1273 C ASP A 85 -5.803 5.672 -8.452 1.00 0.00 C ATOM 1274 O ASP A 85 -4.892 6.497 -8.530 1.00 0.00 O ATOM 1275 CB ASP A 85 -7.744 6.844 -9.372 1.00 0.00 C ATOM 1276 CG ASP A 85 -8.512 7.238 -10.621 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -7.891 7.795 -11.553 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -9.755 7.067 -10.604 1.00 0.00 O ATOM 0 H ASP A 85 -8.672 4.582 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.424 5.523 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.453 6.681 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.104 7.675 -9.075 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.969 4.916 -7.374 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.061 4.882 -6.248 1.00 0.00 C ATOM 1285 C TRP A 86 -3.819 4.113 -6.689 1.00 0.00 C ATOM 1286 O TRP A 86 -3.912 2.907 -6.927 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.772 4.223 -5.074 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.936 4.943 -4.459 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.150 5.131 -5.026 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -7.061 5.432 -3.092 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -9.007 5.701 -4.109 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.413 5.825 -2.874 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.187 5.524 -1.990 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.887 6.216 -1.614 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.654 5.881 -0.713 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -8.007 6.201 -0.519 1.00 0.00 C ATOM 0 H TRP A 86 -6.767 4.291 -7.262 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.755 5.877 -5.925 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -6.121 3.244 -5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -5.034 4.052 -4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.408 4.874 -6.043 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.961 5.994 -4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -5.136 5.316 -2.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.914 6.524 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.969 5.909 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.371 6.435 0.471 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.681 4.792 -6.825 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.443 4.169 -7.263 1.00 0.00 C ATOM 1309 C ILE A 87 -0.940 3.283 -6.128 1.00 0.00 C ATOM 1310 O ILE A 87 -0.819 3.745 -4.992 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.376 5.224 -7.655 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.854 6.249 -8.710 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.857 4.515 -8.249 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.574 7.467 -8.128 1.00 0.00 C ATOM 0 H ILE A 87 -2.596 5.790 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.630 3.574 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.153 5.764 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.008 6.591 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.523 5.747 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.606 5.257 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.276 3.833 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.562 3.952 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.874 8.133 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.458 7.140 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.904 7.997 -7.452 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.621 2.029 -6.452 1.00 0.00 N ATOM 1327 CA LEU A 88 -0.108 1.028 -5.525 1.00 0.00 C ATOM 1328 C LEU A 88 1.393 0.948 -5.748 1.00 0.00 C ATOM 1329 O LEU A 88 1.830 0.798 -6.892 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.765 -0.335 -5.823 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.227 -1.511 -4.979 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.659 -1.380 -3.520 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.774 -2.843 -5.498 1.00 0.00 C ATOM 0 H LEU A 88 -0.718 1.673 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.330 1.293 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.839 -0.249 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.623 -0.568 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 88 0.860 -1.486 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.267 -2.221 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.271 -0.448 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.747 -1.377 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.383 -3.659 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.862 -2.837 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.467 -2.984 -6.534 1.00 0.00 H new ATOM 1345 N SER A 89 2.172 1.061 -4.680 1.00 0.00 N ATOM 1346 CA SER A 89 3.623 0.987 -4.715 1.00 0.00 C ATOM 1347 C SER A 89 4.109 0.162 -3.522 1.00 0.00 C ATOM 1348 O SER A 89 3.390 0.004 -2.531 1.00 0.00 O ATOM 1349 CB SER A 89 4.231 2.394 -4.774 1.00 0.00 C ATOM 1350 OG SER A 89 3.591 3.303 -3.895 1.00 0.00 O ATOM 0 H SER A 89 1.800 1.211 -3.742 1.00 0.00 H new ATOM 0 HA SER A 89 3.959 0.480 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.291 2.338 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.163 2.772 -5.794 1.00 0.00 H new ATOM 0 HG SER A 89 4.016 4.183 -3.969 1.00 0.00 H new ATOM 1356 N VAL A 90 5.340 -0.336 -3.593 1.00 0.00 N ATOM 1357 CA VAL A 90 5.943 -1.154 -2.554 1.00 0.00 C ATOM 1358 C VAL A 90 7.318 -0.571 -2.187 1.00 0.00 C ATOM 1359 O VAL A 90 8.319 -0.901 -2.826 1.00 0.00 O ATOM 1360 CB VAL A 90 5.895 -2.632 -3.010 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.650 -2.973 -4.305 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.306 -3.581 -1.886 1.00 0.00 C ATOM 0 H VAL A 90 5.955 -0.177 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 90 5.395 -1.138 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 90 4.844 -2.781 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.542 -4.036 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.237 -2.393 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.706 -2.732 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.260 -4.610 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.324 -3.352 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.628 -3.460 -1.041 1.00 0.00 H new ATOM 1372 N PRO A 91 7.412 0.359 -1.218 1.00 0.00 N ATOM 1373 CA PRO A 91 8.703 0.920 -0.840 1.00 0.00 C ATOM 1374 C PRO A 91 9.604 -0.159 -0.221 1.00 0.00 C ATOM 1375 O PRO A 91 9.136 -1.189 0.284 1.00 0.00 O ATOM 1376 CB PRO A 91 8.396 2.079 0.109 1.00 0.00 C ATOM 1377 CG PRO A 91 7.011 1.768 0.674 1.00 0.00 C ATOM 1378 CD PRO A 91 6.342 0.883 -0.382 1.00 0.00 C ATOM 0 HA PRO A 91 9.264 1.290 -1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.140 2.148 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.403 3.033 -0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.082 1.254 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.440 2.681 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.784 0.073 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.631 1.457 -0.976 1.00 0.00 H new ATOM 1386 N ALA A 92 10.917 0.066 -0.281 1.00 0.00 N ATOM 1387 CA ALA A 92 11.941 -0.832 0.240 1.00 0.00 C ATOM 1388 C ALA A 92 12.408 -0.357 1.600 1.00 0.00 C ATOM 1389 O ALA A 92 12.353 0.862 1.851 1.00 0.00 O ATOM 1390 CB ALA A 92 13.109 -0.885 -0.747 1.00 0.00 C ATOM 0 H ALA A 92 11.307 0.906 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 92 11.527 -1.834 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.879 -1.555 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.755 -1.252 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.526 0.114 -0.871 1.00 0.00 H new TER 1396 ALA A 92