USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 7 ASN : amide:sc= -0.109 K(o=-0.11,f=-9.7!) USER MOD Single : A 12 THR OG1 : rot 140:sc= -0.16 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00847 F(o=-0.7,f=-0.0085) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.731) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 31 SER OG : rot -60:sc= -0.142 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.022 (180deg=-0.161) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -149:sc= -0.693 (180deg=-2.45!) USER MOD Single : A 46 HIS : no HE2:sc= 0.775 K(o=0.78,f=-5.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.896 K(o=0.9,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 0.665 -0.526 -14.712 1.00 0.00 N ATOM 2 CA ASN A 7 0.950 -0.514 -13.271 1.00 0.00 C ATOM 3 C ASN A 7 0.386 -1.703 -12.471 1.00 0.00 C ATOM 4 O ASN A 7 1.047 -2.173 -11.541 1.00 0.00 O ATOM 5 CB ASN A 7 0.523 0.827 -12.625 1.00 0.00 C ATOM 6 CG ASN A 7 0.801 0.869 -11.137 1.00 0.00 C ATOM 7 OD1 ASN A 7 1.902 1.227 -10.723 1.00 0.00 O ATOM 8 ND2 ASN A 7 -0.189 0.576 -10.332 1.00 0.00 N ATOM 0 HA ASN A 7 2.033 -0.625 -13.214 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.051 1.646 -13.113 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.541 0.987 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.062 0.641 -9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.088 0.283 -10.715 1.00 0.00 H new ATOM 15 N ARG A 8 -0.762 -2.222 -12.888 1.00 0.00 N ATOM 16 CA ARG A 8 -1.580 -3.162 -12.102 1.00 0.00 C ATOM 17 C ARG A 8 -2.081 -2.415 -10.878 1.00 0.00 C ATOM 18 O ARG A 8 -1.417 -2.393 -9.847 1.00 0.00 O ATOM 19 CB ARG A 8 -0.892 -4.487 -11.648 1.00 0.00 C ATOM 20 CG ARG A 8 -0.409 -5.460 -12.726 1.00 0.00 C ATOM 21 CD ARG A 8 0.928 -5.055 -13.321 1.00 0.00 C ATOM 22 NE ARG A 8 1.910 -4.744 -12.264 1.00 0.00 N ATOM 23 CZ ARG A 8 2.749 -5.609 -11.659 1.00 0.00 C ATOM 24 NH1 ARG A 8 2.730 -6.906 -11.937 1.00 0.00 N ATOM 25 NH2 ARG A 8 3.589 -5.175 -10.739 1.00 0.00 N ATOM 0 H ARG A 8 -1.166 -2.003 -13.799 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.372 -3.496 -12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.034 -4.221 -11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.592 -5.022 -11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.324 -6.459 -12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.154 -5.516 -13.520 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.309 -5.861 -13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.794 -4.185 -13.964 1.00 0.00 H new ATOM 0 HE ARG A 8 1.959 -3.772 -11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.069 -7.271 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.376 -7.538 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.603 -4.187 -10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.225 -5.828 -10.280 1.00 0.00 H new ATOM 39 N PRO A 9 -3.220 -1.727 -10.992 1.00 0.00 N ATOM 40 CA PRO A 9 -3.744 -0.900 -9.915 1.00 0.00 C ATOM 41 C PRO A 9 -4.255 -1.712 -8.733 1.00 0.00 C ATOM 42 O PRO A 9 -5.439 -2.063 -8.666 1.00 0.00 O ATOM 43 CB PRO A 9 -4.892 -0.109 -10.565 1.00 0.00 C ATOM 44 CG PRO A 9 -4.777 -0.372 -12.029 1.00 0.00 C ATOM 45 CD PRO A 9 -4.099 -1.698 -12.165 1.00 0.00 C ATOM 0 HA PRO A 9 -2.963 -0.265 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.859 -0.435 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.806 0.956 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.760 -0.388 -12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.201 0.412 -12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.813 -2.521 -12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.536 -1.773 -13.096 1.00 0.00 H new ATOM 53 N GLY A 10 -3.358 -2.080 -7.852 1.00 0.00 N ATOM 54 CA GLY A 10 -3.749 -2.785 -6.682 1.00 0.00 C ATOM 55 C GLY A 10 -2.657 -3.666 -6.149 1.00 0.00 C ATOM 56 O GLY A 10 -1.578 -3.753 -6.742 1.00 0.00 O ATOM 0 H GLY A 10 -2.358 -1.898 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.043 -2.071 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.626 -3.393 -6.904 1.00 0.00 H new ATOM 60 N ILE A 11 -2.935 -4.308 -5.017 1.00 0.00 N ATOM 61 CA ILE A 11 -1.972 -5.146 -4.308 1.00 0.00 C ATOM 62 C ILE A 11 -1.632 -6.399 -5.099 1.00 0.00 C ATOM 63 O ILE A 11 -2.258 -7.449 -4.940 1.00 0.00 O ATOM 64 CB ILE A 11 -2.470 -5.549 -2.879 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.915 -4.304 -2.094 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.362 -6.287 -2.113 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.478 -4.601 -0.721 1.00 0.00 C ATOM 0 H ILE A 11 -3.846 -4.260 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.073 -4.540 -4.197 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.324 -6.217 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.063 -3.633 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.668 -3.772 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.725 -6.560 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.081 -7.188 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.493 -5.637 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.767 -3.668 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.352 -5.245 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.721 -5.104 -0.118 1.00 0.00 H new ATOM 79 N THR A 12 -0.712 -6.252 -5.980 1.00 0.00 N ATOM 80 CA THR A 12 -0.198 -7.333 -6.727 1.00 0.00 C ATOM 81 C THR A 12 0.908 -7.923 -5.872 1.00 0.00 C ATOM 82 O THR A 12 1.707 -7.171 -5.309 1.00 0.00 O ATOM 83 CB THR A 12 0.359 -6.804 -8.060 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.646 -5.984 -8.695 1.00 0.00 O ATOM 85 CG2 THR A 12 0.732 -7.949 -8.992 1.00 0.00 C ATOM 0 H THR A 12 -0.287 -5.353 -6.205 1.00 0.00 H new ATOM 0 HA THR A 12 -0.953 -8.083 -6.962 1.00 0.00 H new ATOM 0 HB THR A 12 1.257 -6.221 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.220 -5.199 -9.100 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.123 -7.545 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.493 -8.570 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.152 -8.552 -9.199 1.00 0.00 H new ATOM 93 N PHE A 13 0.939 -9.223 -5.718 1.00 0.00 N ATOM 94 CA PHE A 13 1.904 -9.834 -4.826 1.00 0.00 C ATOM 95 C PHE A 13 3.312 -9.872 -5.399 1.00 0.00 C ATOM 96 O PHE A 13 3.774 -10.900 -5.894 1.00 0.00 O ATOM 97 CB PHE A 13 1.441 -11.208 -4.326 1.00 0.00 C ATOM 98 CG PHE A 13 0.167 -11.141 -3.532 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.186 -10.751 -2.208 1.00 0.00 C ATOM 100 CD2 PHE A 13 -1.047 -11.457 -4.112 1.00 0.00 C ATOM 101 CE1 PHE A 13 -0.981 -10.678 -1.479 1.00 0.00 C ATOM 102 CE2 PHE A 13 -2.218 -11.386 -3.388 1.00 0.00 C ATOM 103 CZ PHE A 13 -2.184 -10.995 -2.069 1.00 0.00 C ATOM 0 H PHE A 13 0.316 -9.877 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 13 1.959 -9.181 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.297 -11.870 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.225 -11.648 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.126 -10.500 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.079 -11.764 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.952 -10.372 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.159 -11.636 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.099 -10.937 -1.498 1.00 0.00 H new ATOM 113 N GLU A 14 3.944 -8.714 -5.404 1.00 0.00 N ATOM 114 CA GLU A 14 5.316 -8.530 -5.816 1.00 0.00 C ATOM 115 C GLU A 14 5.895 -7.396 -5.007 1.00 0.00 C ATOM 116 O GLU A 14 5.249 -6.351 -4.848 1.00 0.00 O ATOM 117 CB GLU A 14 5.449 -8.128 -7.297 1.00 0.00 C ATOM 118 CG GLU A 14 4.860 -9.079 -8.322 1.00 0.00 C ATOM 119 CD GLU A 14 5.189 -8.647 -9.726 1.00 0.00 C ATOM 120 OE1 GLU A 14 4.692 -7.617 -10.184 1.00 0.00 O ATOM 121 OE2 GLU A 14 6.002 -9.306 -10.388 1.00 0.00 O ATOM 0 H GLU A 14 3.497 -7.846 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 14 5.830 -9.479 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.978 -7.154 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.508 -8.002 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.244 -10.085 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.778 -9.125 -8.198 1.00 0.00 H new ATOM 128 N ILE A 15 7.077 -7.573 -4.503 1.00 0.00 N ATOM 129 CA ILE A 15 7.755 -6.505 -3.830 1.00 0.00 C ATOM 130 C ILE A 15 8.272 -5.560 -4.894 1.00 0.00 C ATOM 131 O ILE A 15 9.269 -5.834 -5.570 1.00 0.00 O ATOM 132 CB ILE A 15 8.901 -7.016 -2.930 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.328 -7.897 -1.813 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.687 -5.841 -2.336 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.374 -8.543 -0.940 1.00 0.00 C ATOM 0 H ILE A 15 7.595 -8.450 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 15 7.063 -5.993 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 15 9.586 -7.610 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.672 -7.291 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.711 -8.677 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.490 -6.222 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.112 -5.243 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.019 -5.221 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.887 -9.148 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.016 -9.178 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.976 -7.771 -0.462 1.00 0.00 H new ATOM 147 N GLY A 16 7.541 -4.514 -5.082 1.00 0.00 N ATOM 148 CA GLY A 16 7.822 -3.570 -6.103 1.00 0.00 C ATOM 149 C GLY A 16 6.550 -3.162 -6.773 1.00 0.00 C ATOM 150 O GLY A 16 6.486 -2.109 -7.393 1.00 0.00 O ATOM 0 H GLY A 16 6.719 -4.290 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.317 -2.697 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.507 -4.002 -6.833 1.00 0.00 H new ATOM 154 N ALA A 17 5.519 -3.987 -6.612 1.00 0.00 N ATOM 155 CA ALA A 17 4.219 -3.727 -7.205 1.00 0.00 C ATOM 156 C ALA A 17 3.576 -2.532 -6.540 1.00 0.00 C ATOM 157 O ALA A 17 3.770 -2.296 -5.338 1.00 0.00 O ATOM 158 CB ALA A 17 3.323 -4.943 -7.102 1.00 0.00 C ATOM 0 H ALA A 17 5.565 -4.849 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 17 4.360 -3.506 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.356 -4.722 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.785 -5.780 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.183 -5.204 -6.053 1.00 0.00 H new ATOM 164 N ARG A 18 2.840 -1.783 -7.301 1.00 0.00 N ATOM 165 CA ARG A 18 2.259 -0.573 -6.818 1.00 0.00 C ATOM 166 C ARG A 18 0.734 -0.719 -6.652 1.00 0.00 C ATOM 167 O ARG A 18 -0.015 -0.785 -7.623 1.00 0.00 O ATOM 168 CB ARG A 18 2.652 0.566 -7.752 1.00 0.00 C ATOM 169 CG ARG A 18 2.488 1.935 -7.159 1.00 0.00 C ATOM 170 CD ARG A 18 3.287 3.005 -7.902 1.00 0.00 C ATOM 171 NE ARG A 18 2.796 3.302 -9.253 1.00 0.00 N ATOM 172 CZ ARG A 18 2.782 4.544 -9.783 1.00 0.00 C ATOM 173 NH1 ARG A 18 3.231 5.581 -9.064 1.00 0.00 N ATOM 174 NH2 ARG A 18 2.340 4.743 -11.026 1.00 0.00 N ATOM 0 H ARG A 18 2.626 -1.995 -8.275 1.00 0.00 H new ATOM 0 HA ARG A 18 2.642 -0.342 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.692 0.434 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.050 0.501 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.432 2.205 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.802 1.913 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.275 3.923 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.326 2.683 -7.969 1.00 0.00 H new ATOM 0 HE ARG A 18 2.447 2.530 -9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.583 5.432 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.221 6.520 -9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.010 3.954 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.332 5.684 -11.420 1.00 0.00 H new ATOM 188 N LEU A 19 0.320 -0.729 -5.407 1.00 0.00 N ATOM 189 CA LEU A 19 -1.062 -0.958 -4.981 1.00 0.00 C ATOM 190 C LEU A 19 -1.807 0.346 -4.789 1.00 0.00 C ATOM 191 O LEU A 19 -1.255 1.406 -5.058 1.00 0.00 O ATOM 192 CB LEU A 19 -1.134 -1.830 -3.671 1.00 0.00 C ATOM 193 CG LEU A 19 -0.372 -1.417 -2.356 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.116 -1.534 -2.485 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.740 -0.036 -1.868 1.00 0.00 C ATOM 0 H LEU A 19 0.954 -0.573 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.549 -1.515 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.188 -1.920 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.786 -2.828 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.705 -2.136 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.587 -1.236 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.381 -2.566 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.464 -0.885 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.182 0.190 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.496 0.698 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.809 0.002 -1.656 1.00 0.00 H new ATOM 207 N GLU A 20 -3.045 0.288 -4.290 1.00 0.00 N ATOM 208 CA GLU A 20 -3.761 1.512 -4.032 1.00 0.00 C ATOM 209 C GLU A 20 -3.853 1.750 -2.539 1.00 0.00 C ATOM 210 O GLU A 20 -4.255 0.864 -1.794 1.00 0.00 O ATOM 211 CB GLU A 20 -5.153 1.471 -4.624 1.00 0.00 C ATOM 212 CG GLU A 20 -5.191 1.254 -6.117 1.00 0.00 C ATOM 213 CD GLU A 20 -6.579 1.389 -6.644 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.375 0.444 -6.528 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.928 2.469 -7.161 1.00 0.00 O ATOM 0 H GLU A 20 -3.548 -0.571 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.212 2.328 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.717 0.674 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.661 2.407 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.540 1.976 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.804 0.263 -6.354 1.00 0.00 H new ATOM 222 N ALA A 21 -3.434 2.900 -2.102 1.00 0.00 N ATOM 223 CA ALA A 21 -3.552 3.271 -0.719 1.00 0.00 C ATOM 224 C ALA A 21 -4.145 4.663 -0.631 1.00 0.00 C ATOM 225 O ALA A 21 -3.945 5.449 -1.526 1.00 0.00 O ATOM 226 CB ALA A 21 -2.198 3.214 -0.049 1.00 0.00 C ATOM 0 H ALA A 21 -3.000 3.609 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.210 2.573 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.298 3.497 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.802 2.201 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.516 3.903 -0.547 1.00 0.00 H new ATOM 232 N LEU A 22 -4.889 4.939 0.430 1.00 0.00 N ATOM 233 CA LEU A 22 -5.540 6.237 0.643 1.00 0.00 C ATOM 234 C LEU A 22 -4.673 7.001 1.570 1.00 0.00 C ATOM 235 O LEU A 22 -4.694 6.787 2.778 1.00 0.00 O ATOM 236 CB LEU A 22 -6.952 6.034 1.271 1.00 0.00 C ATOM 237 CG LEU A 22 -7.985 7.194 1.272 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.257 6.748 1.972 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.482 8.453 1.940 1.00 0.00 C ATOM 0 H LEU A 22 -5.063 4.267 1.177 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.671 6.769 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.415 5.191 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.803 5.734 2.308 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.171 7.435 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.979 7.565 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.679 5.890 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.028 6.469 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.257 9.219 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.233 8.239 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.593 8.810 1.420 1.00 0.00 H new ATOM 251 N ASP A 23 -3.895 7.851 1.046 1.00 0.00 N ATOM 252 CA ASP A 23 -3.038 8.602 1.885 1.00 0.00 C ATOM 253 C ASP A 23 -3.771 9.802 2.365 1.00 0.00 C ATOM 254 O ASP A 23 -4.836 10.138 1.806 1.00 0.00 O ATOM 255 CB ASP A 23 -1.795 9.039 1.167 1.00 0.00 C ATOM 256 CG ASP A 23 -1.973 10.316 0.376 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.648 10.311 -0.647 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.417 11.341 0.797 1.00 0.00 O ATOM 0 H ASP A 23 -3.825 8.052 0.048 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.736 7.969 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.995 9.180 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.476 8.244 0.492 1.00 0.00 H new ATOM 263 N TYR A 24 -3.140 10.455 3.337 1.00 0.00 N ATOM 264 CA TYR A 24 -3.542 11.670 4.063 1.00 0.00 C ATOM 265 C TYR A 24 -4.077 12.778 3.154 1.00 0.00 C ATOM 266 O TYR A 24 -4.916 13.578 3.568 1.00 0.00 O ATOM 267 CB TYR A 24 -2.290 12.134 4.796 1.00 0.00 C ATOM 268 CG TYR A 24 -2.336 13.459 5.517 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.951 13.587 6.745 1.00 0.00 C ATOM 270 CD2 TYR A 24 -1.702 14.574 4.980 1.00 0.00 C ATOM 271 CE1 TYR A 24 -2.942 14.786 7.416 1.00 0.00 C ATOM 272 CE2 TYR A 24 -1.675 15.770 5.652 1.00 0.00 C ATOM 273 CZ TYR A 24 -2.297 15.873 6.868 1.00 0.00 C ATOM 274 OH TYR A 24 -2.245 17.061 7.567 1.00 0.00 O ATOM 0 H TYR A 24 -2.240 10.115 3.675 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.369 11.445 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.027 11.367 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.477 12.177 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.446 12.734 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.222 14.497 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.439 14.876 8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.168 16.623 5.226 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.754 17.728 7.043 1.00 0.00 H new ATOM 284 N LEU A 25 -3.596 12.825 1.933 1.00 0.00 N ATOM 285 CA LEU A 25 -4.061 13.789 0.952 1.00 0.00 C ATOM 286 C LEU A 25 -5.393 13.345 0.344 1.00 0.00 C ATOM 287 O LEU A 25 -5.911 13.957 -0.589 1.00 0.00 O ATOM 288 CB LEU A 25 -2.985 14.029 -0.127 1.00 0.00 C ATOM 289 CG LEU A 25 -1.818 14.969 0.256 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.354 16.322 0.674 1.00 0.00 C ATOM 291 CD2 LEU A 25 -0.940 14.389 1.361 1.00 0.00 C ATOM 0 H LEU A 25 -2.870 12.197 1.588 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.236 14.741 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.566 13.064 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.474 14.436 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.191 15.080 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.524 16.976 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.912 16.763 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.013 16.202 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.136 15.088 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.542 14.221 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.513 13.443 1.028 1.00 0.00 H new ATOM 303 N GLN A 26 -5.897 12.241 0.866 1.00 0.00 N ATOM 304 CA GLN A 26 -7.170 11.665 0.561 1.00 0.00 C ATOM 305 C GLN A 26 -7.174 11.086 -0.757 1.00 0.00 C ATOM 306 O GLN A 26 -8.147 11.191 -1.520 1.00 0.00 O ATOM 307 CB GLN A 26 -8.321 12.594 0.784 1.00 0.00 C ATOM 308 CG GLN A 26 -9.040 12.293 2.079 1.00 0.00 C ATOM 309 CD GLN A 26 -8.178 12.561 3.303 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.376 11.597 3.709 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -8.209 13.655 3.856 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.384 11.696 1.559 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.323 10.859 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.961 13.623 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.021 12.513 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.945 12.898 2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.354 11.249 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.841 14.380 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.602 13.840 4.655 1.00 0.00 H new ATOM 320 N LYS A 27 -6.126 10.421 -1.040 1.00 0.00 N ATOM 321 CA LYS A 27 -5.995 9.903 -2.359 1.00 0.00 C ATOM 322 C LYS A 27 -5.801 8.447 -2.345 1.00 0.00 C ATOM 323 O LYS A 27 -4.911 7.969 -1.674 1.00 0.00 O ATOM 324 CB LYS A 27 -4.814 10.516 -3.072 1.00 0.00 C ATOM 325 CG LYS A 27 -4.825 12.033 -3.253 1.00 0.00 C ATOM 326 CD LYS A 27 -5.735 12.491 -4.385 1.00 0.00 C ATOM 327 CE LYS A 27 -7.119 12.901 -3.910 1.00 0.00 C ATOM 328 NZ LYS A 27 -7.074 14.108 -3.041 1.00 0.00 N ATOM 0 H LYS A 27 -5.357 10.220 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.919 10.152 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.911 10.247 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.738 10.058 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.147 12.502 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.810 12.377 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.270 13.332 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.831 11.686 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.755 13.099 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.574 12.076 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.025 14.523 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.745 13.840 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.420 14.806 -3.450 1.00 0.00 H new ATOM 342 N TRP A 28 -6.656 7.738 -3.047 1.00 0.00 N ATOM 343 CA TRP A 28 -6.428 6.347 -3.324 1.00 0.00 C ATOM 344 C TRP A 28 -5.464 6.280 -4.467 1.00 0.00 C ATOM 345 O TRP A 28 -5.858 6.211 -5.646 1.00 0.00 O ATOM 346 CB TRP A 28 -7.708 5.617 -3.675 1.00 0.00 C ATOM 347 CG TRP A 28 -8.578 5.363 -2.512 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.630 6.094 -2.099 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.434 4.293 -1.601 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.194 5.507 -0.987 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.455 4.391 -0.658 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.534 3.264 -1.511 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.594 3.456 0.387 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.648 2.358 -0.502 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.664 2.441 0.440 1.00 0.00 C ATOM 0 H TRP A 28 -7.522 8.110 -3.437 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.030 5.858 -2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.260 6.201 -4.411 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.457 4.666 -4.146 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.979 7.002 -2.568 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.020 5.842 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.739 3.172 -2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.391 3.531 1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.930 1.554 -0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.726 1.701 1.224 1.00 0.00 H new ATOM 366 N TYR A 29 -4.229 6.367 -4.136 1.00 0.00 N ATOM 367 CA TYR A 29 -3.213 6.519 -5.103 1.00 0.00 C ATOM 368 C TYR A 29 -2.265 5.324 -5.106 1.00 0.00 C ATOM 369 O TYR A 29 -2.185 4.572 -4.112 1.00 0.00 O ATOM 370 CB TYR A 29 -2.489 7.882 -4.882 1.00 0.00 C ATOM 371 CG TYR A 29 -1.574 8.029 -3.650 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.541 7.105 -2.591 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.717 9.108 -3.580 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.686 7.271 -1.525 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.140 9.274 -2.534 1.00 0.00 C ATOM 376 CZ TYR A 29 0.160 8.367 -1.511 1.00 0.00 C ATOM 377 OH TYR A 29 1.044 8.552 -0.472 1.00 0.00 O ATOM 0 H TYR A 29 -3.893 6.334 -3.173 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.655 6.539 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.889 8.088 -5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.252 8.659 -4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.199 6.249 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.726 9.840 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.675 6.559 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.805 10.124 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 29 1.561 9.370 -0.624 1.00 0.00 H new ATOM 387 N PRO A 30 -1.582 5.087 -6.222 1.00 0.00 N ATOM 388 CA PRO A 30 -0.622 4.008 -6.331 1.00 0.00 C ATOM 389 C PRO A 30 0.577 4.181 -5.369 1.00 0.00 C ATOM 390 O PRO A 30 1.310 5.181 -5.421 1.00 0.00 O ATOM 391 CB PRO A 30 -0.172 4.067 -7.795 1.00 0.00 C ATOM 392 CG PRO A 30 -1.221 4.840 -8.493 1.00 0.00 C ATOM 393 CD PRO A 30 -1.723 5.821 -7.493 1.00 0.00 C ATOM 0 HA PRO A 30 -1.057 3.048 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.801 4.550 -7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.073 3.067 -8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.818 5.345 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.023 4.189 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.137 6.740 -7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.758 6.102 -7.686 1.00 0.00 H new ATOM 401 N SER A 31 0.750 3.210 -4.516 1.00 0.00 N ATOM 402 CA SER A 31 1.814 3.154 -3.525 1.00 0.00 C ATOM 403 C SER A 31 2.558 1.821 -3.725 1.00 0.00 C ATOM 404 O SER A 31 1.943 0.883 -4.134 1.00 0.00 O ATOM 405 CB SER A 31 1.151 3.201 -2.161 1.00 0.00 C ATOM 406 OG SER A 31 0.380 4.375 -2.024 1.00 0.00 O ATOM 0 H SER A 31 0.134 2.398 -4.483 1.00 0.00 H new ATOM 0 HA SER A 31 2.522 3.977 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.516 2.325 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.910 3.165 -1.380 1.00 0.00 H new ATOM 0 HG SER A 31 0.959 5.160 -2.121 1.00 0.00 H new ATOM 412 N ARG A 32 3.850 1.723 -3.468 1.00 0.00 N ATOM 413 CA ARG A 32 4.551 0.452 -3.786 1.00 0.00 C ATOM 414 C ARG A 32 4.764 -0.457 -2.593 1.00 0.00 C ATOM 415 O ARG A 32 4.861 -0.012 -1.473 1.00 0.00 O ATOM 416 CB ARG A 32 5.885 0.661 -4.512 1.00 0.00 C ATOM 417 CG ARG A 32 5.749 1.274 -5.882 1.00 0.00 C ATOM 418 CD ARG A 32 7.032 1.171 -6.675 1.00 0.00 C ATOM 419 NE ARG A 32 6.896 1.784 -7.998 1.00 0.00 N ATOM 420 CZ ARG A 32 6.928 1.128 -9.171 1.00 0.00 C ATOM 421 NH1 ARG A 32 6.951 -0.192 -9.210 1.00 0.00 N ATOM 422 NH2 ARG A 32 6.877 1.802 -10.300 1.00 0.00 N ATOM 0 H ARG A 32 4.428 2.458 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 32 3.860 -0.050 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.523 1.300 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.391 -0.300 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.946 0.776 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.466 2.322 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.839 1.659 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.310 0.123 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 32 6.766 2.795 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.945 -0.728 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.975 -0.675 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.813 2.820 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.901 1.307 -11.191 1.00 0.00 H new ATOM 436 N ILE A 33 4.817 -1.744 -2.852 1.00 0.00 N ATOM 437 CA ILE A 33 5.129 -2.725 -1.829 1.00 0.00 C ATOM 438 C ILE A 33 6.639 -2.801 -1.671 1.00 0.00 C ATOM 439 O ILE A 33 7.346 -3.078 -2.631 1.00 0.00 O ATOM 440 CB ILE A 33 4.613 -4.149 -2.193 1.00 0.00 C ATOM 441 CG1 ILE A 33 3.097 -4.166 -2.340 1.00 0.00 C ATOM 442 CG2 ILE A 33 5.048 -5.148 -1.138 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.517 -5.514 -2.708 1.00 0.00 C ATOM 0 H ILE A 33 4.646 -2.143 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 33 4.637 -2.408 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 33 5.047 -4.430 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.650 -3.836 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.810 -3.441 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.682 -6.140 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.136 -5.166 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.639 -4.857 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.433 -5.433 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.931 -5.840 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.768 -6.241 -1.936 1.00 0.00 H new ATOM 455 N GLU A 34 7.125 -2.544 -0.488 1.00 0.00 N ATOM 456 CA GLU A 34 8.547 -2.616 -0.220 1.00 0.00 C ATOM 457 C GLU A 34 8.927 -3.859 0.621 1.00 0.00 C ATOM 458 O GLU A 34 10.110 -4.102 0.894 1.00 0.00 O ATOM 459 CB GLU A 34 9.058 -1.297 0.377 1.00 0.00 C ATOM 460 CG GLU A 34 9.107 -0.182 -0.616 1.00 0.00 C ATOM 461 CD GLU A 34 10.385 0.586 -0.472 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.468 1.485 0.382 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.355 0.278 -1.201 1.00 0.00 O ATOM 0 H GLU A 34 6.557 -2.280 0.317 1.00 0.00 H new ATOM 0 HA GLU A 34 9.061 -2.751 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.414 -1.008 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.056 -1.454 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.027 -0.582 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.256 0.483 -0.468 1.00 0.00 H new ATOM 470 N LYS A 35 7.909 -4.647 0.992 1.00 0.00 N ATOM 471 CA LYS A 35 8.053 -5.928 1.729 1.00 0.00 C ATOM 472 C LYS A 35 6.643 -6.455 1.996 1.00 0.00 C ATOM 473 O LYS A 35 5.719 -5.653 2.095 1.00 0.00 O ATOM 474 CB LYS A 35 8.798 -5.734 3.068 1.00 0.00 C ATOM 475 CG LYS A 35 9.134 -7.028 3.789 1.00 0.00 C ATOM 476 CD LYS A 35 9.931 -6.775 5.053 1.00 0.00 C ATOM 477 CE LYS A 35 10.215 -8.069 5.800 1.00 0.00 C ATOM 478 NZ LYS A 35 11.021 -9.016 4.995 1.00 0.00 N ATOM 0 H LYS A 35 6.937 -4.414 0.788 1.00 0.00 H new ATOM 0 HA LYS A 35 8.638 -6.630 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.721 -5.186 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.187 -5.114 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.213 -7.555 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.703 -7.678 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.872 -6.286 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.381 -6.093 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.742 -7.843 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.272 -8.541 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.347 -9.796 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.439 -9.397 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.844 -8.520 4.597 1.00 0.00 H new ATOM 492 N ILE A 36 6.452 -7.765 2.077 1.00 0.00 N ATOM 493 CA ILE A 36 5.113 -8.309 2.303 1.00 0.00 C ATOM 494 C ILE A 36 5.117 -9.228 3.537 1.00 0.00 C ATOM 495 O ILE A 36 6.128 -9.877 3.839 1.00 0.00 O ATOM 496 CB ILE A 36 4.601 -9.143 1.075 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.893 -8.417 -0.248 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.096 -9.399 1.206 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.398 -9.133 -1.489 1.00 0.00 C ATOM 0 H ILE A 36 7.191 -8.463 1.992 1.00 0.00 H new ATOM 0 HA ILE A 36 4.448 -7.459 2.454 1.00 0.00 H new ATOM 0 HB ILE A 36 5.132 -10.095 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.438 -7.427 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.969 -8.270 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.750 -9.978 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.900 -9.954 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.566 -8.447 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.649 -8.546 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.872 -10.112 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.317 -9.256 -1.431 1.00 0.00 H new ATOM 511 N ASP A 37 4.020 -9.227 4.263 1.00 0.00 N ATOM 512 CA ASP A 37 3.786 -10.145 5.365 1.00 0.00 C ATOM 513 C ASP A 37 2.402 -10.720 5.136 1.00 0.00 C ATOM 514 O ASP A 37 1.428 -9.989 5.135 1.00 0.00 O ATOM 515 CB ASP A 37 3.816 -9.411 6.718 1.00 0.00 C ATOM 516 CG ASP A 37 3.855 -10.365 7.888 1.00 0.00 C ATOM 517 OD1 ASP A 37 2.849 -11.027 8.171 1.00 0.00 O ATOM 518 OD2 ASP A 37 4.930 -10.459 8.545 1.00 0.00 O ATOM 0 H ASP A 37 3.250 -8.578 4.104 1.00 0.00 H new ATOM 0 HA ASP A 37 4.558 -10.914 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.688 -8.758 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.936 -8.773 6.802 1.00 0.00 H new ATOM 523 N TYR A 38 2.298 -11.995 4.925 1.00 0.00 N ATOM 524 CA TYR A 38 1.025 -12.589 4.574 1.00 0.00 C ATOM 525 C TYR A 38 0.393 -13.180 5.814 1.00 0.00 C ATOM 526 O TYR A 38 -0.835 -13.266 5.921 1.00 0.00 O ATOM 527 CB TYR A 38 1.190 -13.709 3.539 1.00 0.00 C ATOM 528 CG TYR A 38 2.012 -13.390 2.299 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.396 -13.493 2.322 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.405 -13.036 1.100 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.149 -13.246 1.196 1.00 0.00 C ATOM 532 CE2 TYR A 38 2.158 -12.796 -0.039 1.00 0.00 C ATOM 533 CZ TYR A 38 3.530 -12.903 0.019 1.00 0.00 C ATOM 534 OH TYR A 38 4.292 -12.671 -1.106 1.00 0.00 O ATOM 0 H TYR A 38 3.074 -12.654 4.987 1.00 0.00 H new ATOM 0 HA TYR A 38 0.398 -11.806 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.646 -14.565 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.197 -14.020 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.891 -13.772 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.330 -12.946 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.225 -13.322 1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.672 -12.527 -0.965 1.00 0.00 H new ATOM 0 HH TYR A 38 3.706 -12.440 -1.856 1.00 0.00 H new ATOM 544 N GLU A 39 1.255 -13.585 6.740 1.00 0.00 N ATOM 545 CA GLU A 39 0.869 -14.223 7.987 1.00 0.00 C ATOM 546 C GLU A 39 0.000 -13.289 8.792 1.00 0.00 C ATOM 547 O GLU A 39 -1.103 -13.657 9.216 1.00 0.00 O ATOM 548 CB GLU A 39 2.098 -14.631 8.826 1.00 0.00 C ATOM 549 CG GLU A 39 3.175 -15.429 8.089 1.00 0.00 C ATOM 550 CD GLU A 39 4.101 -14.563 7.253 1.00 0.00 C ATOM 551 OE1 GLU A 39 3.782 -14.252 6.077 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.176 -14.185 7.751 1.00 0.00 O ATOM 0 H GLU A 39 2.264 -13.475 6.639 1.00 0.00 H new ATOM 0 HA GLU A 39 0.315 -15.128 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.555 -13.727 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.754 -15.221 9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.767 -15.984 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.694 -16.163 7.443 1.00 0.00 H new ATOM 559 N GLU A 40 0.496 -12.089 9.008 1.00 0.00 N ATOM 560 CA GLU A 40 -0.265 -11.069 9.670 1.00 0.00 C ATOM 561 C GLU A 40 -1.208 -10.491 8.633 1.00 0.00 C ATOM 562 O GLU A 40 -2.394 -10.228 8.890 1.00 0.00 O ATOM 563 CB GLU A 40 0.674 -9.989 10.212 1.00 0.00 C ATOM 564 CG GLU A 40 -0.009 -8.912 11.020 1.00 0.00 C ATOM 565 CD GLU A 40 -0.712 -9.463 12.239 1.00 0.00 C ATOM 566 OE1 GLU A 40 -0.092 -9.561 13.321 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.899 -9.802 12.155 1.00 0.00 O ATOM 0 H GLU A 40 1.434 -11.801 8.729 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.823 -11.471 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.434 -10.464 10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.193 -9.523 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.729 -8.173 11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.732 -8.393 10.391 1.00 0.00 H new ATOM 574 N GLY A 41 -0.673 -10.352 7.448 1.00 0.00 N ATOM 575 CA GLY A 41 -1.418 -9.885 6.337 1.00 0.00 C ATOM 576 C GLY A 41 -1.373 -8.397 6.214 1.00 0.00 C ATOM 577 O GLY A 41 -2.394 -7.714 6.293 1.00 0.00 O ATOM 0 H GLY A 41 0.302 -10.565 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.028 -10.335 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.454 -10.209 6.434 1.00 0.00 H new ATOM 581 N LYS A 42 -0.195 -7.906 6.007 1.00 0.00 N ATOM 582 CA LYS A 42 0.079 -6.509 5.870 1.00 0.00 C ATOM 583 C LYS A 42 1.268 -6.372 4.972 1.00 0.00 C ATOM 584 O LYS A 42 2.055 -7.304 4.844 1.00 0.00 O ATOM 585 CB LYS A 42 0.370 -5.867 7.242 1.00 0.00 C ATOM 586 CG LYS A 42 1.531 -6.476 7.994 1.00 0.00 C ATOM 587 CD LYS A 42 1.811 -5.734 9.280 1.00 0.00 C ATOM 588 CE LYS A 42 2.975 -6.362 10.015 1.00 0.00 C ATOM 589 NZ LYS A 42 3.264 -5.687 11.295 1.00 0.00 N ATOM 0 H LYS A 42 0.638 -8.489 5.925 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.786 -5.997 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.567 -4.805 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.525 -5.943 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.314 -7.521 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.421 -6.462 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.032 -4.689 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.924 -5.747 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.757 -7.413 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.861 -6.328 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.069 -6.154 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.498 -4.690 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.429 -5.741 11.912 1.00 0.00 H new ATOM 603 N MET A 43 1.408 -5.282 4.335 1.00 0.00 N ATOM 604 CA MET A 43 2.549 -5.106 3.519 1.00 0.00 C ATOM 605 C MET A 43 3.224 -3.837 3.917 1.00 0.00 C ATOM 606 O MET A 43 2.631 -2.989 4.626 1.00 0.00 O ATOM 607 CB MET A 43 2.209 -5.127 1.997 1.00 0.00 C ATOM 608 CG MET A 43 1.641 -3.831 1.394 1.00 0.00 C ATOM 609 SD MET A 43 0.123 -3.236 2.166 1.00 0.00 S ATOM 610 CE MET A 43 -0.992 -4.603 1.873 1.00 0.00 C ATOM 0 H MET A 43 0.756 -4.498 4.357 1.00 0.00 H new ATOM 0 HA MET A 43 3.225 -5.947 3.675 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.115 -5.387 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.490 -5.927 1.821 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.399 -3.051 1.467 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.452 -3.993 0.333 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.010 -4.227 1.769 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.701 -5.120 0.959 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.946 -5.297 2.712 1.00 0.00 H new ATOM 620 N LEU A 44 4.454 -3.724 3.541 1.00 0.00 N ATOM 621 CA LEU A 44 5.180 -2.535 3.756 1.00 0.00 C ATOM 622 C LEU A 44 4.807 -1.656 2.584 1.00 0.00 C ATOM 623 O LEU A 44 5.382 -1.767 1.488 1.00 0.00 O ATOM 624 CB LEU A 44 6.697 -2.837 3.786 1.00 0.00 C ATOM 625 CG LEU A 44 7.632 -1.810 4.460 1.00 0.00 C ATOM 626 CD1 LEU A 44 9.068 -2.297 4.426 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.538 -0.449 3.824 1.00 0.00 C ATOM 0 H LEU A 44 4.979 -4.463 3.074 1.00 0.00 H new ATOM 0 HA LEU A 44 4.951 -2.056 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.836 -3.794 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.031 -2.966 2.757 1.00 0.00 H new ATOM 0 HG LEU A 44 7.305 -1.714 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.713 -1.561 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.143 -3.246 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.381 -2.435 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.214 0.238 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.816 -0.519 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.516 -0.079 3.905 1.00 0.00 H new ATOM 639 N VAL A 45 3.778 -0.903 2.777 1.00 0.00 N ATOM 640 CA VAL A 45 3.259 -0.054 1.777 1.00 0.00 C ATOM 641 C VAL A 45 3.998 1.254 1.771 1.00 0.00 C ATOM 642 O VAL A 45 3.961 2.047 2.715 1.00 0.00 O ATOM 643 CB VAL A 45 1.701 0.129 1.864 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.241 0.557 3.243 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.215 1.123 0.826 1.00 0.00 C ATOM 0 H VAL A 45 3.267 -0.865 3.659 1.00 0.00 H new ATOM 0 HA VAL A 45 3.426 -0.541 0.816 1.00 0.00 H new ATOM 0 HB VAL A 45 1.263 -0.848 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.157 0.669 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.530 -0.198 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.705 1.509 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.133 1.233 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.691 2.089 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.470 0.763 -0.170 1.00 0.00 H new ATOM 655 N HIS A 46 4.720 1.434 0.745 1.00 0.00 N ATOM 656 CA HIS A 46 5.464 2.601 0.528 1.00 0.00 C ATOM 657 C HIS A 46 4.563 3.607 -0.122 1.00 0.00 C ATOM 658 O HIS A 46 4.349 3.564 -1.340 1.00 0.00 O ATOM 659 CB HIS A 46 6.687 2.270 -0.345 1.00 0.00 C ATOM 660 CG HIS A 46 7.599 3.402 -0.738 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.911 3.403 -0.400 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.418 4.510 -1.505 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.508 4.423 -0.913 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.635 5.129 -1.595 1.00 0.00 N ATOM 0 H HIS A 46 4.814 0.743 0.000 1.00 0.00 H new ATOM 0 HA HIS A 46 5.837 3.018 1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.284 1.527 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.327 1.797 -1.259 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.363 2.695 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.493 4.838 -1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.556 4.659 -0.801 1.00 0.00 H new ATOM 673 N PHE A 47 3.947 4.434 0.698 1.00 0.00 N ATOM 674 CA PHE A 47 3.148 5.538 0.212 1.00 0.00 C ATOM 675 C PHE A 47 4.053 6.461 -0.553 1.00 0.00 C ATOM 676 O PHE A 47 5.277 6.416 -0.372 1.00 0.00 O ATOM 677 CB PHE A 47 2.476 6.300 1.374 1.00 0.00 C ATOM 678 CG PHE A 47 1.339 5.584 2.023 1.00 0.00 C ATOM 679 CD1 PHE A 47 1.555 4.548 2.903 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.038 5.967 1.753 1.00 0.00 C ATOM 681 CE1 PHE A 47 0.497 3.909 3.497 1.00 0.00 C ATOM 682 CE2 PHE A 47 -1.025 5.333 2.345 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.798 4.300 3.218 1.00 0.00 C ATOM 0 H PHE A 47 3.986 4.360 1.715 1.00 0.00 H new ATOM 0 HA PHE A 47 2.353 5.156 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.230 6.516 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.116 7.259 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.564 4.236 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.144 6.779 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.677 3.097 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.035 5.646 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.629 3.794 3.686 1.00 0.00 H new ATOM 693 N GLU A 48 3.508 7.325 -1.352 1.00 0.00 N ATOM 694 CA GLU A 48 4.337 8.180 -2.168 1.00 0.00 C ATOM 695 C GLU A 48 4.800 9.406 -1.346 1.00 0.00 C ATOM 696 O GLU A 48 4.599 10.568 -1.727 1.00 0.00 O ATOM 697 CB GLU A 48 3.616 8.552 -3.470 1.00 0.00 C ATOM 698 CG GLU A 48 4.530 9.115 -4.544 1.00 0.00 C ATOM 699 CD GLU A 48 3.823 9.326 -5.850 1.00 0.00 C ATOM 700 OE1 GLU A 48 3.687 8.350 -6.633 1.00 0.00 O ATOM 701 OE2 GLU A 48 3.393 10.461 -6.130 1.00 0.00 O ATOM 0 H GLU A 48 2.503 7.462 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 48 5.238 7.645 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.115 7.667 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.840 9.285 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.945 10.063 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.369 8.436 -4.695 1.00 0.00 H new ATOM 708 N ARG A 49 5.421 9.075 -0.218 1.00 0.00 N ATOM 709 CA ARG A 49 5.985 9.966 0.776 1.00 0.00 C ATOM 710 C ARG A 49 4.959 10.904 1.394 1.00 0.00 C ATOM 711 O ARG A 49 4.501 11.865 0.772 1.00 0.00 O ATOM 712 CB ARG A 49 7.201 10.710 0.242 1.00 0.00 C ATOM 713 CG ARG A 49 7.960 11.478 1.300 1.00 0.00 C ATOM 714 CD ARG A 49 9.249 12.056 0.751 1.00 0.00 C ATOM 715 NE ARG A 49 10.134 11.016 0.195 1.00 0.00 N ATOM 716 CZ ARG A 49 11.201 10.496 0.825 1.00 0.00 C ATOM 717 NH1 ARG A 49 11.399 10.729 2.128 1.00 0.00 N ATOM 718 NH2 ARG A 49 12.025 9.693 0.173 1.00 0.00 N ATOM 0 H ARG A 49 5.550 8.097 0.040 1.00 0.00 H new ATOM 0 HA ARG A 49 6.328 9.331 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.875 9.994 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.879 11.403 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.334 12.283 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.184 10.819 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.017 12.785 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.772 12.590 1.544 1.00 0.00 H new ATOM 0 HE ARG A 49 9.920 10.665 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.738 11.305 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.211 10.331 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.850 9.469 -0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.835 9.298 0.650 1.00 0.00 H new ATOM 732 N TRP A 50 4.600 10.621 2.614 1.00 0.00 N ATOM 733 CA TRP A 50 3.679 11.442 3.324 1.00 0.00 C ATOM 734 C TRP A 50 4.312 12.047 4.570 1.00 0.00 C ATOM 735 O TRP A 50 4.262 11.488 5.675 1.00 0.00 O ATOM 736 CB TRP A 50 2.274 10.784 3.557 1.00 0.00 C ATOM 737 CG TRP A 50 2.225 9.424 4.251 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.260 8.603 4.598 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.039 8.739 4.671 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.793 7.478 5.221 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.436 7.532 5.278 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.313 9.033 4.598 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.524 6.630 5.808 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.216 8.136 5.118 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.797 6.949 5.718 1.00 0.00 C ATOM 0 H TRP A 50 4.940 9.815 3.138 1.00 0.00 H new ATOM 0 HA TRP A 50 3.445 12.281 2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.673 11.479 4.142 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.788 10.681 2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.302 8.813 4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.371 6.720 5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.652 9.951 4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.849 5.711 6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.272 8.355 5.061 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.534 6.269 6.119 1.00 0.00 H new ATOM 756 N SER A 51 4.997 13.149 4.327 1.00 0.00 N ATOM 757 CA SER A 51 5.656 13.968 5.317 1.00 0.00 C ATOM 758 C SER A 51 6.877 13.267 5.962 1.00 0.00 C ATOM 759 O SER A 51 7.993 13.346 5.426 1.00 0.00 O ATOM 760 CB SER A 51 4.652 14.532 6.351 1.00 0.00 C ATOM 761 OG SER A 51 5.254 15.493 7.211 1.00 0.00 O ATOM 0 H SER A 51 5.112 13.513 3.381 1.00 0.00 H new ATOM 0 HA SER A 51 6.072 14.829 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.812 14.989 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.249 13.714 6.948 1.00 0.00 H new ATOM 0 HG SER A 51 4.587 15.826 7.847 1.00 0.00 H new ATOM 767 N HIS A 52 6.677 12.557 7.058 1.00 0.00 N ATOM 768 CA HIS A 52 7.786 11.923 7.768 1.00 0.00 C ATOM 769 C HIS A 52 7.992 10.523 7.248 1.00 0.00 C ATOM 770 O HIS A 52 9.116 10.029 7.163 1.00 0.00 O ATOM 771 CB HIS A 52 7.475 11.845 9.271 1.00 0.00 C ATOM 772 CG HIS A 52 8.642 11.436 10.148 1.00 0.00 C ATOM 773 ND1 HIS A 52 9.431 12.340 10.818 1.00 0.00 N ATOM 774 CD2 HIS A 52 9.130 10.216 10.470 1.00 0.00 C ATOM 775 CE1 HIS A 52 10.349 11.697 11.507 1.00 0.00 C ATOM 776 NE2 HIS A 52 10.192 10.407 11.313 1.00 0.00 N ATOM 0 H HIS A 52 5.761 12.402 7.479 1.00 0.00 H new ATOM 0 HA HIS A 52 8.685 12.518 7.607 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.115 12.819 9.603 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.661 11.136 9.422 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.751 9.265 10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.105 12.153 12.128 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.766 9.670 11.722 1.00 0.00 H new ATOM 785 N ARG A 53 6.914 9.901 6.901 1.00 0.00 N ATOM 786 CA ARG A 53 6.927 8.525 6.504 1.00 0.00 C ATOM 787 C ARG A 53 6.944 8.433 4.982 1.00 0.00 C ATOM 788 O ARG A 53 6.213 9.151 4.303 1.00 0.00 O ATOM 789 CB ARG A 53 5.672 7.828 7.062 1.00 0.00 C ATOM 790 CG ARG A 53 5.521 7.891 8.583 1.00 0.00 C ATOM 791 CD ARG A 53 6.502 6.978 9.304 1.00 0.00 C ATOM 792 NE ARG A 53 6.154 5.550 9.166 1.00 0.00 N ATOM 793 CZ ARG A 53 7.033 4.540 9.022 1.00 0.00 C ATOM 794 NH1 ARG A 53 8.331 4.798 8.863 1.00 0.00 N ATOM 795 NH2 ARG A 53 6.598 3.278 9.041 1.00 0.00 N ATOM 0 H ARG A 53 5.990 10.333 6.884 1.00 0.00 H new ATOM 0 HA ARG A 53 7.817 8.034 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.791 8.279 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.689 6.782 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.672 8.917 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.503 7.613 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.504 7.144 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.528 7.241 10.361 1.00 0.00 H new ATOM 0 HE ARG A 53 5.163 5.308 9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.661 5.763 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.994 4.030 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.604 3.083 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.259 2.509 8.932 1.00 0.00 H new ATOM 809 N TYR A 54 7.793 7.605 4.449 1.00 0.00 N ATOM 810 CA TYR A 54 7.801 7.364 3.017 1.00 0.00 C ATOM 811 C TYR A 54 7.419 5.919 2.762 1.00 0.00 C ATOM 812 O TYR A 54 7.362 5.455 1.634 1.00 0.00 O ATOM 813 CB TYR A 54 9.159 7.736 2.350 1.00 0.00 C ATOM 814 CG TYR A 54 10.371 6.940 2.806 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.733 5.761 2.164 1.00 0.00 C ATOM 816 CD2 TYR A 54 11.156 7.373 3.864 1.00 0.00 C ATOM 817 CE1 TYR A 54 11.831 5.035 2.566 1.00 0.00 C ATOM 818 CE2 TYR A 54 12.258 6.650 4.272 1.00 0.00 C ATOM 819 CZ TYR A 54 12.592 5.482 3.620 1.00 0.00 C ATOM 820 OH TYR A 54 13.693 4.745 4.041 1.00 0.00 O ATOM 0 H TYR A 54 8.492 7.081 4.974 1.00 0.00 H new ATOM 0 HA TYR A 54 7.066 8.020 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.056 7.615 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.354 8.792 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.141 5.408 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.901 8.289 4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.093 4.120 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.858 6.998 5.100 1.00 0.00 H new ATOM 0 HH TYR A 54 14.122 5.200 4.795 1.00 0.00 H new ATOM 830 N ASP A 55 7.139 5.234 3.841 1.00 0.00 N ATOM 831 CA ASP A 55 6.743 3.847 3.842 1.00 0.00 C ATOM 832 C ASP A 55 5.975 3.619 5.118 1.00 0.00 C ATOM 833 O ASP A 55 6.071 4.451 6.024 1.00 0.00 O ATOM 834 CB ASP A 55 7.974 2.918 3.785 1.00 0.00 C ATOM 835 CG ASP A 55 8.853 2.946 5.039 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.791 3.766 5.108 1.00 0.00 O ATOM 837 OD2 ASP A 55 8.657 2.121 5.955 1.00 0.00 O ATOM 0 H ASP A 55 7.182 5.640 4.776 1.00 0.00 H new ATOM 0 HA ASP A 55 6.134 3.622 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.634 1.896 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.583 3.196 2.924 1.00 0.00 H new ATOM 842 N GLU A 56 5.178 2.567 5.182 1.00 0.00 N ATOM 843 CA GLU A 56 4.412 2.257 6.369 1.00 0.00 C ATOM 844 C GLU A 56 3.887 0.804 6.279 1.00 0.00 C ATOM 845 O GLU A 56 3.715 0.289 5.199 1.00 0.00 O ATOM 846 CB GLU A 56 3.249 3.279 6.501 1.00 0.00 C ATOM 847 CG GLU A 56 2.478 3.196 7.794 1.00 0.00 C ATOM 848 CD GLU A 56 3.382 3.346 8.984 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.628 4.480 9.438 1.00 0.00 O ATOM 850 OE2 GLU A 56 3.882 2.319 9.489 1.00 0.00 O ATOM 0 H GLU A 56 5.046 1.908 4.415 1.00 0.00 H new ATOM 0 HA GLU A 56 5.037 2.332 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.655 4.285 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.557 3.130 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.715 3.974 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.959 2.239 7.848 1.00 0.00 H new ATOM 857 N TRP A 57 3.679 0.151 7.406 1.00 0.00 N ATOM 858 CA TRP A 57 3.141 -1.227 7.417 1.00 0.00 C ATOM 859 C TRP A 57 1.662 -1.215 7.656 1.00 0.00 C ATOM 860 O TRP A 57 1.205 -0.809 8.734 1.00 0.00 O ATOM 861 CB TRP A 57 3.802 -2.086 8.483 1.00 0.00 C ATOM 862 CG TRP A 57 5.178 -2.523 8.153 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.330 -1.844 8.364 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.544 -3.768 7.559 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.395 -2.583 7.933 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.937 -3.774 7.433 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.820 -4.879 7.114 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.626 -4.845 6.889 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.505 -5.943 6.573 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.891 -5.918 6.466 1.00 0.00 C ATOM 0 H TRP A 57 3.868 0.537 8.331 1.00 0.00 H new ATOM 0 HA TRP A 57 3.357 -1.656 6.439 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.826 -1.527 9.419 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.185 -2.968 8.655 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.397 -0.862 8.808 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.373 -2.295 7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.743 -4.901 7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.702 -4.833 6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.959 -6.808 6.227 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.401 -6.768 6.038 1.00 0.00 H new ATOM 881 N ILE A 58 0.899 -1.650 6.679 1.00 0.00 N ATOM 882 CA ILE A 58 -0.547 -1.641 6.799 1.00 0.00 C ATOM 883 C ILE A 58 -1.122 -2.926 6.205 1.00 0.00 C ATOM 884 O ILE A 58 -0.561 -3.481 5.273 1.00 0.00 O ATOM 885 CB ILE A 58 -1.185 -0.381 6.114 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.550 0.901 6.670 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.698 -0.339 6.356 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.011 2.157 6.007 1.00 0.00 C ATOM 0 H ILE A 58 1.251 -2.014 5.794 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.797 -1.589 7.859 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.998 -0.448 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.768 0.967 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.533 0.828 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.119 0.542 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.158 -1.236 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.894 -0.294 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.512 3.013 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.769 2.118 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.089 2.258 6.130 1.00 0.00 H new ATOM 900 N TYR A 59 -2.207 -3.398 6.792 1.00 0.00 N ATOM 901 CA TYR A 59 -2.892 -4.623 6.396 1.00 0.00 C ATOM 902 C TYR A 59 -3.542 -4.459 5.025 1.00 0.00 C ATOM 903 O TYR A 59 -3.744 -3.317 4.587 1.00 0.00 O ATOM 904 CB TYR A 59 -3.955 -4.972 7.447 1.00 0.00 C ATOM 905 CG TYR A 59 -3.406 -5.111 8.856 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.951 -6.330 9.333 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.345 -4.014 9.708 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.451 -6.452 10.614 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.847 -4.128 10.985 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.401 -5.348 11.436 1.00 0.00 C ATOM 911 OH TYR A 59 -1.906 -5.464 12.727 1.00 0.00 O ATOM 0 H TYR A 59 -2.652 -2.928 7.581 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.164 -5.431 6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.724 -4.199 7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.440 -5.906 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.988 -7.199 8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.696 -3.053 9.360 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.100 -7.409 10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.806 -3.263 11.631 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.940 -4.591 13.170 1.00 0.00 H new ATOM 921 N TRP A 60 -3.912 -5.610 4.390 1.00 0.00 N ATOM 922 CA TRP A 60 -4.491 -5.670 3.011 1.00 0.00 C ATOM 923 C TRP A 60 -5.541 -4.573 2.803 1.00 0.00 C ATOM 924 O TRP A 60 -5.548 -3.891 1.784 1.00 0.00 O ATOM 925 CB TRP A 60 -5.152 -7.035 2.716 1.00 0.00 C ATOM 926 CG TRP A 60 -4.345 -8.272 3.055 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.724 -9.259 3.918 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.046 -8.664 2.557 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.767 -10.235 3.979 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.729 -9.897 3.164 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.123 -8.107 1.666 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.544 -10.576 2.911 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.942 -8.794 1.425 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.668 -10.010 2.044 1.00 0.00 C ATOM 0 H TRP A 60 -3.817 -6.529 4.823 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.655 -5.523 2.327 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.093 -7.082 3.264 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.399 -7.071 1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.649 -9.268 4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.822 -11.082 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.325 -7.165 1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.328 -11.521 3.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.218 -8.375 0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.263 -10.514 1.829 1.00 0.00 H new ATOM 945 N ASP A 61 -6.443 -4.445 3.757 1.00 0.00 N ATOM 946 CA ASP A 61 -7.367 -3.333 3.796 1.00 0.00 C ATOM 947 C ASP A 61 -7.741 -3.037 5.223 1.00 0.00 C ATOM 948 O ASP A 61 -8.734 -3.522 5.768 1.00 0.00 O ATOM 949 CB ASP A 61 -8.617 -3.433 2.867 1.00 0.00 C ATOM 950 CG ASP A 61 -9.612 -4.521 3.196 1.00 0.00 C ATOM 951 OD1 ASP A 61 -9.277 -5.721 3.139 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.775 -4.176 3.520 1.00 0.00 O ATOM 0 H ASP A 61 -6.554 -5.108 4.524 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.824 -2.492 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.137 -2.476 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.272 -3.584 1.844 1.00 0.00 H new ATOM 957 N SER A 62 -6.879 -2.306 5.859 1.00 0.00 N ATOM 958 CA SER A 62 -7.079 -1.945 7.225 1.00 0.00 C ATOM 959 C SER A 62 -8.088 -0.790 7.328 1.00 0.00 C ATOM 960 O SER A 62 -8.894 -0.752 8.246 1.00 0.00 O ATOM 961 CB SER A 62 -5.736 -1.575 7.856 1.00 0.00 C ATOM 962 OG SER A 62 -5.831 -1.449 9.253 1.00 0.00 O ATOM 0 H SER A 62 -6.019 -1.944 5.446 1.00 0.00 H new ATOM 0 HA SER A 62 -7.493 -2.792 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.997 -2.337 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.381 -0.637 7.430 1.00 0.00 H new ATOM 0 HG SER A 62 -4.954 -1.214 9.621 1.00 0.00 H new ATOM 968 N ASN A 63 -8.071 0.110 6.335 1.00 0.00 N ATOM 969 CA ASN A 63 -8.951 1.302 6.301 1.00 0.00 C ATOM 970 C ASN A 63 -8.603 2.188 5.109 1.00 0.00 C ATOM 971 O ASN A 63 -9.458 2.921 4.605 1.00 0.00 O ATOM 972 CB ASN A 63 -8.900 2.166 7.601 1.00 0.00 C ATOM 973 CG ASN A 63 -7.552 2.808 7.849 1.00 0.00 C ATOM 974 OD1 ASN A 63 -7.277 3.896 7.357 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.727 2.166 8.633 1.00 0.00 N ATOM 0 H ASN A 63 -7.449 0.038 5.530 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.965 0.911 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.659 2.946 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.157 1.539 8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.817 2.569 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.993 1.262 9.023 1.00 0.00 H new ATOM 982 N ARG A 64 -7.344 2.138 4.653 1.00 0.00 N ATOM 983 CA ARG A 64 -6.955 2.951 3.508 1.00 0.00 C ATOM 984 C ARG A 64 -6.108 2.138 2.502 1.00 0.00 C ATOM 985 O ARG A 64 -5.342 2.683 1.747 1.00 0.00 O ATOM 986 CB ARG A 64 -6.207 4.259 3.939 1.00 0.00 C ATOM 987 CG ARG A 64 -4.701 4.161 4.141 1.00 0.00 C ATOM 988 CD ARG A 64 -4.301 3.482 5.409 1.00 0.00 C ATOM 989 NE ARG A 64 -4.717 4.255 6.594 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.912 4.704 7.580 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.607 4.468 7.547 1.00 0.00 N ATOM 992 NH2 ARG A 64 -4.422 5.407 8.578 1.00 0.00 N ATOM 0 H ARG A 64 -6.603 1.560 5.049 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.876 3.254 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.398 5.022 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.651 4.612 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.266 3.622 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.277 5.165 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.748 2.489 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.220 3.346 5.424 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.710 4.472 6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.203 3.943 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.007 4.812 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.422 5.609 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.816 5.747 9.324 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.306 0.858 2.449 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.528 0.017 1.534 1.00 0.00 C ATOM 1008 C LEU A 65 -6.451 -0.715 0.565 1.00 0.00 C ATOM 1009 O LEU A 65 -7.556 -1.124 0.955 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.607 -0.940 2.316 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.117 -0.566 2.361 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.540 -0.548 0.968 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.896 0.779 3.021 1.00 0.00 C ATOM 0 H LEU A 65 -6.990 0.356 3.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.878 0.654 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.974 -1.007 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.697 -1.935 1.879 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.609 -1.323 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.484 -0.282 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.646 -1.535 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.073 0.186 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.830 1.007 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.426 1.550 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.273 0.749 4.043 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.054 -0.815 -0.704 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.890 -1.448 -1.702 1.00 0.00 C ATOM 1027 C ARG A 66 -6.086 -2.302 -2.715 1.00 0.00 C ATOM 1028 O ARG A 66 -5.069 -1.822 -3.345 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.762 -0.404 -2.424 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.827 -0.997 -3.335 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.822 0.056 -3.796 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.226 1.079 -4.661 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.716 2.318 -4.840 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -10.741 2.749 -4.104 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -9.159 3.128 -5.737 1.00 0.00 N ATOM 0 H ARG A 66 -5.163 -0.465 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.541 -2.141 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.248 0.224 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.116 0.245 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.351 -1.453 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.356 -1.791 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.636 -0.433 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.260 0.539 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.375 0.832 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.157 2.138 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.109 3.690 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.362 2.808 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.529 4.068 -5.874 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.495 -3.610 -2.830 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.958 -4.569 -3.805 1.00 0.00 C ATOM 1051 C PRO A 67 -6.414 -4.277 -5.244 1.00 0.00 C ATOM 1052 O PRO A 67 -7.119 -3.302 -5.497 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.512 -5.926 -3.330 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.011 -5.678 -1.955 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.478 -4.264 -1.951 1.00 0.00 C ATOM 0 HA PRO A 67 -4.869 -4.528 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.312 -6.276 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.737 -6.693 -3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.823 -6.360 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.224 -5.833 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.494 -4.170 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.475 -3.837 -0.948 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.037 -5.151 -6.162 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.263 -4.960 -7.596 1.00 0.00 C ATOM 1065 C LEU A 68 -7.653 -5.393 -7.964 1.00 0.00 C ATOM 1066 O LEU A 68 -7.837 -6.578 -8.302 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.283 -5.844 -8.364 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.634 -5.273 -9.637 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.670 -6.280 -10.221 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -5.677 -4.888 -10.680 1.00 0.00 C ATOM 0 H LEU A 68 -5.560 -6.024 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.126 -3.907 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.483 -6.126 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.806 -6.760 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.094 -4.368 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.215 -5.868 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.892 -6.504 -9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.207 -7.195 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.178 -4.489 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.257 -5.768 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.343 -4.131 -10.266 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.642 -4.448 -7.886 1.00 0.00 N ATOM 1083 CA GLU A 69 -10.078 -4.727 -8.179 1.00 0.00 C ATOM 1084 C GLU A 69 -10.460 -6.110 -7.661 1.00 0.00 C ATOM 1085 O GLU A 69 -11.100 -6.910 -8.344 1.00 0.00 O ATOM 1086 CB GLU A 69 -10.410 -4.502 -9.679 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.460 -5.155 -10.668 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.809 -4.861 -12.093 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.352 -3.834 -12.640 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -10.534 -5.676 -12.719 1.00 0.00 O ATOM 0 H GLU A 69 -8.463 -3.480 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.700 -4.010 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.416 -4.875 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.426 -3.429 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.445 -4.811 -10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.467 -6.234 -10.513 1.00 0.00 H new ATOM 1097 N ARG A 70 -10.056 -6.304 -6.399 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.008 -7.557 -5.651 1.00 0.00 C ATOM 1099 C ARG A 70 -11.161 -8.511 -5.986 1.00 0.00 C ATOM 1100 O ARG A 70 -12.304 -8.298 -5.556 1.00 0.00 O ATOM 1101 CB ARG A 70 -10.043 -7.206 -4.173 1.00 0.00 C ATOM 1102 CG ARG A 70 -9.735 -8.319 -3.194 1.00 0.00 C ATOM 1103 CD ARG A 70 -9.914 -7.772 -1.796 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.333 -8.595 -0.744 1.00 0.00 N ATOM 1105 CZ ARG A 70 -9.106 -8.148 0.494 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -9.450 -6.900 0.811 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -8.526 -8.930 1.402 1.00 0.00 N ATOM 0 H ARG A 70 -9.728 -5.521 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.095 -8.085 -5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.333 -6.397 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.034 -6.816 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.399 -9.167 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.716 -8.680 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.469 -6.778 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.980 -7.654 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.087 -9.560 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.882 -6.297 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.281 -6.548 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.250 -9.880 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.357 -8.579 2.345 1.00 0.00 H new TER 1121 ARG A 70