Browse entries in the PDBbind-CN Database
HEADER 4UAT_COMPLEX COMPND 4UAT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 225 MET ILE GLU ALA ILE LEU PHE ASP VAL ASN GLY THR LEU SEQRES 2 A 225 ALA GLU THR GLU GLU LEU HIS ARG ARG ALA PHE ASN GLU SEQRES 3 A 225 THR PHE ALA ALA LEU GLY VAL ASP TRP PHE TRP ASP ARG SEQRES 4 A 225 GLU GLU TYR ARG GLU LEU LEU THR THR THR GLY GLY LYS SEQRES 5 A 225 GLU ARG ILE ALA ARG PHE LEU ARG HIS GLN LYS GLY ASP SEQRES 6 A 225 PRO ALA PRO LEU PRO ILE ALA ASP ILE HIS ARG ALA LYS SEQRES 7 A 225 THR GLU ARG PHE VAL ALA LEU MET ALA GLU GLY GLU ILE SEQRES 8 A 225 ALA LEU ARG PRO GLY ILE ALA ASP LEU ILE ALA GLU ALA SEQRES 9 A 225 LYS ARG ALA GLY ILE ARG LEU ALA VAL ALA THR THR THR SEQRES 10 A 225 SER LEU PRO ASN VAL GLU ALA LEU CYS ARG ALA CYS PHE SEQRES 11 A 225 GLY HIS PRO ALA ARG GLU ILE PHE ASP VAL ILE ALA ALA SEQRES 12 A 225 GLY ASP MET VAL ALA GLU LYS LYS PRO SER PRO ASP ILE SEQRES 13 A 225 TYR ARG LEU ALA LEU ARG GLU LEU ASP VAL PRO PRO GLU SEQRES 14 A 225 ARG ALA VAL ALA LEU GLU ASP SER LEU ASN GLY LEU ARG SEQRES 15 A 225 ALA ALA LYS GLY ALA GLY LEU ARG CYS ILE VAL SER PRO SEQRES 16 A 225 GLY PHE TYR THR ARG HIS GLU GLU PHE ALA GLY ALA ASP SEQRES 17 A 225 ARG LEU LEU ASP SER PHE ALA GLU LEU GLY GLY LEU ALA SEQRES 18 A 225 GLY LEU ASP LEU HET MG A 1 1 HET XBP A 574 26 ATOM 1 N MET A 1 3.770 -23.206 35.691 1.00 25.05 N ATOM 2 CA MET A 1 4.652 -22.082 36.021 1.00 21.25 C ATOM 3 C MET A 1 4.001 -20.773 35.609 1.00 20.66 C ATOM 4 O MET A 1 3.251 -20.711 34.658 1.00 22.88 O ATOM 5 CB MET A 1 5.978 -22.204 35.292 1.00 22.97 C ATOM 6 CG MET A 1 7.002 -21.134 35.676 1.00 30.30 C ATOM 7 SD MET A 1 7.165 -20.965 37.469 1.00 35.49 S ATOM 8 CE MET A 1 7.758 -22.665 37.761 1.00 21.10 C ATOM 9 HN3 MET A 1 3.595 -23.218 34.666 1.00 0.00 H ATOM 10 HN2 MET A 1 2.868 -23.097 36.197 1.00 0.00 H ATOM 11 HN1 MET A 1 4.224 -24.097 35.977 1.00 0.00 H ATOM 12 N ILE A 2 4.328 -19.703 36.333 1.00 18.77 N ATOM 13 CA ILE A 2 3.771 -18.392 35.975 1.00 17.16 C ATOM 14 C ILE A 2 4.364 -17.913 34.628 1.00 16.10 C ATOM 15 O ILE A 2 5.473 -18.297 34.252 1.00 17.98 O ATOM 16 CB ILE A 2 3.973 -17.346 37.107 1.00 17.95 C ATOM 17 CG1 ILE A 2 5.444 -16.741 37.197 1.00 20.21 C ATOM 18 CG2 ILE A 2 3.299 -17.824 38.371 1.00 23.90 C ATOM 19 CD1 ILE A 2 6.631 -17.595 37.423 1.00 27.36 C ATOM 20 H ILE A 2 4.972 -19.795 37.144 1.00 0.00 H ATOM 21 N GLU A 3 3.654 -17.019 33.963 1.00 14.42 N ATOM 22 CA GLU A 3 4.066 -16.391 32.755 1.00 15.12 C ATOM 23 C GLU A 3 4.678 -15.008 32.949 1.00 13.77 C ATOM 24 O GLU A 3 5.345 -14.470 32.033 1.00 15.59 O ATOM 25 CB GLU A 3 2.866 -16.298 31.789 1.00 18.00 C ATOM 26 CG GLU A 3 2.276 -17.601 31.396 1.00 25.70 C ATOM 27 CD GLU A 3 1.301 -17.445 30.229 1.00 26.67 C ATOM 28 OE1 GLU A 3 0.731 -16.297 29.976 1.00 32.13 O ATOM 29 OE2 GLU A 3 1.211 -18.493 29.526 1.00 42.83 O ATOM 30 H GLU A 3 2.726 -16.755 34.351 1.00 0.00 H ATOM 31 N ALA A 4 4.421 -14.383 34.060 1.00 12.14 N ATOM 32 CA ALA A 4 4.947 -13.068 34.349 1.00 10.96 C ATOM 33 C ALA A 4 5.031 -12.886 35.841 1.00 9.36 C ATOM 34 O ALA A 4 4.202 -13.385 36.593 1.00 11.11 O ATOM 35 CB ALA A 4 4.095 -11.932 33.785 1.00 12.75 C ATOM 36 H ALA A 4 3.815 -14.846 34.767 1.00 0.00 H ATOM 37 N ILE A 5 6.037 -12.115 36.257 1.00 8.99 N ATOM 38 CA ILE A 5 6.250 -11.666 37.642 1.00 8.27 C ATOM 39 C ILE A 5 6.188 -10.158 37.676 1.00 9.39 C ATOM 40 O ILE A 5 6.875 -9.501 36.904 1.00 9.13 O ATOM 41 CB ILE A 5 7.570 -12.152 38.247 1.00 11.05 C ATOM 42 CG1 ILE A 5 7.792 -13.693 38.051 1.00 11.17 C ATOM 43 CG2 ILE A 5 7.621 -11.814 39.759 1.00 11.02 C ATOM 44 CD1 ILE A 5 9.221 -14.102 38.313 1.00 12.11 C ATOM 45 H ILE A 5 6.728 -11.806 35.544 1.00 0.00 H ATOM 46 N LEU A 6 5.400 -9.632 38.592 1.00 7.77 N ATOM 47 CA LEU A 6 5.271 -8.190 38.756 1.00 7.52 C ATOM 48 C LEU A 6 5.816 -7.816 40.137 1.00 7.58 C ATOM 49 O LEU A 6 5.419 -8.381 41.143 1.00 10.08 O ATOM 50 CB LEU A 6 3.809 -7.769 38.689 1.00 8.10 C ATOM 51 CG LEU A 6 3.118 -7.995 37.301 1.00 9.01 C ATOM 52 CD1 LEU A 6 2.655 -9.407 37.077 1.00 11.72 C ATOM 53 CD2 LEU A 6 1.978 -7.036 37.085 1.00 10.28 C ATOM 54 H LEU A 6 4.856 -10.263 39.214 1.00 0.00 H ATOM 55 N PHE A 7 6.837 -6.985 40.109 1.00 7.65 N ATOM 56 CA PHE A 7 7.535 -6.530 41.304 1.00 6.91 C ATOM 57 C PHE A 7 7.150 -5.153 41.747 1.00 6.78 C ATOM 58 O PHE A 7 7.258 -4.205 40.955 1.00 7.54 O ATOM 59 CB PHE A 7 9.060 -6.486 41.062 1.00 7.88 C ATOM 60 CG PHE A 7 9.722 -7.823 40.784 1.00 8.59 C ATOM 61 CD1 PHE A 7 9.680 -8.377 39.528 1.00 8.97 C ATOM 62 CD2 PHE A 7 10.347 -8.512 41.802 1.00 8.90 C ATOM 63 CE1 PHE A 7 10.312 -9.576 39.278 1.00 10.56 C ATOM 64 CE2 PHE A 7 10.967 -9.726 41.583 1.00 10.84 C ATOM 65 CZ PHE A 7 10.905 -10.257 40.287 1.00 10.78 C ATOM 66 H PHE A 7 7.162 -6.635 39.185 1.00 0.00 H ATOM 67 N ASP A 8 6.773 -5.036 43.000 1.00 7.65 N ATOM 68 CA ASP A 8 6.852 -3.771 43.683 1.00 6.88 C ATOM 69 C ASP A 8 8.302 -3.301 43.711 1.00 7.50 C ATOM 70 O ASP A 8 9.244 -4.094 43.543 1.00 7.59 O ATOM 71 CB ASP A 8 6.313 -3.961 45.075 1.00 9.68 C ATOM 72 CG ASP A 8 6.307 -2.722 45.882 1.00 8.73 C ATOM 73 OD1 ASP A 8 5.735 -1.725 45.378 1.00 9.52 O ATOM 74 OD2 ASP A 8 6.900 -2.702 46.981 1.00 8.82 O ATOM 75 H ASP A 8 6.412 -5.870 43.506 1.00 0.00 H ATOM 76 N VAL A 9 8.529 -2.030 44.018 1.00 7.01 N ATOM 77 CA VAL A 9 9.882 -1.496 44.119 1.00 7.29 C ATOM 78 C VAL A 9 10.279 -1.274 45.588 1.00 6.39 C ATOM 79 O VAL A 9 11.127 -2.025 46.112 1.00 7.00 O ATOM 80 CB VAL A 9 10.080 -0.265 43.257 1.00 7.67 C ATOM 81 CG1 VAL A 9 11.485 0.371 43.505 1.00 9.70 C ATOM 82 CG2 VAL A 9 9.913 -0.634 41.793 1.00 7.74 C ATOM 83 H VAL A 9 7.721 -1.399 44.191 1.00 0.00 H ATOM 84 N ASN A 10 9.720 -0.261 46.263 1.00 6.81 N ATOM 85 CA ASN A 10 10.209 0.105 47.558 1.00 6.33 C ATOM 86 C ASN A 10 9.811 -0.929 48.607 1.00 6.73 C ATOM 87 O ASN A 10 8.637 -1.255 48.793 1.00 7.89 O ATOM 88 CB ASN A 10 9.706 1.512 47.937 1.00 7.69 C ATOM 89 CG ASN A 10 10.222 2.553 46.988 1.00 7.54 C ATOM 90 OD1 ASN A 10 11.487 2.710 46.900 1.00 8.47 O ATOM 91 ND2 ASN A 10 9.384 3.276 46.297 1.00 8.35 N ATOM 92 HD22 ASN A 10 8.360 3.121 46.394 1.00 0.00 H ATOM 93 HD21 ASN A 10 9.740 4.008 45.649 1.00 0.00 H ATOM 94 H ASN A 10 8.926 0.263 45.844 1.00 0.00 H ATOM 95 N GLY A 11 10.839 -1.393 49.313 1.00 6.90 N ATOM 96 CA GLY A 11 10.708 -2.452 50.268 1.00 7.21 C ATOM 97 C GLY A 11 10.685 -3.859 49.720 1.00 7.50 C ATOM 98 O GLY A 11 10.714 -4.809 50.479 1.00 7.43 O ATOM 99 H GLY A 11 11.777 -0.969 49.165 1.00 0.00 H ATOM 100 N THR A 12 10.682 -3.976 48.403 1.00 7.50 N ATOM 101 CA THR A 12 10.554 -5.262 47.700 1.00 8.32 C ATOM 102 C THR A 12 11.854 -5.576 46.959 1.00 6.91 C ATOM 103 O THR A 12 12.521 -6.523 47.276 1.00 8.54 O ATOM 104 CB THR A 12 9.271 -5.292 46.838 1.00 8.39 C ATOM 105 OG1 THR A 12 8.111 -5.140 47.671 1.00 9.04 O ATOM 106 CG2 THR A 12 9.145 -6.610 46.070 1.00 8.69 C ATOM 107 HG1 THR A 12 8.161 -4.275 48.149 1.00 0.00 H ATOM 108 H THR A 12 10.775 -3.111 47.833 1.00 0.00 H ATOM 109 N LEU A 13 12.147 -4.805 45.933 1.00 7.79 N ATOM 110 CA LEU A 13 13.437 -4.942 45.281 1.00 7.97 C ATOM 111 C LEU A 13 14.588 -4.614 46.208 1.00 8.55 C ATOM 112 O LEU A 13 15.638 -5.271 46.180 1.00 9.06 O ATOM 113 CB LEU A 13 13.600 -4.053 44.029 1.00 7.64 C ATOM 114 CG LEU A 13 12.655 -4.419 42.839 1.00 7.94 C ATOM 115 CD1 LEU A 13 12.834 -3.440 41.721 1.00 8.17 C ATOM 116 CD2 LEU A 13 12.781 -5.860 42.388 1.00 9.61 C ATOM 117 H LEU A 13 11.460 -4.103 45.592 1.00 0.00 H ATOM 118 N ALA A 14 14.447 -3.608 47.106 1.00 8.26 N ATOM 119 CA ALA A 14 15.473 -3.133 47.964 1.00 8.01 C ATOM 120 C ALA A 14 14.802 -2.466 49.154 1.00 8.44 C ATOM 121 O ALA A 14 13.674 -1.947 49.021 1.00 8.09 O ATOM 122 CB ALA A 14 16.430 -2.156 47.248 1.00 8.74 C ATOM 123 H ALA A 14 13.516 -3.149 47.171 1.00 0.00 H ATOM 124 N GLU A 15 15.472 -2.404 50.289 1.00 8.34 N ATOM 125 CA GLU A 15 15.028 -1.664 51.450 1.00 8.58 C ATOM 126 C GLU A 15 15.471 -0.223 51.230 1.00 8.23 C ATOM 127 O GLU A 15 16.668 0.119 51.294 1.00 7.46 O ATOM 128 CB GLU A 15 15.613 -2.339 52.724 1.00 9.81 C ATOM 129 CG GLU A 15 15.217 -1.796 54.077 1.00 10.62 C ATOM 130 CD GLU A 15 13.741 -1.810 54.410 1.00 11.38 C ATOM 131 OE1 GLU A 15 13.315 -2.918 54.674 1.00 19.95 O ATOM 132 OE2 GLU A 15 13.078 -0.779 54.533 1.00 9.35 O ATOM 133 H GLU A 15 16.374 -2.918 50.353 1.00 0.00 H ATOM 134 N THR A 16 14.527 0.613 50.845 1.00 7.87 N ATOM 135 CA THR A 16 14.784 1.957 50.400 1.00 7.43 C ATOM 136 C THR A 16 14.165 3.072 51.252 1.00 7.27 C ATOM 137 O THR A 16 14.498 4.246 51.024 1.00 7.85 O ATOM 138 CB THR A 16 14.243 2.181 48.982 1.00 7.92 C ATOM 139 OG1 THR A 16 12.868 1.864 49.037 1.00 7.78 O ATOM 140 CG2 THR A 16 14.969 1.315 47.933 1.00 10.97 C ATOM 141 HG1 THR A 16 12.465 1.992 48.142 1.00 0.00 H ATOM 142 H THR A 16 13.541 0.282 50.864 1.00 0.00 H ATOM 143 N GLU A 17 13.222 2.770 52.146 1.00 7.65 N ATOM 144 CA GLU A 17 12.449 3.833 52.740 1.00 7.37 C ATOM 145 C GLU A 17 13.206 4.754 53.647 1.00 8.48 C ATOM 146 O GLU A 17 12.891 5.929 53.687 1.00 8.39 O ATOM 147 CB GLU A 17 11.162 3.348 53.366 1.00 8.07 C ATOM 148 CG GLU A 17 10.050 3.029 52.361 1.00 8.24 C ATOM 149 CD GLU A 17 9.546 4.242 51.557 1.00 8.88 C ATOM 150 OE1 GLU A 17 9.922 5.389 51.887 1.00 8.34 O ATOM 151 OE2 GLU A 17 8.696 3.988 50.652 1.00 8.78 O ATOM 152 H GLU A 17 13.046 1.780 52.411 1.00 0.00 H ATOM 153 N GLU A 18 14.210 4.249 54.366 1.00 9.00 N ATOM 154 CA GLU A 18 15.042 5.210 55.096 1.00 9.34 C ATOM 155 C GLU A 18 15.836 6.144 54.207 1.00 8.49 C ATOM 156 O GLU A 18 16.063 7.308 54.564 1.00 9.77 O ATOM 157 CB GLU A 18 15.973 4.441 56.020 1.00 9.90 C ATOM 158 CG GLU A 18 15.335 3.955 57.327 1.00 11.67 C ATOM 159 CD GLU A 18 14.890 5.129 58.180 1.00 11.52 C ATOM 160 OE1 GLU A 18 13.842 5.695 57.899 1.00 12.14 O ATOM 161 OE2 GLU A 18 15.573 5.455 59.183 1.00 14.48 O ATOM 162 H GLU A 18 14.393 3.226 54.406 1.00 0.00 H ATOM 163 N LEU A 19 16.147 5.693 53.000 1.00 8.46 N ATOM 164 CA LEU A 19 16.773 6.563 52.035 1.00 8.28 C ATOM 165 C LEU A 19 15.783 7.591 51.487 1.00 7.98 C ATOM 166 O LEU A 19 16.125 8.802 51.337 1.00 7.94 O ATOM 167 CB LEU A 19 17.423 5.802 50.886 1.00 9.13 C ATOM 168 CG LEU A 19 18.487 6.553 50.135 1.00 12.21 C ATOM 169 CD1 LEU A 19 19.733 6.754 51.043 1.00 17.22 C ATOM 170 CD2 LEU A 19 18.867 5.845 48.885 1.00 12.13 C ATOM 171 H LEU A 19 15.938 4.706 52.747 1.00 0.00 H ATOM 172 N HIS A 20 14.548 7.193 51.231 1.00 7.37 N ATOM 173 CA HIS A 20 13.477 8.165 50.911 1.00 6.69 C ATOM 174 C HIS A 20 13.345 9.175 52.026 1.00 6.68 C ATOM 175 O HIS A 20 13.235 10.377 51.744 1.00 7.23 O ATOM 176 CB HIS A 20 12.156 7.499 50.621 1.00 5.77 C ATOM 177 CG HIS A 20 12.123 6.786 49.300 1.00 5.89 C ATOM 178 ND1 HIS A 20 12.054 7.466 48.100 1.00 6.68 N ATOM 179 CD2 HIS A 20 12.090 5.462 48.996 1.00 7.28 C ATOM 180 CE1 HIS A 20 11.970 6.581 47.117 1.00 6.79 C ATOM 181 NE2 HIS A 20 12.019 5.357 47.626 1.00 6.97 N ATOM 182 H HIS A 20 14.324 6.178 51.255 1.00 0.00 H ATOM 183 N ARG A 21 13.295 8.706 53.257 1.00 7.00 N ATOM 184 CA ARG A 21 13.099 9.661 54.387 1.00 7.21 C ATOM 185 C ARG A 21 14.200 10.692 54.414 1.00 8.29 C ATOM 186 O ARG A 21 13.986 11.875 54.636 1.00 7.87 O ATOM 187 CB ARG A 21 12.970 8.904 55.696 1.00 7.00 C ATOM 188 CG ARG A 21 12.559 9.769 56.873 1.00 7.96 C ATOM 189 CD ARG A 21 12.307 8.928 58.169 1.00 7.62 C ATOM 190 NE ARG A 21 13.492 8.339 58.721 1.00 8.34 N ATOM 191 CZ ARG A 21 14.223 8.936 59.650 1.00 8.57 C ATOM 192 NH1 ARG A 21 13.978 10.142 60.121 1.00 10.27 N ATOM 193 NH2 ARG A 21 15.251 8.260 60.132 1.00 10.37 N ATOM 194 HE ARG A 21 13.790 7.404 58.377 1.00 0.00 H ATOM 195 HH12 ARG A 21 14.595 10.550 60.852 1.00 0.00 H ATOM 196 HH11 ARG A 21 13.168 10.686 59.762 1.00 0.00 H ATOM 197 HH22 ARG A 21 15.856 8.685 60.863 1.00 0.00 H ATOM 198 HH21 ARG A 21 15.455 7.303 59.780 1.00 0.00 H ATOM 199 H ARG A 21 13.391 7.686 53.438 1.00 0.00 H ATOM 200 N ARG A 22 15.434 10.214 54.261 1.00 8.56 N ATOM 201 CA ARG A 22 16.612 11.109 54.196 1.00 8.00 C ATOM 202 C ARG A 22 16.431 12.115 53.095 1.00 7.19 C ATOM 203 O ARG A 22 16.679 13.320 53.266 1.00 8.30 O ATOM 204 CB ARG A 22 17.897 10.270 54.015 1.00 8.87 C ATOM 205 CG ARG A 22 19.116 11.128 53.851 1.00 9.97 C ATOM 206 CD ARG A 22 20.325 10.287 53.821 1.00 11.39 C ATOM 207 NE ARG A 22 21.497 11.095 53.469 1.00 13.37 N ATOM 208 CZ ARG A 22 22.704 10.616 53.105 1.00 15.22 C ATOM 209 NH1 ARG A 22 22.917 9.311 53.080 1.00 19.21 N ATOM 210 NH2 ARG A 22 23.685 11.458 52.738 1.00 18.66 N ATOM 211 HE ARG A 22 21.388 12.129 53.503 1.00 0.00 H ATOM 212 HH12 ARG A 22 23.848 8.941 52.799 1.00 0.00 H ATOM 213 HH11 ARG A 22 22.154 8.654 53.341 1.00 0.00 H ATOM 214 HH22 ARG A 22 24.614 11.084 52.458 1.00 0.00 H ATOM 215 HH21 ARG A 22 23.515 12.484 52.734 1.00 0.00 H ATOM 216 H ARG A 22 15.574 9.186 54.185 1.00 0.00 H ATOM 217 N ALA A 23 16.080 11.653 51.903 1.00 7.12 N ATOM 218 CA ALA A 23 15.889 12.561 50.777 1.00 6.94 C ATOM 219 C ALA A 23 14.828 13.612 51.065 1.00 7.80 C ATOM 220 O ALA A 23 14.979 14.787 50.737 1.00 8.37 O ATOM 221 CB ALA A 23 15.606 11.789 49.507 1.00 8.56 C ATOM 222 H ALA A 23 15.939 10.631 51.769 1.00 0.00 H ATOM 223 N PHE A 24 13.703 13.209 51.684 1.00 7.53 N ATOM 224 CA PHE A 24 12.684 14.184 52.095 1.00 7.08 C ATOM 225 C PHE A 24 13.282 15.218 53.038 1.00 7.38 C ATOM 226 O PHE A 24 13.183 16.401 52.839 1.00 7.85 O ATOM 227 CB PHE A 24 11.433 13.529 52.689 1.00 7.29 C ATOM 228 CG PHE A 24 10.498 12.875 51.725 1.00 6.18 C ATOM 229 CD1 PHE A 24 9.657 13.612 50.886 1.00 7.64 C ATOM 230 CD2 PHE A 24 10.334 11.515 51.698 1.00 6.60 C ATOM 231 CE1 PHE A 24 8.739 13.011 50.064 1.00 7.60 C ATOM 232 CE2 PHE A 24 9.418 10.924 50.858 1.00 6.50 C ATOM 233 CZ PHE A 24 8.619 11.655 50.042 1.00 6.70 C ATOM 234 H PHE A 24 13.554 12.197 51.873 1.00 0.00 H ATOM 235 N ASN A 25 13.834 14.689 54.135 1.00 8.14 N ATOM 236 CA ASN A 25 14.332 15.610 55.159 1.00 8.89 C ATOM 237 C ASN A 25 15.402 16.581 54.658 1.00 8.89 C ATOM 238 O ASN A 25 15.437 17.748 55.035 1.00 10.10 O ATOM 239 CB ASN A 25 14.782 14.846 56.388 1.00 8.38 C ATOM 240 CG ASN A 25 13.632 14.257 57.143 1.00 8.25 C ATOM 241 OD1 ASN A 25 12.551 14.897 57.197 1.00 9.37 O ATOM 242 ND2 ASN A 25 13.838 13.137 57.823 1.00 9.68 N ATOM 243 HD22 ASN A 25 14.750 12.642 57.746 1.00 0.00 H ATOM 244 HD21 ASN A 25 13.088 12.753 58.433 1.00 0.00 H ATOM 245 H ASN A 25 13.907 13.659 54.257 1.00 0.00 H ATOM 246 N GLU A 26 16.343 16.056 53.883 1.00 8.72 N ATOM 247 CA GLU A 26 17.419 16.905 53.357 1.00 11.22 C ATOM 248 C GLU A 26 16.838 17.964 52.401 1.00 9.98 C ATOM 249 O GLU A 26 17.339 19.094 52.352 1.00 10.81 O ATOM 250 CB GLU A 26 18.487 16.075 52.664 1.00 11.37 C ATOM 251 CG GLU A 26 19.307 15.241 53.664 1.00 13.37 C ATOM 252 CD GLU A 26 20.431 14.441 53.041 1.00 16.73 C ATOM 253 OE1 GLU A 26 20.501 14.410 51.809 1.00 20.29 O ATOM 254 OE2 GLU A 26 21.208 13.842 53.820 1.00 18.63 O ATOM 255 H GLU A 26 16.318 15.043 53.648 1.00 0.00 H ATOM 256 N THR A 27 15.784 17.601 51.635 1.00 8.94 N ATOM 257 CA THR A 27 15.111 18.553 50.745 1.00 9.68 C ATOM 258 C THR A 27 14.455 19.646 51.590 1.00 9.75 C ATOM 259 O THR A 27 14.565 20.835 51.270 1.00 10.87 O ATOM 260 CB THR A 27 14.080 17.855 49.846 1.00 10.61 C ATOM 261 OG1 THR A 27 14.773 16.906 49.052 1.00 12.40 O ATOM 262 CG2 THR A 27 13.327 18.831 48.993 1.00 12.91 C ATOM 263 HG1 THR A 27 15.219 16.247 49.641 1.00 0.00 H ATOM 264 H THR A 27 15.441 16.620 51.678 1.00 0.00 H ATOM 265 N PHE A 28 13.764 19.239 52.647 1.00 9.80 N ATOM 266 CA PHE A 28 13.103 20.228 53.541 1.00 10.33 C ATOM 267 C PHE A 28 14.161 21.219 54.074 1.00 10.78 C ATOM 268 O PHE A 28 13.950 22.433 54.113 1.00 12.52 O ATOM 269 CB PHE A 28 12.405 19.515 54.656 1.00 11.10 C ATOM 270 CG PHE A 28 11.294 18.523 54.210 1.00 9.80 C ATOM 271 CD1 PHE A 28 10.722 18.576 52.967 1.00 10.20 C ATOM 272 CD2 PHE A 28 10.881 17.560 55.088 1.00 10.39 C ATOM 273 CE1 PHE A 28 9.700 17.691 52.581 1.00 10.28 C ATOM 274 CE2 PHE A 28 9.864 16.662 54.734 1.00 11.49 C ATOM 275 CZ PHE A 28 9.314 16.737 53.506 1.00 11.66 C ATOM 276 H PHE A 28 13.684 18.223 52.852 1.00 0.00 H ATOM 277 N ALA A 29 15.301 20.679 54.540 1.00 11.02 N ATOM 278 CA ALA A 29 16.341 21.535 55.087 1.00 11.96 C ATOM 279 C ALA A 29 16.842 22.485 54.031 1.00 12.10 C ATOM 280 O ALA A 29 16.996 23.697 54.307 1.00 14.38 O ATOM 281 CB ALA A 29 17.465 20.699 55.644 1.00 12.15 C ATOM 282 H ALA A 29 15.439 19.649 54.509 1.00 0.00 H ATOM 283 N ALA A 30 17.060 22.013 52.822 1.00 11.52 N ATOM 284 CA ALA A 30 17.543 22.878 51.717 1.00 12.60 C ATOM 285 C ALA A 30 16.591 23.968 51.333 1.00 13.77 C ATOM 286 O ALA A 30 16.979 25.045 50.870 1.00 16.86 O ATOM 287 CB ALA A 30 17.910 22.057 50.532 1.00 13.38 C ATOM 288 H ALA A 30 16.889 21.004 52.635 1.00 0.00 H ATOM 289 N LEU A 31 15.299 23.682 51.531 1.00 13.62 N ATOM 290 CA LEU A 31 14.289 24.669 51.217 1.00 14.99 C ATOM 291 C LEU A 31 14.107 25.644 52.363 1.00 16.51 C ATOM 292 O LEU A 31 13.304 26.601 52.211 1.00 21.75 O ATOM 293 CB LEU A 31 12.951 23.972 50.953 1.00 19.11 C ATOM 294 CG LEU A 31 12.974 23.236 49.640 1.00 20.79 C ATOM 295 CD1 LEU A 31 11.713 22.365 49.530 1.00 26.55 C ATOM 296 CD2 LEU A 31 13.033 24.120 48.389 1.00 25.64 C ATOM 297 H LEU A 31 15.022 22.754 51.909 1.00 0.00 H ATOM 298 N GLY A 32 14.758 25.458 53.493 1.00 16.31 N ATOM 299 CA GLY A 32 14.692 26.393 54.604 1.00 17.58 C ATOM 300 C GLY A 32 13.410 26.308 55.438 1.00 15.97 C ATOM 301 O GLY A 32 13.097 27.231 56.208 1.00 19.54 O ATOM 302 H GLY A 32 15.345 24.605 53.595 1.00 0.00 H ATOM 303 N VAL A 33 12.678 25.194 55.338 1.00 13.70 N ATOM 304 CA VAL A 33 11.502 24.981 56.152 1.00 14.14 C ATOM 305 C VAL A 33 11.820 24.146 57.354 1.00 14.02 C ATOM 306 O VAL A 33 12.859 23.458 57.375 1.00 17.10 O ATOM 307 CB VAL A 33 10.341 24.308 55.416 1.00 15.92 C ATOM 308 CG1 VAL A 33 9.774 25.194 54.336 1.00 19.71 C ATOM 309 CG2 VAL A 33 10.758 22.930 54.888 1.00 15.98 C ATOM 310 H VAL A 33 12.962 24.461 54.657 1.00 0.00 H ATOM 311 N ASP A 34 10.956 24.227 58.398 1.00 12.24 N ATOM 312 CA ASP A 34 11.165 23.520 59.689 1.00 13.08 C ATOM 313 C ASP A 34 10.714 22.074 59.679 1.00 12.03 C ATOM 314 O ASP A 34 10.847 21.414 60.708 1.00 14.11 O ATOM 315 CB ASP A 34 10.531 24.345 60.866 1.00 12.15 C ATOM 316 CG ASP A 34 9.034 24.401 60.838 1.00 13.52 C ATOM 317 OD1 ASP A 34 8.405 24.204 59.800 1.00 13.46 O ATOM 318 OD2 ASP A 34 8.495 24.688 61.939 1.00 22.63 O ATOM 319 H ASP A 34 10.104 24.814 58.289 1.00 0.00 H ATOM 320 N TRP A 35 10.182 21.593 58.582 1.00 10.78 N ATOM 321 CA TRP A 35 9.610 20.231 58.513 1.00 10.77 C ATOM 322 C TRP A 35 10.665 19.215 58.747 1.00 10.17 C ATOM 323 O TRP A 35 11.772 19.288 58.154 1.00 12.89 O ATOM 324 CB TRP A 35 8.965 19.986 57.172 1.00 10.08 C ATOM 325 CG TRP A 35 7.995 20.999 56.706 1.00 9.93 C ATOM 326 CD1 TRP A 35 7.362 22.031 57.433 1.00 10.12 C ATOM 327 CD2 TRP A 35 7.642 21.218 55.369 1.00 10.19 C ATOM 328 NE1 TRP A 35 6.651 22.819 56.601 1.00 11.06 N ATOM 329 CE2 TRP A 35 6.758 22.320 55.324 1.00 10.23 C ATOM 330 CE3 TRP A 35 7.919 20.552 54.189 1.00 12.53 C ATOM 331 CZ2 TRP A 35 6.256 22.813 54.129 1.00 11.49 C ATOM 332 CZ3 TRP A 35 7.379 21.004 52.997 1.00 11.74 C ATOM 333 CH2 TRP A 35 6.564 22.134 52.970 1.00 12.37 C ATOM 334 HE1 TRP A 35 6.112 23.664 56.879 1.00 0.00 H ATOM 335 H TRP A 35 10.161 22.190 57.731 1.00 0.00 H ATOM 336 N PHE A 36 10.386 18.157 59.491 1.00 9.74 N ATOM 337 CA PHE A 36 11.339 17.067 59.666 1.00 9.70 C ATOM 338 C PHE A 36 10.501 15.852 60.023 1.00 8.99 C ATOM 339 O PHE A 36 9.658 15.925 60.940 1.00 11.27 O ATOM 340 CB PHE A 36 12.375 17.334 60.754 1.00 10.20 C ATOM 341 CG PHE A 36 13.341 16.250 60.901 1.00 11.66 C ATOM 342 CD1 PHE A 36 14.415 16.183 60.073 1.00 12.05 C ATOM 343 CD2 PHE A 36 13.173 15.274 61.837 1.00 14.25 C ATOM 344 CE1 PHE A 36 15.343 15.137 60.195 1.00 13.31 C ATOM 345 CE2 PHE A 36 13.999 14.232 61.941 1.00 18.95 C ATOM 346 CZ PHE A 36 15.101 14.148 61.125 1.00 16.23 C ATOM 347 H PHE A 36 9.462 18.101 59.964 1.00 0.00 H ATOM 348 N TRP A 37 10.691 14.751 59.288 1.00 9.49 N ATOM 349 CA TRP A 37 9.940 13.535 59.495 1.00 9.16 C ATOM 350 C TRP A 37 10.803 12.493 60.211 1.00 9.34 C ATOM 351 O TRP A 37 11.760 11.953 59.596 1.00 8.42 O ATOM 352 CB TRP A 37 9.470 12.978 58.130 1.00 10.33 C ATOM 353 CG TRP A 37 8.462 13.853 57.473 1.00 8.45 C ATOM 354 CD1 TRP A 37 7.747 14.866 58.000 1.00 9.16 C ATOM 355 CD2 TRP A 37 8.003 13.700 56.105 1.00 8.09 C ATOM 356 NE1 TRP A 37 6.899 15.408 57.033 1.00 9.35 N ATOM 357 CE2 TRP A 37 7.003 14.694 55.889 1.00 8.78 C ATOM 358 CE3 TRP A 37 8.331 12.817 55.068 1.00 7.39 C ATOM 359 CZ2 TRP A 37 6.369 14.833 54.703 1.00 8.38 C ATOM 360 CZ3 TRP A 37 7.655 12.973 53.844 1.00 7.91 C ATOM 361 CH2 TRP A 37 6.694 13.947 53.681 1.00 7.83 C ATOM 362 HE1 TRP A 37 6.282 16.234 57.171 1.00 0.00 H ATOM 363 H TRP A 37 11.409 14.771 58.536 1.00 0.00 H ATOM 364 N ASP A 38 10.567 12.285 61.488 1.00 8.88 N ATOM 365 CA ASP A 38 11.245 11.211 62.180 1.00 8.10 C ATOM 366 C ASP A 38 10.630 9.852 61.798 1.00 9.10 C ATOM 367 O ASP A 38 9.623 9.810 61.065 1.00 9.65 O ATOM 368 CB ASP A 38 11.358 11.428 63.707 1.00 10.41 C ATOM 369 CG ASP A 38 10.009 11.599 64.441 1.00 11.73 C ATOM 370 OD1 ASP A 38 9.026 10.940 64.031 1.00 12.49 O ATOM 371 OD2 ASP A 38 10.052 12.252 65.518 1.00 13.82 O ATOM 372 H ASP A 38 9.894 12.891 61.999 1.00 0.00 H ATOM 373 N ARG A 39 11.205 8.736 62.269 1.00 9.19 N ATOM 374 CA ARG A 39 10.687 7.432 61.869 1.00 10.88 C ATOM 375 C ARG A 39 9.258 7.242 62.302 1.00 11.45 C ATOM 376 O ARG A 39 8.477 6.599 61.592 1.00 12.70 O ATOM 377 CB ARG A 39 11.489 6.384 62.504 1.00 14.08 C ATOM 378 CG ARG A 39 12.781 6.219 61.841 1.00 13.49 C ATOM 379 CD ARG A 39 13.486 5.010 62.498 1.00 16.52 C ATOM 380 NE ARG A 39 14.595 4.582 61.691 1.00 16.61 N ATOM 381 CZ ARG A 39 15.410 3.591 62.003 1.00 14.64 C ATOM 382 NH1 ARG A 39 15.304 2.895 63.126 1.00 18.84 N ATOM 383 NH2 ARG A 39 16.404 3.310 61.202 1.00 15.43 N ATOM 384 HE ARG A 39 14.768 5.088 60.799 1.00 0.00 H ATOM 385 HH12 ARG A 39 15.972 2.123 63.324 1.00 0.00 H ATOM 386 HH11 ARG A 39 14.553 3.121 63.809 1.00 0.00 H ATOM 387 HH22 ARG A 39 17.055 2.532 61.434 1.00 0.00 H ATOM 388 HH21 ARG A 39 16.544 3.864 60.333 1.00 0.00 H ATOM 389 H ARG A 39 12.016 8.800 62.916 1.00 0.00 H ATOM 390 N GLU A 40 8.941 7.682 63.499 1.00 12.63 N ATOM 391 CA GLU A 40 7.557 7.513 63.998 1.00 14.52 C ATOM 392 C GLU A 40 6.574 8.194 63.060 1.00 14.32 C ATOM 393 O GLU A 40 5.513 7.630 62.701 1.00 15.52 O ATOM 394 CB GLU A 40 7.372 8.055 65.461 1.00 17.04 C ATOM 395 CG GLU A 40 5.952 7.921 66.013 1.00 21.72 C ATOM 396 CD GLU A 40 5.820 8.405 67.487 1.00 31.22 C ATOM 397 OE1 GLU A 40 4.669 8.624 67.935 1.00 45.30 O ATOM 398 OE2 GLU A 40 6.822 8.475 68.219 1.00 37.43 O ATOM 399 H GLU A 40 9.658 8.146 64.092 1.00 0.00 H ATOM 400 N GLU A 41 6.842 9.450 62.685 1.00 12.17 N ATOM 401 CA GLU A 41 5.978 10.215 61.771 1.00 11.33 C ATOM 402 C GLU A 41 5.954 9.549 60.416 1.00 10.07 C ATOM 403 O GLU A 41 4.927 9.374 59.802 1.00 10.63 O ATOM 404 CB GLU A 41 6.395 11.697 61.661 1.00 12.23 C ATOM 405 CG GLU A 41 5.711 12.483 60.643 1.00 15.38 C ATOM 406 CD GLU A 41 4.305 12.827 60.859 1.00 19.22 C ATOM 407 OE1 GLU A 41 3.717 13.516 59.903 1.00 25.13 O ATOM 408 OE2 GLU A 41 3.766 12.495 61.923 1.00 25.47 O ATOM 409 H GLU A 41 7.700 9.907 63.056 1.00 0.00 H ATOM 410 N TYR A 42 7.105 9.178 59.932 1.00 9.23 N ATOM 411 CA TYR A 42 7.197 8.589 58.579 1.00 8.50 C ATOM 412 C TYR A 42 6.453 7.257 58.476 1.00 8.76 C ATOM 413 O TYR A 42 5.829 6.989 57.457 1.00 9.70 O ATOM 414 CB TYR A 42 8.671 8.449 58.169 1.00 7.88 C ATOM 415 CG TYR A 42 8.870 8.272 56.676 1.00 7.59 C ATOM 416 CD1 TYR A 42 8.459 9.276 55.797 1.00 7.66 C ATOM 417 CD2 TYR A 42 9.513 7.160 56.112 1.00 8.63 C ATOM 418 CE1 TYR A 42 8.659 9.183 54.444 1.00 7.54 C ATOM 419 CE2 TYR A 42 9.663 7.050 54.733 1.00 7.61 C ATOM 420 CZ TYR A 42 9.219 8.023 53.896 1.00 5.98 C ATOM 421 OH TYR A 42 9.315 7.908 52.538 1.00 7.82 O ATOM 422 HH TYR A 42 8.810 7.111 52.239 1.00 0.00 H ATOM 423 H TYR A 42 7.967 9.297 60.502 1.00 0.00 H ATOM 424 N ARG A 43 6.497 6.452 59.542 1.00 9.79 N ATOM 425 CA ARG A 43 5.776 5.188 59.533 1.00 10.46 C ATOM 426 C ARG A 43 4.279 5.419 59.275 1.00 11.05 C ATOM 427 O ARG A 43 3.642 4.644 58.588 1.00 12.15 O ATOM 428 CB ARG A 43 5.985 4.458 60.837 1.00 14.52 C ATOM 429 CG ARG A 43 5.308 3.111 61.056 1.00 17.77 C ATOM 430 CD ARG A 43 5.777 2.473 62.395 1.00 23.66 C ATOM 431 NE ARG A 43 6.751 1.389 62.171 1.00 38.74 N ATOM 432 CZ ARG A 43 8.043 1.412 62.456 1.00 39.77 C ATOM 433 NH1 ARG A 43 8.670 2.443 63.048 1.00 53.79 N ATOM 434 NH2 ARG A 43 8.721 0.379 62.106 1.00 37.73 N ATOM 435 HE ARG A 43 6.384 0.514 61.744 1.00 0.00 H ATOM 436 HH12 ARG A 43 9.690 2.389 63.241 1.00 0.00 H ATOM 437 HH11 ARG A 43 8.135 3.294 63.313 1.00 0.00 H ATOM 438 HH22 ARG A 43 9.741 0.336 62.302 1.00 0.00 H ATOM 439 HH21 ARG A 43 8.250 -0.415 61.627 1.00 0.00 H ATOM 440 H ARG A 43 7.048 6.729 60.380 1.00 0.00 H ATOM 441 N GLU A 44 3.760 6.455 59.884 1.00 10.72 N ATOM 442 CA GLU A 44 2.357 6.802 59.670 1.00 11.16 C ATOM 443 C GLU A 44 2.133 7.365 58.234 1.00 10.86 C ATOM 444 O GLU A 44 1.211 6.931 57.526 1.00 10.67 O ATOM 445 CB GLU A 44 1.945 7.845 60.684 1.00 14.98 C ATOM 446 CG GLU A 44 1.984 7.385 62.138 1.00 18.66 C ATOM 447 CD GLU A 44 1.758 8.517 63.150 1.00 33.69 C ATOM 448 OE1 GLU A 44 1.271 9.629 62.766 1.00 39.72 O ATOM 449 OE2 GLU A 44 2.016 8.284 64.378 1.00 44.20 O ATOM 450 H GLU A 44 4.347 7.031 60.521 1.00 0.00 H ATOM 451 N LEU A 45 2.993 8.281 57.810 1.00 9.83 N ATOM 452 CA LEU A 45 2.853 8.887 56.466 1.00 8.48 C ATOM 453 C LEU A 45 2.975 7.886 55.335 1.00 7.94 C ATOM 454 O LEU A 45 2.453 8.095 54.254 1.00 8.30 O ATOM 455 CB LEU A 45 3.867 10.013 56.297 1.00 8.64 C ATOM 456 CG LEU A 45 3.668 11.316 57.123 1.00 8.36 C ATOM 457 CD1 LEU A 45 4.825 12.233 56.953 1.00 12.23 C ATOM 458 CD2 LEU A 45 2.311 11.930 56.672 1.00 11.48 C ATOM 459 H LEU A 45 3.775 8.577 58.428 1.00 0.00 H ATOM 460 N LEU A 46 3.697 6.798 55.582 1.00 7.94 N ATOM 461 CA LEU A 46 3.884 5.762 54.580 1.00 7.98 C ATOM 462 C LEU A 46 2.605 5.048 54.208 1.00 8.17 C ATOM 463 O LEU A 46 2.579 4.343 53.180 1.00 9.20 O ATOM 464 CB LEU A 46 4.929 4.733 55.017 1.00 7.96 C ATOM 465 CG LEU A 46 6.379 5.139 54.830 1.00 9.04 C ATOM 466 CD1 LEU A 46 7.343 4.245 55.570 1.00 9.78 C ATOM 467 CD2 LEU A 46 6.760 5.190 53.338 1.00 9.06 C ATOM 468 H LEU A 46 4.140 6.685 56.516 1.00 0.00 H ATOM 469 N THR A 47 1.535 5.135 54.992 1.00 8.13 N ATOM 470 CA THR A 47 0.304 4.543 54.617 1.00 8.13 C ATOM 471 C THR A 47 -0.387 5.282 53.462 1.00 8.20 C ATOM 472 O THR A 47 -1.356 4.757 52.875 1.00 10.96 O ATOM 473 CB THR A 47 -0.681 4.363 55.783 1.00 9.68 C ATOM 474 OG1 THR A 47 -1.163 5.631 56.183 1.00 11.29 O ATOM 475 CG2 THR A 47 -0.066 3.594 56.909 1.00 11.33 C ATOM 476 HG1 THR A 47 -0.403 6.195 56.473 1.00 0.00 H ATOM 477 H THR A 47 1.603 5.646 55.895 1.00 0.00 H ATOM 478 N THR A 48 0.056 6.495 53.122 1.00 8.12 N ATOM 479 CA THR A 48 -0.324 7.196 51.889 1.00 9.08 C ATOM 480 C THR A 48 0.814 7.026 50.871 1.00 7.16 C ATOM 481 O THR A 48 1.923 7.485 51.134 1.00 8.23 O ATOM 482 CB THR A 48 -0.502 8.685 52.176 1.00 9.01 C ATOM 483 OG1 THR A 48 -1.553 8.841 53.142 1.00 10.55 O ATOM 484 CG2 THR A 48 -0.785 9.455 50.966 1.00 9.97 C ATOM 485 HG1 THR A 48 -2.393 8.464 52.778 1.00 0.00 H ATOM 486 H THR A 48 0.712 6.974 53.772 1.00 0.00 H ATOM 487 N THR A 49 0.530 6.344 49.757 1.00 6.65 N ATOM 488 CA THR A 49 1.517 6.133 48.774 1.00 7.18 C ATOM 489 C THR A 49 1.639 7.298 47.797 1.00 7.59 C ATOM 490 O THR A 49 0.718 8.065 47.565 1.00 8.60 O ATOM 491 CB THR A 49 1.304 4.854 47.993 1.00 7.28 C ATOM 492 OG1 THR A 49 0.161 5.021 47.134 1.00 7.74 O ATOM 493 CG2 THR A 49 1.154 3.645 48.922 1.00 8.54 C ATOM 494 HG1 THR A 49 -0.638 5.216 47.685 1.00 0.00 H ATOM 495 H THR A 49 -0.428 5.966 49.615 1.00 0.00 H ATOM 496 N GLY A 50 2.877 7.471 47.300 1.00 7.61 N ATOM 497 CA GLY A 50 3.250 8.573 46.433 1.00 6.87 C ATOM 498 C GLY A 50 3.752 9.724 47.247 1.00 7.00 C ATOM 499 O GLY A 50 3.114 10.183 48.196 1.00 7.91 O ATOM 500 H GLY A 50 3.608 6.775 47.551 1.00 0.00 H ATOM 501 N GLY A 51 4.940 10.218 46.865 1.00 7.14 N ATOM 502 CA GLY A 51 5.565 11.273 47.699 1.00 6.85 C ATOM 503 C GLY A 51 4.812 12.594 47.641 1.00 6.86 C ATOM 504 O GLY A 51 4.793 13.350 48.602 1.00 7.83 O ATOM 505 H GLY A 51 5.411 9.870 46.005 1.00 0.00 H ATOM 506 N LYS A 52 4.253 12.944 46.457 1.00 7.66 N ATOM 507 CA LYS A 52 3.453 14.156 46.382 1.00 7.58 C ATOM 508 C LYS A 52 2.241 14.066 47.287 1.00 7.81 C ATOM 509 O LYS A 52 1.888 15.032 48.028 1.00 9.13 O ATOM 510 CB LYS A 52 3.034 14.460 44.938 1.00 8.50 C ATOM 511 CG LYS A 52 4.209 14.786 44.058 1.00 10.17 C ATOM 512 CD LYS A 52 3.789 15.283 42.640 1.00 11.73 C ATOM 513 CE LYS A 52 3.088 14.231 41.827 1.00 12.27 C ATOM 514 NZ LYS A 52 3.852 13.020 41.581 1.00 11.99 N ATOM 515 HZ1 LYS A 52 4.722 13.260 41.065 1.00 0.00 H ATOM 516 HZ2 LYS A 52 4.097 12.576 42.489 1.00 0.00 H ATOM 517 HZ3 LYS A 52 3.281 12.361 41.014 1.00 0.00 H ATOM 518 H LYS A 52 4.394 12.353 45.613 1.00 0.00 H ATOM 519 N GLU A 53 1.585 12.914 47.238 1.00 7.76 N ATOM 520 CA GLU A 53 0.350 12.678 48.042 1.00 8.23 C ATOM 521 C GLU A 53 0.734 12.672 49.524 1.00 8.49 C ATOM 522 O GLU A 53 -0.019 13.155 50.362 1.00 8.00 O ATOM 523 CB GLU A 53 -0.226 11.320 47.644 1.00 8.71 C ATOM 524 CG GLU A 53 -0.797 11.293 46.209 1.00 8.40 C ATOM 525 CD GLU A 53 0.211 11.063 45.084 1.00 8.18 C ATOM 526 OE1 GLU A 53 1.457 10.976 45.285 1.00 7.60 O ATOM 527 OE2 GLU A 53 -0.278 10.954 43.908 1.00 10.57 O ATOM 528 H GLU A 53 1.941 12.155 46.623 1.00 0.00 H ATOM 529 N ARG A 54 1.922 12.146 49.855 1.00 7.49 N ATOM 530 CA ARG A 54 2.355 12.111 51.231 1.00 7.63 C ATOM 531 C ARG A 54 2.610 13.541 51.739 1.00 8.50 C ATOM 532 O ARG A 54 2.224 13.888 52.837 1.00 9.08 O ATOM 533 CB ARG A 54 3.628 11.232 51.365 1.00 7.57 C ATOM 534 CG ARG A 54 4.086 10.997 52.775 1.00 7.54 C ATOM 535 CD ARG A 54 5.238 9.981 52.853 1.00 7.41 C ATOM 536 NE ARG A 54 4.785 8.749 52.334 1.00 8.22 N ATOM 537 CZ ARG A 54 5.364 8.063 51.379 1.00 7.26 C ATOM 538 NH1 ARG A 54 6.664 8.213 51.112 1.00 7.46 N ATOM 539 NH2 ARG A 54 4.680 7.150 50.728 1.00 7.76 N ATOM 540 HE ARG A 54 3.916 8.351 52.745 1.00 0.00 H ATOM 541 HH12 ARG A 54 7.106 7.660 50.350 1.00 0.00 H ATOM 542 HH11 ARG A 54 7.235 8.883 51.666 1.00 0.00 H ATOM 543 HH22 ARG A 54 5.134 6.603 49.969 1.00 0.00 H ATOM 544 HH21 ARG A 54 3.684 6.974 50.971 1.00 0.00 H ATOM 545 H ARG A 54 2.538 11.759 49.112 1.00 0.00 H ATOM 546 N ILE A 55 3.332 14.342 50.943 1.00 7.43 N ATOM 547 CA ILE A 55 3.570 15.751 51.298 1.00 8.51 C ATOM 548 C ILE A 55 2.205 16.439 51.501 1.00 8.86 C ATOM 549 O ILE A 55 2.018 17.176 52.479 1.00 9.87 O ATOM 550 CB ILE A 55 4.430 16.478 50.270 1.00 8.13 C ATOM 551 CG1 ILE A 55 5.892 15.918 50.314 1.00 8.31 C ATOM 552 CG2 ILE A 55 4.424 17.962 50.558 1.00 9.92 C ATOM 553 CD1 ILE A 55 6.667 16.263 49.037 1.00 11.70 C ATOM 554 H ILE A 55 3.730 13.962 50.061 1.00 0.00 H ATOM 555 N ALA A 56 1.242 16.218 50.575 1.00 9.43 N ATOM 556 CA ALA A 56 -0.059 16.867 50.694 1.00 10.41 C ATOM 557 C ALA A 56 -0.758 16.505 52.003 1.00 9.91 C ATOM 558 O ALA A 56 -1.329 17.391 52.685 1.00 11.22 O ATOM 559 CB ALA A 56 -0.909 16.554 49.502 1.00 11.22 C ATOM 560 H ALA A 56 1.431 15.582 49.774 1.00 0.00 H ATOM 561 N ARG A 57 -0.702 15.220 52.348 1.00 9.46 N ATOM 562 CA ARG A 57 -1.292 14.753 53.604 1.00 9.85 C ATOM 563 C ARG A 57 -0.677 15.490 54.753 1.00 10.53 C ATOM 564 O ARG A 57 -1.359 15.980 55.672 1.00 12.62 O ATOM 565 CB ARG A 57 -1.134 13.257 53.727 1.00 10.86 C ATOM 566 CG ARG A 57 -1.447 12.708 55.096 1.00 10.19 C ATOM 567 CD ARG A 57 -1.337 11.245 55.162 1.00 10.53 C ATOM 568 NE ARG A 57 -1.346 10.744 56.552 1.00 12.06 N ATOM 569 CZ ARG A 57 -1.156 9.486 56.867 1.00 11.07 C ATOM 570 NH1 ARG A 57 -0.979 8.589 55.926 1.00 10.58 N ATOM 571 NH2 ARG A 57 -1.107 9.145 58.130 1.00 15.94 N ATOM 572 HE ARG A 57 -1.512 11.425 57.320 1.00 0.00 H ATOM 573 HH12 ARG A 57 -0.829 7.592 56.180 1.00 0.00 H ATOM 574 HH11 ARG A 57 -0.989 8.875 54.926 1.00 0.00 H ATOM 575 HH22 ARG A 57 -0.957 8.151 58.395 1.00 0.00 H ATOM 576 HH21 ARG A 57 -1.218 9.869 58.869 1.00 0.00 H ATOM 577 H ARG A 57 -0.233 14.539 51.717 1.00 0.00 H ATOM 578 N PHE A 58 0.652 15.495 54.826 1.00 10.74 N ATOM 579 CA PHE A 58 1.400 16.211 55.882 1.00 10.16 C ATOM 580 C PHE A 58 0.950 17.686 55.978 1.00 10.39 C ATOM 581 O PHE A 58 0.744 18.214 57.071 1.00 11.70 O ATOM 582 CB PHE A 58 2.893 16.067 55.617 1.00 9.98 C ATOM 583 CG PHE A 58 3.772 16.945 56.441 1.00 11.36 C ATOM 584 CD1 PHE A 58 3.892 16.732 57.810 1.00 11.09 C ATOM 585 CD2 PHE A 58 4.472 17.986 55.844 1.00 10.85 C ATOM 586 CE1 PHE A 58 4.725 17.527 58.578 1.00 13.90 C ATOM 587 CE2 PHE A 58 5.267 18.804 56.616 1.00 14.20 C ATOM 588 CZ PHE A 58 5.390 18.566 57.983 1.00 12.99 C ATOM 589 H PHE A 58 1.190 14.971 54.107 1.00 0.00 H ATOM 590 N LEU A 59 0.856 18.347 54.821 1.00 10.68 N ATOM 591 CA LEU A 59 0.540 19.816 54.810 1.00 11.89 C ATOM 592 C LEU A 59 -0.868 20.106 55.201 1.00 13.31 C ATOM 593 O LEU A 59 -1.098 21.240 55.617 1.00 15.71 O ATOM 594 CB LEU A 59 0.785 20.337 53.457 1.00 12.89 C ATOM 595 CG LEU A 59 2.275 20.398 53.030 1.00 13.15 C ATOM 596 CD1 LEU A 59 2.387 20.898 51.576 1.00 14.72 C ATOM 597 CD2 LEU A 59 3.160 21.254 54.007 1.00 14.98 C ATOM 598 H LEU A 59 1.002 17.842 53.923 1.00 0.00 H ATOM 599 N ARG A 60 -1.761 19.140 55.121 1.00 13.90 N ATOM 600 CA ARG A 60 -3.148 19.409 55.418 1.00 15.35 C ATOM 601 C ARG A 60 -3.305 19.884 56.783 1.00 18.64 C ATOM 602 O ARG A 60 -4.189 20.776 57.025 1.00 21.34 O ATOM 603 CB ARG A 60 -4.016 18.184 55.186 1.00 18.39 C ATOM 604 CG ARG A 60 -4.451 18.136 53.733 1.00 24.21 C ATOM 605 CD ARG A 60 -5.614 17.256 53.443 1.00 28.10 C ATOM 606 NE ARG A 60 -5.389 15.837 53.791 1.00 36.82 N ATOM 607 CZ ARG A 60 -4.880 14.871 53.022 1.00 38.74 C ATOM 608 NH1 ARG A 60 -4.373 15.104 51.754 1.00 29.20 N ATOM 609 NH2 ARG A 60 -4.821 13.638 53.595 1.00 36.05 N ATOM 610 HE ARG A 60 -5.661 15.556 54.755 1.00 0.00 H ATOM 611 HH12 ARG A 60 -3.988 14.316 51.195 1.00 0.00 H ATOM 612 HH11 ARG A 60 -4.378 16.067 51.361 1.00 0.00 H ATOM 613 HH22 ARG A 60 -4.437 12.834 53.059 1.00 0.00 H ATOM 614 HH21 ARG A 60 -5.160 13.500 54.569 1.00 0.00 H ATOM 615 H ARG A 60 -1.466 18.182 54.843 1.00 0.00 H ATOM 616 N HIS A 61 -2.585 19.304 57.720 1.00 18.92 N ATOM 617 CA HIS A 61 -2.794 19.754 59.108 1.00 22.27 C ATOM 618 C HIS A 61 -1.516 20.083 59.917 1.00 18.39 C ATOM 619 O HIS A 61 -1.635 20.535 61.061 1.00 21.77 O ATOM 620 CB HIS A 61 -3.540 18.644 59.842 1.00 24.45 C ATOM 621 CG HIS A 61 -4.875 18.306 59.229 1.00 25.63 C ATOM 622 ND1 HIS A 61 -5.962 19.159 59.317 1.00 27.08 N ATOM 623 CD2 HIS A 61 -5.306 17.195 58.569 1.00 26.99 C ATOM 624 CE1 HIS A 61 -7.001 18.596 58.718 1.00 31.54 C ATOM 625 NE2 HIS A 61 -6.634 17.404 58.270 1.00 28.85 N ATOM 626 H HIS A 61 -1.897 18.559 57.490 1.00 0.00 H ATOM 627 N GLN A 62 -0.311 19.902 59.374 1.00 18.75 N ATOM 628 CA GLN A 62 0.927 20.263 60.120 1.00 16.17 C ATOM 629 C GLN A 62 0.856 21.724 60.461 1.00 14.13 C ATOM 630 O GLN A 62 0.371 22.544 59.717 1.00 17.08 O ATOM 631 CB GLN A 62 2.198 19.889 59.347 1.00 14.28 C ATOM 632 CG GLN A 62 2.404 20.703 58.115 1.00 12.09 C ATOM 633 CD GLN A 62 3.283 21.922 58.240 1.00 11.68 C ATOM 634 OE1 GLN A 62 4.180 21.971 59.106 1.00 12.02 O ATOM 635 NE2 GLN A 62 3.026 22.921 57.370 1.00 14.78 N ATOM 636 HE22 GLN A 62 2.263 22.818 56.671 1.00 0.00 H ATOM 637 HE21 GLN A 62 3.591 23.794 57.399 1.00 0.00 H ATOM 638 H GLN A 62 -0.235 19.503 58.416 1.00 0.00 H ATOM 639 N LYS A 63 1.491 22.084 61.547 1.00 16.15 N ATOM 640 CA LYS A 63 1.396 23.432 62.104 1.00 17.12 C ATOM 641 C LYS A 63 2.746 24.157 62.046 1.00 15.25 C ATOM 642 O LYS A 63 2.938 25.224 62.700 1.00 17.85 O ATOM 643 CB LYS A 63 0.828 23.345 63.543 1.00 18.04 C ATOM 644 CG LYS A 63 -0.607 22.806 63.604 1.00 20.67 C ATOM 645 CD LYS A 63 -1.666 23.608 62.783 1.00 26.13 C ATOM 646 CE LYS A 63 -3.155 23.302 63.088 1.00 31.31 C ATOM 647 NZ LYS A 63 -3.401 21.829 62.949 1.00 33.44 N ATOM 648 HZ1 LYS A 63 -3.177 21.531 61.978 1.00 0.00 H ATOM 649 HZ2 LYS A 63 -2.796 21.313 63.619 1.00 0.00 H ATOM 650 HZ3 LYS A 63 -4.400 21.625 63.154 1.00 0.00 H ATOM 651 H LYS A 63 2.087 21.383 62.033 1.00 0.00 H ATOM 652 N GLY A 64 3.698 23.667 61.276 1.00 13.94 N ATOM 653 CA GLY A 64 4.922 24.394 60.993 1.00 12.53 C ATOM 654 C GLY A 64 4.831 25.299 59.783 1.00 13.30 C ATOM 655 O GLY A 64 3.752 25.873 59.482 1.00 12.75 O ATOM 656 H GLY A 64 3.567 22.725 60.856 1.00 0.00 H ATOM 657 N ASP A 65 5.944 25.504 59.102 1.00 12.47 N ATOM 658 CA ASP A 65 5.960 26.526 58.040 1.00 11.79 C ATOM 659 C ASP A 65 4.993 26.150 56.927 1.00 12.52 C ATOM 660 O ASP A 65 4.839 24.983 56.588 1.00 11.46 O ATOM 661 CB ASP A 65 7.362 26.632 57.414 1.00 12.50 C ATOM 662 CG ASP A 65 8.412 27.114 58.359 1.00 12.57 C ATOM 663 OD1 ASP A 65 8.121 27.823 59.335 1.00 15.94 O ATOM 664 OD2 ASP A 65 9.571 26.722 58.107 1.00 13.58 O ATOM 665 H ASP A 65 6.799 24.951 59.313 1.00 0.00 H ATOM 666 N PRO A 66 4.377 27.159 56.303 1.00 13.29 N ATOM 667 CA PRO A 66 3.638 26.892 55.073 1.00 13.61 C ATOM 668 C PRO A 66 4.565 26.470 53.944 1.00 13.58 C ATOM 669 O PRO A 66 5.726 26.797 53.922 1.00 14.14 O ATOM 670 CB PRO A 66 2.978 28.214 54.730 1.00 16.63 C ATOM 671 CG PRO A 66 3.864 29.227 55.319 1.00 18.99 C ATOM 672 CD PRO A 66 4.509 28.595 56.552 1.00 15.28 C ATOM 673 N ALA A 67 4.057 25.723 53.003 1.00 12.87 N ATOM 674 CA ALA A 67 4.868 25.298 51.852 1.00 12.75 C ATOM 675 C ALA A 67 5.317 26.547 51.104 1.00 13.70 C ATOM 676 O ALA A 67 4.469 27.353 50.716 1.00 17.98 O ATOM 677 CB ALA A 67 4.116 24.415 50.918 1.00 14.67 C ATOM 678 H ALA A 67 3.063 25.423 53.068 1.00 0.00 H ATOM 679 N PRO A 68 6.626 26.629 50.754 1.00 14.52 N ATOM 680 CA PRO A 68 7.093 27.832 50.014 1.00 15.37 C ATOM 681 C PRO A 68 7.061 27.634 48.505 1.00 17.74 C ATOM 682 O PRO A 68 7.284 28.562 47.795 1.00 20.26 O ATOM 683 CB PRO A 68 8.547 27.997 50.505 1.00 17.49 C ATOM 684 CG PRO A 68 8.967 26.577 50.794 1.00 16.72 C ATOM 685 CD PRO A 68 7.735 25.869 51.342 1.00 17.45 C ATOM 686 N LEU A 69 6.853 26.380 48.061 1.00 14.16 N ATOM 687 CA LEU A 69 6.822 26.020 46.644 1.00 14.38 C ATOM 688 C LEU A 69 5.652 25.063 46.446 1.00 12.87 C ATOM 689 O LEU A 69 5.184 24.420 47.393 1.00 13.94 O ATOM 690 CB LEU A 69 8.096 25.240 46.243 1.00 17.83 C ATOM 691 CG LEU A 69 9.437 25.887 46.287 1.00 19.52 C ATOM 692 CD1 LEU A 69 10.515 24.935 45.801 1.00 21.74 C ATOM 693 CD2 LEU A 69 9.566 27.161 45.511 1.00 22.90 C ATOM 694 H LEU A 69 6.707 25.627 48.763 1.00 0.00 H ATOM 695 N PRO A 70 5.178 24.931 45.203 1.00 12.85 N ATOM 696 CA PRO A 70 4.246 23.843 44.939 1.00 13.07 C ATOM 697 C PRO A 70 4.790 22.500 45.348 1.00 11.70 C ATOM 698 O PRO A 70 5.984 22.215 45.196 1.00 12.14 O ATOM 699 CB PRO A 70 3.981 23.918 43.411 1.00 14.09 C ATOM 700 CG PRO A 70 4.329 25.344 43.074 1.00 15.45 C ATOM 701 CD PRO A 70 5.489 25.716 43.998 1.00 14.46 C ATOM 702 N ILE A 71 3.889 21.591 45.713 1.00 11.36 N ATOM 703 CA ILE A 71 4.271 20.245 46.062 1.00 10.62 C ATOM 704 C ILE A 71 5.086 19.548 44.964 1.00 9.94 C ATOM 705 O ILE A 71 6.080 18.873 45.267 1.00 11.44 O ATOM 706 CB ILE A 71 3.023 19.433 46.462 1.00 11.99 C ATOM 707 CG1 ILE A 71 2.510 19.896 47.796 1.00 14.67 C ATOM 708 CG2 ILE A 71 3.432 17.954 46.636 1.00 13.92 C ATOM 709 CD1 ILE A 71 1.168 19.286 48.225 1.00 18.67 C ATOM 710 H ILE A 71 2.884 21.858 45.747 1.00 0.00 H ATOM 711 N ALA A 72 4.696 19.727 43.713 1.00 10.54 N ATOM 712 CA ALA A 72 5.379 19.049 42.646 1.00 12.81 C ATOM 713 C ALA A 72 6.863 19.479 42.584 1.00 11.08 C ATOM 714 O ALA A 72 7.747 18.688 42.290 1.00 12.03 O ATOM 715 CB ALA A 72 4.638 19.356 41.343 1.00 15.19 C ATOM 716 H ALA A 72 3.896 20.357 43.502 1.00 0.00 H ATOM 717 N ASP A 73 7.136 20.761 42.874 1.00 10.43 N ATOM 718 CA ASP A 73 8.515 21.276 42.897 1.00 11.14 C ATOM 719 C ASP A 73 9.275 20.748 44.088 1.00 11.14 C ATOM 720 O ASP A 73 10.473 20.414 43.924 1.00 12.31 O ATOM 721 CB ASP A 73 8.510 22.798 42.808 1.00 12.69 C ATOM 722 CG ASP A 73 7.834 23.251 41.527 1.00 16.61 C ATOM 723 OD1 ASP A 73 8.360 23.045 40.421 1.00 26.08 O ATOM 724 OD2 ASP A 73 6.778 23.821 41.588 1.00 21.74 O ATOM 725 H ASP A 73 6.351 21.409 43.088 1.00 0.00 H ATOM 726 N ILE A 74 8.668 20.700 45.257 1.00 10.44 N ATOM 727 CA ILE A 74 9.312 20.112 46.426 1.00 9.74 C ATOM 728 C ILE A 74 9.679 18.666 46.111 1.00 9.48 C ATOM 729 O ILE A 74 10.816 18.197 46.338 1.00 9.33 O ATOM 730 CB ILE A 74 8.393 20.209 47.652 1.00 10.34 C ATOM 731 CG1 ILE A 74 8.082 21.676 47.971 1.00 11.11 C ATOM 732 CG2 ILE A 74 9.022 19.458 48.816 1.00 11.03 C ATOM 733 CD1 ILE A 74 7.062 21.805 49.049 1.00 14.67 C ATOM 734 H ILE A 74 7.708 21.090 45.348 1.00 0.00 H ATOM 735 N HIS A 75 8.723 17.950 45.503 1.00 9.49 N ATOM 736 CA HIS A 75 8.915 16.536 45.246 1.00 8.34 C ATOM 737 C HIS A 75 10.017 16.305 44.157 1.00 9.68 C ATOM 738 O HIS A 75 10.743 15.325 44.240 1.00 10.83 O ATOM 739 CB HIS A 75 7.602 15.863 44.924 1.00 8.92 C ATOM 740 CG HIS A 75 7.766 14.378 44.865 1.00 7.99 C ATOM 741 ND1 HIS A 75 7.839 13.673 43.716 1.00 12.77 N ATOM 742 CD2 HIS A 75 7.935 13.475 45.879 1.00 8.29 C ATOM 743 CE1 HIS A 75 8.036 12.400 43.998 1.00 11.14 C ATOM 744 NE2 HIS A 75 8.105 12.268 45.292 1.00 9.12 N ATOM 745 H HIS A 75 7.837 18.412 45.214 1.00 0.00 H ATOM 746 N ARG A 76 10.032 17.139 43.142 1.00 10.54 N ATOM 747 CA ARG A 76 11.067 17.043 42.131 1.00 11.15 C ATOM 748 C ARG A 76 12.471 17.150 42.759 1.00 10.60 C ATOM 749 O ARG A 76 13.391 16.404 42.435 1.00 11.49 O ATOM 750 CB ARG A 76 10.938 18.103 41.091 1.00 11.59 C ATOM 751 CG ARG A 76 11.993 18.020 39.950 1.00 19.28 C ATOM 752 CD ARG A 76 11.671 18.999 38.783 1.00 28.58 C ATOM 753 NE ARG A 76 10.202 19.144 38.593 1.00 33.71 N ATOM 754 CZ ARG A 76 9.480 20.251 38.946 1.00 43.27 C ATOM 755 NH1 ARG A 76 10.098 21.365 39.445 1.00 46.35 N ATOM 756 NH2 ARG A 76 8.128 20.275 38.792 1.00 35.04 N ATOM 757 HE ARG A 76 9.689 18.349 38.162 1.00 0.00 H ATOM 758 HH12 ARG A 76 9.534 22.198 39.709 1.00 0.00 H ATOM 759 HH11 ARG A 76 11.131 21.378 39.561 1.00 0.00 H ATOM 760 HH22 ARG A 76 7.589 21.122 39.064 1.00 0.00 H ATOM 761 HH21 ARG A 76 7.634 19.447 38.403 1.00 0.00 H ATOM 762 H ARG A 76 9.298 17.872 43.063 1.00 0.00 H ATOM 763 N ALA A 77 12.647 18.078 43.685 1.00 11.00 N ATOM 764 CA ALA A 77 13.941 18.280 44.332 1.00 10.91 C ATOM 765 C ALA A 77 14.258 17.019 45.171 1.00 10.08 C ATOM 766 O ALA A 77 15.383 16.545 45.167 1.00 11.07 O ATOM 767 CB ALA A 77 13.884 19.540 45.213 1.00 12.15 C ATOM 768 H ALA A 77 11.844 18.679 43.959 1.00 0.00 H ATOM 769 N LYS A 78 13.250 16.483 45.847 1.00 9.30 N ATOM 770 CA LYS A 78 13.453 15.282 46.615 1.00 7.78 C ATOM 771 C LYS A 78 13.871 14.100 45.727 1.00 7.30 C ATOM 772 O LYS A 78 14.688 13.292 46.153 1.00 8.51 O ATOM 773 CB LYS A 78 12.193 14.983 47.418 1.00 7.37 C ATOM 774 CG LYS A 78 12.223 13.639 48.163 1.00 7.14 C ATOM 775 CD LYS A 78 11.617 12.493 47.403 1.00 7.28 C ATOM 776 CE LYS A 78 11.836 11.146 48.036 1.00 7.39 C ATOM 777 NZ LYS A 78 11.273 10.035 47.227 1.00 7.43 N ATOM 778 HZ1 LYS A 78 10.248 10.173 47.116 1.00 0.00 H ATOM 779 HZ2 LYS A 78 11.726 10.025 46.291 1.00 0.00 H ATOM 780 HZ3 LYS A 78 11.452 9.131 47.709 1.00 0.00 H ATOM 781 H LYS A 78 12.312 16.931 45.822 1.00 0.00 H ATOM 782 N THR A 79 13.231 14.003 44.550 1.00 8.86 N ATOM 783 CA THR A 79 13.579 12.919 43.638 1.00 8.16 C ATOM 784 C THR A 79 15.024 13.037 43.164 1.00 10.44 C ATOM 785 O THR A 79 15.755 12.053 43.097 1.00 11.29 O ATOM 786 CB THR A 79 12.595 12.876 42.490 1.00 9.62 C ATOM 787 OG1 THR A 79 11.273 12.629 42.966 1.00 9.63 O ATOM 788 CG2 THR A 79 12.939 11.833 41.455 1.00 10.97 C ATOM 789 HG1 THR A 79 10.647 12.605 42.200 1.00 0.00 H ATOM 790 H THR A 79 12.496 14.692 44.292 1.00 0.00 H ATOM 791 N GLU A 80 15.452 14.256 42.812 1.00 10.33 N ATOM 792 CA GLU A 80 16.873 14.431 42.412 1.00 12.05 C ATOM 793 C GLU A 80 17.805 13.974 43.514 1.00 11.88 C ATOM 794 O GLU A 80 18.827 13.316 43.272 1.00 12.21 O ATOM 795 CB GLU A 80 17.111 15.893 42.082 1.00 14.57 C ATOM 796 CG GLU A 80 16.383 16.308 40.768 1.00 20.71 C ATOM 797 CD GLU A 80 16.165 17.827 40.608 1.00 28.49 C ATOM 798 OE1 GLU A 80 16.555 18.620 41.562 1.00 41.37 O ATOM 799 OE2 GLU A 80 15.586 18.243 39.563 1.00 37.85 O ATOM 800 H GLU A 80 14.801 15.067 42.818 1.00 0.00 H ATOM 801 N ARG A 81 17.458 14.288 44.758 1.00 10.63 N ATOM 802 CA ARG A 81 18.262 13.835 45.889 1.00 10.22 C ATOM 803 C ARG A 81 18.274 12.333 46.055 1.00 9.54 C ATOM 804 O ARG A 81 19.326 11.749 46.240 1.00 11.95 O ATOM 805 CB ARG A 81 17.852 14.543 47.172 1.00 10.88 C ATOM 806 CG ARG A 81 18.724 14.354 48.325 1.00 15.72 C ATOM 807 CD ARG A 81 18.254 15.232 49.456 1.00 21.44 C ATOM 808 NE ARG A 81 18.317 16.633 49.147 1.00 24.37 N ATOM 809 CZ ARG A 81 19.406 17.418 49.339 1.00 25.36 C ATOM 810 NH1 ARG A 81 20.560 16.927 49.778 1.00 26.24 N ATOM 811 NH2 ARG A 81 19.342 18.665 49.024 1.00 28.69 N ATOM 812 HE ARG A 81 17.466 17.078 48.747 1.00 0.00 H ATOM 813 HH12 ARG A 81 21.375 17.558 49.914 1.00 0.00 H ATOM 814 HH11 ARG A 81 20.648 15.912 49.986 1.00 0.00 H ATOM 815 HH22 ARG A 81 20.169 19.280 49.165 1.00 0.00 H ATOM 816 HH21 ARG A 81 18.464 19.057 48.628 1.00 0.00 H ATOM 817 H ARG A 81 16.607 14.861 44.927 1.00 0.00 H ATOM 818 N PHE A 82 17.112 11.724 45.967 1.00 9.69 N ATOM 819 CA PHE A 82 17.015 10.290 46.079 1.00 9.13 C ATOM 820 C PHE A 82 17.844 9.622 44.985 1.00 8.87 C ATOM 821 O PHE A 82 18.532 8.684 45.258 1.00 9.34 O ATOM 822 CB PHE A 82 15.592 9.783 46.031 1.00 8.93 C ATOM 823 CG PHE A 82 15.495 8.275 46.184 1.00 7.94 C ATOM 824 CD1 PHE A 82 15.429 7.709 47.453 1.00 9.14 C ATOM 825 CD2 PHE A 82 15.480 7.438 45.074 1.00 8.55 C ATOM 826 CE1 PHE A 82 15.313 6.348 47.598 1.00 10.45 C ATOM 827 CE2 PHE A 82 15.418 6.085 45.232 1.00 8.68 C ATOM 828 CZ PHE A 82 15.354 5.522 46.481 1.00 9.18 C ATOM 829 H PHE A 82 16.250 12.285 45.814 1.00 0.00 H ATOM 830 N VAL A 83 17.717 10.099 43.761 1.00 8.96 N ATOM 831 CA VAL A 83 18.481 9.494 42.650 1.00 9.48 C ATOM 832 C VAL A 83 19.976 9.543 42.925 1.00 9.68 C ATOM 833 O VAL A 83 20.730 8.581 42.697 1.00 10.88 O ATOM 834 CB VAL A 83 18.119 10.145 41.321 1.00 10.45 C ATOM 835 CG1 VAL A 83 19.098 9.878 40.215 1.00 12.27 C ATOM 836 CG2 VAL A 83 16.687 9.802 40.955 1.00 10.42 C ATOM 837 H VAL A 83 17.080 10.900 43.578 1.00 0.00 H ATOM 838 N ALA A 84 20.440 10.729 43.373 1.00 9.56 N ATOM 839 CA ALA A 84 21.834 10.903 43.689 1.00 10.66 C ATOM 840 C ALA A 84 22.317 10.000 44.792 1.00 10.32 C ATOM 841 O ALA A 84 23.392 9.368 44.737 1.00 12.47 O ATOM 842 CB ALA A 84 22.149 12.374 44.010 1.00 12.29 C ATOM 843 H ALA A 84 19.783 11.526 43.491 1.00 0.00 H ATOM 844 N LEU A 85 21.511 9.880 45.845 1.00 10.25 N ATOM 845 CA LEU A 85 21.868 8.955 46.945 1.00 11.66 C ATOM 846 C LEU A 85 21.889 7.511 46.527 1.00 10.01 C ATOM 847 O LEU A 85 22.770 6.758 46.911 1.00 12.46 O ATOM 848 CB LEU A 85 20.917 9.161 48.152 1.00 12.08 C ATOM 849 CG LEU A 85 21.055 10.557 48.819 1.00 14.83 C ATOM 850 CD1 LEU A 85 19.899 10.762 49.794 1.00 16.31 C ATOM 851 CD2 LEU A 85 22.377 10.620 49.522 1.00 23.09 C ATOM 852 H LEU A 85 20.633 10.435 45.895 1.00 0.00 H ATOM 853 N MET A 86 20.904 7.080 45.783 1.00 9.86 N ATOM 854 CA MET A 86 20.770 5.732 45.298 1.00 10.73 C ATOM 855 C MET A 86 22.002 5.332 44.489 1.00 10.21 C ATOM 856 O MET A 86 22.477 4.203 44.582 1.00 10.20 O ATOM 857 CB MET A 86 19.487 5.576 44.482 1.00 10.43 C ATOM 858 CG MET A 86 19.369 4.193 43.826 1.00 10.08 C ATOM 859 SD MET A 86 19.419 2.735 44.862 1.00 13.77 S ATOM 860 CE MET A 86 17.948 2.995 45.653 1.00 14.47 C ATOM 861 H MET A 86 20.163 7.762 45.523 1.00 0.00 H ATOM 862 N ALA A 87 22.495 6.258 43.690 1.00 10.97 N ATOM 863 CA ALA A 87 23.647 5.992 42.819 1.00 11.29 C ATOM 864 C ALA A 87 24.897 5.623 43.609 1.00 11.25 C ATOM 865 O ALA A 87 25.878 5.068 43.048 1.00 13.05 O ATOM 866 CB ALA A 87 23.904 7.119 41.874 1.00 14.62 C ATOM 867 H ALA A 87 22.057 7.201 43.676 1.00 0.00 H ATOM 868 N GLU A 88 25.000 6.034 44.871 1.00 12.24 N ATOM 869 CA GLU A 88 26.240 5.839 45.609 1.00 12.66 C ATOM 870 C GLU A 88 26.553 4.371 45.907 1.00 13.78 C ATOM 871 O GLU A 88 27.657 4.037 46.207 1.00 15.24 O ATOM 872 CB GLU A 88 26.183 6.633 46.932 1.00 13.11 C ATOM 873 CG GLU A 88 26.033 8.092 46.775 1.00 15.23 C ATOM 874 CD GLU A 88 25.885 8.825 48.101 1.00 22.15 C ATOM 875 OE1 GLU A 88 25.779 8.138 49.159 1.00 26.98 O ATOM 876 OE2 GLU A 88 25.786 10.051 48.110 1.00 26.58 O ATOM 877 H GLU A 88 24.191 6.497 45.332 1.00 0.00 H ATOM 878 N GLY A 89 25.580 3.478 45.701 1.00 14.69 N ATOM 879 CA GLY A 89 25.858 2.106 45.988 1.00 14.48 C ATOM 880 C GLY A 89 25.830 1.578 47.377 1.00 14.11 C ATOM 881 O GLY A 89 26.364 0.512 47.643 1.00 18.58 O ATOM 882 H GLY A 89 24.649 3.773 45.343 1.00 0.00 H ATOM 883 N GLU A 90 25.165 2.285 48.267 1.00 12.87 N ATOM 884 CA GLU A 90 25.026 1.842 49.603 1.00 14.76 C ATOM 885 C GLU A 90 23.852 0.867 49.766 1.00 15.87 C ATOM 886 O GLU A 90 23.800 0.112 50.733 1.00 21.44 O ATOM 887 CB GLU A 90 24.913 3.016 50.567 1.00 16.44 C ATOM 888 CG GLU A 90 26.167 3.899 50.593 1.00 18.65 C ATOM 889 CD GLU A 90 27.421 3.297 51.211 1.00 21.25 C ATOM 890 OE1 GLU A 90 27.322 2.218 51.796 1.00 23.88 O ATOM 891 OE2 GLU A 90 28.501 3.969 51.107 1.00 26.54 O ATOM 892 H GLU A 90 24.733 3.187 47.982 1.00 0.00 H ATOM 893 N ILE A 91 22.891 0.871 48.849 1.00 13.13 N ATOM 894 CA ILE A 91 21.711 0.043 48.890 1.00 13.75 C ATOM 895 C ILE A 91 21.949 -1.100 47.939 1.00 11.48 C ATOM 896 O ILE A 91 22.178 -0.869 46.779 1.00 16.02 O ATOM 897 CB ILE A 91 20.458 0.796 48.394 1.00 16.23 C ATOM 898 CG1 ILE A 91 20.101 2.097 49.054 1.00 22.50 C ATOM 899 CG2 ILE A 91 19.234 -0.120 48.513 1.00 21.11 C ATOM 900 CD1 ILE A 91 19.887 1.938 50.467 1.00 22.96 C ATOM 901 H ILE A 91 22.997 1.519 48.042 1.00 0.00 H ATOM 902 N ALA A 92 21.712 -2.305 48.398 1.00 13.15 N ATOM 903 CA ALA A 92 21.741 -3.478 47.530 1.00 12.59 C ATOM 904 C ALA A 92 20.301 -4.072 47.413 1.00 11.44 C ATOM 905 O ALA A 92 19.414 -3.738 48.227 1.00 11.22 O ATOM 906 CB ALA A 92 22.667 -4.511 48.074 1.00 16.07 C ATOM 907 H ALA A 92 21.497 -2.428 49.408 1.00 0.00 H ATOM 908 N LEU A 93 20.106 -5.052 46.523 1.00 10.76 N ATOM 909 CA LEU A 93 18.800 -5.732 46.367 1.00 9.14 C ATOM 910 C LEU A 93 18.595 -6.550 47.637 1.00 9.77 C ATOM 911 O LEU A 93 19.557 -7.017 48.296 1.00 11.27 O ATOM 912 CB LEU A 93 18.842 -6.612 45.145 1.00 10.73 C ATOM 913 CG LEU A 93 18.981 -5.853 43.821 1.00 12.19 C ATOM 914 CD1 LEU A 93 19.229 -6.884 42.709 1.00 14.72 C ATOM 915 CD2 LEU A 93 17.783 -5.051 43.535 1.00 12.76 C ATOM 916 H LEU A 93 20.900 -5.347 45.919 1.00 0.00 H ATOM 917 N ARG A 94 17.354 -6.747 47.967 1.00 9.30 N ATOM 918 CA ARG A 94 16.984 -7.634 49.036 1.00 9.26 C ATOM 919 C ARG A 94 17.431 -9.051 48.673 1.00 9.32 C ATOM 920 O ARG A 94 17.426 -9.417 47.497 1.00 9.81 O ATOM 921 CB ARG A 94 15.491 -7.598 49.283 1.00 8.64 C ATOM 922 CG ARG A 94 15.028 -6.298 49.941 1.00 8.81 C ATOM 923 CD ARG A 94 13.585 -6.397 50.435 1.00 8.01 C ATOM 924 NE ARG A 94 13.495 -7.372 51.529 1.00 9.95 N ATOM 925 CZ ARG A 94 12.308 -7.844 51.978 1.00 8.43 C ATOM 926 NH1 ARG A 94 11.173 -7.417 51.504 1.00 9.53 N ATOM 927 NH2 ARG A 94 12.356 -8.789 52.943 1.00 9.43 N ATOM 928 HE ARG A 94 14.372 -7.711 51.974 1.00 0.00 H ATOM 929 HH12 ARG A 94 10.279 -7.801 51.871 1.00 0.00 H ATOM 930 HH11 ARG A 94 11.161 -6.692 50.758 1.00 0.00 H ATOM 931 HH22 ARG A 94 11.475 -9.187 53.325 1.00 0.00 H ATOM 932 HH21 ARG A 94 13.274 -9.118 53.303 1.00 0.00 H ATOM 933 H ARG A 94 16.607 -6.249 47.443 1.00 0.00 H ATOM 934 N PRO A 95 17.757 -9.853 49.685 1.00 10.99 N ATOM 935 CA PRO A 95 18.117 -11.231 49.394 1.00 10.93 C ATOM 936 C PRO A 95 17.056 -11.942 48.551 1.00 10.80 C ATOM 937 O PRO A 95 15.818 -11.803 48.787 1.00 11.11 O ATOM 938 CB PRO A 95 18.181 -11.860 50.816 1.00 14.14 C ATOM 939 CG PRO A 95 18.556 -10.702 51.710 1.00 16.39 C ATOM 940 CD PRO A 95 17.774 -9.556 51.123 1.00 11.01 C ATOM 941 N GLY A 96 17.518 -12.776 47.608 1.00 11.07 N ATOM 942 CA GLY A 96 16.652 -13.545 46.788 1.00 11.13 C ATOM 943 C GLY A 96 16.218 -12.891 45.494 1.00 11.16 C ATOM 944 O GLY A 96 15.810 -13.577 44.569 1.00 11.06 O ATOM 945 H GLY A 96 18.546 -12.862 47.473 1.00 0.00 H ATOM 946 N ILE A 97 16.215 -11.568 45.436 1.00 10.45 N ATOM 947 CA ILE A 97 15.682 -10.827 44.313 1.00 10.35 C ATOM 948 C ILE A 97 16.503 -11.007 43.030 1.00 10.43 C ATOM 949 O ILE A 97 15.952 -11.317 41.967 1.00 10.60 O ATOM 950 CB ILE A 97 15.456 -9.336 44.659 1.00 9.89 C ATOM 951 CG1 ILE A 97 14.348 -9.138 45.715 1.00 10.05 C ATOM 952 CG2 ILE A 97 15.252 -8.494 43.407 1.00 10.58 C ATOM 953 CD1 ILE A 97 12.932 -9.484 45.276 1.00 11.85 C ATOM 954 H ILE A 97 16.615 -11.036 46.235 1.00 0.00 H ATOM 955 N ALA A 98 17.834 -10.835 43.140 1.00 10.96 N ATOM 956 CA ALA A 98 18.710 -10.980 41.968 1.00 12.53 C ATOM 957 C ALA A 98 18.546 -12.398 41.404 1.00 11.76 C ATOM 958 O ALA A 98 18.490 -12.611 40.187 1.00 13.04 O ATOM 959 CB ALA A 98 20.141 -10.699 42.294 1.00 11.93 C ATOM 960 H ALA A 98 18.247 -10.597 44.064 1.00 0.00 H ATOM 961 N ASP A 99 18.582 -13.378 42.305 1.00 12.95 N ATOM 962 CA ASP A 99 18.514 -14.809 41.856 1.00 14.17 C ATOM 963 C ASP A 99 17.183 -15.100 41.178 1.00 12.58 C ATOM 964 O ASP A 99 17.168 -15.809 40.152 1.00 12.90 O ATOM 965 CB ASP A 99 18.631 -15.733 43.040 1.00 15.42 C ATOM 966 CG ASP A 99 20.037 -15.796 43.616 1.00 19.25 C ATOM 967 OD1 ASP A 99 20.999 -15.387 42.963 1.00 21.75 O ATOM 968 OD2 ASP A 99 20.157 -16.355 44.713 1.00 25.37 O ATOM 969 H ASP A 99 18.657 -13.153 43.317 1.00 0.00 H ATOM 970 N LEU A 100 16.074 -14.563 41.676 1.00 10.74 N ATOM 971 CA LEU A 100 14.797 -14.794 41.070 1.00 10.96 C ATOM 972 C LEU A 100 14.719 -14.193 39.666 1.00 11.41 C ATOM 973 O LEU A 100 14.234 -14.797 38.702 1.00 11.88 O ATOM 974 CB LEU A 100 13.650 -14.281 41.919 1.00 11.80 C ATOM 975 CG LEU A 100 12.222 -14.525 41.436 1.00 13.95 C ATOM 976 CD1 LEU A 100 11.982 -16.024 41.365 1.00 17.73 C ATOM 977 CD2 LEU A 100 11.211 -13.780 42.236 1.00 12.90 C ATOM 978 H LEU A 100 16.135 -13.963 42.523 1.00 0.00 H ATOM 979 N ILE A 101 15.204 -12.939 39.554 1.00 10.94 N ATOM 980 CA ILE A 101 15.170 -12.282 38.289 1.00 10.59 C ATOM 981 C ILE A 101 16.031 -13.038 37.277 1.00 12.50 C ATOM 982 O ILE A 101 15.627 -13.181 36.114 1.00 13.58 O ATOM 983 CB ILE A 101 15.551 -10.793 38.424 1.00 10.72 C ATOM 984 CG1 ILE A 101 14.408 -10.090 39.143 1.00 10.37 C ATOM 985 CG2 ILE A 101 15.837 -10.135 37.122 1.00 12.49 C ATOM 986 CD1 ILE A 101 14.608 -8.659 39.612 1.00 11.97 C ATOM 987 H ILE A 101 15.600 -12.455 40.385 1.00 0.00 H ATOM 988 N ALA A 102 17.230 -13.478 37.690 1.00 11.73 N ATOM 989 CA ALA A 102 18.104 -14.260 36.793 1.00 13.51 C ATOM 990 C ALA A 102 17.426 -15.557 36.360 1.00 13.02 C ATOM 991 O ALA A 102 17.491 -15.933 35.183 1.00 15.17 O ATOM 992 CB ALA A 102 19.456 -14.447 37.389 1.00 15.79 C ATOM 993 H ALA A 102 17.548 -13.265 38.657 1.00 0.00 H ATOM 994 N GLU A 103 16.732 -16.238 37.269 1.00 13.34 N ATOM 995 CA GLU A 103 16.036 -17.508 36.921 1.00 13.27 C ATOM 996 C GLU A 103 14.918 -17.193 35.961 1.00 12.54 C ATOM 997 O GLU A 103 14.700 -17.908 34.951 1.00 14.09 O ATOM 998 CB GLU A 103 15.498 -18.229 38.176 1.00 14.06 C ATOM 999 CG GLU A 103 15.085 -19.683 37.956 1.00 17.58 C ATOM 1000 CD GLU A 103 14.472 -20.327 39.221 1.00 17.99 C ATOM 1001 OE1 GLU A 103 14.421 -19.575 40.188 1.00 22.32 O ATOM 1002 OE2 GLU A 103 14.000 -21.533 39.254 1.00 18.32 O ATOM 1003 H GLU A 103 16.675 -15.876 38.242 1.00 0.00 H ATOM 1004 N ALA A 104 14.199 -16.112 36.234 1.00 12.92 N ATOM 1005 CA ALA A 104 13.106 -15.745 35.338 1.00 14.06 C ATOM 1006 C ALA A 104 13.568 -15.456 33.907 1.00 13.61 C ATOM 1007 O ALA A 104 12.963 -15.926 32.929 1.00 15.51 O ATOM 1008 CB ALA A 104 12.280 -14.553 35.927 1.00 13.19 C ATOM 1009 H ALA A 104 14.411 -15.535 37.073 1.00 0.00 H ATOM 1010 N LYS A 105 14.664 -14.729 33.811 1.00 15.63 N ATOM 1011 CA LYS A 105 15.218 -14.414 32.510 1.00 17.80 C ATOM 1012 C LYS A 105 15.613 -15.704 31.794 1.00 17.07 C ATOM 1013 O LYS A 105 15.335 -15.857 30.591 1.00 19.73 O ATOM 1014 CB LYS A 105 16.376 -13.446 32.627 1.00 15.86 C ATOM 1015 CG LYS A 105 15.835 -12.049 32.921 1.00 21.66 C ATOM 1016 CD LYS A 105 16.892 -11.080 33.053 1.00 22.79 C ATOM 1017 CE LYS A 105 16.305 -9.664 33.163 1.00 23.51 C ATOM 1018 NZ LYS A 105 15.495 -9.153 32.047 1.00 24.62 N ATOM 1019 HZ1 LYS A 105 16.071 -9.136 31.181 1.00 0.00 H ATOM 1020 HZ2 LYS A 105 14.672 -9.773 31.905 1.00 0.00 H ATOM 1021 HZ3 LYS A 105 15.171 -8.190 32.268 1.00 0.00 H ATOM 1022 H LYS A 105 15.132 -14.381 34.672 1.00 0.00 H ATOM 1023 N ARG A 106 16.304 -16.614 32.484 1.00 17.81 N ATOM 1024 CA ARG A 106 16.705 -17.864 31.816 1.00 18.16 C ATOM 1025 C ARG A 106 15.495 -18.671 31.352 1.00 17.46 C ATOM 1026 O ARG A 106 15.572 -19.344 30.317 1.00 21.52 O ATOM 1027 CB ARG A 106 17.610 -18.650 32.747 1.00 20.54 C ATOM 1028 CG ARG A 106 17.991 -20.053 32.414 1.00 22.40 C ATOM 1029 CD ARG A 106 18.816 -20.675 33.597 1.00 27.97 C ATOM 1030 NE ARG A 106 19.363 -19.695 34.570 1.00 38.06 N ATOM 1031 CZ ARG A 106 19.115 -19.654 35.905 1.00 34.15 C ATOM 1032 NH1 ARG A 106 18.313 -20.557 36.532 1.00 27.37 N ATOM 1033 NH2 ARG A 106 19.664 -18.670 36.635 1.00 28.47 N ATOM 1034 HE ARG A 106 20.001 -18.966 34.191 1.00 0.00 H ATOM 1035 HH12 ARG A 106 18.152 -20.486 37.557 1.00 0.00 H ATOM 1036 HH11 ARG A 106 17.861 -21.318 35.986 1.00 0.00 H ATOM 1037 HH22 ARG A 106 19.486 -18.621 37.659 1.00 0.00 H ATOM 1038 HH21 ARG A 106 20.267 -17.957 36.177 1.00 0.00 H ATOM 1039 H ARG A 106 16.556 -16.443 33.479 1.00 0.00 H ATOM 1040 N ALA A 107 14.380 -18.582 32.083 1.00 17.18 N ATOM 1041 CA ALA A 107 13.143 -19.251 31.723 1.00 17.97 C ATOM 1042 C ALA A 107 12.252 -18.499 30.758 1.00 19.45 C ATOM 1043 O ALA A 107 11.186 -19.029 30.344 1.00 21.42 O ATOM 1044 CB ALA A 107 12.320 -19.501 32.970 1.00 19.61 C ATOM 1045 H ALA A 107 14.399 -18.007 32.949 1.00 0.00 H ATOM 1046 N GLY A 108 12.684 -17.324 30.335 1.00 17.81 N ATOM 1047 CA GLY A 108 11.859 -16.517 29.424 1.00 17.68 C ATOM 1048 C GLY A 108 10.557 -15.935 30.032 1.00 18.05 C ATOM 1049 O GLY A 108 9.622 -15.651 29.299 1.00 21.21 O ATOM 1050 H GLY A 108 13.610 -16.969 30.647 1.00 0.00 H ATOM 1051 N ILE A 109 10.511 -15.795 31.346 1.00 15.00 N ATOM 1052 CA ILE A 109 9.374 -15.242 32.034 1.00 13.77 C ATOM 1053 C ILE A 109 9.405 -13.699 31.929 1.00 13.24 C ATOM 1054 O ILE A 109 10.398 -13.094 32.186 1.00 16.69 O ATOM 1055 CB ILE A 109 9.331 -15.801 33.480 1.00 14.85 C ATOM 1056 CG1 ILE A 109 9.143 -17.343 33.433 1.00 21.22 C ATOM 1057 CG2 ILE A 109 8.223 -15.131 34.321 1.00 15.47 C ATOM 1058 CD1 ILE A 109 9.158 -17.963 34.760 1.00 25.45 C ATOM 1059 H ILE A 109 11.333 -16.098 31.907 1.00 0.00 H ATOM 1060 N ARG A 110 8.272 -13.085 31.579 1.00 14.61 N ATOM 1061 CA ARG A 110 8.156 -11.650 31.424 1.00 14.93 C ATOM 1062 C ARG A 110 8.141 -11.000 32.821 1.00 11.43 C ATOM 1063 O ARG A 110 7.541 -11.541 33.767 1.00 12.74 O ATOM 1064 CB ARG A 110 6.837 -11.314 30.689 1.00 18.09 C ATOM 1065 CG ARG A 110 6.634 -12.080 29.381 1.00 21.45 C ATOM 1066 CD ARG A 110 5.317 -11.746 28.658 1.00 26.31 C ATOM 1067 NE ARG A 110 5.327 -12.234 27.289 1.00 27.40 N ATOM 1068 CZ ARG A 110 4.263 -12.356 26.504 1.00 31.09 C ATOM 1069 NH1 ARG A 110 3.050 -12.002 26.915 1.00 29.08 N ATOM 1070 NH2 ARG A 110 4.445 -12.840 25.272 1.00 28.70 N ATOM 1071 HE ARG A 110 6.246 -12.511 26.890 1.00 0.00 H ATOM 1072 HH12 ARG A 110 2.234 -12.108 26.279 1.00 0.00 H ATOM 1073 HH11 ARG A 110 2.917 -11.619 27.873 1.00 0.00 H ATOM 1074 HH22 ARG A 110 3.633 -12.949 24.631 1.00 0.00 H ATOM 1075 HH21 ARG A 110 5.398 -13.108 24.954 1.00 0.00 H ATOM 1076 H ARG A 110 7.428 -13.668 31.409 1.00 0.00 H ATOM 1077 N LEU A 111 8.800 -9.848 32.922 1.00 9.66 N ATOM 1078 CA LEU A 111 8.955 -9.140 34.199 1.00 9.00 C ATOM 1079 C LEU A 111 8.420 -7.715 34.126 1.00 8.93 C ATOM 1080 O LEU A 111 8.654 -7.021 33.143 1.00 10.09 O ATOM 1081 CB LEU A 111 10.438 -9.069 34.560 1.00 10.88 C ATOM 1082 CG LEU A 111 11.168 -10.432 34.674 1.00 11.26 C ATOM 1083 CD1 LEU A 111 12.596 -10.231 34.985 1.00 14.58 C ATOM 1084 CD2 LEU A 111 10.474 -11.310 35.684 1.00 13.90 C ATOM 1085 H LEU A 111 9.220 -9.434 32.065 1.00 0.00 H ATOM 1086 N ALA A 112 7.724 -7.297 35.177 1.00 8.74 N ATOM 1087 CA ALA A 112 7.267 -5.918 35.249 1.00 7.60 C ATOM 1088 C ALA A 112 7.617 -5.360 36.597 1.00 6.82 C ATOM 1089 O ALA A 112 7.694 -6.089 37.562 1.00 8.37 O ATOM 1090 CB ALA A 112 5.771 -5.831 35.094 1.00 8.27 C ATOM 1091 H ALA A 112 7.505 -7.957 35.950 1.00 0.00 H ATOM 1092 N VAL A 113 7.725 -4.044 36.637 1.00 7.75 N ATOM 1093 CA VAL A 113 7.576 -3.271 37.829 1.00 7.70 C ATOM 1094 C VAL A 113 6.139 -2.671 37.890 1.00 6.67 C ATOM 1095 O VAL A 113 5.678 -2.170 36.906 1.00 7.85 O ATOM 1096 CB VAL A 113 8.668 -2.148 37.929 1.00 10.45 C ATOM 1097 CG1 VAL A 113 8.288 -0.886 38.654 1.00 13.00 C ATOM 1098 CG2 VAL A 113 9.966 -2.806 38.383 1.00 11.49 C ATOM 1099 H VAL A 113 7.930 -3.542 35.750 1.00 0.00 H ATOM 1100 N ALA A 114 5.625 -2.669 39.117 1.00 6.98 N ATOM 1101 CA ALA A 114 4.340 -2.017 39.413 1.00 6.34 C ATOM 1102 C ALA A 114 4.481 -1.296 40.737 1.00 6.17 C ATOM 1103 O ALA A 114 4.504 -1.926 41.786 1.00 7.44 O ATOM 1104 CB ALA A 114 3.198 -3.014 39.455 1.00 7.99 C ATOM 1105 H ALA A 114 6.144 -3.140 39.885 1.00 0.00 H ATOM 1106 N THR A 115 4.682 0.031 40.667 1.00 6.21 N ATOM 1107 CA THR A 115 5.138 0.826 41.789 1.00 5.64 C ATOM 1108 C THR A 115 4.382 2.125 41.865 1.00 5.67 C ATOM 1109 O THR A 115 4.036 2.706 40.872 1.00 6.46 O ATOM 1110 CB THR A 115 6.682 1.062 41.740 1.00 6.97 C ATOM 1111 OG1 THR A 115 7.093 1.846 42.868 1.00 7.14 O ATOM 1112 CG2 THR A 115 7.103 1.752 40.507 1.00 7.39 C ATOM 1113 HG1 THR A 115 6.862 1.367 43.703 1.00 0.00 H ATOM 1114 H THR A 115 4.501 0.511 39.762 1.00 0.00 H ATOM 1115 N THR A 116 4.293 2.645 43.101 1.00 6.10 N ATOM 1116 CA THR A 116 3.839 4.001 43.348 1.00 5.94 C ATOM 1117 C THR A 116 4.927 5.045 43.138 1.00 6.44 C ATOM 1118 O THR A 116 4.602 6.239 43.087 1.00 8.04 O ATOM 1119 CB THR A 116 3.243 4.134 44.751 1.00 7.31 C ATOM 1120 OG1 THR A 116 4.254 4.026 45.733 1.00 7.08 O ATOM 1121 CG2 THR A 116 2.122 3.122 44.954 1.00 7.50 C ATOM 1122 HG1 THR A 116 4.696 3.144 45.654 1.00 0.00 H ATOM 1123 H THR A 116 4.560 2.052 43.913 1.00 0.00 H ATOM 1124 N THR A 117 6.186 4.631 43.074 1.00 6.15 N ATOM 1125 CA THR A 117 7.310 5.524 43.135 1.00 5.87 C ATOM 1126 C THR A 117 7.571 6.211 41.791 1.00 6.19 C ATOM 1127 O THR A 117 7.161 5.744 40.738 1.00 7.65 O ATOM 1128 CB THR A 117 8.561 4.739 43.594 1.00 7.06 C ATOM 1129 OG1 THR A 117 9.462 5.570 44.359 1.00 7.25 O ATOM 1130 CG2 THR A 117 9.392 4.089 42.502 1.00 7.91 C ATOM 1131 HG1 THR A 117 8.994 5.909 45.163 1.00 0.00 H ATOM 1132 H THR A 117 6.368 3.612 42.975 1.00 0.00 H ATOM 1133 N SER A 118 8.292 7.304 41.863 1.00 6.87 N ATOM 1134 CA SER A 118 8.648 8.100 40.662 1.00 7.41 C ATOM 1135 C SER A 118 9.527 7.276 39.720 1.00 6.53 C ATOM 1136 O SER A 118 10.443 6.592 40.183 1.00 7.85 O ATOM 1137 CB SER A 118 9.364 9.343 41.070 1.00 9.01 C ATOM 1138 OG SER A 118 8.574 10.067 41.989 1.00 11.11 O ATOM 1139 HG SER A 118 8.404 9.508 42.788 1.00 0.00 H ATOM 1140 H SER A 118 8.626 7.624 42.794 1.00 0.00 H ATOM 1141 N LEU A 119 9.285 7.385 38.441 1.00 8.62 N ATOM 1142 CA LEU A 119 10.069 6.655 37.474 1.00 8.96 C ATOM 1143 C LEU A 119 11.603 6.831 37.612 1.00 8.22 C ATOM 1144 O LEU A 119 12.316 5.837 37.510 1.00 8.94 O ATOM 1145 CB LEU A 119 9.631 6.984 36.029 1.00 9.96 C ATOM 1146 CG LEU A 119 10.313 6.189 34.901 1.00 12.31 C ATOM 1147 CD1 LEU A 119 10.068 4.701 35.037 1.00 15.90 C ATOM 1148 CD2 LEU A 119 9.760 6.670 33.575 1.00 14.92 C ATOM 1149 H LEU A 119 8.517 8.006 38.115 1.00 0.00 H ATOM 1150 N PRO A 120 12.100 8.066 37.846 1.00 8.60 N ATOM 1151 CA PRO A 120 13.579 8.196 37.979 1.00 8.26 C ATOM 1152 C PRO A 120 14.139 7.299 39.089 1.00 8.42 C ATOM 1153 O PRO A 120 15.356 6.922 39.094 1.00 9.59 O ATOM 1154 CB PRO A 120 13.810 9.671 38.255 1.00 9.66 C ATOM 1155 CG PRO A 120 12.610 10.309 37.674 1.00 11.18 C ATOM 1156 CD PRO A 120 11.456 9.380 37.834 1.00 9.37 C ATOM 1157 N ASN A 121 13.359 7.017 40.128 1.00 7.86 N ATOM 1158 CA ASN A 121 13.845 6.137 41.187 1.00 7.87 C ATOM 1159 C ASN A 121 14.053 4.715 40.742 1.00 8.28 C ATOM 1160 O ASN A 121 14.946 4.028 41.196 1.00 8.87 O ATOM 1161 CB ASN A 121 12.868 6.137 42.364 1.00 8.05 C ATOM 1162 CG ASN A 121 12.598 7.516 42.970 1.00 7.98 C ATOM 1163 OD1 ASN A 121 13.371 8.447 42.796 1.00 9.94 O ATOM 1164 ND2 ASN A 121 11.487 7.591 43.695 1.00 9.96 N ATOM 1165 HD22 ASN A 121 10.876 6.756 43.799 1.00 0.00 H ATOM 1166 HD21 ASN A 121 11.228 8.485 44.159 1.00 0.00 H ATOM 1167 H ASN A 121 12.403 7.423 40.186 1.00 0.00 H ATOM 1168 N VAL A 122 13.157 4.239 39.889 1.00 7.68 N ATOM 1169 CA VAL A 122 13.281 2.911 39.262 1.00 7.75 C ATOM 1170 C VAL A 122 14.545 2.857 38.434 1.00 7.92 C ATOM 1171 O VAL A 122 15.289 1.879 38.533 1.00 8.78 O ATOM 1172 CB VAL A 122 12.022 2.566 38.479 1.00 8.56 C ATOM 1173 CG1 VAL A 122 12.149 1.183 37.903 1.00 10.75 C ATOM 1174 CG2 VAL A 122 10.714 2.755 39.260 1.00 8.46 C ATOM 1175 H VAL A 122 12.332 4.827 39.652 1.00 0.00 H ATOM 1176 N GLU A 123 14.745 3.889 37.617 1.00 7.97 N ATOM 1177 CA GLU A 123 15.948 3.910 36.822 1.00 8.71 C ATOM 1178 C GLU A 123 17.190 3.919 37.673 1.00 8.83 C ATOM 1179 O GLU A 123 18.150 3.180 37.405 1.00 9.75 O ATOM 1180 CB GLU A 123 15.868 5.147 35.929 1.00 9.11 C ATOM 1181 CG GLU A 123 14.984 5.027 34.739 1.00 13.20 C ATOM 1182 CD GLU A 123 15.445 4.007 33.667 1.00 12.77 C ATOM 1183 OE1 GLU A 123 16.525 3.463 33.720 1.00 13.30 O ATOM 1184 OE2 GLU A 123 14.600 3.746 32.794 1.00 21.79 O ATOM 1185 H GLU A 123 14.051 4.661 37.554 1.00 0.00 H ATOM 1186 N ALA A 124 17.196 4.744 38.716 1.00 8.02 N ATOM 1187 CA ALA A 124 18.341 4.828 39.572 1.00 8.03 C ATOM 1188 C ALA A 124 18.650 3.496 40.263 1.00 8.64 C ATOM 1189 O ALA A 124 19.832 3.047 40.377 1.00 9.18 O ATOM 1190 CB ALA A 124 18.205 5.954 40.601 1.00 8.96 C ATOM 1191 H ALA A 124 16.362 5.333 38.912 1.00 0.00 H ATOM 1192 N LEU A 125 17.622 2.835 40.759 1.00 8.50 N ATOM 1193 CA LEU A 125 17.812 1.591 41.477 1.00 8.35 C ATOM 1194 C LEU A 125 18.329 0.509 40.494 1.00 8.81 C ATOM 1195 O LEU A 125 19.220 -0.241 40.814 1.00 9.06 O ATOM 1196 CB LEU A 125 16.498 1.157 42.095 1.00 8.75 C ATOM 1197 CG LEU A 125 16.540 -0.199 42.814 1.00 8.70 C ATOM 1198 CD1 LEU A 125 15.403 -0.262 43.779 1.00 15.67 C ATOM 1199 CD2 LEU A 125 16.330 -1.365 41.903 1.00 15.36 C ATOM 1200 H LEU A 125 16.661 3.212 40.633 1.00 0.00 H ATOM 1201 N CYS A 126 17.801 0.457 39.260 1.00 8.64 N ATOM 1202 CA CYS A 126 18.252 -0.515 38.303 1.00 9.36 C ATOM 1203 C CYS A 126 19.706 -0.265 37.904 1.00 9.32 C ATOM 1204 O CYS A 126 20.450 -1.222 37.796 1.00 10.10 O ATOM 1205 CB CYS A 126 17.328 -0.592 37.108 1.00 10.64 C ATOM 1206 SG CYS A 126 15.720 -1.338 37.468 1.00 11.32 S ATOM 1207 H CYS A 126 17.055 1.130 38.993 1.00 0.00 H ATOM 1208 N ARG A 127 20.075 0.973 37.628 1.00 9.18 N ATOM 1209 CA ARG A 127 21.409 1.280 37.218 1.00 9.93 C ATOM 1210 C ARG A 127 22.353 0.902 38.362 1.00 9.88 C ATOM 1211 O ARG A 127 23.418 0.337 38.150 1.00 11.73 O ATOM 1212 CB ARG A 127 21.497 2.717 36.787 1.00 12.05 C ATOM 1213 CG ARG A 127 20.824 2.922 35.422 1.00 14.83 C ATOM 1214 CD ARG A 127 20.395 4.330 35.149 1.00 19.91 C ATOM 1215 NE ARG A 127 19.367 4.455 34.008 1.00 20.31 N ATOM 1216 CZ ARG A 127 19.722 4.569 32.719 1.00 21.25 C ATOM 1217 NH1 ARG A 127 21.037 4.662 32.366 1.00 24.69 N ATOM 1218 NH2 ARG A 127 18.762 4.690 31.812 1.00 27.05 N ATOM 1219 HE ARG A 127 18.355 4.451 34.247 1.00 0.00 H ATOM 1220 HH12 ARG A 127 21.301 4.750 31.364 1.00 0.00 H ATOM 1221 HH11 ARG A 127 21.775 4.645 33.099 1.00 0.00 H ATOM 1222 HH22 ARG A 127 19.006 4.780 30.805 1.00 0.00 H ATOM 1223 HH21 ARG A 127 17.765 4.695 32.108 1.00 0.00 H ATOM 1224 H ARG A 127 19.379 1.741 37.711 1.00 0.00 H ATOM 1225 N ALA A 128 22.006 1.232 39.607 1.00 9.61 N ATOM 1226 CA ALA A 128 22.866 0.955 40.721 1.00 10.96 C ATOM 1227 C ALA A 128 23.042 -0.550 40.979 1.00 10.77 C ATOM 1228 O ALA A 128 24.118 -1.080 41.211 1.00 12.41 O ATOM 1229 CB ALA A 128 22.370 1.654 41.996 1.00 12.52 C ATOM 1230 H ALA A 128 21.092 1.700 39.773 1.00 0.00 H ATOM 1231 N CYS A 129 21.891 -1.253 41.020 1.00 10.23 N ATOM 1232 CA CYS A 129 21.858 -2.620 41.521 1.00 11.55 C ATOM 1233 C CYS A 129 21.991 -3.643 40.454 1.00 11.74 C ATOM 1234 O CYS A 129 22.496 -4.743 40.732 1.00 13.17 O ATOM 1235 CB CYS A 129 20.559 -2.850 42.263 1.00 12.47 C ATOM 1236 SG CYS A 129 20.350 -1.912 43.754 1.00 18.44 S ATOM 1237 H CYS A 129 21.011 -0.810 40.687 1.00 0.00 H ATOM 1238 N PHE A 130 21.578 -3.368 39.219 1.00 12.23 N ATOM 1239 CA PHE A 130 21.717 -4.296 38.118 1.00 13.60 C ATOM 1240 C PHE A 130 22.816 -3.905 37.112 1.00 14.83 C ATOM 1241 O PHE A 130 23.215 -4.722 36.315 1.00 18.43 O ATOM 1242 CB PHE A 130 20.395 -4.535 37.367 1.00 15.02 C ATOM 1243 CG PHE A 130 19.280 -5.143 38.197 1.00 13.97 C ATOM 1244 CD1 PHE A 130 19.134 -6.514 38.371 1.00 16.08 C ATOM 1245 CD2 PHE A 130 18.356 -4.307 38.808 1.00 15.35 C ATOM 1246 CE1 PHE A 130 18.094 -7.018 39.148 1.00 15.04 C ATOM 1247 CE2 PHE A 130 17.320 -4.810 39.569 1.00 14.98 C ATOM 1248 CZ PHE A 130 17.168 -6.164 39.708 1.00 15.66 C ATOM 1249 H PHE A 130 21.135 -2.445 39.037 1.00 0.00 H ATOM 1250 N GLY A 131 23.213 -2.617 37.089 1.00 13.93 N ATOM 1251 CA GLY A 131 24.182 -2.066 36.155 1.00 14.58 C ATOM 1252 C GLY A 131 23.669 -1.817 34.805 1.00 13.19 C ATOM 1253 O GLY A 131 24.424 -1.609 33.885 1.00 13.81 O ATOM 1254 H GLY A 131 22.796 -1.971 37.789 1.00 0.00 H ATOM 1255 N HIS A 132 22.320 -1.683 34.670 1.00 11.68 N ATOM 1256 CA HIS A 132 21.729 -1.349 33.407 1.00 12.07 C ATOM 1257 C HIS A 132 20.469 -0.502 33.588 1.00 10.76 C ATOM 1258 O HIS A 132 19.843 -0.509 34.635 1.00 11.56 O ATOM 1259 CB HIS A 132 21.276 -2.605 32.670 1.00 12.87 C ATOM 1260 CG HIS A 132 22.357 -3.604 32.499 1.00 15.10 C ATOM 1261 ND1 HIS A 132 23.425 -3.424 31.629 1.00 18.77 N ATOM 1262 CD2 HIS A 132 22.536 -4.805 33.067 1.00 17.64 C ATOM 1263 CE1 HIS A 132 24.202 -4.484 31.677 1.00 18.63 C ATOM 1264 NE2 HIS A 132 23.715 -5.312 32.579 1.00 19.15 N ATOM 1265 H HIS A 132 21.708 -1.826 35.498 1.00 0.00 H ATOM 1266 N PRO A 133 20.081 0.209 32.510 1.00 12.04 N ATOM 1267 CA PRO A 133 18.788 0.877 32.488 1.00 13.10 C ATOM 1268 C PRO A 133 17.662 -0.044 32.813 1.00 11.29 C ATOM 1269 O PRO A 133 17.688 -1.225 32.511 1.00 11.97 O ATOM 1270 CB PRO A 133 18.686 1.335 31.043 1.00 15.43 C ATOM 1271 CG PRO A 133 20.114 1.453 30.555 1.00 17.54 C ATOM 1272 CD PRO A 133 20.870 0.376 31.261 1.00 14.51 C ATOM 1273 N ALA A 134 16.649 0.532 33.443 1.00 11.41 N ATOM 1274 CA ALA A 134 15.528 -0.252 33.881 1.00 11.65 C ATOM 1275 C ALA A 134 14.823 -1.025 32.781 1.00 11.39 C ATOM 1276 O ALA A 134 14.424 -2.168 33.023 1.00 12.24 O ATOM 1277 CB ALA A 134 14.511 0.606 34.604 1.00 13.53 C ATOM 1278 H ALA A 134 16.665 1.556 33.621 1.00 0.00 H ATOM 1279 N ARG A 135 14.740 -0.468 31.569 1.00 13.14 N ATOM 1280 CA ARG A 135 14.065 -1.184 30.503 1.00 15.76 C ATOM 1281 C ARG A 135 14.858 -2.368 29.985 1.00 15.58 C ATOM 1282 O ARG A 135 14.325 -3.183 29.234 1.00 17.85 O ATOM 1283 CB ARG A 135 13.708 -0.184 29.388 1.00 17.51 C ATOM 1284 H ARG A 135 15.155 0.469 31.392 1.00 0.00 H ATOM 1285 N GLU A 136 16.156 -2.496 30.361 1.00 14.14 N ATOM 1286 CA GLU A 136 16.939 -3.712 30.100 1.00 12.95 C ATOM 1287 C GLU A 136 16.681 -4.842 31.100 1.00 14.42 C ATOM 1288 O GLU A 136 16.994 -6.009 30.849 1.00 17.87 O ATOM 1289 CB GLU A 136 18.463 -3.441 30.018 1.00 15.36 C ATOM 1290 CG GLU A 136 18.758 -2.592 28.801 1.00 19.41 C ATOM 1291 CD GLU A 136 20.222 -2.200 28.669 1.00 21.61 C ATOM 1292 OE1 GLU A 136 21.061 -2.877 29.282 1.00 23.98 O ATOM 1293 OE2 GLU A 136 20.463 -1.180 27.995 1.00 29.25 O ATOM 1294 H GLU A 136 16.614 -1.703 30.853 1.00 0.00 H ATOM 1295 N ILE A 137 16.093 -4.505 32.230 1.00 12.40 N ATOM 1296 CA ILE A 137 15.785 -5.477 33.278 1.00 11.43 C ATOM 1297 C ILE A 137 14.327 -5.912 33.182 1.00 10.65 C ATOM 1298 O ILE A 137 14.032 -7.098 33.246 1.00 13.57 O ATOM 1299 CB ILE A 137 16.087 -4.919 34.677 1.00 12.35 C ATOM 1300 CG1 ILE A 137 17.519 -4.333 34.739 1.00 13.52 C ATOM 1301 CG2 ILE A 137 15.862 -5.996 35.733 1.00 15.08 C ATOM 1302 CD1 ILE A 137 18.616 -5.317 34.386 1.00 16.40 C ATOM 1303 H ILE A 137 15.838 -3.508 32.382 1.00 0.00 H ATOM 1304 N PHE A 138 13.415 -4.931 33.104 1.00 10.28 N ATOM 1305 CA PHE A 138 11.995 -5.173 33.146 1.00 9.12 C ATOM 1306 C PHE A 138 11.402 -4.933 31.757 1.00 9.90 C ATOM 1307 O PHE A 138 11.644 -3.911 31.132 1.00 12.08 O ATOM 1308 CB PHE A 138 11.390 -4.228 34.187 1.00 10.33 C ATOM 1309 CG PHE A 138 11.795 -4.586 35.583 1.00 9.75 C ATOM 1310 CD1 PHE A 138 11.339 -5.703 36.257 1.00 10.28 C ATOM 1311 CD2 PHE A 138 12.797 -3.812 36.202 1.00 9.96 C ATOM 1312 CE1 PHE A 138 11.818 -6.028 37.517 1.00 10.62 C ATOM 1313 CE2 PHE A 138 13.298 -4.180 37.452 1.00 8.47 C ATOM 1314 CZ PHE A 138 12.813 -5.280 38.087 1.00 10.75 C ATOM 1315 H PHE A 138 13.748 -3.950 33.009 1.00 0.00 H ATOM 1316 N ASP A 139 10.502 -5.859 31.361 1.00 9.98 N ATOM 1317 CA ASP A 139 9.784 -5.736 30.124 1.00 9.31 C ATOM 1318 C ASP A 139 8.725 -4.648 30.136 1.00 8.92 C ATOM 1319 O ASP A 139 8.495 -4.056 29.092 1.00 10.82 O ATOM 1320 CB ASP A 139 9.155 -7.098 29.773 1.00 10.82 C ATOM 1321 CG ASP A 139 10.203 -8.210 29.696 1.00 14.60 C ATOM 1322 OD1 ASP A 139 11.027 -8.164 28.760 1.00 24.39 O ATOM 1323 OD2 ASP A 139 10.260 -8.994 30.622 1.00 15.16 O ATOM 1324 H ASP A 139 10.324 -6.684 31.969 1.00 0.00 H ATOM 1325 N VAL A 140 8.191 -4.381 31.309 1.00 8.72 N ATOM 1326 CA VAL A 140 7.124 -3.421 31.486 1.00 8.75 C ATOM 1327 C VAL A 140 7.398 -2.664 32.748 1.00 7.31 C ATOM 1328 O VAL A 140 7.740 -3.277 33.771 1.00 8.78 O ATOM 1329 CB VAL A 140 5.764 -4.083 31.586 1.00 9.75 C ATOM 1330 CG1 VAL A 140 4.660 -3.181 32.136 1.00 10.17 C ATOM 1331 CG2 VAL A 140 5.377 -4.717 30.235 1.00 10.19 C ATOM 1332 H VAL A 140 8.552 -4.882 32.145 1.00 0.00 H ATOM 1333 N ILE A 141 7.268 -1.328 32.703 1.00 8.68 N ATOM 1334 CA ILE A 141 7.481 -0.475 33.869 1.00 7.85 C ATOM 1335 C ILE A 141 6.250 0.396 34.068 1.00 7.37 C ATOM 1336 O ILE A 141 5.978 1.289 33.288 1.00 10.08 O ATOM 1337 CB ILE A 141 8.722 0.366 33.766 1.00 9.34 C ATOM 1338 CG1 ILE A 141 9.981 -0.508 33.565 1.00 11.73 C ATOM 1339 CG2 ILE A 141 8.834 1.281 35.003 1.00 10.62 C ATOM 1340 CD1 ILE A 141 11.256 0.154 33.239 1.00 18.83 C ATOM 1341 H ILE A 141 7.005 -0.883 31.801 1.00 0.00 H ATOM 1342 N ALA A 142 5.507 0.109 35.142 1.00 7.76 N ATOM 1343 CA ALA A 142 4.326 0.866 35.518 1.00 6.89 C ATOM 1344 C ALA A 142 4.688 1.558 36.847 1.00 6.58 C ATOM 1345 O ALA A 142 4.879 0.906 37.880 1.00 7.64 O ATOM 1346 CB ALA A 142 3.174 -0.070 35.660 1.00 7.53 C ATOM 1347 H ALA A 142 5.789 -0.696 35.737 1.00 0.00 H ATOM 1348 N ALA A 143 4.779 2.887 36.811 1.00 6.75 N ATOM 1349 CA ALA A 143 5.325 3.680 37.913 1.00 6.32 C ATOM 1350 C ALA A 143 4.575 4.979 38.066 1.00 7.23 C ATOM 1351 O ALA A 143 3.989 5.535 37.127 1.00 8.57 O ATOM 1352 CB ALA A 143 6.815 3.915 37.746 1.00 8.32 C ATOM 1353 H ALA A 143 4.446 3.384 35.960 1.00 0.00 H ATOM 1354 N GLY A 144 4.690 5.541 39.259 1.00 8.06 N ATOM 1355 CA GLY A 144 4.423 6.927 39.454 1.00 8.12 C ATOM 1356 C GLY A 144 3.058 7.363 39.044 1.00 6.51 C ATOM 1357 O GLY A 144 2.050 6.799 39.419 1.00 9.89 O ATOM 1358 H GLY A 144 4.981 4.959 40.070 1.00 0.00 H ATOM 1359 N ASP A 145 2.993 8.438 38.290 1.00 7.65 N ATOM 1360 CA ASP A 145 1.770 9.091 37.898 1.00 8.16 C ATOM 1361 C ASP A 145 1.192 8.504 36.623 1.00 7.31 C ATOM 1362 O ASP A 145 0.386 9.141 35.937 1.00 8.15 O ATOM 1363 CB ASP A 145 1.972 10.612 37.829 1.00 9.33 C ATOM 1364 CG ASP A 145 2.279 11.257 39.137 1.00 10.34 C ATOM 1365 OD1 ASP A 145 2.424 10.600 40.183 1.00 11.37 O ATOM 1366 OD2 ASP A 145 2.466 12.468 39.092 1.00 16.06 O ATOM 1367 H ASP A 145 3.888 8.846 37.952 1.00 0.00 H ATOM 1368 N MET A 146 1.643 7.314 36.225 1.00 8.55 N ATOM 1369 CA MET A 146 1.040 6.631 35.069 1.00 8.13 C ATOM 1370 C MET A 146 -0.425 6.278 35.236 1.00 8.87 C ATOM 1371 O MET A 146 -1.063 5.975 34.276 1.00 8.83 O ATOM 1372 CB MET A 146 1.915 5.442 34.664 1.00 7.64 C ATOM 1373 CG MET A 146 3.236 5.793 34.097 1.00 9.30 C ATOM 1374 SD MET A 146 4.185 4.296 33.709 1.00 10.59 S ATOM 1375 CE MET A 146 5.842 4.854 33.617 1.00 21.09 C ATOM 1376 H MET A 146 2.429 6.864 36.737 1.00 0.00 H ATOM 1377 N VAL A 147 -0.858 6.233 36.498 1.00 8.03 N ATOM 1378 CA VAL A 147 -2.281 6.095 36.822 1.00 8.29 C ATOM 1379 C VAL A 147 -2.659 7.228 37.741 1.00 8.79 C ATOM 1380 O VAL A 147 -1.831 7.848 38.388 1.00 10.44 O ATOM 1381 CB VAL A 147 -2.562 4.710 37.453 1.00 9.43 C ATOM 1382 CG1 VAL A 147 -2.295 3.586 36.454 1.00 9.78 C ATOM 1383 CG2 VAL A 147 -1.815 4.520 38.738 1.00 10.93 C ATOM 1384 H VAL A 147 -0.167 6.298 37.272 1.00 0.00 H ATOM 1385 N ALA A 148 -3.955 7.510 37.792 1.00 8.86 N ATOM 1386 CA ALA A 148 -4.550 8.602 38.588 1.00 9.79 C ATOM 1387 C ALA A 148 -4.665 8.255 40.069 1.00 9.75 C ATOM 1388 O ALA A 148 -4.637 9.133 40.917 1.00 12.65 O ATOM 1389 CB ALA A 148 -5.893 8.970 38.099 1.00 12.87 C ATOM 1390 H ALA A 148 -4.599 6.918 37.230 1.00 0.00 H ATOM 1391 N GLU A 149 -4.755 6.977 40.368 1.00 8.99 N ATOM 1392 CA GLU A 149 -4.990 6.489 41.763 1.00 8.70 C ATOM 1393 C GLU A 149 -3.960 5.468 42.101 1.00 7.15 C ATOM 1394 O GLU A 149 -3.847 4.463 41.423 1.00 8.28 O ATOM 1395 CB GLU A 149 -6.395 5.927 41.882 1.00 9.76 C ATOM 1396 CG GLU A 149 -7.495 6.825 41.387 1.00 11.98 C ATOM 1397 CD GLU A 149 -7.768 7.976 42.280 1.00 14.74 C ATOM 1398 OE1 GLU A 149 -7.371 7.998 43.408 1.00 15.54 O ATOM 1399 OE2 GLU A 149 -8.560 8.862 41.809 1.00 19.11 O ATOM 1400 H GLU A 149 -4.659 6.278 39.604 1.00 0.00 H ATOM 1401 N LYS A 150 -3.190 5.751 43.141 1.00 7.50 N ATOM 1402 CA LYS A 150 -2.130 4.908 43.585 1.00 7.16 C ATOM 1403 C LYS A 150 -2.564 3.806 44.539 1.00 7.62 C ATOM 1404 O LYS A 150 -3.689 3.782 45.010 1.00 7.89 O ATOM 1405 CB LYS A 150 -0.970 5.746 44.181 1.00 7.01 C ATOM 1406 CG LYS A 150 -0.274 6.630 43.181 1.00 7.56 C ATOM 1407 CD LYS A 150 0.840 7.439 43.752 1.00 7.45 C ATOM 1408 CE LYS A 150 1.700 8.185 42.772 1.00 8.38 C ATOM 1409 NZ LYS A 150 0.988 9.296 42.121 1.00 7.71 N ATOM 1410 HZ1 LYS A 150 0.166 8.924 41.605 1.00 0.00 H ATOM 1411 HZ2 LYS A 150 0.668 9.972 42.844 1.00 0.00 H ATOM 1412 HZ3 LYS A 150 1.629 9.775 41.456 1.00 0.00 H ATOM 1413 H LYS A 150 -3.368 6.634 43.661 1.00 0.00 H ATOM 1414 N LYS A 151 -1.721 2.836 44.746 1.00 7.44 N ATOM 1415 CA LYS A 151 -1.996 1.761 45.694 1.00 6.64 C ATOM 1416 C LYS A 151 -2.539 2.355 46.978 1.00 7.04 C ATOM 1417 O LYS A 151 -1.980 3.321 47.479 1.00 7.86 O ATOM 1418 CB LYS A 151 -0.730 0.935 45.940 1.00 7.29 C ATOM 1419 CG LYS A 151 -0.081 0.326 44.689 1.00 7.14 C ATOM 1420 CD LYS A 151 1.115 -0.547 45.042 1.00 8.07 C ATOM 1421 CE LYS A 151 2.063 -0.848 43.878 1.00 7.24 C ATOM 1422 NZ LYS A 151 3.303 -1.490 44.321 1.00 7.40 N ATOM 1423 HZ1 LYS A 151 3.798 -0.862 44.986 1.00 0.00 H ATOM 1424 HZ2 LYS A 151 3.077 -2.389 44.793 1.00 0.00 H ATOM 1425 HZ3 LYS A 151 3.911 -1.673 43.497 1.00 0.00 H ATOM 1426 H LYS A 151 -0.824 2.827 44.220 1.00 0.00 H ATOM 1427 N PRO A 152 -3.652 1.779 47.517 1.00 7.54 N ATOM 1428 CA PRO A 152 -4.203 0.428 47.277 1.00 7.85 C ATOM 1429 C PRO A 152 -5.101 0.300 46.054 1.00 8.16 C ATOM 1430 O PRO A 152 -5.620 -0.771 45.799 1.00 9.21 O ATOM 1431 CB PRO A 152 -5.035 0.217 48.531 1.00 8.67 C ATOM 1432 CG PRO A 152 -5.453 1.602 48.936 1.00 8.11 C ATOM 1433 CD PRO A 152 -4.254 2.461 48.700 1.00 7.79 C ATOM 1434 N SER A 153 -5.286 1.370 45.277 1.00 7.29 N ATOM 1435 CA SER A 153 -5.980 1.158 43.981 1.00 7.83 C ATOM 1436 C SER A 153 -5.223 0.100 43.175 1.00 7.12 C ATOM 1437 O SER A 153 -3.992 0.200 43.070 1.00 7.71 O ATOM 1438 CB SER A 153 -6.048 2.439 43.132 1.00 8.83 C ATOM 1439 OG SER A 153 -6.519 2.126 41.859 1.00 8.73 O ATOM 1440 HG SER A 153 -6.563 2.950 41.313 1.00 0.00 H ATOM 1441 H SER A 153 -4.958 2.313 45.567 1.00 0.00 H ATOM 1442 N PRO A 154 -5.944 -0.824 42.535 1.00 7.82 N ATOM 1443 CA PRO A 154 -5.265 -1.788 41.643 1.00 7.35 C ATOM 1444 C PRO A 154 -4.778 -1.211 40.324 1.00 7.03 C ATOM 1445 O PRO A 154 -4.194 -1.958 39.574 1.00 7.46 O ATOM 1446 CB PRO A 154 -6.287 -2.938 41.427 1.00 8.73 C ATOM 1447 CG PRO A 154 -7.309 -2.721 42.550 1.00 12.24 C ATOM 1448 CD PRO A 154 -7.345 -1.225 42.774 1.00 9.51 C ATOM 1449 N ASP A 155 -5.041 0.050 40.048 1.00 7.33 N ATOM 1450 CA ASP A 155 -4.847 0.548 38.707 1.00 7.60 C ATOM 1451 C ASP A 155 -3.426 0.334 38.178 1.00 7.26 C ATOM 1452 O ASP A 155 -3.252 0.034 37.002 1.00 7.19 O ATOM 1453 CB ASP A 155 -5.294 1.984 38.599 1.00 9.42 C ATOM 1454 CG ASP A 155 -6.886 2.093 38.587 1.00 11.05 C ATOM 1455 OD1 ASP A 155 -7.498 1.060 38.306 1.00 16.42 O ATOM 1456 OD2 ASP A 155 -7.362 3.141 38.626 1.00 19.36 O ATOM 1457 H ASP A 155 -5.388 0.685 40.795 1.00 0.00 H ATOM 1458 N ILE A 156 -2.379 0.500 38.984 1.00 6.34 N ATOM 1459 CA ILE A 156 -1.022 0.348 38.487 1.00 6.15 C ATOM 1460 C ILE A 156 -0.777 -1.065 38.057 1.00 6.60 C ATOM 1461 O ILE A 156 -0.063 -1.311 37.089 1.00 7.58 O ATOM 1462 CB ILE A 156 0.014 0.836 39.517 1.00 7.64 C ATOM 1463 CG1 ILE A 156 1.393 1.152 38.843 1.00 8.49 C ATOM 1464 CG2 ILE A 156 0.132 -0.079 40.708 1.00 7.79 C ATOM 1465 CD1 ILE A 156 1.339 2.275 37.861 1.00 10.18 C ATOM 1466 H ILE A 156 -2.535 0.742 39.983 1.00 0.00 H ATOM 1467 N TYR A 157 -1.305 -2.048 38.806 1.00 6.73 N ATOM 1468 CA TYR A 157 -1.236 -3.428 38.390 1.00 6.77 C ATOM 1469 C TYR A 157 -2.036 -3.752 37.169 1.00 6.68 C ATOM 1470 O TYR A 157 -1.593 -4.539 36.288 1.00 7.84 O ATOM 1471 CB TYR A 157 -1.605 -4.331 39.527 1.00 8.14 C ATOM 1472 CG TYR A 157 -0.522 -4.583 40.581 1.00 7.53 C ATOM 1473 CD1 TYR A 157 0.523 -5.398 40.311 1.00 8.29 C ATOM 1474 CD2 TYR A 157 -0.567 -3.991 41.806 1.00 7.94 C ATOM 1475 CE1 TYR A 157 1.511 -5.687 41.204 1.00 8.11 C ATOM 1476 CE2 TYR A 157 0.406 -4.250 42.759 1.00 7.58 C ATOM 1477 CZ TYR A 157 1.488 -5.086 42.452 1.00 7.94 C ATOM 1478 OH TYR A 157 2.508 -5.386 43.310 1.00 8.65 O ATOM 1479 HH TYR A 157 2.973 -4.552 43.573 1.00 0.00 H ATOM 1480 H TYR A 157 -1.773 -1.809 39.704 1.00 0.00 H ATOM 1481 N ARG A 158 -3.225 -3.155 37.017 1.00 6.75 N ATOM 1482 CA ARG A 158 -4.020 -3.346 35.791 1.00 6.56 C ATOM 1483 C ARG A 158 -3.283 -2.811 34.551 1.00 6.77 C ATOM 1484 O ARG A 158 -3.305 -3.411 33.493 1.00 7.76 O ATOM 1485 CB ARG A 158 -5.420 -2.691 35.917 1.00 7.66 C ATOM 1486 CG ARG A 158 -6.264 -3.290 37.016 1.00 8.93 C ATOM 1487 CD ARG A 158 -7.557 -2.496 37.174 1.00 11.31 C ATOM 1488 NE ARG A 158 -8.389 -3.142 38.117 1.00 13.53 N ATOM 1489 CZ ARG A 158 -9.184 -2.519 38.978 1.00 12.87 C ATOM 1490 NH1 ARG A 158 -9.188 -1.199 39.137 1.00 13.28 N ATOM 1491 NH2 ARG A 158 -10.005 -3.251 39.702 1.00 12.47 N ATOM 1492 HE ARG A 158 -8.377 -4.182 38.138 1.00 0.00 H ATOM 1493 HH12 ARG A 158 -9.831 -0.760 39.826 1.00 0.00 H ATOM 1494 HH11 ARG A 158 -8.548 -0.605 38.572 1.00 0.00 H ATOM 1495 HH22 ARG A 158 -10.642 -2.795 40.386 1.00 0.00 H ATOM 1496 HH21 ARG A 158 -10.017 -4.285 39.589 1.00 0.00 H ATOM 1497 H ARG A 158 -3.593 -2.547 37.776 1.00 0.00 H ATOM 1498 N LEU A 159 -2.601 -1.671 34.739 1.00 8.52 N ATOM 1499 CA LEU A 159 -1.764 -1.113 33.651 1.00 8.94 C ATOM 1500 C LEU A 159 -0.681 -2.100 33.255 1.00 7.59 C ATOM 1501 O LEU A 159 -0.505 -2.466 32.090 1.00 8.18 O ATOM 1502 CB LEU A 159 -1.223 0.226 34.081 1.00 8.73 C ATOM 1503 CG LEU A 159 -0.097 0.799 33.202 1.00 11.14 C ATOM 1504 CD1 LEU A 159 -0.500 1.064 31.782 1.00 15.00 C ATOM 1505 CD2 LEU A 159 0.486 2.045 33.815 1.00 12.11 C ATOM 1506 H LEU A 159 -2.660 -1.177 35.652 1.00 0.00 H ATOM 1507 N ALA A 160 0.043 -2.560 34.248 1.00 7.82 N ATOM 1508 CA ALA A 160 1.161 -3.467 34.007 1.00 8.27 C ATOM 1509 C ALA A 160 0.659 -4.747 33.305 1.00 7.87 C ATOM 1510 O ALA A 160 1.290 -5.203 32.340 1.00 8.27 O ATOM 1511 CB ALA A 160 1.904 -3.792 35.280 1.00 8.95 C ATOM 1512 H ALA A 160 -0.183 -2.274 35.222 1.00 0.00 H ATOM 1513 N LEU A 161 -0.462 -5.340 33.769 1.00 7.81 N ATOM 1514 CA LEU A 161 -0.990 -6.538 33.163 1.00 8.77 C ATOM 1515 C LEU A 161 -1.387 -6.315 31.717 1.00 8.16 C ATOM 1516 O LEU A 161 -1.181 -7.200 30.870 1.00 10.08 O ATOM 1517 CB LEU A 161 -2.114 -7.073 34.000 1.00 9.98 C ATOM 1518 CG LEU A 161 -1.660 -7.777 35.335 1.00 9.49 C ATOM 1519 CD1 LEU A 161 -2.854 -7.983 36.202 1.00 11.16 C ATOM 1520 CD2 LEU A 161 -0.934 -9.039 35.025 1.00 10.33 C ATOM 1521 H LEU A 161 -0.957 -4.923 34.583 1.00 0.00 H ATOM 1522 N ARG A 162 -2.022 -5.178 31.447 1.00 8.17 N ATOM 1523 CA ARG A 162 -2.412 -4.876 30.049 1.00 10.26 C ATOM 1524 C ARG A 162 -1.191 -4.817 29.145 1.00 9.73 C ATOM 1525 O ARG A 162 -1.190 -5.355 28.026 1.00 11.08 O ATOM 1526 CB ARG A 162 -3.240 -3.604 29.944 1.00 10.93 C ATOM 1527 CG ARG A 162 -3.739 -3.348 28.562 1.00 11.81 C ATOM 1528 CD ARG A 162 -4.808 -2.232 28.495 1.00 19.48 C ATOM 1529 NE ARG A 162 -4.234 -1.086 28.981 1.00 17.47 N ATOM 1530 CZ ARG A 162 -4.512 -0.400 30.087 1.00 13.47 C ATOM 1531 NH1 ARG A 162 -5.569 -0.607 30.931 1.00 15.91 N ATOM 1532 NH2 ARG A 162 -3.687 0.566 30.379 1.00 14.58 N ATOM 1533 HE ARG A 162 -3.467 -0.694 28.398 1.00 0.00 H ATOM 1534 HH12 ARG A 162 -5.689 -0.006 31.772 1.00 0.00 H ATOM 1535 HH11 ARG A 162 -6.253 -1.365 30.732 1.00 0.00 H ATOM 1536 HH22 ARG A 162 -3.843 1.144 31.229 1.00 0.00 H ATOM 1537 HH21 ARG A 162 -2.873 0.759 29.762 1.00 0.00 H ATOM 1538 H ARG A 162 -2.243 -4.507 32.210 1.00 0.00 H ATOM 1539 N GLU A 163 -0.160 -4.122 29.621 1.00 10.14 N ATOM 1540 CA GLU A 163 1.087 -4.034 28.851 1.00 10.73 C ATOM 1541 C GLU A 163 1.791 -5.377 28.688 1.00 10.40 C ATOM 1542 O GLU A 163 2.358 -5.649 27.612 1.00 14.25 O ATOM 1543 CB GLU A 163 2.021 -2.974 29.402 1.00 9.88 C ATOM 1544 CG GLU A 163 1.348 -1.600 29.325 1.00 12.47 C ATOM 1545 CD GLU A 163 2.281 -0.496 29.608 1.00 15.67 C ATOM 1546 OE1 GLU A 163 2.602 0.264 28.652 1.00 24.06 O ATOM 1547 OE2 GLU A 163 2.647 -0.361 30.757 1.00 20.67 O ATOM 1548 H GLU A 163 -0.238 -3.641 30.540 1.00 0.00 H ATOM 1549 N LEU A 164 1.821 -6.193 29.728 1.00 10.16 N ATOM 1550 CA LEU A 164 2.367 -7.556 29.641 1.00 11.49 C ATOM 1551 C LEU A 164 1.599 -8.467 28.725 1.00 12.81 C ATOM 1552 O LEU A 164 2.168 -9.462 28.212 1.00 14.85 O ATOM 1553 CB LEU A 164 2.396 -8.190 30.992 1.00 10.71 C ATOM 1554 CG LEU A 164 3.454 -7.692 31.962 1.00 11.60 C ATOM 1555 CD1 LEU A 164 3.108 -8.182 33.378 1.00 11.99 C ATOM 1556 CD2 LEU A 164 4.837 -8.142 31.566 1.00 14.47 C ATOM 1557 H LEU A 164 1.446 -5.860 30.639 1.00 0.00 H ATOM 1558 N ASP A 165 0.289 -8.197 28.589 1.00 13.21 N ATOM 1559 CA ASP A 165 -0.685 -9.088 27.936 1.00 13.18 C ATOM 1560 C ASP A 165 -0.656 -10.513 28.524 1.00 15.20 C ATOM 1561 O ASP A 165 -0.511 -11.539 27.760 1.00 17.54 O ATOM 1562 CB ASP A 165 -0.444 -9.089 26.438 1.00 16.29 C ATOM 1563 CG ASP A 165 -1.556 -9.815 25.722 1.00 22.18 C ATOM 1564 OD1 ASP A 165 -2.772 -9.601 26.076 1.00 26.74 O ATOM 1565 OD2 ASP A 165 -1.200 -10.590 24.772 1.00 23.42 O ATOM 1566 H ASP A 165 -0.061 -7.296 28.972 1.00 0.00 H ATOM 1567 N VAL A 166 -0.689 -10.580 29.824 1.00 13.39 N ATOM 1568 CA VAL A 166 -0.703 -11.845 30.544 1.00 15.10 C ATOM 1569 C VAL A 166 -1.945 -11.673 31.467 1.00 14.68 C ATOM 1570 O VAL A 166 -2.117 -10.667 32.152 1.00 15.08 O ATOM 1571 CB VAL A 166 0.579 -12.058 31.375 1.00 14.72 C ATOM 1572 CG1 VAL A 166 0.406 -13.282 32.276 1.00 18.17 C ATOM 1573 CG2 VAL A 166 1.799 -12.241 30.475 1.00 15.44 C ATOM 1574 H VAL A 166 -0.706 -9.695 30.369 1.00 0.00 H ATOM 1575 N PRO A 167 -2.809 -12.686 31.507 1.00 13.98 N ATOM 1576 CA PRO A 167 -3.972 -12.660 32.401 1.00 15.44 C ATOM 1577 C PRO A 167 -3.531 -12.763 33.836 1.00 13.57 C ATOM 1578 O PRO A 167 -2.530 -13.419 34.112 1.00 13.34 O ATOM 1579 CB PRO A 167 -4.788 -13.899 31.978 1.00 19.31 C ATOM 1580 CG PRO A 167 -3.912 -14.719 31.157 1.00 19.93 C ATOM 1581 CD PRO A 167 -2.764 -13.905 30.635 1.00 16.00 C ATOM 1582 N PRO A 168 -4.272 -12.189 34.775 1.00 13.68 N ATOM 1583 CA PRO A 168 -3.781 -12.190 36.151 1.00 13.38 C ATOM 1584 C PRO A 168 -3.599 -13.584 36.709 1.00 14.53 C ATOM 1585 O PRO A 168 -2.729 -13.829 37.524 1.00 13.01 O ATOM 1586 CB PRO A 168 -4.841 -11.374 36.930 1.00 14.85 C ATOM 1587 CG PRO A 168 -5.931 -11.171 36.036 1.00 18.90 C ATOM 1588 CD PRO A 168 -5.517 -11.456 34.629 1.00 18.35 C ATOM 1589 N GLU A 169 -4.418 -14.549 36.273 1.00 13.74 N ATOM 1590 CA GLU A 169 -4.315 -15.900 36.782 1.00 15.67 C ATOM 1591 C GLU A 169 -3.026 -16.601 36.446 1.00 15.17 C ATOM 1592 O GLU A 169 -2.714 -17.594 37.078 1.00 19.06 O ATOM 1593 CB GLU A 169 -5.495 -16.772 36.362 1.00 18.72 C ATOM 1594 CG GLU A 169 -5.705 -16.886 34.888 1.00 28.75 C ATOM 1595 CD GLU A 169 -6.669 -15.854 34.276 1.00 25.09 C ATOM 1596 OE1 GLU A 169 -6.815 -14.704 34.765 1.00 20.54 O ATOM 1597 OE2 GLU A 169 -7.294 -16.282 33.216 1.00 36.93 O ATOM 1598 H GLU A 169 -5.139 -14.325 35.558 1.00 0.00 H ATOM 1599 N ARG A 170 -2.302 -16.085 35.449 1.00 13.22 N ATOM 1600 CA ARG A 170 -1.028 -16.589 35.073 1.00 14.36 C ATOM 1601 C ARG A 170 0.155 -15.752 35.494 1.00 11.96 C ATOM 1602 O ARG A 170 1.266 -15.938 34.972 1.00 15.52 O ATOM 1603 CB ARG A 170 -1.001 -16.791 33.520 1.00 16.50 C ATOM 1604 CG ARG A 170 -2.069 -17.756 32.994 1.00 23.53 C ATOM 1605 CD ARG A 170 -1.552 -18.691 31.925 1.00 31.17 C ATOM 1606 NE ARG A 170 -2.606 -19.595 31.438 1.00 38.58 N ATOM 1607 CZ ARG A 170 -2.596 -20.179 30.243 1.00 43.18 C ATOM 1608 NH1 ARG A 170 -1.545 -19.962 29.437 1.00 51.70 N ATOM 1609 NH2 ARG A 170 -3.611 -21.026 29.865 1.00 47.26 N ATOM 1610 HE ARG A 170 -3.410 -19.790 32.068 1.00 0.00 H ATOM 1611 HH12 ARG A 170 -1.510 -20.406 28.497 1.00 0.00 H ATOM 1612 HH11 ARG A 170 -0.765 -19.350 29.752 1.00 0.00 H ATOM 1613 HH22 ARG A 170 -3.591 -21.476 28.928 1.00 0.00 H ATOM 1614 HH21 ARG A 170 -4.399 -21.217 30.516 1.00 0.00 H ATOM 1615 H ARG A 170 -2.689 -15.276 34.923 1.00 0.00 H ATOM 1616 N ALA A 171 -0.055 -14.833 36.420 1.00 12.25 N ATOM 1617 CA ALA A 171 1.001 -13.988 36.873 1.00 10.94 C ATOM 1618 C ALA A 171 1.047 -14.050 38.406 1.00 10.75 C ATOM 1619 O ALA A 171 0.230 -14.671 39.039 1.00 13.73 O ATOM 1620 CB ALA A 171 0.801 -12.597 36.351 1.00 11.18 C ATOM 1621 H ALA A 171 -1.007 -14.724 36.825 1.00 0.00 H ATOM 1622 N VAL A 172 1.971 -13.315 38.994 1.00 10.24 N ATOM 1623 CA VAL A 172 2.124 -13.202 40.459 1.00 9.14 C ATOM 1624 C VAL A 172 2.796 -11.865 40.756 1.00 9.60 C ATOM 1625 O VAL A 172 3.599 -11.419 39.939 1.00 10.18 O ATOM 1626 CB VAL A 172 2.936 -14.415 40.996 1.00 11.22 C ATOM 1627 CG1 VAL A 172 4.413 -14.383 40.516 1.00 12.46 C ATOM 1628 CG2 VAL A 172 2.856 -14.478 42.510 1.00 11.72 C ATOM 1629 H VAL A 172 2.631 -12.784 38.391 1.00 0.00 H ATOM 1630 N ALA A 173 2.488 -11.306 41.925 1.00 8.15 N ATOM 1631 CA ALA A 173 3.090 -10.093 42.387 1.00 8.78 C ATOM 1632 C ALA A 173 3.930 -10.369 43.632 1.00 7.26 C ATOM 1633 O ALA A 173 3.586 -11.223 44.472 1.00 9.11 O ATOM 1634 CB ALA A 173 2.007 -9.053 42.729 1.00 9.03 C ATOM 1635 H ALA A 173 1.780 -11.771 42.528 1.00 0.00 H ATOM 1636 N LEU A 174 5.030 -9.640 43.724 1.00 7.95 N ATOM 1637 CA LEU A 174 5.799 -9.599 44.955 1.00 7.78 C ATOM 1638 C LEU A 174 5.688 -8.211 45.593 1.00 7.08 C ATOM 1639 O LEU A 174 5.871 -7.195 44.890 1.00 8.25 O ATOM 1640 CB LEU A 174 7.282 -9.858 44.727 1.00 8.04 C ATOM 1641 CG LEU A 174 7.772 -11.300 44.514 1.00 11.91 C ATOM 1642 CD1 LEU A 174 7.047 -12.186 43.593 1.00 16.62 C ATOM 1643 CD2 LEU A 174 9.248 -11.419 44.412 1.00 13.53 C ATOM 1644 H LEU A 174 5.349 -9.088 42.902 1.00 0.00 H ATOM 1645 N GLU A 175 5.376 -8.176 46.872 1.00 7.19 N ATOM 1646 CA GLU A 175 5.086 -6.928 47.597 1.00 6.83 C ATOM 1647 C GLU A 175 5.665 -6.979 48.972 1.00 6.64 C ATOM 1648 O GLU A 175 6.012 -8.037 49.512 1.00 8.23 O ATOM 1649 CB GLU A 175 3.536 -6.793 47.702 1.00 7.67 C ATOM 1650 CG GLU A 175 2.950 -6.090 46.479 1.00 8.41 C ATOM 1651 CD GLU A 175 3.221 -4.615 46.443 1.00 7.67 C ATOM 1652 OE1 GLU A 175 3.823 -4.106 47.422 1.00 8.36 O ATOM 1653 OE2 GLU A 175 2.748 -3.944 45.491 1.00 8.13 O ATOM 1654 H GLU A 175 5.332 -9.074 47.395 1.00 0.00 H ATOM 1655 N ASP A 176 5.680 -5.824 49.623 1.00 7.40 N ATOM 1656 CA ASP A 176 6.157 -5.673 50.988 1.00 7.67 C ATOM 1657 C ASP A 176 5.154 -5.029 51.947 1.00 6.91 C ATOM 1658 O ASP A 176 5.386 -5.075 53.150 1.00 8.57 O ATOM 1659 CB ASP A 176 7.445 -4.783 51.051 1.00 7.89 C ATOM 1660 CG ASP A 176 7.104 -3.313 50.743 1.00 7.68 C ATOM 1661 OD1 ASP A 176 6.569 -3.085 49.653 1.00 8.60 O ATOM 1662 OD2 ASP A 176 7.425 -2.458 51.598 1.00 8.79 O ATOM 1663 H ASP A 176 5.331 -4.978 49.129 1.00 0.00 H ATOM 1664 N SER A 177 4.081 -4.424 51.411 1.00 7.31 N ATOM 1665 CA SER A 177 3.234 -3.563 52.214 1.00 8.07 C ATOM 1666 C SER A 177 1.753 -3.924 52.053 1.00 8.14 C ATOM 1667 O SER A 177 1.396 -4.540 51.050 1.00 8.36 O ATOM 1668 CB SER A 177 3.398 -2.075 51.829 1.00 8.40 C ATOM 1669 OG SER A 177 2.822 -1.769 50.572 1.00 8.36 O ATOM 1670 HG SER A 177 2.955 -0.808 50.375 1.00 0.00 H ATOM 1671 H SER A 177 3.855 -4.575 50.407 1.00 0.00 H ATOM 1672 N LEU A 178 0.956 -3.598 53.036 1.00 8.35 N ATOM 1673 CA LEU A 178 -0.470 -3.888 52.923 1.00 7.94 C ATOM 1674 C LEU A 178 -1.156 -3.171 51.749 1.00 8.79 C ATOM 1675 O LEU A 178 -1.945 -3.770 51.024 1.00 8.20 O ATOM 1676 CB LEU A 178 -1.169 -3.561 54.246 1.00 10.45 C ATOM 1677 CG LEU A 178 -2.666 -3.831 54.282 1.00 13.41 C ATOM 1678 CD1 LEU A 178 -2.963 -5.269 53.925 1.00 15.44 C ATOM 1679 CD2 LEU A 178 -3.185 -3.395 55.642 1.00 18.09 C ATOM 1680 H LEU A 178 1.333 -3.137 53.889 1.00 0.00 H ATOM 1681 N ASN A 179 -0.818 -1.900 51.538 1.00 8.46 N ATOM 1682 CA ASN A 179 -1.399 -1.211 50.403 1.00 7.66 C ATOM 1683 C ASN A 179 -1.058 -1.892 49.089 1.00 7.68 C ATOM 1684 O ASN A 179 -1.830 -1.957 48.155 1.00 8.19 O ATOM 1685 CB ASN A 179 -1.100 0.277 50.369 1.00 11.52 C ATOM 1686 CG ASN A 179 -2.043 1.062 51.324 1.00 12.18 C ATOM 1687 OD1 ASN A 179 -1.572 2.081 51.854 1.00 24.55 O ATOM 1688 ND2 ASN A 179 -3.212 0.588 51.578 1.00 15.54 N ATOM 1689 HD22 ASN A 179 -3.541 -0.272 51.094 1.00 0.00 H ATOM 1690 HD21 ASN A 179 -3.828 1.065 52.267 1.00 0.00 H ATOM 1691 H ASN A 179 -0.153 -1.414 52.173 1.00 0.00 H ATOM 1692 N GLY A 180 0.167 -2.432 49.031 1.00 7.42 N ATOM 1693 CA GLY A 180 0.625 -3.181 47.845 1.00 7.81 C ATOM 1694 C GLY A 180 -0.125 -4.487 47.661 1.00 7.51 C ATOM 1695 O GLY A 180 -0.586 -4.793 46.550 1.00 8.84 O ATOM 1696 H GLY A 180 0.810 -2.321 49.841 1.00 0.00 H ATOM 1697 N LEU A 181 -0.237 -5.256 48.745 1.00 7.82 N ATOM 1698 CA LEU A 181 -1.053 -6.490 48.716 1.00 9.11 C ATOM 1699 C LEU A 181 -2.473 -6.218 48.262 1.00 8.11 C ATOM 1700 O LEU A 181 -3.001 -6.927 47.387 1.00 9.03 O ATOM 1701 CB LEU A 181 -1.028 -7.111 50.111 1.00 8.78 C ATOM 1702 CG LEU A 181 -1.961 -8.314 50.336 1.00 10.36 C ATOM 1703 CD1 LEU A 181 -1.613 -9.470 49.395 1.00 10.84 C ATOM 1704 CD2 LEU A 181 -1.921 -8.755 51.752 1.00 12.23 C ATOM 1705 H LEU A 181 0.255 -4.985 49.620 1.00 0.00 H ATOM 1706 N ARG A 182 -3.100 -5.151 48.794 1.00 7.29 N ATOM 1707 CA ARG A 182 -4.465 -4.855 48.417 1.00 7.97 C ATOM 1708 C ARG A 182 -4.570 -4.533 46.926 1.00 7.42 C ATOM 1709 O ARG A 182 -5.526 -4.956 46.258 1.00 9.45 O ATOM 1710 CB ARG A 182 -4.975 -3.660 49.252 1.00 9.61 C ATOM 1711 CG ARG A 182 -5.158 -4.002 50.698 1.00 10.84 C ATOM 1712 CD ARG A 182 -5.413 -2.752 51.514 1.00 13.72 C ATOM 1713 NE ARG A 182 -6.720 -2.209 51.274 1.00 14.43 N ATOM 1714 CZ ARG A 182 -7.089 -0.978 51.597 1.00 17.25 C ATOM 1715 NH1 ARG A 182 -6.293 -0.101 52.193 1.00 17.46 N ATOM 1716 NH2 ARG A 182 -8.335 -0.654 51.412 1.00 20.00 N ATOM 1717 HE ARG A 182 -7.424 -2.822 50.816 1.00 0.00 H ATOM 1718 HH12 ARG A 182 -6.645 0.851 52.420 1.00 0.00 H ATOM 1719 HH11 ARG A 182 -5.316 -0.365 52.434 1.00 0.00 H ATOM 1720 HH22 ARG A 182 -8.665 0.302 51.653 1.00 0.00 H ATOM 1721 HH21 ARG A 182 -9.001 -1.351 51.023 1.00 0.00 H ATOM 1722 H ARG A 182 -2.604 -4.541 49.475 1.00 0.00 H ATOM 1723 N ALA A 183 -3.612 -3.734 46.438 1.00 7.85 N ATOM 1724 CA ALA A 183 -3.611 -3.365 45.019 1.00 8.53 C ATOM 1725 C ALA A 183 -3.455 -4.596 44.118 1.00 8.08 C ATOM 1726 O ALA A 183 -4.146 -4.735 43.118 1.00 8.81 O ATOM 1727 CB ALA A 183 -2.518 -2.300 44.748 1.00 8.95 C ATOM 1728 H ALA A 183 -2.867 -3.374 47.068 1.00 0.00 H ATOM 1729 N ALA A 184 -2.493 -5.475 44.477 1.00 8.05 N ATOM 1730 CA ALA A 184 -2.282 -6.689 43.704 1.00 7.91 C ATOM 1731 C ALA A 184 -3.515 -7.548 43.683 1.00 8.55 C ATOM 1732 O ALA A 184 -3.940 -8.041 42.629 1.00 10.11 O ATOM 1733 CB ALA A 184 -1.059 -7.446 44.200 1.00 8.88 C ATOM 1734 H ALA A 184 -1.901 -5.282 45.310 1.00 0.00 H ATOM 1735 N LYS A 185 -4.023 -7.854 44.855 1.00 9.39 N ATOM 1736 CA LYS A 185 -5.232 -8.681 44.954 1.00 11.13 C ATOM 1737 C LYS A 185 -6.422 -8.104 44.220 1.00 10.85 C ATOM 1738 O LYS A 185 -7.165 -8.841 43.594 1.00 11.96 O ATOM 1739 CB LYS A 185 -5.553 -8.976 46.445 1.00 11.36 C ATOM 1740 CG LYS A 185 -4.604 -9.945 47.048 1.00 14.92 C ATOM 1741 CD LYS A 185 -4.952 -11.342 46.528 1.00 19.80 C ATOM 1742 CE LYS A 185 -3.908 -12.390 46.808 1.00 22.84 C ATOM 1743 NZ LYS A 185 -4.365 -13.765 46.499 1.00 23.52 N ATOM 1744 HZ1 LYS A 185 -5.200 -13.990 47.077 1.00 0.00 H ATOM 1745 HZ2 LYS A 185 -4.613 -13.828 45.491 1.00 0.00 H ATOM 1746 HZ3 LYS A 185 -3.602 -14.439 46.713 1.00 0.00 H ATOM 1747 H LYS A 185 -3.564 -7.507 45.721 1.00 0.00 H ATOM 1748 N GLY A 186 -6.559 -6.796 44.269 1.00 10.18 N ATOM 1749 CA GLY A 186 -7.636 -6.137 43.543 1.00 11.63 C ATOM 1750 C GLY A 186 -7.504 -6.252 42.039 1.00 10.73 C ATOM 1751 O GLY A 186 -8.470 -6.038 41.297 1.00 12.66 O ATOM 1752 H GLY A 186 -5.893 -6.228 44.831 1.00 0.00 H ATOM 1753 N ALA A 187 -6.302 -6.511 41.541 1.00 10.18 N ATOM 1754 CA ALA A 187 -6.067 -6.737 40.125 1.00 9.58 C ATOM 1755 C ALA A 187 -6.201 -8.230 39.769 1.00 10.04 C ATOM 1756 O ALA A 187 -5.903 -8.643 38.655 1.00 12.95 O ATOM 1757 CB ALA A 187 -4.741 -6.180 39.688 1.00 10.14 C ATOM 1758 H ALA A 187 -5.493 -6.554 42.193 1.00 0.00 H ATOM 1759 N GLY A 188 -6.594 -9.073 40.721 1.00 10.96 N ATOM 1760 CA GLY A 188 -6.719 -10.486 40.468 1.00 11.42 C ATOM 1761 C GLY A 188 -5.471 -11.317 40.658 1.00 11.21 C ATOM 1762 O GLY A 188 -5.478 -12.477 40.231 1.00 13.94 O ATOM 1763 H GLY A 188 -6.816 -8.704 41.668 1.00 0.00 H ATOM 1764 N LEU A 189 -4.408 -10.731 41.228 1.00 10.44 N ATOM 1765 CA LEU A 189 -3.138 -11.399 41.291 1.00 10.13 C ATOM 1766 C LEU A 189 -2.930 -12.118 42.620 1.00 10.40 C ATOM 1767 O LEU A 189 -3.207 -11.570 43.692 1.00 12.42 O ATOM 1768 CB LEU A 189 -2.014 -10.379 41.153 1.00 9.90 C ATOM 1769 CG LEU A 189 -1.859 -9.765 39.799 1.00 9.30 C ATOM 1770 CD1 LEU A 189 -1.102 -8.493 39.843 1.00 10.90 C ATOM 1771 CD2 LEU A 189 -1.237 -10.776 38.854 1.00 11.92 C ATOM 1772 H LEU A 189 -4.505 -9.777 41.631 1.00 0.00 H ATOM 1773 N ARG A 190 -2.375 -13.311 42.528 1.00 10.80 N ATOM 1774 CA ARG A 190 -1.707 -13.909 43.674 1.00 11.20 C ATOM 1775 C ARG A 190 -0.526 -13.028 44.061 1.00 10.50 C ATOM 1776 O ARG A 190 0.103 -12.441 43.217 1.00 10.76 O ATOM 1777 CB ARG A 190 -1.286 -15.345 43.375 1.00 13.02 C ATOM 1778 CG ARG A 190 -2.508 -16.283 43.297 1.00 16.39 C ATOM 1779 CD ARG A 190 -2.146 -17.748 43.113 1.00 19.26 C ATOM 1780 NE ARG A 190 -1.222 -17.933 42.009 1.00 22.19 N ATOM 1781 CZ ARG A 190 0.091 -18.085 42.118 1.00 21.88 C ATOM 1782 NH1 ARG A 190 0.696 -18.104 43.306 1.00 22.51 N ATOM 1783 NH2 ARG A 190 0.833 -18.159 41.015 1.00 26.63 N ATOM 1784 HE ARG A 190 -1.624 -17.948 41.050 1.00 0.00 H ATOM 1785 HH12 ARG A 190 1.727 -18.225 43.362 1.00 0.00 H ATOM 1786 HH11 ARG A 190 0.136 -17.998 44.176 1.00 0.00 H ATOM 1787 HH22 ARG A 190 1.864 -18.278 41.089 1.00 0.00 H ATOM 1788 HH21 ARG A 190 0.382 -18.098 40.080 1.00 0.00 H ATOM 1789 H ARG A 190 -2.415 -13.829 41.627 1.00 0.00 H ATOM 1790 N CYS A 191 -0.255 -12.954 45.358 1.00 10.49 N ATOM 1791 CA CYS A 191 0.746 -12.007 45.873 1.00 9.52 C ATOM 1792 C CYS A 191 1.492 -12.673 46.990 1.00 9.42 C ATOM 1793 O CYS A 191 0.965 -13.119 47.967 1.00 13.02 O ATOM 1794 CB CYS A 191 0.010 -10.726 46.331 1.00 9.43 C ATOM 1795 SG CYS A 191 1.139 -9.446 46.908 1.00 11.04 S ATOM 1796 H CYS A 191 -0.759 -13.576 46.022 1.00 0.00 H ATOM 1797 N ILE A 192 2.819 -12.626 46.840 1.00 8.79 N ATOM 1798 CA ILE A 192 3.799 -13.071 47.820 1.00 10.67 C ATOM 1799 C ILE A 192 4.357 -11.863 48.542 1.00 9.57 C ATOM 1800 O ILE A 192 4.834 -10.959 47.862 1.00 10.27 O ATOM 1801 CB ILE A 192 4.899 -13.907 47.186 1.00 13.57 C ATOM 1802 CG1 ILE A 192 4.146 -15.219 46.617 1.00 18.41 C ATOM 1803 CG2 ILE A 192 6.026 -14.234 48.207 1.00 12.43 C ATOM 1804 CD1 ILE A 192 4.966 -16.054 45.759 1.00 22.73 C ATOM 1805 H ILE A 192 3.183 -12.238 45.946 1.00 0.00 H ATOM 1806 N VAL A 193 4.203 -11.793 49.870 1.00 8.61 N ATOM 1807 CA VAL A 193 4.657 -10.700 50.676 1.00 8.41 C ATOM 1808 C VAL A 193 5.883 -11.065 51.502 1.00 8.27 C ATOM 1809 O VAL A 193 5.909 -12.070 52.150 1.00 8.76 O ATOM 1810 CB VAL A 193 3.533 -10.167 51.561 1.00 7.85 C ATOM 1811 CG1 VAL A 193 4.012 -9.055 52.513 1.00 9.42 C ATOM 1812 CG2 VAL A 193 2.370 -9.680 50.746 1.00 10.22 C ATOM 1813 H VAL A 193 3.723 -12.583 50.347 1.00 0.00 H ATOM 1814 N SER A 194 6.849 -10.132 51.499 1.00 7.44 N ATOM 1815 CA SER A 194 7.935 -10.180 52.497 1.00 7.94 C ATOM 1816 C SER A 194 8.080 -8.779 53.014 1.00 7.89 C ATOM 1817 O SER A 194 8.502 -7.907 52.269 1.00 8.53 O ATOM 1818 CB SER A 194 9.248 -10.708 51.969 1.00 8.78 C ATOM 1819 OG SER A 194 10.200 -10.764 53.016 1.00 9.72 O ATOM 1820 HG SER A 194 9.869 -11.365 53.730 1.00 0.00 H ATOM 1821 H SER A 194 6.832 -9.372 50.790 1.00 0.00 H ATOM 1822 N PRO A 195 7.721 -8.546 54.281 1.00 7.94 N ATOM 1823 CA PRO A 195 7.714 -7.143 54.799 1.00 8.15 C ATOM 1824 C PRO A 195 9.088 -6.711 55.248 1.00 9.49 C ATOM 1825 O PRO A 195 10.086 -7.437 55.167 1.00 10.65 O ATOM 1826 CB PRO A 195 6.733 -7.237 55.970 1.00 9.69 C ATOM 1827 CG PRO A 195 6.921 -8.592 56.492 1.00 12.30 C ATOM 1828 CD PRO A 195 7.163 -9.502 55.290 1.00 9.10 C ATOM 1829 N GLY A 196 9.132 -5.499 55.717 1.00 13.21 N ATOM 1830 CA GLY A 196 10.344 -4.870 56.228 1.00 14.98 C ATOM 1831 C GLY A 196 10.034 -4.085 57.464 1.00 14.41 C ATOM 1832 O GLY A 196 8.969 -4.109 57.991 1.00 15.06 O ATOM 1833 H GLY A 196 8.251 -4.946 55.728 1.00 0.00 H ATOM 1834 N PHE A 197 11.028 -3.299 57.883 1.00 16.54 N ATOM 1835 CA PHE A 197 10.942 -2.404 58.991 1.00 18.98 C ATOM 1836 C PHE A 197 9.645 -1.726 59.199 1.00 13.37 C ATOM 1837 O PHE A 197 9.036 -1.744 60.298 1.00 16.90 O ATOM 1838 CB PHE A 197 12.198 -1.365 59.009 1.00 21.04 C ATOM 1839 CG PHE A 197 12.198 -0.450 60.125 1.00 18.03 C ATOM 1840 CD1 PHE A 197 12.390 -0.866 61.374 1.00 22.25 C ATOM 1841 CD2 PHE A 197 12.157 0.917 59.833 1.00 23.17 C ATOM 1842 CE1 PHE A 197 12.421 0.015 62.402 1.00 22.83 C ATOM 1843 CE2 PHE A 197 12.150 1.803 60.852 1.00 26.90 C ATOM 1844 CZ PHE A 197 12.249 1.348 62.125 1.00 27.95 C ATOM 1845 H PHE A 197 11.929 -3.342 57.365 1.00 0.00 H ATOM 1846 N TYR A 198 9.294 -0.964 58.160 1.00 13.48 N ATOM 1847 CA TYR A 198 8.150 -0.138 58.249 1.00 11.69 C ATOM 1848 C TYR A 198 6.813 -0.896 58.146 1.00 12.05 C ATOM 1849 O TYR A 198 5.773 -0.290 58.433 1.00 15.48 O ATOM 1850 CB TYR A 198 8.212 0.994 57.244 1.00 12.03 C ATOM 1851 CG TYR A 198 9.112 2.146 57.668 1.00 9.96 C ATOM 1852 CD1 TYR A 198 8.732 2.930 58.727 1.00 10.09 C ATOM 1853 CD2 TYR A 198 10.252 2.438 56.977 1.00 11.31 C ATOM 1854 CE1 TYR A 198 9.492 4.027 59.087 1.00 10.34 C ATOM 1855 CE2 TYR A 198 11.027 3.533 57.300 1.00 9.74 C ATOM 1856 CZ TYR A 198 10.654 4.347 58.367 1.00 9.67 C ATOM 1857 OH TYR A 198 11.391 5.428 58.732 1.00 11.59 O ATOM 1858 HH TYR A 198 12.303 5.135 58.981 1.00 0.00 H ATOM 1859 H TYR A 198 9.860 -0.978 57.288 1.00 0.00 H ATOM 1860 N THR A 199 6.813 -2.107 57.608 1.00 11.08 N ATOM 1861 CA THR A 199 5.615 -2.755 57.229 1.00 10.85 C ATOM 1862 C THR A 199 5.300 -4.024 58.026 1.00 12.68 C ATOM 1863 O THR A 199 4.212 -4.567 57.921 1.00 14.76 O ATOM 1864 CB THR A 199 5.597 -3.074 55.743 1.00 9.86 C ATOM 1865 OG1 THR A 199 6.656 -3.938 55.471 1.00 12.77 O ATOM 1866 CG2 THR A 199 5.600 -1.852 54.896 1.00 11.33 C ATOM 1867 HG1 THR A 199 6.661 -4.158 54.506 1.00 0.00 H ATOM 1868 H THR A 199 7.720 -2.594 57.460 1.00 0.00 H ATOM 1869 N ARG A 200 6.278 -4.545 58.757 1.00 14.25 N ATOM 1870 CA ARG A 200 6.160 -5.867 59.435 1.00 18.75 C ATOM 1871 C ARG A 200 4.975 -5.930 60.418 1.00 17.41 C ATOM 1872 O ARG A 200 4.436 -6.995 60.686 1.00 19.35 O ATOM 1873 CB ARG A 200 7.524 -6.090 60.186 1.00 23.82 C ATOM 1874 CG ARG A 200 7.840 -7.416 60.692 1.00 29.80 C ATOM 1875 CD ARG A 200 9.213 -7.327 61.322 1.00 30.64 C ATOM 1876 NE ARG A 200 10.362 -6.786 60.517 1.00 25.48 N ATOM 1877 CZ ARG A 200 10.786 -7.480 59.506 1.00 22.21 C ATOM 1878 NH1 ARG A 200 11.818 -7.124 58.771 1.00 25.52 N ATOM 1879 NH2 ARG A 200 10.080 -8.496 59.181 1.00 26.43 N ATOM 1880 HE ARG A 200 10.806 -5.878 60.764 1.00 0.00 H ATOM 1881 HH12 ARG A 200 12.116 -7.718 57.971 1.00 0.00 H ATOM 1882 HH11 ARG A 200 12.335 -6.249 58.990 1.00 0.00 H ATOM 1883 HH22 ARG A 200 10.366 -9.093 58.379 1.00 0.00 H ATOM 1884 HH21 ARG A 200 9.220 -8.725 59.719 1.00 0.00 H ATOM 1885 H ARG A 200 7.163 -4.009 58.861 1.00 0.00 H ATOM 1886 N HIS A 201 4.573 -4.771 60.948 1.00 17.19 N ATOM 1887 CA HIS A 201 3.453 -4.717 61.920 1.00 19.25 C ATOM 1888 C HIS A 201 2.105 -4.994 61.330 1.00 22.71 C ATOM 1889 O HIS A 201 1.126 -5.245 62.056 1.00 25.48 O ATOM 1890 CB HIS A 201 3.403 -3.318 62.607 1.00 21.41 C ATOM 1891 CG HIS A 201 3.070 -2.192 61.680 1.00 26.08 C ATOM 1892 ND1 HIS A 201 3.991 -1.685 60.748 1.00 29.37 N ATOM 1893 CD2 HIS A 201 1.922 -1.503 61.495 1.00 31.41 C ATOM 1894 CE1 HIS A 201 3.410 -0.747 60.046 1.00 31.84 C ATOM 1895 NE2 HIS A 201 2.171 -0.603 60.489 1.00 28.38 N ATOM 1896 H HIS A 201 5.054 -3.891 60.674 1.00 0.00 H ATOM 1897 N GLU A 202 2.074 -4.928 59.998 1.00 18.99 N ATOM 1898 CA GLU A 202 0.873 -5.061 59.270 1.00 21.47 C ATOM 1899 C GLU A 202 0.419 -6.536 59.289 1.00 21.85 C ATOM 1900 O GLU A 202 1.232 -7.489 59.473 1.00 20.70 O ATOM 1901 CB GLU A 202 1.006 -4.378 57.872 1.00 22.50 C ATOM 1902 CG GLU A 202 1.595 -2.885 57.881 1.00 25.03 C ATOM 1903 CD GLU A 202 1.823 -2.195 56.510 1.00 25.21 C ATOM 1904 OE1 GLU A 202 2.129 -2.980 55.551 1.00 15.94 O ATOM 1905 OE2 GLU A 202 1.816 -0.884 56.406 1.00 37.36 O ATOM 1906 H GLU A 202 2.963 -4.774 59.480 1.00 0.00 H ATOM 1907 N GLU A 203 -0.871 -6.772 59.114 1.00 26.26 N ATOM 1908 CA GLU A 203 -1.348 -8.086 58.913 1.00 23.62 C ATOM 1909 C GLU A 203 -1.526 -8.174 57.339 1.00 19.77 C ATOM 1910 O GLU A 203 -1.955 -7.247 56.687 1.00 22.90 O ATOM 1911 CB GLU A 203 -2.692 -8.484 59.594 1.00 29.28 C ATOM 1912 CG GLU A 203 -2.829 -10.038 59.524 1.00 37.85 C ATOM 1913 CD GLU A 203 -4.151 -10.757 59.840 1.00 49.12 C ATOM 1914 OE1 GLU A 203 -4.066 -12.008 59.808 1.00 57.29 O ATOM 1915 OE2 GLU A 203 -5.261 -10.203 60.079 1.00 41.77 O ATOM 1916 H GLU A 203 -1.543 -5.979 59.125 1.00 0.00 H ATOM 1917 N PHE A 204 -1.257 -9.337 56.816 1.00 15.81 N ATOM 1918 CA PHE A 204 -1.278 -9.579 55.401 1.00 14.71 C ATOM 1919 C PHE A 204 -2.244 -10.681 55.031 1.00 16.37 C ATOM 1920 O PHE A 204 -1.916 -11.649 54.361 1.00 16.15 O ATOM 1921 CB PHE A 204 0.127 -9.894 54.926 1.00 13.31 C ATOM 1922 CG PHE A 204 1.126 -8.749 55.167 1.00 11.40 C ATOM 1923 CD1 PHE A 204 1.141 -7.639 54.347 1.00 11.07 C ATOM 1924 CD2 PHE A 204 1.996 -8.748 56.204 1.00 12.31 C ATOM 1925 CE1 PHE A 204 2.033 -6.630 54.560 1.00 12.44 C ATOM 1926 CE2 PHE A 204 2.911 -7.746 56.409 1.00 12.18 C ATOM 1927 CZ PHE A 204 2.920 -6.690 55.565 1.00 12.73 C ATOM 1928 H PHE A 204 -1.017 -10.124 57.452 1.00 0.00 H ATOM 1929 N ALA A 205 -3.494 -10.518 55.471 1.00 21.40 N ATOM 1930 CA ALA A 205 -4.498 -11.447 55.134 1.00 22.52 C ATOM 1931 C ALA A 205 -4.680 -11.493 53.617 1.00 20.22 C ATOM 1932 O ALA A 205 -4.797 -10.490 52.869 1.00 22.68 O ATOM 1933 CB ALA A 205 -5.811 -11.067 55.890 1.00 27.92 C ATOM 1934 H ALA A 205 -3.728 -9.699 56.067 1.00 0.00 H ATOM 1935 N GLY A 206 -4.776 -12.716 53.164 1.00 21.57 N ATOM 1936 CA GLY A 206 -4.927 -12.957 51.741 1.00 20.19 C ATOM 1937 C GLY A 206 -3.617 -13.080 50.968 1.00 18.47 C ATOM 1938 O GLY A 206 -3.688 -13.464 49.820 1.00 19.50 O ATOM 1939 H GLY A 206 -4.744 -13.518 53.825 1.00 0.00 H ATOM 1940 N ALA A 207 -2.471 -12.825 51.608 1.00 15.56 N ATOM 1941 CA ALA A 207 -1.200 -13.114 50.959 1.00 13.59 C ATOM 1942 C ALA A 207 -1.137 -14.602 50.638 1.00 12.35 C ATOM 1943 O ALA A 207 -1.507 -15.437 51.431 1.00 14.99 O ATOM 1944 CB ALA A 207 -0.040 -12.649 51.773 1.00 13.15 C ATOM 1945 H ALA A 207 -2.487 -12.421 52.566 1.00 0.00 H ATOM 1946 N ASP A 208 -0.614 -14.923 49.467 1.00 11.92 N ATOM 1947 CA ASP A 208 -0.473 -16.282 49.110 1.00 13.19 C ATOM 1948 C ASP A 208 0.599 -16.972 49.845 1.00 12.83 C ATOM 1949 O ASP A 208 0.517 -18.162 50.167 1.00 14.78 O ATOM 1950 CB ASP A 208 -0.356 -16.356 47.637 1.00 16.43 C ATOM 1951 CG ASP A 208 -1.731 -15.979 46.993 1.00 18.65 C ATOM 1952 OD1 ASP A 208 -2.643 -16.886 46.892 1.00 28.11 O ATOM 1953 OD2 ASP A 208 -1.999 -14.723 46.747 1.00 22.18 O ATOM 1954 H ASP A 208 -0.307 -14.177 48.811 1.00 0.00 H ATOM 1955 N ARG A 209 1.689 -16.229 50.058 1.00 11.87 N ATOM 1956 CA ARG A 209 2.783 -16.644 50.959 1.00 10.32 C ATOM 1957 C ARG A 209 3.216 -15.387 51.673 1.00 10.26 C ATOM 1958 O ARG A 209 3.158 -14.288 51.118 1.00 10.56 O ATOM 1959 CB ARG A 209 3.981 -17.250 50.206 1.00 11.10 C ATOM 1960 CG ARG A 209 3.632 -18.456 49.399 1.00 13.24 C ATOM 1961 CD ARG A 209 4.796 -19.084 48.694 1.00 14.09 C ATOM 1962 NE ARG A 209 5.847 -19.554 49.604 1.00 15.34 N ATOM 1963 CZ ARG A 209 7.104 -19.828 49.236 1.00 14.36 C ATOM 1964 NH1 ARG A 209 7.462 -19.765 47.929 1.00 16.35 N ATOM 1965 NH2 ARG A 209 8.021 -20.172 50.103 1.00 16.80 N ATOM 1966 HE ARG A 209 5.597 -19.683 50.605 1.00 0.00 H ATOM 1967 HH12 ARG A 209 8.440 -19.979 47.647 1.00 0.00 H ATOM 1968 HH11 ARG A 209 6.759 -19.503 47.209 1.00 0.00 H ATOM 1969 HH22 ARG A 209 8.989 -20.378 49.782 1.00 0.00 H ATOM 1970 HH21 ARG A 209 7.783 -20.239 51.113 1.00 0.00 H ATOM 1971 H ARG A 209 1.771 -15.316 49.566 1.00 0.00 H ATOM 1972 N LEU A 210 3.690 -15.589 52.892 1.00 10.87 N ATOM 1973 CA LEU A 210 4.213 -14.507 53.763 1.00 10.09 C ATOM 1974 C LEU A 210 5.579 -14.952 54.235 1.00 10.63 C ATOM 1975 O LEU A 210 5.686 -15.956 54.967 1.00 12.43 O ATOM 1976 CB LEU A 210 3.320 -14.222 54.928 1.00 11.02 C ATOM 1977 CG LEU A 210 3.780 -13.123 55.874 1.00 12.21 C ATOM 1978 CD1 LEU A 210 3.934 -11.773 55.161 1.00 13.07 C ATOM 1979 CD2 LEU A 210 2.859 -12.961 57.042 1.00 14.90 C ATOM 1980 H LEU A 210 3.696 -16.561 53.261 1.00 0.00 H ATOM 1981 N LEU A 211 6.659 -14.278 53.787 1.00 9.65 N ATOM 1982 CA LEU A 211 8.019 -14.749 53.961 1.00 10.27 C ATOM 1983 C LEU A 211 8.808 -13.740 54.760 1.00 8.35 C ATOM 1984 O LEU A 211 8.708 -12.542 54.507 1.00 10.10 O ATOM 1985 CB LEU A 211 8.688 -14.917 52.597 1.00 11.30 C ATOM 1986 CG LEU A 211 7.991 -15.849 51.613 1.00 15.15 C ATOM 1987 CD1 LEU A 211 8.788 -15.880 50.313 1.00 16.72 C ATOM 1988 CD2 LEU A 211 7.672 -17.206 52.128 1.00 18.18 C ATOM 1989 H LEU A 211 6.508 -13.376 53.292 1.00 0.00 H ATOM 1990 N ASP A 212 9.744 -14.261 55.558 1.00 9.38 N ATOM 1991 CA ASP A 212 10.691 -13.361 56.176 1.00 8.48 C ATOM 1992 C ASP A 212 11.734 -12.797 55.192 1.00 8.81 C ATOM 1993 O ASP A 212 12.256 -11.712 55.421 1.00 9.97 O ATOM 1994 CB ASP A 212 11.457 -14.053 57.276 1.00 10.69 C ATOM 1995 CG ASP A 212 10.643 -14.321 58.552 1.00 10.82 C ATOM 1996 OD1 ASP A 212 9.533 -13.746 58.697 1.00 12.83 O ATOM 1997 OD2 ASP A 212 11.093 -15.192 59.338 1.00 12.44 O ATOM 1998 H ASP A 212 9.790 -15.286 55.730 1.00 0.00 H ATOM 1999 N SER A 213 11.985 -13.514 54.103 1.00 9.22 N ATOM 2000 CA SER A 213 12.935 -13.150 53.090 1.00 9.83 C ATOM 2001 C SER A 213 12.520 -13.709 51.740 1.00 9.68 C ATOM 2002 O SER A 213 12.062 -14.831 51.659 1.00 10.63 O ATOM 2003 CB SER A 213 14.300 -13.653 53.420 1.00 11.39 C ATOM 2004 OG SER A 213 15.229 -13.426 52.404 1.00 12.14 O ATOM 2005 HG SER A 213 15.301 -12.453 52.235 1.00 0.00 H ATOM 2006 H SER A 213 11.457 -14.401 53.975 1.00 0.00 H ATOM 2007 N PHE A 214 12.696 -12.920 50.660 1.00 9.30 N ATOM 2008 CA PHE A 214 12.487 -13.489 49.336 1.00 11.20 C ATOM 2009 C PHE A 214 13.480 -14.588 48.980 1.00 11.51 C ATOM 2010 O PHE A 214 13.199 -15.359 48.052 1.00 13.97 O ATOM 2011 CB PHE A 214 12.436 -12.368 48.262 1.00 10.76 C ATOM 2012 CG PHE A 214 11.203 -11.487 48.370 1.00 9.38 C ATOM 2013 CD1 PHE A 214 9.931 -12.002 48.204 1.00 9.59 C ATOM 2014 CD2 PHE A 214 11.373 -10.137 48.612 1.00 8.89 C ATOM 2015 CE1 PHE A 214 8.845 -11.139 48.254 1.00 10.75 C ATOM 2016 CE2 PHE A 214 10.311 -9.299 48.644 1.00 9.23 C ATOM 2017 CZ PHE A 214 9.045 -9.772 48.507 1.00 9.78 C ATOM 2018 H PHE A 214 12.976 -11.924 50.771 1.00 0.00 H ATOM 2019 N ALA A 215 14.571 -14.679 49.750 1.00 12.16 N ATOM 2020 CA ALA A 215 15.452 -15.809 49.586 1.00 13.10 C ATOM 2021 C ALA A 215 14.837 -17.171 49.989 1.00 13.96 C ATOM 2022 O ALA A 215 15.430 -18.226 49.687 1.00 18.91 O ATOM 2023 CB ALA A 215 16.746 -15.596 50.316 1.00 16.15 C ATOM 2024 H ALA A 215 14.780 -13.945 50.457 1.00 0.00 H ATOM 2025 N GLU A 216 13.698 -17.100 50.655 1.00 12.98 N ATOM 2026 CA GLU A 216 12.924 -18.289 51.040 1.00 14.70 C ATOM 2027 C GLU A 216 11.922 -18.718 49.973 1.00 13.18 C ATOM 2028 O GLU A 216 11.184 -19.648 50.167 1.00 16.33 O ATOM 2029 CB GLU A 216 12.209 -18.069 52.381 1.00 13.74 C ATOM 2030 CG GLU A 216 13.179 -17.771 53.524 1.00 14.78 C ATOM 2031 CD GLU A 216 12.571 -17.155 54.767 1.00 15.24 C ATOM 2032 OE1 GLU A 216 11.466 -16.643 54.703 1.00 19.32 O ATOM 2033 OE2 GLU A 216 13.295 -17.030 55.755 1.00 23.54 O ATOM 2034 H GLU A 216 13.333 -16.162 50.918 1.00 0.00 H ATOM 2035 N LEU A 217 11.858 -18.015 48.832 1.00 15.00 N ATOM 2036 CA LEU A 217 10.912 -18.383 47.780 1.00 15.53 C ATOM 2037 C LEU A 217 11.116 -19.771 47.276 1.00 14.86 C ATOM 2038 O LEU A 217 10.150 -20.482 46.963 1.00 17.35 O ATOM 2039 CB LEU A 217 11.033 -17.437 46.561 1.00 18.36 C ATOM 2040 CG LEU A 217 10.265 -16.152 46.738 1.00 20.16 C ATOM 2041 CD1 LEU A 217 10.658 -15.165 45.641 1.00 24.12 C ATOM 2042 CD2 LEU A 217 8.759 -16.421 46.641 1.00 27.11 C ATOM 2043 H LEU A 217 12.488 -17.199 48.694 1.00 0.00 H ATOM 2044 N GLY A 218 12.369 -20.164 47.105 1.00 15.44 N ATOM 2045 CA GLY A 218 12.586 -21.483 46.633 1.00 19.14 C ATOM 2046 C GLY A 218 12.705 -21.630 45.138 1.00 20.15 C ATOM 2047 O GLY A 218 12.606 -22.770 44.615 1.00 25.23 O ATOM 2048 H GLY A 218 13.166 -19.528 47.310 1.00 0.00 H ATOM 2049 N GLY A 219 12.935 -20.515 44.469 1.00 18.82 N ATOM 2050 CA GLY A 219 13.005 -20.510 42.996 1.00 21.75 C ATOM 2051 C GLY A 219 11.657 -20.238 42.360 1.00 17.95 C ATOM 2052 O GLY A 219 10.663 -19.973 43.065 1.00 18.33 O ATOM 2053 H GLY A 219 13.069 -19.625 44.990 1.00 0.00 H ATOM 2054 N LEU A 220 11.625 -20.290 41.009 1.00 17.33 N ATOM 2055 CA LEU A 220 10.390 -19.990 40.299 1.00 14.85 C ATOM 2056 C LEU A 220 9.238 -20.885 40.711 1.00 14.42 C ATOM 2057 O LEU A 220 8.085 -20.462 40.735 1.00 16.12 O ATOM 2058 CB LEU A 220 10.646 -20.177 38.814 1.00 17.01 C ATOM 2059 CG LEU A 220 11.536 -19.179 38.104 1.00 18.34 C ATOM 2060 CD1 LEU A 220 11.859 -19.591 36.701 1.00 17.31 C ATOM 2061 CD2 LEU A 220 10.874 -17.817 38.129 1.00 19.95 C ATOM 2062 H LEU A 220 12.482 -20.544 40.478 1.00 0.00 H ATOM 2063 N ALA A 221 9.533 -22.132 41.092 1.00 15.80 N ATOM 2064 CA ALA A 221 8.495 -23.039 41.491 1.00 17.18 C ATOM 2065 C ALA A 221 7.793 -22.548 42.751 1.00 14.43 C ATOM 2066 O ALA A 221 6.631 -22.883 42.973 1.00 15.88 O ATOM 2067 CB ALA A 221 9.022 -24.454 41.716 1.00 19.05 C ATOM 2068 H ALA A 221 10.524 -22.448 41.099 1.00 0.00 H ATOM 2069 N GLY A 222 8.452 -21.761 43.587 1.00 13.99 N ATOM 2070 CA GLY A 222 7.784 -21.185 44.753 1.00 14.40 C ATOM 2071 C GLY A 222 6.718 -20.117 44.489 1.00 14.00 C ATOM 2072 O GLY A 222 6.004 -19.739 45.398 1.00 14.27 O ATOM 2073 H GLY A 222 9.455 -21.550 43.413 1.00 0.00 H ATOM 2074 N LEU A 223 6.625 -19.700 43.236 1.00 13.06 N ATOM 2075 CA LEU A 223 5.645 -18.755 42.825 1.00 14.25 C ATOM 2076 C LEU A 223 4.353 -19.416 42.381 1.00 18.81 C ATOM 2077 O LEU A 223 3.423 -18.669 42.102 1.00 20.07 O ATOM 2078 CB LEU A 223 6.199 -17.946 41.657 1.00 14.54 C ATOM 2079 CG LEU A 223 7.458 -17.108 41.944 1.00 14.73 C ATOM 2080 CD1 LEU A 223 7.941 -16.521 40.647 1.00 17.71 C ATOM 2081 CD2 LEU A 223 7.178 -15.973 42.922 1.00 18.92 C ATOM 2082 H LEU A 223 7.290 -20.075 42.530 1.00 0.00 H ATOM 2083 N ASP A 224 4.351 -20.783 42.284 1.00 19.86 N ATOM 2084 CA ASP A 224 3.223 -21.581 41.851 1.00 29.05 C ATOM 2085 C ASP A 224 2.201 -21.917 42.978 1.00 27.32 C ATOM 2086 O ASP A 224 2.527 -21.855 44.143 1.00 29.83 O ATOM 2087 CB ASP A 224 3.774 -22.926 41.293 1.00 30.81 C ATOM 2088 CG ASP A 224 4.558 -22.740 39.996 1.00 32.22 C ATOM 2089 OD1 ASP A 224 4.404 -21.638 39.298 1.00 44.85 O ATOM 2090 OD2 ASP A 224 5.295 -23.688 39.636 1.00 39.00 O ATOM 2091 H ASP A 224 5.225 -21.285 42.541 1.00 0.00 H ATOM 2092 N LEU A 225 0.940 -22.160 42.556 1.00 40.76 N ATOM 2093 CA LEU A 225 -0.275 -22.772 43.269 1.00 45.59 C ATOM 2094 C LEU A 225 -1.569 -21.942 43.158 1.00 53.32 C ATOM 2095 O LEU A 225 -2.230 -21.959 42.119 1.00 58.86 O ATOM 2096 CB LEU A 225 -0.072 -23.178 44.709 1.00 43.93 C ATOM 2097 CG LEU A 225 0.323 -24.622 44.819 1.00 44.03 C ATOM 2098 CD1 LEU A 225 1.763 -24.708 44.415 1.00 50.11 C ATOM 2099 CD2 LEU A 225 0.137 -25.076 46.262 1.00 45.50 C ATOM 2100 H LEU A 225 0.760 -21.882 41.570 1.00 0.00 H TER 2101 LEU A 225 HETATM 2102 MG MG A 1 6.568 -1.349 48.417 1.00 7.79 MG HETATM 2103 O HOH 2 13.424 -3.821 56.693 1.00 28.74 O HETATM 2104 O HOH 3 0.946 -11.561 24.379 1.00 37.06 O HETATM 2105 O HOH 4 1.362 13.996 59.691 1.00 41.25 O HETATM 2106 O HOH 5 -3.847 -0.711 53.588 1.00 35.22 O HETATM 2107 O HOH 6 -6.449 5.459 38.323 1.00 19.33 O HETATM 2108 O HOH 7 10.016 3.610 64.822 1.00 50.80 O HETATM 2109 O HOH 8 -3.276 -6.029 59.059 1.00 41.89 O HETATM 2110 O HOH 9 12.981 -16.923 58.264 1.00 12.07 O HETATM 2111 O HOH 10 -1.604 17.015 58.250 1.00 36.68 O HETATM 2112 O HOH 11 9.637 -16.954 56.459 1.00 20.09 O HETATM 2113 O HOH 12 -4.501 -7.583 56.426 1.00 29.74 O HETATM 2114 O HOH 13 26.949 -2.143 33.496 1.00 20.32 O HETATM 2115 O HOH 14 29.889 5.447 46.341 1.00 15.57 O HETATM 2116 O HOH 15 22.986 -0.359 28.127 1.00 41.85 O HETATM 2117 O HOH 16 11.842 -21.775 51.618 1.00 41.56 O HETATM 2118 O HOH 17 4.867 23.371 39.784 1.00 39.52 O HETATM 2119 O HOH 18 30.550 2.794 52.349 1.00 27.18 O HETATM 2120 O HOH 19 13.932 21.062 57.933 1.00 24.27 O HETATM 2121 O HOH 20 24.270 -1.251 30.298 1.00 25.58 O HETATM 2122 O HOH 21 25.523 10.461 43.520 1.00 21.24 O HETATM 2123 O HOH 22 9.353 11.714 68.057 1.00 18.87 O HETATM 2124 O HOH 23 7.081 30.256 58.856 1.00 32.51 O HETATM 2125 O HOH 24 -6.160 -8.231 58.486 1.00 44.64 O HETATM 2126 O HOH 25 7.467 28.811 54.326 1.00 24.82 O HETATM 2127 O HOH 26 15.819 18.213 57.668 1.00 36.48 O HETATM 2128 O HOH 27 27.424 -1.812 46.763 1.00 23.75 O HETATM 2129 O HOH 28 7.093 27.003 61.857 1.00 25.47 O HETATM 2130 O HOH 29 25.210 0.088 43.397 1.00 17.27 O HETATM 2131 O HOH 30 4.806 -18.226 56.160 1.00 34.91 O HETATM 2132 O HOH 31 -9.795 2.318 39.495 1.00 36.39 O HETATM 2133 O HOH 32 -3.705 5.958 55.297 1.00 33.76 O HETATM 2134 O HOH 33 -3.879 7.793 52.199 1.00 34.44 O HETATM 2135 O HOH 34 -9.813 -5.831 38.850 1.00 28.34 O HETATM 2136 O HOH 35 -10.623 -4.746 42.361 1.00 17.92 O HETATM 2137 O HOH 36 18.312 5.608 58.884 1.00 26.52 O HETATM 2138 O HOH 37 26.237 2.466 42.172 1.00 18.97 O HETATM 2139 O HOH 38 -1.513 12.555 58.661 1.00 56.52 O HETATM 2140 O HOH 39 24.561 -1.536 45.501 1.00 24.34 O HETATM 2141 O HOH 40 8.613 25.154 38.618 1.00 49.11 O HETATM 2142 O HOH 41 -2.264 5.593 49.090 1.00 11.03 O HETATM 2143 O HOH 42 5.242 -25.540 36.242 1.00 60.37 O HETATM 2144 O HOH 43 11.768 14.465 65.780 1.00 18.28 O HETATM 2145 O HOH 44 25.386 1.194 36.322 1.00 26.05 O HETATM 2146 O HOH 45 29.167 5.855 49.083 1.00 47.99 O HETATM 2147 O HOH 46 8.796 -11.018 58.351 1.00 25.49 O HETATM 2148 O HOH 47 -9.714 8.985 39.189 1.00 22.09 O HETATM 2149 O HOH 48 12.599 27.669 49.614 1.00 32.82 O HETATM 2150 O HOH 49 5.038 -19.962 52.369 1.00 23.93 O HETATM 2151 O HOH 50 -8.607 -5.697 36.733 1.00 34.15 O HETATM 2152 O HOH 51 -6.728 -0.106 33.566 1.00 25.84 O HETATM 2153 O HOH 52 9.272 17.726 63.209 1.00 26.15 O HETATM 2154 O HOH 53 17.995 -20.660 29.296 1.00 45.71 O HETATM 2155 O HOH 54 -0.875 10.702 60.611 1.00 49.01 O HETATM 2156 O HOH 55 3.581 -22.801 46.727 1.00 50.99 O HETATM 2157 O HOH 56 9.715 9.048 68.044 1.00 24.66 O HETATM 2158 O HOH 57 7.488 -20.452 53.000 1.00 27.99 O HETATM 2159 O HOH 58 15.077 -9.874 53.426 1.00 12.52 O HETATM 2160 O HOH 59 22.598 -7.712 40.660 1.00 21.45 O HETATM 2161 O HOH 60 -7.863 -2.506 30.573 1.00 25.56 O HETATM 2162 O HOH 61 1.513 -21.530 38.494 1.00 42.12 O HETATM 2163 O HOH 62 13.116 -4.778 60.138 1.00 45.39 O HETATM 2164 O HOH 63 11.188 28.358 53.459 1.00 39.46 O HETATM 2165 O HOH 64 0.740 16.773 59.731 1.00 41.44 O HETATM 2166 O HOH 65 10.914 8.171 65.752 1.00 18.21 O HETATM 2167 O HOH 66 1.765 -8.702 62.220 1.00 43.91 O HETATM 2168 O HOH 67 -8.596 -3.579 49.274 1.00 32.61 O HETATM 2169 O HOH 68 7.423 -18.424 55.548 1.00 34.83 O HETATM 2170 O HOH 69 -9.879 -9.135 42.070 1.00 44.47 O HETATM 2171 O HOH 70 9.935 28.366 55.427 1.00 29.44 O HETATM 2172 O HOH 71 16.536 7.322 63.001 1.00 35.21 O HETATM 2173 O HOH 72 31.474 5.406 51.219 1.00 24.05 O HETATM 2174 O HOH 73 -3.117 14.836 58.259 1.00 37.57 O HETATM 2175 O HOH 74 13.559 4.088 65.735 1.00 42.98 O HETATM 2176 O HOH 75 9.342 -1.141 65.038 1.00 37.21 O HETATM 2177 O HOH 76 24.662 0.997 31.714 1.00 17.48 O HETATM 2178 O HOH 77 18.227 17.174 57.035 1.00 27.20 O HETATM 2179 O HOH 78 15.928 5.232 65.648 1.00 37.17 O HETATM 2180 O HOH 79 -6.853 -2.304 54.860 1.00 50.36 O HETATM 2181 O HOH 80 18.135 6.414 61.512 1.00 40.66 O HETATM 2182 O HOH 81 6.697 12.086 68.522 1.00 29.90 O HETATM 2183 O HOH 82 0.375 -19.630 36.619 1.00 30.05 O HETATM 2184 O HOH 83 11.111 -1.412 64.228 1.00 39.26 O HETATM 2185 O HOH 84 3.509 -21.763 51.561 1.00 31.96 O HETATM 2186 O HOH 85 16.411 -3.836 56.675 1.00 45.57 O HETATM 2187 O HOH 86 24.239 4.308 38.958 1.00 31.53 O HETATM 2188 O HOH 87 22.392 11.866 40.245 1.00 22.82 O HETATM 2189 O HOH 88 -9.883 -6.432 46.242 1.00 21.30 O HETATM 2190 O HOH 89 -3.759 2.561 55.037 1.00 42.59 O HETATM 2191 O HOH 90 7.269 -3.622 63.513 1.00 37.84 O HETATM 2192 O HOH 91 -8.676 3.563 34.963 1.00 32.65 O HETATM 2193 O HOH 92 27.446 -4.560 33.853 1.00 28.76 O HETATM 2194 O HOH 93 -9.148 6.750 38.319 1.00 34.40 O HETATM 2195 O HOH 94 11.679 24.526 42.183 1.00 40.44 O HETATM 2196 O HOH 95 -8.338 1.823 32.592 1.00 20.27 O HETATM 2197 O HOH 96 25.906 -2.773 28.499 1.00 39.43 O HETATM 2198 O HOH 97 12.366 -19.615 26.491 1.00 48.97 O HETATM 2199 O HOH 98 22.880 -7.859 43.371 1.00 21.32 O HETATM 2200 O HOH 99 -2.848 -4.160 61.714 1.00 33.49 O HETATM 2201 O HOH 100 11.327 5.508 66.105 1.00 35.95 O HETATM 2202 O HOH 101 6.269 -18.118 29.778 1.00 41.65 O HETATM 2203 O HOH 102 10.943 -24.876 38.243 1.00 46.61 O HETATM 2204 O HOH 103 22.913 9.459 39.153 1.00 18.59 O HETATM 2205 O HOH 104 8.101 28.320 64.173 1.00 69.28 O HETATM 2206 O HOH 105 14.533 -21.148 52.837 1.00 35.79 O HETATM 2207 O HOH 106 -1.751 -2.432 58.974 1.00 23.89 O HETATM 2208 O HOH 107 29.542 8.011 45.650 1.00 16.87 O HETATM 2209 O HOH 108 18.619 -1.777 55.164 1.00 44.65 O HETATM 2210 O HOH 109 -6.380 -5.505 30.396 1.00 38.30 O HETATM 2211 O HOH 110 24.748 12.359 41.596 1.00 23.88 O HETATM 2212 O HOH 111 6.426 31.222 56.469 1.00 36.16 O HETATM 2213 O HOH 112 20.431 -15.121 50.265 1.00 50.38 O HETATM 2214 O HOH 113 16.161 20.493 59.059 1.00 22.36 O HETATM 2215 O HOH 114 -10.891 -4.211 44.837 1.00 21.06 O HETATM 2216 O HOH 115 17.191 22.793 59.024 1.00 26.72 O HETATM 2217 O HOH 116 8.696 16.574 66.773 1.00 41.58 O HETATM 2218 O HOH 117 15.839 -8.962 56.916 1.00 37.06 O HETATM 2219 O HOH 118 17.041 -1.542 57.321 1.00 36.27 O HETATM 2220 O HOH 119 -8.205 -8.833 33.381 1.00 33.77 O HETATM 2221 O HOH 120 -10.698 -6.239 50.764 1.00 45.14 O HETATM 2222 O HOH 121 1.705 4.317 40.625 1.00 7.23 O HETATM 2223 O HOH 122 -2.630 2.001 41.506 1.00 7.49 O HETATM 2224 O HOH 123 0.016 2.893 42.316 1.00 7.16 O HETATM 2225 O HOH 124 5.206 8.924 43.284 1.00 7.42 O HETATM 2226 O HOH 125 3.736 11.324 43.891 1.00 7.99 O HETATM 2227 O HOH 126 4.464 -1.694 48.349 1.00 7.95 O HETATM 2228 O HOH 127 6.272 -0.345 50.271 1.00 9.25 O HETATM 2229 O HOH 128 3.114 0.510 47.510 1.00 9.92 O HETATM 2230 O HOH 129 -3.377 8.115 44.919 1.00 11.21 O HETATM 2231 O HOH 130 14.310 -10.629 50.776 1.00 10.76 O HETATM 2232 O HOH 131 -2.005 7.845 47.382 1.00 10.70 O HETATM 2233 O HOH 132 17.976 -3.744 50.471 1.00 11.70 O HETATM 2234 O HOH 133 19.237 -10.269 45.601 1.00 11.37 O HETATM 2235 O HOH 134 4.250 3.469 51.179 1.00 12.95 O HETATM 2236 O HOH 135 16.789 2.557 52.959 1.00 13.24 O HETATM 2237 O HOH 136 6.947 2.071 51.260 1.00 12.62 O HETATM 2238 O HOH 137 0.483 -0.189 53.544 1.00 12.46 O HETATM 2239 O HOH 138 -5.451 -5.175 32.899 1.00 14.28 O HETATM 2240 O HOH 139 19.276 -13.000 45.039 1.00 14.10 O HETATM 2241 O HOH 140 17.132 8.354 37.378 1.00 13.52 O HETATM 2242 O HOH 141 -1.378 9.238 40.662 1.00 13.56 O HETATM 2243 O HOH 142 2.923 1.058 50.246 1.00 16.44 O HETATM 2244 O HOH 143 21.918 4.882 40.191 1.00 14.44 O HETATM 2245 O HOH 144 -5.007 1.184 35.047 1.00 14.57 O HETATM 2246 O HOH 145 14.865 1.349 54.797 1.00 16.38 O HETATM 2247 O HOH 146 8.636 14.093 62.696 1.00 15.18 O HETATM 2248 O HOH 147 15.996 -7.242 53.288 1.00 14.51 O HETATM 2249 O HOH 148 22.753 1.806 45.975 1.00 16.69 O HETATM 2250 O HOH 149 21.767 -9.338 45.278 1.00 16.31 O HETATM 2251 O HOH 150 10.610 -9.755 56.507 1.00 16.84 O HETATM 2252 O HOH 151 -5.572 6.308 35.571 1.00 17.88 O HETATM 2253 O HOH 152 16.548 8.227 57.096 1.00 16.27 O HETATM 2254 O HOH 153 5.661 10.375 41.044 1.00 16.08 O HETATM 2255 O HOH 154 -5.774 -7.649 33.826 1.00 16.42 O HETATM 2256 O HOH 155 -2.776 10.248 43.260 1.00 16.53 O HETATM 2257 O HOH 156 11.044 -4.344 53.181 1.00 19.85 O HETATM 2258 O HOH 157 -2.380 -14.750 40.094 1.00 18.34 O HETATM 2259 O HOH 158 8.779 -2.836 53.814 1.00 17.52 O HETATM 2260 O HOH 159 -4.272 2.101 32.665 1.00 18.11 O HETATM 2261 O HOH 160 22.987 4.159 47.912 1.00 16.48 O HETATM 2262 O HOH 161 18.193 -5.900 52.265 1.00 17.46 O HETATM 2263 O HOH 162 6.883 -0.178 30.075 1.00 20.73 O HETATM 2264 O HOH 163 10.975 10.400 44.587 1.00 9.51 O HETATM 2265 O HOH 164 20.172 13.448 40.881 1.00 18.52 O HETATM 2266 O HOH 165 21.812 -8.393 47.779 1.00 17.35 O HETATM 2267 O HOH 166 2.087 20.795 42.914 1.00 16.76 O HETATM 2268 O HOH 167 0.643 23.364 55.632 1.00 17.42 O HETATM 2269 O HOH 168 -7.585 -5.933 47.649 1.00 21.42 O HETATM 2270 O HOH 169 7.724 18.393 60.700 1.00 18.12 O HETATM 2271 O HOH 170 5.877 20.528 60.732 1.00 17.30 O HETATM 2272 O HOH 171 3.455 -18.337 53.898 1.00 18.32 O HETATM 2273 O HOH 172 1.221 2.118 52.004 1.00 21.46 O HETATM 2274 O HOH 173 7.075 1.101 53.762 1.00 19.90 O HETATM 2275 O HOH 174 13.250 8.425 34.478 1.00 19.52 O HETATM 2276 O HOH 175 5.363 10.200 38.507 1.00 19.29 O HETATM 2277 O HOH 176 20.485 -13.283 47.969 1.00 20.94 O HETATM 2278 O HOH 177 -7.572 -11.532 43.997 1.00 22.50 O HETATM 2279 O HOH 178 -1.519 6.299 58.908 1.00 19.12 O HETATM 2280 O HOH 179 19.294 -10.503 38.462 1.00 22.90 O HETATM 2281 O HOH 180 1.262 24.783 53.217 1.00 20.95 O HETATM 2282 O HOH 181 -2.817 13.199 49.969 1.00 20.21 O HETATM 2283 O HOH 182 23.688 1.561 34.237 1.00 23.94 O HETATM 2284 O HOH 183 19.150 6.516 54.701 1.00 21.60 O HETATM 2285 O HOH 184 3.431 14.307 37.546 1.00 22.80 O HETATM 2286 O HOH 185 7.393 9.181 37.384 1.00 22.47 O HETATM 2287 O HOH 186 -4.336 -9.149 31.910 1.00 23.25 O HETATM 2288 O HOH 187 21.182 7.433 39.991 1.00 12.65 O HETATM 2289 O HOH 188 4.065 2.081 57.561 1.00 21.45 O HETATM 2290 O HOH 189 -6.036 3.688 35.512 1.00 20.83 O HETATM 2291 O HOH 190 6.739 11.615 65.463 1.00 21.41 O HETATM 2292 O HOH 191 22.211 -5.454 44.633 1.00 24.20 O HETATM 2293 O HOH 192 -1.711 22.736 57.870 1.00 21.50 O HETATM 2294 O HOH 193 19.559 7.119 37.172 1.00 24.43 O HETATM 2295 O HOH 194 14.385 -15.728 45.492 1.00 13.50 O HETATM 2296 O HOH 195 -3.689 9.865 48.418 1.00 22.87 O HETATM 2297 O HOH 196 1.010 22.364 45.384 1.00 24.23 O HETATM 2298 O HOH 197 -0.446 13.536 42.864 1.00 26.43 O HETATM 2299 O HOH 198 19.946 19.690 52.963 1.00 21.28 O HETATM 2300 O HOH 199 -2.292 19.672 51.353 1.00 22.92 O HETATM 2301 O HOH 200 15.404 -20.699 35.038 1.00 23.62 O HETATM 2302 O HOH 201 -1.791 0.688 55.030 1.00 23.71 O HETATM 2303 O HOH 202 19.559 -15.069 33.659 1.00 24.58 O HETATM 2304 O HOH 203 9.335 20.394 62.753 1.00 22.44 O HETATM 2305 O HOH 204 1.087 25.295 59.239 1.00 24.97 O HETATM 2306 O HOH 205 -6.251 -7.110 36.406 1.00 24.69 O HETATM 2307 O HOH 206 15.230 2.302 30.925 1.00 19.87 O HETATM 2308 O HOH 207 3.109 -19.424 45.315 1.00 24.47 O HETATM 2309 O HOH 208 19.124 3.709 54.000 1.00 22.19 O HETATM 2310 O HOH 209 24.285 -7.512 48.583 1.00 25.63 O HETATM 2311 O HOH 210 21.734 7.102 54.158 1.00 22.07 O HETATM 2312 O HOH 211 9.671 13.017 40.772 1.00 25.68 O HETATM 2313 O HOH 212 11.002 10.228 34.150 1.00 29.02 O HETATM 2314 O HOH 213 7.386 -1.750 27.956 1.00 28.75 O HETATM 2315 O HOH 214 -3.254 -6.710 26.843 1.00 23.86 O HETATM 2316 O HOH 215 17.529 18.397 45.009 1.00 25.38 O HETATM 2317 O HOH 216 6.322 16.024 61.418 1.00 28.01 O HETATM 2318 O HOH 217 20.411 -6.816 50.944 1.00 31.21 O HETATM 2319 O HOH 218 7.101 22.215 62.594 1.00 21.42 O HETATM 2320 O HOH 219 2.216 -0.561 25.953 1.00 21.41 O HETATM 2321 O HOH 220 17.280 11.039 37.045 1.00 28.20 O HETATM 2322 O HOH 221 9.101 -0.557 53.182 1.00 20.12 O HETATM 2323 O HOH 222 -0.374 -17.436 38.592 1.00 28.20 O HETATM 2324 O HOH 223 21.717 -10.877 49.081 1.00 27.63 O HETATM 2325 O HOH 224 2.424 20.176 63.428 1.00 28.03 O HETATM 2326 O HOH 225 20.719 -2.312 51.181 1.00 19.64 O HETATM 2327 O HOH 226 -1.107 0.050 57.657 1.00 30.22 O HETATM 2328 O HOH 227 6.462 -2.436 61.140 1.00 26.20 O HETATM 2329 O HOH 228 -0.161 13.623 40.032 1.00 28.46 O HETATM 2330 O HOH 229 2.356 24.070 47.953 1.00 25.72 O HETATM 2331 O HOH 230 10.413 -0.973 55.558 1.00 26.12 O HETATM 2332 O HOH 231 4.382 18.814 62.374 1.00 29.30 O HETATM 2333 O HOH 232 2.094 -3.366 25.270 1.00 29.84 O HETATM 2334 O HOH 233 4.453 -9.356 59.212 1.00 26.93 O HETATM 2335 O HOH 234 12.443 21.883 42.649 1.00 57.68 O HETATM 2336 O HOH 235 18.862 -0.664 52.832 1.00 32.10 O HETATM 2337 O HOH 236 18.365 -16.519 46.917 1.00 32.08 O HETATM 2338 O HOH 237 4.337 1.237 55.056 1.00 26.23 O HETATM 2339 O HOH 238 -2.648 -12.576 23.511 1.00 33.71 O HETATM 2340 O HOH 239 4.356 5.378 64.052 1.00 29.99 O HETATM 2341 O HOH 240 -2.949 14.367 47.131 1.00 32.30 O HETATM 2342 O HOH 241 19.166 7.616 57.271 1.00 38.58 O HETATM 2343 O HOH 242 21.606 -9.166 38.815 1.00 28.19 O HETATM 2344 O HOH 243 19.231 -10.651 35.769 1.00 27.06 O HETATM 2345 O HOH 244 -0.112 -7.164 23.566 1.00 27.49 O HETATM 2346 O HOH 245 20.546 22.265 53.562 1.00 31.06 O HETATM 2347 O HOH 246 25.589 8.886 51.835 1.00 43.92 O HETATM 2348 O HOH 247 7.468 14.321 65.022 1.00 43.33 O HETATM 2349 O HOH 248 20.756 13.564 56.549 1.00 29.23 O HETATM 2350 O HOH 249 -5.550 -13.534 44.082 1.00 49.96 O HETATM 2351 O HOH 250 19.385 -17.564 39.635 1.00 28.98 O HETATM 2352 O HOH 251 13.901 -6.410 29.651 1.00 27.93 O HETATM 2353 O HOH 252 23.009 5.454 52.388 1.00 28.51 O HETATM 2354 O HOH 253 20.407 -12.560 34.237 1.00 31.45 O HETATM 2355 O HOH 254 19.049 -15.284 30.909 1.00 34.27 O HETATM 2356 O HOH 255 12.466 -12.576 30.341 1.00 33.35 O HETATM 2357 O HOH 256 23.555 6.270 36.429 1.00 33.88 O HETATM 2358 O HOH 257 23.206 14.108 51.436 1.00 39.37 O HETATM 2359 O HOH 258 15.582 -17.008 27.215 1.00 63.10 O HETATM 2360 O HOH 259 0.334 25.755 56.634 1.00 38.12 O HETATM 2361 O HOH 260 7.099 16.686 40.424 1.00 33.07 O HETATM 2362 O HOH 261 14.179 -22.421 36.767 1.00 35.92 O HETATM 2363 O HOH 262 4.446 1.542 31.079 1.00 31.50 O HETATM 2364 O HOH 263 14.019 -18.030 44.117 1.00 42.18 O HETATM 2365 O HOH 264 -0.802 28.013 55.957 1.00 41.51 O HETATM 2366 O HOH 265 12.040 -23.404 40.376 1.00 35.10 O HETATM 2367 O HOH 266 6.437 17.913 64.200 1.00 39.96 O HETATM 2368 O HOH 267 3.360 16.500 61.739 1.00 40.71 O HETATM 2369 O HOH 268 0.936 26.960 63.603 1.00 40.91 O HETATM 2370 O HOH 269 -6.875 -7.733 49.771 1.00 38.73 O HETATM 2371 O HOH 270 6.831 -5.495 26.879 1.00 47.98 O HETATM 2372 O HOH 271 12.883 -9.961 31.404 1.00 33.76 O HETATM 2373 O HOH 272 14.429 20.367 41.294 1.00 47.73 O HETATM 2374 O HOH 273 -9.561 -10.674 45.990 1.00 39.96 O HETATM 2375 O HOH 274 18.186 13.471 38.795 1.00 38.58 O HETATM 2376 O HOH 275 -8.925 -6.646 31.319 1.00 41.89 O HETATM 2377 O HOH 276 1.635 3.089 60.059 1.00 37.88 O HETATM 2378 O HOH 277 11.373 -6.502 26.799 1.00 41.55 O HETATM 2379 O HOH 278 14.404 -13.902 28.979 1.00 31.57 O HETATM 2380 O HOH 279 -1.346 -13.973 27.203 1.00 41.06 O HETATM 2381 O HOH 280 -0.182 27.261 53.063 1.00 34.04 O HETATM 2382 O HOH 281 15.673 12.982 39.000 1.00 32.70 O HETATM 2383 O HOH 282 -4.239 -13.719 27.199 1.00 46.15 O HETATM 2384 O HOH 283 22.291 -12.067 39.282 1.00 43.54 O HETATM 2385 O HOH 284 23.315 4.345 33.817 1.00 31.24 O HETATM 2386 O HOH 285 -3.145 -17.964 39.921 1.00 42.79 O HETATM 2387 O HOH 286 21.427 -5.437 29.517 1.00 50.75 O HETATM 2388 O HOH 287 7.155 11.530 39.515 1.00 32.96 O HETATM 2389 O HOH 288 19.939 -8.361 34.710 1.00 40.40 O HETATM 2390 O HOH 289 1.292 0.739 58.468 1.00 35.96 O HETATM 2391 O HOH 290 18.864 -4.451 54.677 1.00 35.95 O HETATM 2392 O HOH 291 -7.554 -13.652 39.009 1.00 42.26 O HETATM 2393 O HOH 292 -5.464 -7.390 52.143 1.00 42.46 O HETATM 2394 O HOH 293 0.317 23.818 50.755 1.00 42.03 O HETATM 2395 O HOH 294 23.238 -11.738 44.910 1.00 35.48 O HETATM 2396 O HOH 295 -2.447 -7.679 24.005 1.00 36.44 O HETATM 2397 O HOH 296 -3.839 -11.293 28.462 1.00 41.47 O HETATM 2398 O HOH 297 4.532 -3.540 26.540 1.00 35.22 O HETATM 2399 O HOH 298 10.807 -11.061 28.146 1.00 43.13 O HETATM 2400 O HOH 299 1.128 -19.413 53.521 1.00 41.29 O HETATM 2401 O HOH 300 -1.521 -16.504 28.583 1.00 38.23 O HETATM 2402 O HOH 301 20.376 -11.067 31.663 1.00 49.11 O HETATM 2403 O HOH 302 20.335 18.408 55.646 1.00 37.00 O HETATM 2404 O HOH 303 15.070 -19.916 47.662 1.00 37.99 O HETATM 2405 O HOH 304 14.361 16.760 37.867 1.00 38.16 O HETATM 2406 O HOH 305 24.441 -7.867 33.427 1.00 43.00 O HETATM 2407 O HOH 306 6.452 13.960 41.132 1.00 27.92 O HETATM 2408 O HOH 307 22.041 -7.452 36.121 1.00 33.06 O HETATM 2409 O HOH 308 4.521 29.404 65.065 1.00 44.04 O HETATM 2410 O HOH 309 2.027 -10.220 59.711 1.00 46.31 O HETATM 2411 O HOH 310 1.371 17.987 42.946 1.00 46.81 O HETATM 2412 O HOH 311 16.126 -22.408 41.445 1.00 42.00 O HETATM 2413 O HOH 312 22.047 10.349 36.723 1.00 45.72 O HETATM 2414 O HOH 313 21.219 11.128 57.254 1.00 42.55 O HETATM 2415 O HOH 314 4.415 27.571 62.559 1.00 88.93 O HETATM 2416 O HOH 315 16.473 -19.663 43.857 1.00 45.47 O HETATM 2417 O HOH 316 -4.444 7.098 59.040 1.00 47.50 O HETATM 2418 O HOH 317 -4.290 -8.579 22.899 1.00 49.53 O HETATM 2419 O HOH 318 -0.478 -16.000 54.368 1.00 48.80 O HETATM 2420 O HOH 319 3.881 -7.377 25.810 1.00 87.03 O HETATM 2421 O HOH 320 11.295 14.164 38.968 1.00 41.89 O HETATM 2422 O HOH 321 21.811 -14.483 40.472 1.00 42.79 O HETATM 2423 O HOH 322 19.229 -12.925 29.906 1.00 50.79 O HETATM 2424 O HOH 323 11.921 0.066 52.245 1.00 10.79 O HETATM 2425 O HOH 324 12.381 4.699 31.873 1.00 29.02 O HETATM 2426 O HOH 325 11.593 -2.766 28.617 1.00 32.60 O HETATM 2427 O HOH 326 17.235 18.588 47.824 1.00 51.04 O HETATM 2428 O HOH 327 7.662 3.334 32.077 1.00 32.23 O HETATM 2429 O HOH 328 23.346 6.412 49.976 1.00 32.24 O HETATM 2430 O HOH 329 4.195 11.580 64.608 1.00 33.49 O HETATM 2431 O HOH 330 18.750 14.797 57.515 1.00 33.39 O HETATM 2432 O HOH 331 21.926 15.616 45.750 1.00 42.62 O HETATM 2433 O HOH 332 12.929 -6.576 55.338 1.00 24.94 O HETATM 2434 O HOH 333 21.492 15.925 41.712 1.00 38.89 O HETATM 2435 O HOH 334 -0.222 -11.305 58.251 1.00 31.79 O HETATM 2436 O HOH 335 9.018 10.786 35.544 1.00 39.18 O HETATM 2437 O HOH 336 -10.064 -8.556 44.526 1.00 36.19 O HETATM 2438 O HOH 337 19.500 25.396 49.880 1.00 45.06 O HETATM 2439 O HOH 338 -5.967 22.311 55.307 1.00 48.62 O HETATM 2440 O HOH 339 -0.280 5.272 61.156 1.00 39.64 O HETATM 2441 O HOH 340 23.676 14.642 54.356 1.00 50.96 O HETATM 2442 O HOH 341 -5.574 -15.074 41.544 1.00 46.59 O HETATM 2443 O HOH 342 -1.880 11.956 40.139 1.00 43.20 O HETATM 2444 O HOH 343 -4.165 -8.469 29.810 1.00 42.32 O HETATM 2445 O HOH 344 -4.213 12.044 46.013 1.00 41.27 O HETATM 2446 O HOH 345 10.740 -3.681 26.554 1.00 49.22 O HETATM 2447 O HOH 346 23.857 -4.937 27.937 1.00 51.33 O HETATM 2448 O HOH 347 22.827 -12.840 35.958 1.00 44.27 O HETATM 2449 O HOH 348 16.507 -22.276 43.936 1.00 49.41 O HETATM 2450 C1 XBP A 349 6.111 3.207 48.060 1.00 0.15 C HETATM 2451 C2 XBP A 349 5.686 4.630 48.096 1.00 0.17 C HETATM 2452 C3 XBP A 349 6.441 5.719 47.413 1.00 0.16 C HETATM 2453 C4 XBP A 349 7.760 5.928 48.160 1.00 0.12 C HETATM 2454 C5 XBP A 349 8.482 7.241 47.795 1.00 0.11 C HETATM 2455 O5 XBP A 349 8.672 7.401 46.400 1.00 -0.27 O HETATM 2456 P2 XBP A 349 8.150 8.744 45.635 1.00 0.20 P HETATM 2457 O4P XBP A 349 8.857 8.727 44.319 1.00 -0.55 O HETATM 2458 O5P XBP A 349 8.531 9.904 46.522 1.00 -0.55 O HETATM 2459 O6P XBP A 349 6.665 8.572 45.498 1.00 -0.55 O HETATM 2460 H XBP A 349 9.467 7.247 48.285 1.00 0.06 H HETATM 2461 H XBP A 349 7.882 8.085 48.166 1.00 0.06 H HETATM 2462 O4 XBP A 349 7.510 6.008 49.586 1.00 -0.38 O HETATM 2463 H XBP A 349 8.336 6.090 50.047 1.00 0.21 H HETATM 2464 H XBP A 349 8.422 5.077 47.940 1.00 0.07 H HETATM 2465 O3 XBP A 349 5.657 6.914 47.367 1.00 -0.37 O HETATM 2466 H XBP A 349 6.146 7.596 46.921 1.00 0.21 H HETATM 2467 H XBP A 349 6.663 5.410 46.381 1.00 0.09 H HETATM 2468 O2 XBP A 349 4.668 4.955 48.747 1.00 -0.39 O HETATM 2469 O1 XBP A 349 6.723 2.736 46.722 1.00 -0.26 O HETATM 2470 P1 XBP A 349 6.312 1.160 46.151 1.00 0.20 P HETATM 2471 O1P XBP A 349 7.457 0.927 45.251 1.00 -0.55 O HETATM 2472 O2P XBP A 349 6.415 0.367 47.406 1.00 -0.55 O HETATM 2473 O3P XBP A 349 4.936 1.290 45.620 1.00 -0.55 O HETATM 2474 H XBP A 349 5.229 2.583 48.269 1.00 0.09 H HETATM 2475 H XBP A 349 6.862 3.056 48.849 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 74 72 2102 CONECT 87 86 2102 CONECT 1661 1660 2102 CONECT 2102 74 87 1661 CONECT 2450 2451 2469 2474 2475 CONECT 2451 2450 2452 2468 CONECT 2452 2451 2453 2465 2467 CONECT 2453 2452 2454 2462 2464 CONECT 2454 2453 2455 2460 2461 CONECT 2455 2454 2456 CONECT 2456 2455 2457 2458 2459 CONECT 2457 2456 CONECT 2458 2456 CONECT 2459 2456 CONECT 2460 2454 CONECT 2461 2454 CONECT 2462 2453 2463 CONECT 2463 2462 CONECT 2464 2453 CONECT 2465 2452 2466 CONECT 2466 2465 CONECT 2467 2452 CONECT 2468 2451 CONECT 2469 2450 2470 CONECT 2470 2469 2471 2472 2473 CONECT 2471 2470 CONECT 2472 2470 CONECT 2473 2470 CONECT 2474 2450 CONECT 2475 2450 MASTER 0 0 0 0 0 0 0 0 2474 1 34 18 END
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Related entries of code: 4uat
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uau
RCSB PDB
PDBbind
230aa, >4UAU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4uau
RCSB PDB
PDBbind
XBP
Entry Information
PDB ID
4uat
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein CbbY
Ligand Name
XBP
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Ki~1.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) NATURE PLANTS. Vol.1: pp.1-6
Ligand Properties
Formula
C
5
H
1
4
O
1
1
P
2
Molecular Weight
312.106
Exact Mass
312.001
No. of atoms
32
No. of bonds
31
Polar Surface Area
224.55
LOGP Value
-5.14 (
Computed with XLOGP3
)
-3.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
O[C@H](C(=O)COP(O)(O)O)[C@@H](COP(O)(O)O)O
InChI String
InChI=1S/C5H16O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8-14,17-18H,1-2H2/t3-,5+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P95649
Entrez Gene ID
NCBI Entrez Gene ID:
57471609
62880153
ASD
Information of known allosteric effects of PDB entries
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