Browse entries in the PDBbind-CN Database
HEADER 5Y12_COMPLEX COMPND 5Y12_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET UNN A 226 41 ATOM 1 N ARG A -4 -4.119 25.117 7.485 1.00 55.77 N ATOM 2 CA ARG A -4 -5.299 24.544 6.848 1.00 43.36 C ATOM 3 C ARG A -4 -5.632 23.172 7.431 1.00 48.40 C ATOM 4 O ARG A -4 -4.740 22.374 7.728 1.00 52.19 O ATOM 5 CB ARG A -4 -5.102 24.446 5.333 1.00 42.49 C ATOM 6 HN3 ARG A -4 -3.305 24.487 7.336 1.00 0.00 H ATOM 7 HN2 ARG A -4 -4.294 25.223 8.505 1.00 0.00 H ATOM 8 HN1 ARG A -4 -3.919 26.048 7.067 1.00 0.00 H ATOM 9 N GLY A -3 -6.923 22.909 7.601 1.00 44.38 N ATOM 10 CA GLY A -3 -7.383 21.637 8.123 1.00 35.05 C ATOM 11 C GLY A -3 -7.796 20.691 7.011 1.00 34.27 C ATOM 12 O GLY A -3 -7.499 20.931 5.841 1.00 36.39 O ATOM 13 H GLY A -3 -7.624 23.636 7.353 1.00 0.00 H ATOM 14 N SER A -2 -8.494 19.621 7.383 1.00 32.68 N ATOM 15 CA SER A -2 -8.879 18.576 6.436 1.00 27.12 C ATOM 16 C SER A -2 -9.857 19.050 5.360 1.00 27.87 C ATOM 17 O SER A -2 -10.583 20.029 5.534 1.00 31.80 O ATOM 18 CB SER A -2 -9.490 17.385 7.178 1.00 26.76 C ATOM 19 OG SER A -2 -8.639 16.924 8.213 1.00 33.30 O ATOM 20 HG SER A -2 -9.064 16.156 8.670 1.00 0.00 H ATOM 21 H SER A -2 -8.775 19.525 8.380 1.00 0.00 H ATOM 22 N HIS A -1 -9.860 18.332 4.243 1.00 27.33 N ATOM 23 CA HIS A -1 -10.845 18.529 3.189 1.00 34.01 C ATOM 24 C HIS A -1 -11.356 17.161 2.759 1.00 28.02 C ATOM 25 O HIS A -1 -10.635 16.173 2.863 1.00 24.10 O ATOM 26 CB HIS A -1 -10.233 19.280 2.004 1.00 30.27 C ATOM 27 CG HIS A -1 -10.135 20.761 2.215 1.00 42.04 C ATOM 28 ND1 HIS A -1 -9.167 21.338 3.010 1.00 49.94 N ATOM 29 CD2 HIS A -1 -10.894 21.780 1.746 1.00 41.39 C ATOM 30 CE1 HIS A -1 -9.330 22.651 3.014 1.00 41.70 C ATOM 31 NE2 HIS A -1 -10.370 22.945 2.257 1.00 47.48 N ATOM 32 H HIS A -1 -9.131 17.601 4.116 1.00 0.00 H ATOM 33 N MET A 0 -12.601 17.098 2.294 1.00 30.32 N ATOM 34 CA MET A 0 -13.185 15.822 1.888 1.00 23.98 C ATOM 35 C MET A 0 -12.326 15.145 0.817 1.00 25.85 C ATOM 36 O MET A 0 -12.197 13.920 0.803 1.00 23.13 O ATOM 37 CB MET A 0 -14.635 16.012 1.419 1.00 23.50 C ATOM 38 CG MET A 0 -15.318 14.731 0.982 1.00 21.76 C ATOM 39 SD MET A 0 -15.050 14.403 -0.774 1.00 29.48 S ATOM 40 CE MET A 0 -16.082 15.692 -1.462 1.00 32.23 C ATOM 41 H MET A 0 -13.166 17.968 2.219 1.00 0.00 H ATOM 42 N CYS A 1 -11.718 15.955 -0.049 1.00 21.53 N ATOM 43 CA CYS A 1 -10.836 15.483 -1.120 1.00 22.56 C ATOM 44 C CYS A 1 -9.604 14.737 -0.597 1.00 23.83 C ATOM 45 O CYS A 1 -8.909 14.046 -1.349 1.00 19.62 O ATOM 46 CB CYS A 1 -10.384 16.669 -1.980 1.00 26.55 C ATOM 47 SG CYS A 1 -10.793 16.560 -3.740 1.00 27.67 S ATOM 48 H CYS A 1 -11.878 16.979 0.040 1.00 0.00 H ATOM 49 N ASP A 2 -9.310 14.892 0.690 1.00 16.85 N ATOM 50 CA ASP A 2 -8.154 14.207 1.260 1.00 21.07 C ATOM 51 C ASP A 2 -8.290 12.683 1.172 1.00 17.83 C ATOM 52 O ASP A 2 -7.298 11.965 1.296 1.00 17.66 O ATOM 53 CB ASP A 2 -7.900 14.650 2.707 1.00 25.16 C ATOM 54 CG ASP A 2 -7.461 16.101 2.807 1.00 25.26 C ATOM 55 OD1 ASP A 2 -6.956 16.655 1.804 1.00 27.26 O ATOM 56 OD2 ASP A 2 -7.617 16.692 3.894 1.00 27.51 O ATOM 57 H ASP A 2 -9.903 15.500 1.290 1.00 0.00 H ATOM 58 N ALA A 3 -9.510 12.194 0.936 1.00 16.33 N ATOM 59 CA ALA A 3 -9.752 10.757 0.790 1.00 19.01 C ATOM 60 C ALA A 3 -9.080 10.178 -0.457 1.00 16.53 C ATOM 61 O ALA A 3 -8.895 8.956 -0.572 1.00 15.90 O ATOM 62 CB ALA A 3 -11.251 10.469 0.747 1.00 22.06 C ATOM 63 H ALA A 3 -10.311 12.852 0.854 1.00 0.00 H ATOM 64 N PHE A 4 -8.744 11.046 -1.406 1.00 13.31 N ATOM 65 CA PHE A 4 -8.066 10.603 -2.614 1.00 11.97 C ATOM 66 C PHE A 4 -6.561 10.649 -2.453 1.00 13.59 C ATOM 67 O PHE A 4 -5.835 10.091 -3.263 1.00 12.35 O ATOM 68 CB PHE A 4 -8.453 11.479 -3.812 1.00 12.70 C ATOM 69 CG PHE A 4 -9.884 11.346 -4.220 1.00 17.02 C ATOM 70 CD1 PHE A 4 -10.281 10.326 -5.067 1.00 13.71 C ATOM 71 CD2 PHE A 4 -10.833 12.247 -3.767 1.00 17.65 C ATOM 72 CE1 PHE A 4 -11.600 10.204 -5.450 1.00 14.41 C ATOM 73 CE2 PHE A 4 -12.155 12.128 -4.144 1.00 16.79 C ATOM 74 CZ PHE A 4 -12.539 11.109 -4.989 1.00 15.27 C ATOM 75 H PHE A 4 -8.969 12.054 -1.283 1.00 0.00 H ATOM 76 N VAL A 5 -6.090 11.330 -1.417 1.00 11.79 N ATOM 77 CA VAL A 5 -4.667 11.595 -1.281 1.00 11.24 C ATOM 78 C VAL A 5 -3.883 10.331 -0.961 1.00 14.05 C ATOM 79 O VAL A 5 -4.274 9.564 -0.086 1.00 13.01 O ATOM 80 CB VAL A 5 -4.416 12.655 -0.200 1.00 18.26 C ATOM 81 CG1 VAL A 5 -2.939 12.743 0.140 1.00 18.51 C ATOM 82 CG2 VAL A 5 -4.940 13.996 -0.689 1.00 13.60 C ATOM 83 H VAL A 5 -6.748 11.679 -0.691 1.00 0.00 H ATOM 84 N GLY A 6 -2.781 10.116 -1.671 1.00 12.67 N ATOM 85 CA GLY A 6 -1.947 8.957 -1.403 1.00 12.68 C ATOM 86 C GLY A 6 -1.267 8.384 -2.630 1.00 11.80 C ATOM 87 O GLY A 6 -1.215 9.009 -3.693 1.00 13.80 O ATOM 88 H GLY A 6 -2.513 10.782 -2.424 1.00 0.00 H ATOM 89 N THR A 7 -0.744 7.172 -2.476 1.00 11.80 N ATOM 90 CA THR A 7 -0.057 6.489 -3.567 1.00 11.83 C ATOM 91 C THR A 7 -0.865 5.240 -3.909 1.00 13.91 C ATOM 92 O THR A 7 -1.176 4.429 -3.032 1.00 16.98 O ATOM 93 CB THR A 7 1.379 6.094 -3.168 1.00 17.65 C ATOM 94 OG1 THR A 7 2.049 7.224 -2.593 1.00 23.62 O ATOM 95 CG2 THR A 7 2.164 5.610 -4.374 1.00 18.74 C ATOM 96 HG1 THR A 7 2.970 6.966 -2.339 1.00 0.00 H ATOM 97 H THR A 7 -0.827 6.698 -1.554 1.00 0.00 H ATOM 98 N TRP A 8 -1.213 5.101 -5.186 1.00 10.25 N ATOM 99 CA TRP A 8 -2.152 4.085 -5.629 1.00 12.46 C ATOM 100 C TRP A 8 -1.509 3.269 -6.741 1.00 12.88 C ATOM 101 O TRP A 8 -0.675 3.789 -7.485 1.00 15.05 O ATOM 102 CB TRP A 8 -3.434 4.746 -6.166 1.00 11.10 C ATOM 103 CG TRP A 8 -4.147 5.612 -5.161 1.00 11.14 C ATOM 104 CD1 TRP A 8 -3.982 6.953 -4.962 1.00 12.13 C ATOM 105 CD2 TRP A 8 -5.138 5.187 -4.223 1.00 10.17 C ATOM 106 NE1 TRP A 8 -4.807 7.392 -3.943 1.00 12.41 N ATOM 107 CE2 TRP A 8 -5.535 6.323 -3.484 1.00 11.89 C ATOM 108 CE3 TRP A 8 -5.731 3.956 -3.937 1.00 12.41 C ATOM 109 CZ2 TRP A 8 -6.492 6.259 -2.473 1.00 15.26 C ATOM 110 CZ3 TRP A 8 -6.687 3.899 -2.926 1.00 13.84 C ATOM 111 CH2 TRP A 8 -7.051 5.043 -2.209 1.00 15.78 C ATOM 112 HE1 TRP A 8 -4.866 8.367 -3.585 1.00 0.00 H ATOM 113 H TRP A 8 -0.798 5.742 -5.892 1.00 0.00 H ATOM 114 N LYS A 9 -1.884 1.996 -6.850 1.00 11.57 N ATOM 115 CA LYS A 9 -1.395 1.141 -7.942 1.00 10.91 C ATOM 116 C LYS A 9 -2.547 0.433 -8.651 1.00 10.16 C ATOM 117 O LYS A 9 -3.476 -0.038 -8.018 1.00 13.74 O ATOM 118 CB LYS A 9 -0.394 0.106 -7.424 1.00 11.90 C ATOM 119 CG LYS A 9 -0.950 -0.819 -6.372 1.00 14.44 C ATOM 120 CD LYS A 9 -0.060 -2.041 -6.182 1.00 28.66 C ATOM 121 CE LYS A 9 -0.696 -3.046 -5.230 1.00 32.15 C ATOM 122 NZ LYS A 9 -0.695 -2.549 -3.824 1.00 39.87 N ATOM 123 HZ1 LYS A 9 0.285 -2.381 -3.518 1.00 0.00 H ATOM 124 HZ2 LYS A 9 -1.233 -1.661 -3.771 1.00 0.00 H ATOM 125 HZ3 LYS A 9 -1.136 -3.260 -3.206 1.00 0.00 H ATOM 126 H LYS A 9 -2.538 1.597 -6.147 1.00 0.00 H ATOM 127 N LEU A 10 -2.492 0.389 -9.976 1.00 9.71 N ATOM 128 CA LEU A 10 -3.553 -0.208 -10.773 1.00 9.36 C ATOM 129 C LEU A 10 -3.588 -1.717 -10.567 1.00 12.59 C ATOM 130 O LEU A 10 -2.583 -2.388 -10.778 1.00 15.82 O ATOM 131 CB LEU A 10 -3.306 0.077 -12.256 1.00 13.70 C ATOM 132 CG LEU A 10 -4.386 -0.472 -13.185 1.00 14.10 C ATOM 133 CD1 LEU A 10 -5.669 0.335 -13.011 1.00 12.66 C ATOM 134 CD2 LEU A 10 -3.928 -0.463 -14.635 1.00 18.60 C ATOM 135 H LEU A 10 -1.665 0.794 -10.460 1.00 0.00 H ATOM 136 N VAL A 11 -4.737 -2.249 -10.164 1.00 9.00 N ATOM 137 CA VAL A 11 -4.852 -3.691 -9.952 1.00 14.55 C ATOM 138 C VAL A 11 -5.782 -4.386 -10.952 1.00 21.91 C ATOM 139 O VAL A 11 -5.701 -5.601 -11.135 1.00 17.57 O ATOM 140 CB VAL A 11 -5.260 -4.033 -8.500 1.00 16.89 C ATOM 141 CG1 VAL A 11 -4.207 -3.526 -7.530 1.00 15.29 C ATOM 142 CG2 VAL A 11 -6.632 -3.455 -8.165 1.00 18.48 C ATOM 143 H VAL A 11 -5.560 -1.635 -9.998 1.00 0.00 H ATOM 144 N SER A 12 -6.651 -3.623 -11.610 1.00 12.52 N ATOM 145 CA SER A 12 -7.530 -4.205 -12.623 1.00 17.24 C ATOM 146 C SER A 12 -8.012 -3.178 -13.630 1.00 16.81 C ATOM 147 O SER A 12 -8.129 -1.990 -13.334 1.00 12.48 O ATOM 148 CB SER A 12 -8.727 -4.926 -11.996 1.00 15.04 C ATOM 149 OG SER A 12 -9.621 -4.022 -11.388 1.00 22.25 O ATOM 150 HG SER A 12 -9.960 -3.388 -12.068 1.00 0.00 H ATOM 151 H SER A 12 -6.705 -2.605 -11.402 1.00 0.00 H ATOM 152 N SER A 13 -8.284 -3.658 -14.833 1.00 14.35 N ATOM 153 CA SER A 13 -8.714 -2.797 -15.922 1.00 12.61 C ATOM 154 C SER A 13 -9.681 -3.595 -16.771 1.00 19.31 C ATOM 155 O SER A 13 -9.389 -4.729 -17.136 1.00 19.62 O ATOM 156 CB SER A 13 -7.506 -2.366 -16.757 1.00 15.97 C ATOM 157 OG SER A 13 -7.884 -1.508 -17.814 1.00 15.75 O ATOM 158 HG SER A 13 -8.523 -1.978 -18.407 1.00 0.00 H ATOM 159 H SER A 13 -8.187 -4.679 -15.004 1.00 0.00 H ATOM 160 N GLU A 14 -10.837 -3.015 -17.063 1.00 13.62 N ATOM 161 CA GLU A 14 -11.827 -3.672 -17.900 1.00 17.32 C ATOM 162 C GLU A 14 -12.266 -2.736 -19.016 1.00 14.64 C ATOM 163 O GLU A 14 -12.582 -1.562 -18.769 1.00 12.57 O ATOM 164 CB GLU A 14 -13.044 -4.110 -17.075 1.00 20.11 C ATOM 165 CG GLU A 14 -12.808 -5.310 -16.163 1.00 31.80 C ATOM 166 CD GLU A 14 -12.928 -6.649 -16.883 1.00 39.77 C ATOM 167 OE1 GLU A 14 -13.402 -6.678 -18.042 1.00 41.25 O ATOM 168 OE2 GLU A 14 -12.552 -7.680 -16.284 1.00 50.01 O ATOM 169 H GLU A 14 -11.040 -2.068 -16.684 1.00 0.00 H ATOM 170 N ASN A 15 -12.239 -3.269 -20.237 1.00 12.07 N ATOM 171 CA ASN A 15 -12.746 -2.576 -21.423 1.00 15.46 C ATOM 172 C ASN A 15 -11.947 -1.334 -21.808 1.00 12.99 C ATOM 173 O ASN A 15 -12.442 -0.484 -22.539 1.00 12.79 O ATOM 174 CB ASN A 15 -14.230 -2.213 -21.258 1.00 16.49 C ATOM 175 CG ASN A 15 -15.005 -2.295 -22.565 1.00 16.88 C ATOM 176 OD1 ASN A 15 -14.758 -3.173 -23.392 1.00 16.31 O ATOM 177 ND2 ASN A 15 -15.947 -1.377 -22.757 1.00 15.78 N ATOM 178 HD22 ASN A 15 -16.123 -0.653 -22.032 1.00 0.00 H ATOM 179 HD21 ASN A 15 -16.508 -1.383 -23.633 1.00 0.00 H ATOM 180 H ASN A 15 -11.839 -4.222 -20.353 1.00 0.00 H ATOM 181 N PHE A 16 -10.712 -1.229 -21.325 1.00 12.68 N ATOM 182 CA PHE A 16 -9.909 -0.040 -21.626 1.00 14.53 C ATOM 183 C PHE A 16 -9.521 0.036 -23.099 1.00 16.59 C ATOM 184 O PHE A 16 -9.392 1.134 -23.654 1.00 13.45 O ATOM 185 CB PHE A 16 -8.656 0.050 -20.751 1.00 11.67 C ATOM 186 CG PHE A 16 -8.038 1.437 -20.707 1.00 15.55 C ATOM 187 CD1 PHE A 16 -8.782 2.527 -20.286 1.00 13.60 C ATOM 188 CD2 PHE A 16 -6.707 1.638 -21.058 1.00 14.16 C ATOM 189 CE1 PHE A 16 -8.213 3.800 -20.221 1.00 12.26 C ATOM 190 CE2 PHE A 16 -6.132 2.902 -20.997 1.00 13.87 C ATOM 191 CZ PHE A 16 -6.887 3.982 -20.585 1.00 12.57 C ATOM 192 H PHE A 16 -10.317 -1.989 -20.735 1.00 0.00 H ATOM 193 N ASP A 17 -9.325 -1.113 -23.744 1.00 12.16 N ATOM 194 CA ASP A 17 -8.964 -1.064 -25.159 1.00 14.53 C ATOM 195 C ASP A 17 -10.104 -0.487 -25.996 1.00 15.60 C ATOM 196 O ASP A 17 -9.877 0.338 -26.882 1.00 13.67 O ATOM 197 CB ASP A 17 -8.557 -2.441 -25.691 1.00 16.77 C ATOM 198 CG ASP A 17 -8.098 -2.391 -27.141 1.00 22.88 C ATOM 199 OD1 ASP A 17 -8.784 -2.973 -28.007 1.00 32.54 O ATOM 200 OD2 ASP A 17 -7.058 -1.761 -27.421 1.00 25.41 O ATOM 201 H ASP A 17 -9.427 -2.024 -23.252 1.00 0.00 H ATOM 202 N ASP A 18 -11.328 -0.915 -25.700 1.00 16.67 N ATOM 203 CA ASP A 18 -12.497 -0.428 -26.424 1.00 15.35 C ATOM 204 C ASP A 18 -12.744 1.056 -26.136 1.00 16.78 C ATOM 205 O ASP A 18 -13.138 1.817 -27.036 1.00 13.03 O ATOM 206 CB ASP A 18 -13.726 -1.273 -26.084 1.00 15.62 C ATOM 207 CG ASP A 18 -13.694 -2.649 -26.754 1.00 22.00 C ATOM 208 OD1 ASP A 18 -13.137 -2.762 -27.864 1.00 33.71 O ATOM 209 OD2 ASP A 18 -14.223 -3.611 -26.170 1.00 39.31 O ATOM 210 H ASP A 18 -11.454 -1.611 -24.937 1.00 0.00 H ATOM 211 N TYR A 19 -12.500 1.464 -24.890 1.00 13.47 N ATOM 212 CA TYR A 19 -12.574 2.884 -24.535 1.00 7.06 C ATOM 213 C TYR A 19 -11.577 3.685 -25.349 1.00 8.93 C ATOM 214 O TYR A 19 -11.938 4.685 -25.963 1.00 11.39 O ATOM 215 CB TYR A 19 -12.329 3.119 -23.038 1.00 8.11 C ATOM 216 CG TYR A 19 -12.156 4.589 -22.689 1.00 9.51 C ATOM 217 CD1 TYR A 19 -13.258 5.439 -22.578 1.00 11.07 C ATOM 218 CD2 TYR A 19 -10.889 5.123 -22.459 1.00 8.81 C ATOM 219 CE1 TYR A 19 -13.099 6.777 -22.255 1.00 11.11 C ATOM 220 CE2 TYR A 19 -10.721 6.468 -22.147 1.00 7.51 C ATOM 221 CZ TYR A 19 -11.825 7.284 -22.042 1.00 11.31 C ATOM 222 OH TYR A 19 -11.646 8.616 -21.727 1.00 10.21 O ATOM 223 HH TYR A 19 -12.527 9.066 -21.689 1.00 0.00 H ATOM 224 H TYR A 19 -12.254 0.765 -24.160 1.00 0.00 H ATOM 225 N MET A 20 -10.324 3.232 -25.375 1.00 10.47 N ATOM 226 CA MET A 20 -9.305 3.917 -26.165 1.00 10.81 C ATOM 227 C MET A 20 -9.659 3.971 -27.648 1.00 11.15 C ATOM 228 O MET A 20 -9.408 4.981 -28.306 1.00 10.12 O ATOM 229 CB MET A 20 -7.930 3.274 -25.981 1.00 9.91 C ATOM 230 CG MET A 20 -7.346 3.482 -24.580 1.00 13.87 C ATOM 231 SD MET A 20 -5.627 2.957 -24.535 1.00 11.14 S ATOM 232 CE MET A 20 -5.816 1.181 -24.678 1.00 10.33 C ATOM 233 H MET A 20 -10.070 2.384 -24.829 1.00 0.00 H ATOM 234 N LYS A 21 -10.237 2.898 -28.175 1.00 10.71 N ATOM 235 CA LYS A 21 -10.668 2.919 -29.583 1.00 11.87 C ATOM 236 C LYS A 21 -11.664 4.049 -29.812 1.00 13.69 C ATOM 237 O LYS A 21 -11.572 4.796 -30.796 1.00 16.02 O ATOM 238 CB LYS A 21 -11.325 1.597 -29.975 1.00 17.08 C ATOM 239 CG LYS A 21 -10.372 0.431 -30.172 1.00 17.26 C ATOM 240 CD LYS A 21 -11.180 -0.805 -30.530 1.00 17.99 C ATOM 241 CE LYS A 21 -10.333 -2.049 -30.588 1.00 31.81 C ATOM 242 NZ LYS A 21 -11.181 -3.211 -30.972 1.00 36.27 N ATOM 243 HZ1 LYS A 21 -11.934 -3.337 -30.266 1.00 0.00 H ATOM 244 HZ2 LYS A 21 -11.605 -3.036 -31.906 1.00 0.00 H ATOM 245 HZ3 LYS A 21 -10.594 -4.069 -31.011 1.00 0.00 H ATOM 246 H LYS A 21 -10.385 2.047 -27.596 1.00 0.00 H ATOM 247 N GLU A 22 -12.610 4.177 -28.888 1.00 12.06 N ATOM 248 CA GLU A 22 -13.673 5.165 -29.010 1.00 15.43 C ATOM 249 C GLU A 22 -13.107 6.574 -28.928 1.00 16.29 C ATOM 250 O GLU A 22 -13.605 7.494 -29.584 1.00 18.07 O ATOM 251 CB GLU A 22 -14.727 4.937 -27.921 1.00 17.13 C ATOM 252 CG GLU A 22 -16.107 5.465 -28.254 1.00 24.23 C ATOM 253 CD GLU A 22 -16.787 4.692 -29.373 1.00 27.81 C ATOM 254 OE1 GLU A 22 -16.302 3.603 -29.750 1.00 25.32 O ATOM 255 OE2 GLU A 22 -17.819 5.179 -29.876 1.00 40.29 O ATOM 256 H GLU A 22 -12.591 3.555 -28.055 1.00 0.00 H ATOM 257 N VAL A 23 -12.061 6.737 -28.121 1.00 15.12 N ATOM 258 CA VAL A 23 -11.384 8.019 -27.968 1.00 10.28 C ATOM 259 C VAL A 23 -10.622 8.384 -29.235 1.00 15.88 C ATOM 260 O VAL A 23 -10.443 9.559 -29.538 1.00 16.00 O ATOM 261 CB VAL A 23 -10.438 7.998 -26.727 1.00 12.91 C ATOM 262 CG1 VAL A 23 -9.465 9.166 -26.723 1.00 10.58 C ATOM 263 CG2 VAL A 23 -11.260 7.993 -25.456 1.00 12.91 C ATOM 264 H VAL A 23 -11.714 5.920 -27.580 1.00 0.00 H ATOM 265 N GLY A 24 -10.201 7.369 -29.986 1.00 15.48 N ATOM 266 CA GLY A 24 -9.514 7.581 -31.251 1.00 14.09 C ATOM 267 C GLY A 24 -8.033 7.255 -31.202 1.00 18.29 C ATOM 268 O GLY A 24 -7.272 7.649 -32.081 1.00 14.08 O ATOM 269 H GLY A 24 -10.368 6.396 -29.659 1.00 0.00 H ATOM 270 N VAL A 25 -7.626 6.529 -30.165 1.00 11.31 N ATOM 271 CA VAL A 25 -6.226 6.165 -29.966 1.00 8.69 C ATOM 272 C VAL A 25 -5.772 5.163 -31.019 1.00 12.32 C ATOM 273 O VAL A 25 -6.481 4.200 -31.302 1.00 11.21 O ATOM 274 CB VAL A 25 -6.019 5.554 -28.560 1.00 13.28 C ATOM 275 CG1 VAL A 25 -4.549 5.231 -28.318 1.00 12.22 C ATOM 276 CG2 VAL A 25 -6.552 6.509 -27.481 1.00 13.56 C ATOM 277 H VAL A 25 -8.331 6.209 -29.470 1.00 0.00 H ATOM 278 N GLY A 26 -4.590 5.391 -31.582 1.00 14.14 N ATOM 279 CA GLY A 26 -4.072 4.546 -32.645 1.00 15.91 C ATOM 280 C GLY A 26 -3.630 3.189 -32.139 1.00 17.78 C ATOM 281 O GLY A 26 -3.442 2.997 -30.940 1.00 14.39 O ATOM 282 H GLY A 26 -4.020 6.196 -31.253 1.00 0.00 H ATOM 283 N PHE A 27 -3.446 2.252 -33.063 1.00 13.31 N ATOM 284 CA PHE A 27 -3.134 0.873 -32.714 1.00 13.24 C ATOM 285 C PHE A 27 -1.940 0.726 -31.761 1.00 12.23 C ATOM 286 O PHE A 27 -2.061 0.127 -30.682 1.00 14.34 O ATOM 287 CB PHE A 27 -2.875 0.066 -33.988 1.00 13.95 C ATOM 288 CG PHE A 27 -2.506 -1.356 -33.729 1.00 14.61 C ATOM 289 CD1 PHE A 27 -3.488 -2.327 -33.620 1.00 17.81 C ATOM 290 CD2 PHE A 27 -1.178 -1.727 -33.596 1.00 15.27 C ATOM 291 CE1 PHE A 27 -3.154 -3.651 -33.369 1.00 18.88 C ATOM 292 CE2 PHE A 27 -0.836 -3.046 -33.331 1.00 13.29 C ATOM 293 CZ PHE A 27 -1.828 -4.008 -33.226 1.00 14.39 C ATOM 294 H PHE A 27 -3.527 2.512 -34.067 1.00 0.00 H ATOM 295 N ALA A 28 -0.789 1.248 -32.173 1.00 14.61 N ATOM 296 CA ALA A 28 0.450 1.038 -31.427 1.00 14.78 C ATOM 297 C ALA A 28 0.370 1.664 -30.037 1.00 16.87 C ATOM 298 O ALA A 28 0.800 1.067 -29.042 1.00 11.95 O ATOM 299 CB ALA A 28 1.649 1.578 -32.205 1.00 16.50 C ATOM 300 H ALA A 28 -0.770 1.817 -33.043 1.00 0.00 H ATOM 301 N THR A 29 -0.212 2.853 -29.959 1.00 10.64 N ATOM 302 CA THR A 29 -0.432 3.467 -28.650 1.00 11.79 C ATOM 303 C THR A 29 -1.375 2.655 -27.768 1.00 15.20 C ATOM 304 O THR A 29 -1.107 2.490 -26.575 1.00 12.85 O ATOM 305 CB THR A 29 -0.927 4.922 -28.791 1.00 12.41 C ATOM 306 OG1 THR A 29 0.033 5.657 -29.554 1.00 16.41 O ATOM 307 CG2 THR A 29 -1.068 5.575 -27.429 1.00 15.11 C ATOM 308 HG1 THR A 29 0.128 5.244 -30.449 1.00 0.00 H ATOM 309 H THR A 29 -0.511 3.346 -30.824 1.00 0.00 H ATOM 310 N ARG A 30 -2.465 2.140 -28.341 1.00 10.69 N ATOM 311 CA ARG A 30 -3.400 1.321 -27.569 1.00 11.62 C ATOM 312 C ARG A 30 -2.700 0.098 -26.994 1.00 13.19 C ATOM 313 O ARG A 30 -2.900 -0.251 -25.833 1.00 11.82 O ATOM 314 CB ARG A 30 -4.591 0.841 -28.414 1.00 12.39 C ATOM 315 CG ARG A 30 -5.661 1.889 -28.697 1.00 15.90 C ATOM 316 CD ARG A 30 -7.029 1.242 -28.960 1.00 15.34 C ATOM 317 NE ARG A 30 -6.957 0.063 -29.832 1.00 15.22 N ATOM 318 CZ ARG A 30 -6.845 0.108 -31.157 1.00 21.40 C ATOM 319 NH1 ARG A 30 -6.780 1.276 -31.795 1.00 15.17 N ATOM 320 NH2 ARG A 30 -6.788 -1.023 -31.853 1.00 17.13 N ATOM 321 HE ARG A 30 -6.996 -0.874 -29.382 1.00 0.00 H ATOM 322 HH12 ARG A 30 -6.693 1.298 -32.831 1.00 0.00 H ATOM 323 HH11 ARG A 30 -6.817 2.165 -31.257 1.00 0.00 H ATOM 324 HH22 ARG A 30 -6.700 -0.992 -32.889 1.00 0.00 H ATOM 325 HH21 ARG A 30 -6.831 -1.939 -31.362 1.00 0.00 H ATOM 326 H ARG A 30 -2.652 2.323 -29.348 1.00 0.00 H ATOM 327 N LYS A 31 -1.884 -0.561 -27.808 1.00 12.38 N ATOM 328 CA LYS A 31 -1.217 -1.783 -27.355 1.00 12.58 C ATOM 329 C LYS A 31 -0.256 -1.506 -26.205 1.00 13.15 C ATOM 330 O LYS A 31 -0.264 -2.208 -25.187 1.00 13.81 O ATOM 331 CB LYS A 31 -0.487 -2.466 -28.517 1.00 16.88 C ATOM 332 CG LYS A 31 -1.430 -2.989 -29.592 1.00 19.60 C ATOM 333 CD LYS A 31 -2.475 -3.908 -28.972 1.00 17.34 C ATOM 334 CE LYS A 31 -3.618 -4.177 -29.928 1.00 32.60 C ATOM 335 NZ LYS A 31 -4.724 -4.915 -29.267 1.00 40.42 N ATOM 336 HZ1 LYS A 31 -4.369 -5.827 -28.915 1.00 0.00 H ATOM 337 HZ2 LYS A 31 -5.087 -4.353 -28.471 1.00 0.00 H ATOM 338 HZ3 LYS A 31 -5.488 -5.080 -29.953 1.00 0.00 H ATOM 339 H LYS A 31 -1.718 -0.208 -28.772 1.00 0.00 H ATOM 340 N VAL A 32 0.575 -0.487 -26.364 1.00 11.05 N ATOM 341 CA VAL A 32 1.566 -0.159 -25.349 1.00 12.17 C ATOM 342 C VAL A 32 0.915 0.449 -24.099 1.00 12.50 C ATOM 343 O VAL A 32 1.264 0.084 -22.977 1.00 11.96 O ATOM 344 CB VAL A 32 2.667 0.776 -25.914 1.00 11.95 C ATOM 345 CG1 VAL A 32 3.619 1.207 -24.810 1.00 22.45 C ATOM 346 CG2 VAL A 32 3.437 0.062 -27.019 1.00 18.07 C ATOM 347 H VAL A 32 0.519 0.089 -27.228 1.00 0.00 H ATOM 348 N ALA A 33 -0.039 1.356 -24.291 1.00 10.79 N ATOM 349 CA ALA A 33 -0.765 1.956 -23.158 1.00 12.39 C ATOM 350 C ALA A 33 -1.574 0.932 -22.373 1.00 10.41 C ATOM 351 O ALA A 33 -1.656 0.997 -21.143 1.00 13.53 O ATOM 352 CB ALA A 33 -1.671 3.086 -23.625 1.00 13.56 C ATOM 353 H ALA A 33 -0.277 1.647 -25.260 1.00 0.00 H ATOM 354 N GLY A 34 -2.168 -0.017 -23.084 1.00 10.66 N ATOM 355 CA GLY A 34 -2.952 -1.065 -22.456 1.00 12.94 C ATOM 356 C GLY A 34 -2.158 -1.962 -21.527 1.00 14.35 C ATOM 357 O GLY A 34 -2.712 -2.508 -20.577 1.00 14.36 O ATOM 358 H GLY A 34 -2.069 -0.010 -24.119 1.00 0.00 H ATOM 359 N MET A 35 -0.860 -2.109 -21.793 1.00 11.52 N ATOM 360 CA MET A 35 -0.008 -2.948 -20.960 1.00 11.77 C ATOM 361 C MET A 35 0.333 -2.278 -19.639 1.00 12.49 C ATOM 362 O MET A 35 0.657 -2.960 -18.679 1.00 12.18 O ATOM 363 CB MET A 35 1.301 -3.310 -21.671 1.00 13.13 C ATOM 364 CG MET A 35 1.138 -4.217 -22.885 1.00 11.33 C ATOM 365 SD MET A 35 0.530 -5.859 -22.467 1.00 14.38 S ATOM 366 CE MET A 35 1.753 -6.424 -21.301 1.00 17.66 C ATOM 367 H MET A 35 -0.448 -1.616 -22.610 1.00 0.00 H ATOM 368 N ALA A 36 0.264 -0.951 -19.604 1.00 12.10 N ATOM 369 CA ALA A 36 0.759 -0.197 -18.462 1.00 12.68 C ATOM 370 C ALA A 36 -0.002 -0.504 -17.187 1.00 14.91 C ATOM 371 O ALA A 36 -1.223 -0.639 -17.192 1.00 13.17 O ATOM 372 CB ALA A 36 0.718 1.302 -18.747 1.00 11.90 C ATOM 373 H ALA A 36 -0.152 -0.441 -20.409 1.00 0.00 H ATOM 374 N LYS A 37 0.739 -0.605 -16.093 1.00 10.84 N ATOM 375 CA LYS A 37 0.151 -0.751 -14.774 1.00 9.96 C ATOM 376 C LYS A 37 0.651 0.416 -13.938 1.00 13.82 C ATOM 377 O LYS A 37 1.585 0.268 -13.164 1.00 12.07 O ATOM 378 CB LYS A 37 0.573 -2.085 -14.152 1.00 13.80 C ATOM 379 CG LYS A 37 -0.021 -3.293 -14.852 1.00 20.57 C ATOM 380 CD LYS A 37 -1.488 -3.457 -14.497 1.00 26.91 C ATOM 381 CE LYS A 37 -2.006 -4.848 -14.883 1.00 39.87 C ATOM 382 NZ LYS A 37 -2.025 -5.074 -16.358 1.00 31.77 N ATOM 383 HZ1 LYS A 37 -2.644 -4.370 -16.807 1.00 0.00 H ATOM 384 HZ2 LYS A 37 -1.060 -4.980 -16.734 1.00 0.00 H ATOM 385 HZ3 LYS A 37 -2.384 -6.030 -16.556 1.00 0.00 H ATOM 386 H LYS A 37 1.775 -0.579 -16.182 1.00 0.00 H ATOM 387 N PRO A 38 0.042 1.599 -14.119 1.00 12.05 N ATOM 388 CA PRO A 38 0.582 2.828 -13.527 1.00 11.57 C ATOM 389 C PRO A 38 0.427 2.899 -12.009 1.00 11.50 C ATOM 390 O PRO A 38 -0.436 2.246 -11.431 1.00 11.75 O ATOM 391 CB PRO A 38 -0.276 3.930 -14.156 1.00 12.90 C ATOM 392 CG PRO A 38 -0.968 3.285 -15.329 1.00 13.53 C ATOM 393 CD PRO A 38 -1.164 1.865 -14.919 1.00 11.67 C ATOM 394 N ASN A 39 1.299 3.686 -11.394 1.00 10.53 N ATOM 395 CA ASN A 39 1.096 4.180 -10.035 1.00 10.76 C ATOM 396 C ASN A 39 0.543 5.591 -10.139 1.00 12.01 C ATOM 397 O ASN A 39 0.977 6.374 -10.977 1.00 16.81 O ATOM 398 CB ASN A 39 2.410 4.219 -9.261 1.00 14.78 C ATOM 399 CG ASN A 39 2.693 2.927 -8.513 1.00 26.46 C ATOM 400 OD1 ASN A 39 2.196 1.859 -8.872 1.00 20.78 O ATOM 401 ND2 ASN A 39 3.489 3.024 -7.454 1.00 33.73 N ATOM 402 HD22 ASN A 39 3.888 3.946 -7.186 1.00 0.00 H ATOM 403 HD21 ASN A 39 3.714 2.178 -6.893 1.00 0.00 H ATOM 404 H ASN A 39 2.164 3.963 -11.901 1.00 0.00 H ATOM 405 N MET A 40 -0.411 5.920 -9.283 1.00 12.52 N ATOM 406 CA MET A 40 -0.975 7.257 -9.273 1.00 12.19 C ATOM 407 C MET A 40 -0.701 7.868 -7.910 1.00 10.03 C ATOM 408 O MET A 40 -0.940 7.236 -6.892 1.00 12.53 O ATOM 409 CB MET A 40 -2.478 7.177 -9.537 1.00 13.44 C ATOM 410 CG MET A 40 -3.195 8.495 -9.548 1.00 15.45 C ATOM 411 SD MET A 40 -4.897 8.280 -10.093 1.00 18.01 S ATOM 412 CE MET A 40 -5.391 6.816 -9.169 1.00 20.31 C ATOM 413 H MET A 40 -0.761 5.211 -8.608 1.00 0.00 H ATOM 414 N ILE A 41 -0.171 9.084 -7.893 1.00 10.43 N ATOM 415 CA ILE A 41 0.089 9.777 -6.637 1.00 12.19 C ATOM 416 C ILE A 41 -0.789 11.011 -6.634 1.00 13.01 C ATOM 417 O ILE A 41 -0.678 11.848 -7.520 1.00 13.14 O ATOM 418 CB ILE A 41 1.572 10.195 -6.498 1.00 13.68 C ATOM 419 CG1 ILE A 41 2.487 8.962 -6.477 1.00 24.48 C ATOM 420 CG2 ILE A 41 1.773 11.002 -5.222 1.00 19.32 C ATOM 421 CD1 ILE A 41 2.972 8.508 -7.848 1.00 23.27 C ATOM 422 H ILE A 41 0.063 9.551 -8.792 1.00 0.00 H ATOM 423 N ILE A 42 -1.680 11.107 -5.655 1.00 9.24 N ATOM 424 CA ILE A 42 -2.577 12.244 -5.562 1.00 9.15 C ATOM 425 C ILE A 42 -2.243 13.019 -4.299 1.00 10.22 C ATOM 426 O ILE A 42 -2.117 12.440 -3.215 1.00 13.17 O ATOM 427 CB ILE A 42 -4.057 11.804 -5.528 1.00 9.90 C ATOM 428 CG1 ILE A 42 -4.408 10.995 -6.777 1.00 12.31 C ATOM 429 CG2 ILE A 42 -4.990 13.020 -5.392 1.00 9.68 C ATOM 430 CD1 ILE A 42 -5.835 10.478 -6.784 1.00 11.27 C ATOM 431 H ILE A 42 -1.736 10.353 -4.941 1.00 0.00 H ATOM 432 N SER A 43 -2.081 14.328 -4.440 1.00 8.67 N ATOM 433 CA SER A 43 -1.815 15.175 -3.286 1.00 10.77 C ATOM 434 C SER A 43 -2.662 16.442 -3.356 1.00 10.04 C ATOM 435 O SER A 43 -3.123 16.835 -4.429 1.00 9.83 O ATOM 436 CB SER A 43 -0.325 15.518 -3.215 1.00 11.60 C ATOM 437 OG SER A 43 0.102 16.146 -4.415 1.00 17.58 O ATOM 438 HG SER A 43 -0.051 15.534 -5.178 1.00 0.00 H ATOM 439 H SER A 43 -2.145 14.754 -5.386 1.00 0.00 H ATOM 440 N VAL A 44 -2.879 17.069 -2.200 1.00 10.12 N ATOM 441 CA VAL A 44 -3.633 18.309 -2.129 1.00 10.49 C ATOM 442 C VAL A 44 -2.834 19.324 -1.326 1.00 15.28 C ATOM 443 O VAL A 44 -2.328 19.017 -0.245 1.00 15.10 O ATOM 444 CB VAL A 44 -5.030 18.126 -1.487 1.00 13.62 C ATOM 445 CG1 VAL A 44 -5.786 19.450 -1.495 1.00 18.21 C ATOM 446 CG2 VAL A 44 -5.824 17.062 -2.236 1.00 16.81 C ATOM 447 H VAL A 44 -2.498 16.659 -1.324 1.00 0.00 H ATOM 448 N ASN A 45 -2.700 20.521 -1.880 1.00 13.11 N ATOM 449 CA ASN A 45 -1.969 21.605 -1.235 1.00 16.86 C ATOM 450 C ASN A 45 -2.777 22.888 -1.403 1.00 15.85 C ATOM 451 O ASN A 45 -2.768 23.514 -2.469 1.00 14.25 O ATOM 452 CB ASN A 45 -0.565 21.732 -1.839 1.00 14.26 C ATOM 453 CG ASN A 45 0.328 22.715 -1.090 1.00 18.24 C ATOM 454 OD1 ASN A 45 -0.130 23.743 -0.593 1.00 17.01 O ATOM 455 ND2 ASN A 45 1.622 22.407 -1.030 1.00 14.72 N ATOM 456 HD22 ASN A 45 1.968 21.527 -1.464 1.00 0.00 H ATOM 457 HD21 ASN A 45 2.287 23.046 -0.549 1.00 0.00 H ATOM 458 H ASN A 45 -3.133 20.693 -2.810 1.00 0.00 H ATOM 459 N GLY A 46 -3.495 23.269 -0.349 1.00 19.73 N ATOM 460 CA GLY A 46 -4.429 24.375 -0.449 1.00 14.60 C ATOM 461 C GLY A 46 -5.553 24.032 -1.410 1.00 16.05 C ATOM 462 O GLY A 46 -6.214 23.001 -1.264 1.00 23.29 O ATOM 463 H GLY A 46 -3.385 22.769 0.556 1.00 0.00 H ATOM 464 N ASP A 47 -5.759 24.875 -2.417 1.00 13.97 N ATOM 465 CA ASP A 47 -6.842 24.661 -3.365 1.00 14.38 C ATOM 466 C ASP A 47 -6.366 23.850 -4.561 1.00 12.14 C ATOM 467 O ASP A 47 -7.152 23.543 -5.453 1.00 17.10 O ATOM 468 CB ASP A 47 -7.371 25.991 -3.885 1.00 19.45 C ATOM 469 CG ASP A 47 -8.218 26.725 -2.867 1.00 29.08 C ATOM 470 OD1 ASP A 47 -8.792 26.064 -1.977 1.00 29.34 O ATOM 471 OD2 ASP A 47 -8.320 27.963 -2.978 1.00 37.76 O ATOM 472 H ASP A 47 -5.136 25.700 -2.529 1.00 0.00 H ATOM 473 N VAL A 48 -5.075 23.544 -4.597 1.00 10.47 N ATOM 474 CA VAL A 48 -4.495 22.875 -5.753 1.00 9.26 C ATOM 475 C VAL A 48 -4.412 21.378 -5.515 1.00 11.67 C ATOM 476 O VAL A 48 -3.858 20.920 -4.510 1.00 13.58 O ATOM 477 CB VAL A 48 -3.087 23.415 -6.091 1.00 11.05 C ATOM 478 CG1 VAL A 48 -2.505 22.688 -7.305 1.00 10.33 C ATOM 479 CG2 VAL A 48 -3.137 24.919 -6.325 1.00 12.51 C ATOM 480 H VAL A 48 -4.469 23.786 -3.787 1.00 0.00 H ATOM 481 N ILE A 49 -4.981 20.623 -6.449 1.00 9.12 N ATOM 482 CA ILE A 49 -4.915 19.169 -6.427 1.00 7.94 C ATOM 483 C ILE A 49 -3.946 18.727 -7.513 1.00 10.42 C ATOM 484 O ILE A 49 -3.974 19.255 -8.626 1.00 8.87 O ATOM 485 CB ILE A 49 -6.307 18.546 -6.682 1.00 8.35 C ATOM 486 CG1 ILE A 49 -7.316 19.071 -5.655 1.00 16.82 C ATOM 487 CG2 ILE A 49 -6.232 17.017 -6.665 1.00 12.61 C ATOM 488 CD1 ILE A 49 -8.734 18.567 -5.875 1.00 22.80 C ATOM 489 H ILE A 49 -5.493 21.089 -7.225 1.00 0.00 H ATOM 490 N THR A 50 -3.083 17.772 -7.184 1.00 9.32 N ATOM 491 CA THR A 50 -2.115 17.260 -8.153 1.00 9.09 C ATOM 492 C THR A 50 -2.323 15.763 -8.307 1.00 8.36 C ATOM 493 O THR A 50 -2.408 15.032 -7.316 1.00 8.95 O ATOM 494 CB THR A 50 -0.651 17.556 -7.724 1.00 12.48 C ATOM 495 OG1 THR A 50 -0.426 18.975 -7.694 1.00 15.52 O ATOM 496 CG2 THR A 50 0.340 16.921 -8.695 1.00 14.64 C ATOM 497 HG1 THR A 50 -0.585 19.352 -8.595 1.00 0.00 H ATOM 498 H THR A 50 -3.096 17.382 -6.220 1.00 0.00 H ATOM 499 N ILE A 51 -2.465 15.317 -9.552 1.00 7.05 N ATOM 500 CA ILE A 51 -2.539 13.892 -9.846 1.00 8.71 C ATOM 501 C ILE A 51 -1.363 13.536 -10.737 1.00 11.61 C ATOM 502 O ILE A 51 -1.279 14.008 -11.869 1.00 12.05 O ATOM 503 CB ILE A 51 -3.843 13.505 -10.584 1.00 9.58 C ATOM 504 CG1 ILE A 51 -5.060 13.838 -9.722 1.00 8.95 C ATOM 505 CG2 ILE A 51 -3.838 11.998 -10.921 1.00 11.41 C ATOM 506 CD1 ILE A 51 -6.388 13.396 -10.316 1.00 11.59 C ATOM 507 H ILE A 51 -2.525 16.001 -10.333 1.00 0.00 H ATOM 508 N LYS A 52 -0.457 12.709 -10.226 1.00 10.08 N ATOM 509 CA LYS A 52 0.663 12.240 -11.029 1.00 11.30 C ATOM 510 C LYS A 52 0.451 10.783 -11.357 1.00 13.13 C ATOM 511 O LYS A 52 -0.070 10.018 -10.541 1.00 13.14 O ATOM 512 CB LYS A 52 1.988 12.366 -10.275 1.00 15.00 C ATOM 513 CG LYS A 52 2.347 13.757 -9.789 1.00 20.70 C ATOM 514 CD LYS A 52 3.774 13.741 -9.234 1.00 35.57 C ATOM 515 CE LYS A 52 4.179 15.088 -8.642 1.00 36.21 C ATOM 516 NZ LYS A 52 3.420 15.411 -7.399 1.00 37.99 N ATOM 517 HZ1 LYS A 52 2.403 15.446 -7.614 1.00 0.00 H ATOM 518 HZ2 LYS A 52 3.599 14.677 -6.684 1.00 0.00 H ATOM 519 HZ3 LYS A 52 3.730 16.335 -7.035 1.00 0.00 H ATOM 520 H LYS A 52 -0.549 12.393 -9.240 1.00 0.00 H ATOM 521 N SER A 53 0.863 10.394 -12.551 1.00 10.49 N ATOM 522 CA SER A 53 0.826 8.995 -12.911 1.00 9.82 C ATOM 523 C SER A 53 2.196 8.588 -13.425 1.00 15.82 C ATOM 524 O SER A 53 2.774 9.265 -14.276 1.00 17.21 O ATOM 525 CB SER A 53 -0.245 8.738 -13.958 1.00 13.38 C ATOM 526 OG SER A 53 -0.310 7.355 -14.280 1.00 21.93 O ATOM 527 HG SER A 53 -1.012 7.209 -14.962 1.00 0.00 H ATOM 528 H SER A 53 1.215 11.096 -13.233 1.00 0.00 H ATOM 529 N GLU A 54 2.723 7.493 -12.892 1.00 10.67 N ATOM 530 CA GLU A 54 4.009 6.992 -13.358 1.00 12.81 C ATOM 531 C GLU A 54 3.843 5.589 -13.890 1.00 12.12 C ATOM 532 O GLU A 54 3.279 4.741 -13.218 1.00 10.46 O ATOM 533 CB GLU A 54 5.026 6.987 -12.224 1.00 18.81 C ATOM 534 CG GLU A 54 5.401 8.376 -11.757 1.00 25.02 C ATOM 535 CD GLU A 54 6.424 8.342 -10.644 1.00 33.14 C ATOM 536 OE1 GLU A 54 6.445 7.341 -9.891 1.00 35.79 O ATOM 537 OE2 GLU A 54 7.207 9.311 -10.533 1.00 35.07 O ATOM 538 H GLU A 54 2.215 6.989 -12.137 1.00 0.00 H ATOM 539 N SER A 55 4.322 5.346 -15.107 1.00 11.31 N ATOM 540 CA SER A 55 4.297 3.994 -15.637 1.00 19.85 C ATOM 541 C SER A 55 5.386 3.829 -16.671 1.00 20.09 C ATOM 542 O SER A 55 6.078 4.785 -17.016 1.00 17.37 O ATOM 543 CB SER A 55 2.927 3.644 -16.239 1.00 25.66 C ATOM 544 OG SER A 55 2.780 4.132 -17.565 1.00 19.29 O ATOM 545 HG SER A 55 2.873 5.118 -17.565 1.00 0.00 H ATOM 546 H SER A 55 4.713 6.122 -15.678 1.00 0.00 H ATOM 547 N THR A 56 5.536 2.606 -17.159 1.00 19.26 N ATOM 548 CA THR A 56 6.511 2.329 -18.198 1.00 17.24 C ATOM 549 C THR A 56 6.097 2.999 -19.501 1.00 22.05 C ATOM 550 O THR A 56 6.941 3.270 -20.357 1.00 29.38 O ATOM 551 CB THR A 56 6.639 0.814 -18.429 1.00 17.22 C ATOM 552 OG1 THR A 56 5.363 0.299 -18.823 1.00 22.72 O ATOM 553 CG2 THR A 56 7.073 0.128 -17.142 1.00 16.88 C ATOM 554 HG1 THR A 56 5.435 -0.677 -18.974 1.00 0.00 H ATOM 555 H THR A 56 4.946 1.832 -16.792 1.00 0.00 H ATOM 556 N PHE A 57 4.800 3.273 -19.641 1.00 18.64 N ATOM 557 CA PHE A 57 4.261 3.905 -20.848 1.00 20.89 C ATOM 558 C PHE A 57 4.554 5.402 -20.899 1.00 24.55 C ATOM 559 O PHE A 57 5.186 5.888 -21.833 1.00 21.07 O ATOM 560 CB PHE A 57 2.754 3.649 -20.961 1.00 16.59 C ATOM 561 CG PHE A 57 2.081 4.426 -22.061 1.00 16.81 C ATOM 562 CD1 PHE A 57 2.499 4.295 -23.382 1.00 18.42 C ATOM 563 CD2 PHE A 57 1.021 5.273 -21.782 1.00 18.05 C ATOM 564 CE1 PHE A 57 1.877 5.010 -24.406 1.00 21.28 C ATOM 565 CE2 PHE A 57 0.395 5.990 -22.798 1.00 20.22 C ATOM 566 CZ PHE A 57 0.827 5.857 -24.113 1.00 19.35 C ATOM 567 H PHE A 57 4.149 3.030 -18.867 1.00 0.00 H ATOM 568 N LYS A 58 4.112 6.128 -19.880 1.00 19.59 N ATOM 569 CA LYS A 58 4.256 7.573 -19.876 1.00 20.43 C ATOM 570 C LYS A 58 4.176 8.063 -18.435 1.00 23.72 C ATOM 571 O LYS A 58 3.502 7.457 -17.598 1.00 23.54 O ATOM 572 CB LYS A 58 3.155 8.192 -20.743 1.00 23.60 C ATOM 573 CG LYS A 58 3.252 9.688 -20.950 1.00 31.04 C ATOM 574 CD LYS A 58 4.441 10.062 -21.815 1.00 32.17 C ATOM 575 CE LYS A 58 4.678 11.565 -21.783 1.00 37.94 C ATOM 576 NZ LYS A 58 6.027 11.920 -22.308 1.00 51.85 N ATOM 577 HZ1 LYS A 58 6.756 11.460 -21.726 1.00 0.00 H ATOM 578 HZ2 LYS A 58 6.111 11.595 -23.292 1.00 0.00 H ATOM 579 HZ3 LYS A 58 6.152 12.952 -22.270 1.00 0.00 H ATOM 580 H LYS A 58 3.656 5.656 -19.073 1.00 0.00 H ATOM 581 N ASN A 59 4.920 9.115 -18.126 1.00 13.28 N ATOM 582 CA ASN A 59 4.763 9.794 -16.852 1.00 12.97 C ATOM 583 C ASN A 59 3.980 11.064 -17.104 1.00 20.93 C ATOM 584 O ASN A 59 4.285 11.804 -18.038 1.00 20.54 O ATOM 585 CB ASN A 59 6.120 10.130 -16.236 1.00 20.69 C ATOM 586 CG ASN A 59 6.905 8.894 -15.840 1.00 27.17 C ATOM 587 OD1 ASN A 59 6.342 7.901 -15.371 1.00 20.15 O ATOM 588 ND2 ASN A 59 8.217 8.944 -16.042 1.00 29.42 N ATOM 589 HD22 ASN A 59 8.650 9.802 -16.440 1.00 0.00 H ATOM 590 HD21 ASN A 59 8.812 8.125 -15.802 1.00 0.00 H ATOM 591 H ASN A 59 5.627 9.460 -18.806 1.00 0.00 H ATOM 592 N THR A 60 2.959 11.308 -16.292 1.00 12.03 N ATOM 593 CA THR A 60 2.146 12.508 -16.452 1.00 13.07 C ATOM 594 C THR A 60 1.926 13.185 -15.105 1.00 10.44 C ATOM 595 O THR A 60 2.019 12.561 -14.049 1.00 11.62 O ATOM 596 CB THR A 60 0.757 12.192 -17.060 1.00 12.68 C ATOM 597 OG1 THR A 60 0.023 11.345 -16.159 1.00 13.69 O ATOM 598 CG2 THR A 60 0.896 11.484 -18.404 1.00 15.40 C ATOM 599 HG1 THR A 60 -0.865 11.143 -16.547 1.00 0.00 H ATOM 600 H THR A 60 2.736 10.635 -15.532 1.00 0.00 H ATOM 601 N GLU A 61 1.631 14.477 -15.157 1.00 12.57 N ATOM 602 CA GLU A 61 1.251 15.204 -13.956 1.00 11.68 C ATOM 603 C GLU A 61 0.308 16.331 -14.343 1.00 11.50 C ATOM 604 O GLU A 61 0.569 17.077 -15.302 1.00 11.26 O ATOM 605 CB GLU A 61 2.487 15.751 -13.232 1.00 18.44 C ATOM 606 CG GLU A 61 2.176 16.785 -12.158 1.00 22.75 C ATOM 607 CD GLU A 61 3.427 17.322 -11.468 1.00 34.21 C ATOM 608 OE1 GLU A 61 3.420 18.502 -11.055 1.00 38.61 O ATOM 609 OE2 GLU A 61 4.415 16.568 -11.332 1.00 35.04 O ATOM 610 H GLU A 61 1.672 14.977 -16.068 1.00 0.00 H ATOM 611 N ILE A 62 -0.809 16.420 -13.627 1.00 11.84 N ATOM 612 CA ILE A 62 -1.725 17.548 -13.753 1.00 7.23 C ATOM 613 C ILE A 62 -1.948 18.176 -12.385 1.00 10.68 C ATOM 614 O ILE A 62 -2.089 17.474 -11.379 1.00 10.98 O ATOM 615 CB ILE A 62 -3.087 17.142 -14.392 1.00 10.07 C ATOM 616 CG1 ILE A 62 -3.759 16.015 -13.598 1.00 12.62 C ATOM 617 CG2 ILE A 62 -2.880 16.728 -15.848 1.00 12.52 C ATOM 618 CD1 ILE A 62 -5.155 15.668 -14.088 1.00 13.48 C ATOM 619 H ILE A 62 -1.037 15.660 -12.955 1.00 0.00 H ATOM 620 N SER A 63 -1.947 19.504 -12.354 1.00 8.23 N ATOM 621 CA SER A 63 -2.306 20.252 -11.160 1.00 9.51 C ATOM 622 C SER A 63 -3.450 21.186 -11.533 1.00 11.89 C ATOM 623 O SER A 63 -3.463 21.765 -12.613 1.00 11.08 O ATOM 624 CB SER A 63 -1.114 21.047 -10.624 1.00 14.35 C ATOM 625 OG SER A 63 -0.110 20.172 -10.146 1.00 11.97 O ATOM 626 HG SER A 63 -0.480 19.614 -9.416 1.00 0.00 H ATOM 627 H SER A 63 -1.680 20.026 -13.213 1.00 0.00 H ATOM 628 N PHE A 64 -4.424 21.320 -10.645 1.00 9.43 N ATOM 629 CA PHE A 64 -5.632 22.039 -11.005 1.00 7.90 C ATOM 630 C PHE A 64 -6.375 22.483 -9.769 1.00 7.78 C ATOM 631 O PHE A 64 -6.119 21.995 -8.661 1.00 8.39 O ATOM 632 CB PHE A 64 -6.540 21.146 -11.863 1.00 7.38 C ATOM 633 CG PHE A 64 -6.906 19.836 -11.199 1.00 9.09 C ATOM 634 CD1 PHE A 64 -6.084 18.720 -11.337 1.00 7.82 C ATOM 635 CD2 PHE A 64 -8.072 19.716 -10.457 1.00 9.36 C ATOM 636 CE1 PHE A 64 -6.407 17.515 -10.732 1.00 8.34 C ATOM 637 CE2 PHE A 64 -8.406 18.506 -9.838 1.00 8.46 C ATOM 638 CZ PHE A 64 -7.574 17.409 -9.976 1.00 10.99 C ATOM 639 H PHE A 64 -4.323 20.912 -9.694 1.00 0.00 H ATOM 640 N ILE A 65 -7.282 23.427 -9.982 1.00 9.21 N ATOM 641 CA ILE A 65 -8.191 23.917 -8.965 1.00 11.02 C ATOM 642 C ILE A 65 -9.573 23.495 -9.438 1.00 8.44 C ATOM 643 O ILE A 65 -9.875 23.588 -10.622 1.00 11.66 O ATOM 644 CB ILE A 65 -8.100 25.449 -8.853 1.00 12.80 C ATOM 645 CG1 ILE A 65 -6.721 25.853 -8.315 1.00 15.37 C ATOM 646 CG2 ILE A 65 -9.206 25.998 -7.953 1.00 12.54 C ATOM 647 CD1 ILE A 65 -6.489 27.351 -8.291 1.00 14.05 C ATOM 648 H ILE A 65 -7.345 23.840 -10.935 1.00 0.00 H ATOM 649 N LEU A 66 -10.401 23.002 -8.524 1.00 10.38 N ATOM 650 CA LEU A 66 -11.726 22.521 -8.905 1.00 7.95 C ATOM 651 C LEU A 66 -12.550 23.603 -9.594 1.00 12.51 C ATOM 652 O LEU A 66 -12.598 24.752 -9.144 1.00 11.38 O ATOM 653 CB LEU A 66 -12.478 21.972 -7.690 1.00 8.72 C ATOM 654 CG LEU A 66 -11.842 20.765 -7.003 1.00 10.49 C ATOM 655 CD1 LEU A 66 -12.577 20.454 -5.713 1.00 12.89 C ATOM 656 CD2 LEU A 66 -11.870 19.565 -7.938 1.00 11.19 C ATOM 657 H LEU A 66 -10.103 22.958 -7.529 1.00 0.00 H ATOM 658 N GLY A 67 -13.169 23.222 -10.705 1.00 10.06 N ATOM 659 CA GLY A 67 -14.052 24.094 -11.450 1.00 10.77 C ATOM 660 C GLY A 67 -13.350 25.012 -12.433 1.00 10.72 C ATOM 661 O GLY A 67 -14.016 25.755 -13.150 1.00 14.02 O ATOM 662 H GLY A 67 -13.013 22.255 -11.055 1.00 0.00 H ATOM 663 N GLN A 68 -12.019 24.956 -12.476 1.00 8.91 N ATOM 664 CA GLN A 68 -11.231 25.881 -13.288 1.00 10.60 C ATOM 665 C GLN A 68 -10.511 25.164 -14.423 1.00 11.24 C ATOM 666 O GLN A 68 -9.603 24.366 -14.187 1.00 9.90 O ATOM 667 CB GLN A 68 -10.231 26.638 -12.412 1.00 11.66 C ATOM 668 CG GLN A 68 -10.901 27.360 -11.268 1.00 12.00 C ATOM 669 CD GLN A 68 -10.017 28.404 -10.612 1.00 16.00 C ATOM 670 OE1 GLN A 68 -8.861 28.601 -10.992 1.00 19.51 O ATOM 671 NE2 GLN A 68 -10.571 29.091 -9.624 1.00 23.89 N ATOM 672 HE22 GLN A 68 -11.550 28.891 -9.337 1.00 0.00 H ATOM 673 HE21 GLN A 68 -10.027 29.831 -9.136 1.00 0.00 H ATOM 674 H GLN A 68 -11.526 24.232 -11.915 1.00 0.00 H ATOM 675 N GLU A 69 -10.919 25.473 -15.654 1.00 8.84 N ATOM 676 CA GLU A 69 -10.420 24.787 -16.850 1.00 9.34 C ATOM 677 C GLU A 69 -8.899 24.911 -17.002 1.00 13.70 C ATOM 678 O GLU A 69 -8.309 25.957 -16.692 1.00 10.55 O ATOM 679 CB GLU A 69 -11.133 25.333 -18.092 1.00 10.13 C ATOM 680 CG GLU A 69 -10.793 24.612 -19.402 1.00 20.18 C ATOM 681 CD GLU A 69 -11.605 25.128 -20.572 1.00 28.43 C ATOM 682 OE1 GLU A 69 -11.518 26.340 -20.865 1.00 33.76 O ATOM 683 OE2 GLU A 69 -12.337 24.322 -21.188 1.00 34.94 O ATOM 684 H GLU A 69 -11.620 26.232 -15.771 1.00 0.00 H ATOM 685 N PHE A 70 -8.266 23.840 -17.473 1.00 10.54 N ATOM 686 CA PHE A 70 -6.829 23.861 -17.715 1.00 11.62 C ATOM 687 C PHE A 70 -6.448 23.077 -18.958 1.00 13.04 C ATOM 688 O PHE A 70 -7.234 22.280 -19.471 1.00 9.55 O ATOM 689 CB PHE A 70 -6.052 23.326 -16.505 1.00 8.09 C ATOM 690 CG PHE A 70 -6.394 21.901 -16.132 1.00 10.82 C ATOM 691 CD1 PHE A 70 -7.498 21.622 -15.343 1.00 11.25 C ATOM 692 CD2 PHE A 70 -5.607 20.849 -16.569 1.00 11.45 C ATOM 693 CE1 PHE A 70 -7.814 20.303 -14.995 1.00 8.49 C ATOM 694 CE2 PHE A 70 -5.916 19.534 -16.228 1.00 12.79 C ATOM 695 CZ PHE A 70 -7.016 19.266 -15.435 1.00 10.06 C ATOM 696 H PHE A 70 -8.805 22.973 -17.672 1.00 0.00 H ATOM 697 N ASP A 71 -5.217 23.304 -19.407 1.00 12.30 N ATOM 698 CA ASP A 71 -4.650 22.598 -20.547 1.00 13.05 C ATOM 699 C ASP A 71 -4.009 21.305 -20.079 1.00 12.30 C ATOM 700 O ASP A 71 -3.216 21.312 -19.143 1.00 14.37 O ATOM 701 CB ASP A 71 -3.584 23.460 -21.238 1.00 14.00 C ATOM 702 CG ASP A 71 -4.157 24.702 -21.883 1.00 22.16 C ATOM 703 OD1 ASP A 71 -5.148 24.579 -22.633 1.00 18.99 O ATOM 704 OD2 ASP A 71 -3.614 25.805 -21.631 1.00 17.22 O ATOM 705 H ASP A 71 -4.634 24.017 -18.923 1.00 0.00 H ATOM 706 N GLU A 72 -4.329 20.197 -20.746 1.00 13.16 N ATOM 707 CA GLU A 72 -3.760 18.907 -20.383 1.00 12.62 C ATOM 708 C GLU A 72 -3.211 18.225 -21.626 1.00 14.83 C ATOM 709 O GLU A 72 -3.879 18.171 -22.646 1.00 14.13 O ATOM 710 CB GLU A 72 -4.818 17.999 -19.735 1.00 13.28 C ATOM 711 CG GLU A 72 -4.292 16.595 -19.368 1.00 12.63 C ATOM 712 CD GLU A 72 -5.350 15.678 -18.760 1.00 12.93 C ATOM 713 OE1 GLU A 72 -6.554 16.004 -18.827 1.00 14.13 O ATOM 714 OE2 GLU A 72 -4.969 14.619 -18.214 1.00 15.19 O ATOM 715 H GLU A 72 -4.998 20.255 -21.541 1.00 0.00 H ATOM 716 N VAL A 73 -1.991 17.711 -21.541 1.00 14.05 N ATOM 717 CA VAL A 73 -1.497 16.842 -22.600 1.00 12.64 C ATOM 718 C VAL A 73 -1.582 15.429 -22.059 1.00 12.11 C ATOM 719 O VAL A 73 -0.867 15.066 -21.128 1.00 16.98 O ATOM 720 CB VAL A 73 -0.053 17.161 -23.004 1.00 21.06 C ATOM 721 CG1 VAL A 73 0.388 16.216 -24.116 1.00 19.22 C ATOM 722 CG2 VAL A 73 0.062 18.606 -23.452 1.00 19.73 C ATOM 723 H VAL A 73 -1.389 17.928 -20.721 1.00 0.00 H ATOM 724 N THR A 74 -2.486 14.643 -22.623 1.00 11.68 N ATOM 725 CA THR A 74 -2.783 13.329 -22.065 1.00 14.01 C ATOM 726 C THR A 74 -1.667 12.320 -22.347 1.00 12.48 C ATOM 727 O THR A 74 -0.779 12.576 -23.161 1.00 15.09 O ATOM 728 CB THR A 74 -4.119 12.791 -22.604 1.00 13.06 C ATOM 729 OG1 THR A 74 -4.009 12.559 -24.010 1.00 11.36 O ATOM 730 CG2 THR A 74 -5.239 13.786 -22.337 1.00 11.02 C ATOM 731 HG1 THR A 74 -3.294 11.895 -24.179 1.00 0.00 H ATOM 732 H THR A 74 -2.990 14.966 -23.473 1.00 0.00 H ATOM 733 N ALA A 75 -1.717 11.185 -21.661 1.00 11.93 N ATOM 734 CA ALA A 75 -0.727 10.122 -21.850 1.00 12.53 C ATOM 735 C ALA A 75 -0.604 9.719 -23.320 1.00 16.26 C ATOM 736 O ALA A 75 0.491 9.415 -23.797 1.00 16.20 O ATOM 737 CB ALA A 75 -1.079 8.915 -21.003 1.00 15.22 C ATOM 738 H ALA A 75 -2.481 11.046 -20.969 1.00 0.00 H ATOM 739 N ASP A 76 -1.728 9.730 -24.031 1.00 11.71 N ATOM 740 CA ASP A 76 -1.763 9.308 -25.435 1.00 10.34 C ATOM 741 C ASP A 76 -1.529 10.491 -26.389 1.00 15.96 C ATOM 742 O ASP A 76 -1.763 10.391 -27.598 1.00 19.03 O ATOM 743 CB ASP A 76 -3.085 8.607 -25.760 1.00 14.60 C ATOM 744 CG ASP A 76 -4.285 9.500 -25.556 1.00 15.91 C ATOM 745 OD1 ASP A 76 -4.409 10.076 -24.454 1.00 15.79 O ATOM 746 OD2 ASP A 76 -5.097 9.634 -26.502 1.00 18.12 O ATOM 747 H ASP A 76 -2.609 10.047 -23.578 1.00 0.00 H ATOM 748 N ASP A 77 -1.080 11.603 -25.813 1.00 16.48 N ATOM 749 CA ASP A 77 -0.644 12.792 -26.546 1.00 19.00 C ATOM 750 C ASP A 77 -1.765 13.584 -27.215 1.00 22.54 C ATOM 751 O ASP A 77 -1.544 14.231 -28.236 1.00 23.66 O ATOM 752 CB ASP A 77 0.465 12.454 -27.560 1.00 23.83 C ATOM 753 CG ASP A 77 1.437 13.606 -27.773 1.00 44.65 C ATOM 754 OD1 ASP A 77 1.765 13.904 -28.942 1.00 48.12 O ATOM 755 OD2 ASP A 77 1.881 14.209 -26.772 1.00 43.82 O ATOM 756 H ASP A 77 -1.036 11.629 -24.774 1.00 0.00 H ATOM 757 N ARG A 78 -2.965 13.542 -26.644 1.00 13.89 N ATOM 758 CA ARG A 78 -3.992 14.506 -27.031 1.00 10.18 C ATOM 759 C ARG A 78 -3.756 15.809 -26.282 1.00 12.89 C ATOM 760 O ARG A 78 -3.315 15.799 -25.131 1.00 16.31 O ATOM 761 CB ARG A 78 -5.395 13.989 -26.707 1.00 14.37 C ATOM 762 CG ARG A 78 -5.930 12.933 -27.665 1.00 14.00 C ATOM 763 CD ARG A 78 -7.249 12.347 -27.153 1.00 14.62 C ATOM 764 NE ARG A 78 -7.001 11.585 -25.941 1.00 12.69 N ATOM 765 CZ ARG A 78 -7.680 11.701 -24.800 1.00 13.70 C ATOM 766 NH1 ARG A 78 -8.714 12.526 -24.691 1.00 11.38 N ATOM 767 NH2 ARG A 78 -7.319 10.973 -23.758 1.00 14.22 N ATOM 768 HE ARG A 78 -6.228 10.890 -25.966 1.00 0.00 H ATOM 769 HH12 ARG A 78 -9.228 12.599 -23.790 1.00 0.00 H ATOM 770 HH11 ARG A 78 -9.010 13.099 -25.507 1.00 0.00 H ATOM 771 HH22 ARG A 78 -7.840 11.054 -22.862 1.00 0.00 H ATOM 772 HH21 ARG A 78 -6.514 10.319 -23.834 1.00 0.00 H ATOM 773 H ARG A 78 -3.172 12.823 -25.922 1.00 0.00 H ATOM 774 N LYS A 79 -4.043 16.924 -26.943 1.00 14.76 N ATOM 775 CA LYS A 79 -4.015 18.234 -26.298 1.00 11.55 C ATOM 776 C LYS A 79 -5.452 18.619 -26.036 1.00 7.98 C ATOM 777 O LYS A 79 -6.199 18.948 -26.965 1.00 14.09 O ATOM 778 CB LYS A 79 -3.333 19.274 -27.193 1.00 12.83 C ATOM 779 CG LYS A 79 -1.813 19.236 -27.157 1.00 22.90 C ATOM 780 CD LYS A 79 -1.244 18.039 -27.903 1.00 37.06 C ATOM 781 CE LYS A 79 0.276 18.119 -28.002 1.00 44.70 C ATOM 782 NZ LYS A 79 0.861 16.880 -28.585 1.00 46.90 N ATOM 783 HZ1 LYS A 79 0.616 16.067 -27.985 1.00 0.00 H ATOM 784 HZ2 LYS A 79 0.479 16.735 -29.541 1.00 0.00 H ATOM 785 HZ3 LYS A 79 1.895 16.976 -28.634 1.00 0.00 H ATOM 786 H LYS A 79 -4.295 16.863 -27.950 1.00 0.00 H ATOM 787 N VAL A 80 -5.854 18.537 -24.770 1.00 10.71 N ATOM 788 CA VAL A 80 -7.252 18.695 -24.407 1.00 9.86 C ATOM 789 C VAL A 80 -7.461 19.843 -23.426 1.00 10.48 C ATOM 790 O VAL A 80 -6.528 20.293 -22.754 1.00 10.49 O ATOM 791 CB VAL A 80 -7.829 17.392 -23.774 1.00 8.83 C ATOM 792 CG1 VAL A 80 -7.437 16.171 -24.607 1.00 11.33 C ATOM 793 CG2 VAL A 80 -7.335 17.220 -22.337 1.00 9.81 C ATOM 794 H VAL A 80 -5.152 18.356 -24.024 1.00 0.00 H ATOM 795 N LYS A 81 -8.693 20.328 -23.372 1.00 8.84 N ATOM 796 CA LYS A 81 -9.078 21.302 -22.360 1.00 9.16 C ATOM 797 C LYS A 81 -9.816 20.524 -21.291 1.00 11.65 C ATOM 798 O LYS A 81 -10.822 19.879 -21.586 1.00 10.21 O ATOM 799 CB LYS A 81 -9.999 22.359 -22.955 1.00 12.50 C ATOM 800 CG LYS A 81 -9.360 23.190 -24.061 1.00 21.57 C ATOM 801 CD LYS A 81 -8.281 24.098 -23.518 1.00 25.65 C ATOM 802 CE LYS A 81 -7.857 25.122 -24.567 1.00 21.01 C ATOM 803 NZ LYS A 81 -6.941 26.134 -23.979 1.00 28.55 N ATOM 804 HZ1 LYS A 81 -7.426 26.629 -23.204 1.00 0.00 H ATOM 805 HZ2 LYS A 81 -6.092 25.659 -23.612 1.00 0.00 H ATOM 806 HZ3 LYS A 81 -6.667 26.819 -24.712 1.00 0.00 H ATOM 807 H LYS A 81 -9.398 20.007 -24.065 1.00 0.00 H ATOM 808 N SER A 82 -9.319 20.574 -20.056 1.00 10.61 N ATOM 809 CA SER A 82 -9.880 19.761 -18.979 1.00 9.60 C ATOM 810 C SER A 82 -10.518 20.608 -17.886 1.00 8.26 C ATOM 811 O SER A 82 -10.004 21.664 -17.530 1.00 9.44 O ATOM 812 CB SER A 82 -8.790 18.890 -18.342 1.00 8.67 C ATOM 813 OG SER A 82 -8.439 17.806 -19.194 1.00 10.87 O ATOM 814 HG SER A 82 -7.735 17.261 -18.760 1.00 0.00 H ATOM 815 H SER A 82 -8.516 21.204 -19.854 1.00 0.00 H ATOM 816 N THR A 83 -11.630 20.125 -17.345 1.00 6.78 N ATOM 817 CA THR A 83 -12.221 20.736 -16.159 1.00 6.74 C ATOM 818 C THR A 83 -12.591 19.639 -15.184 1.00 10.71 C ATOM 819 O THR A 83 -13.230 18.651 -15.563 1.00 8.74 O ATOM 820 CB THR A 83 -13.468 21.549 -16.500 1.00 10.28 C ATOM 821 OG1 THR A 83 -13.141 22.520 -17.511 1.00 12.08 O ATOM 822 CG2 THR A 83 -13.987 22.280 -15.250 1.00 9.66 C ATOM 823 HG1 THR A 83 -12.817 22.054 -18.322 1.00 0.00 H ATOM 824 H THR A 83 -12.088 19.296 -17.774 1.00 0.00 H ATOM 825 N ILE A 84 -12.178 19.808 -13.933 1.00 7.31 N ATOM 826 CA ILE A 84 -12.425 18.788 -12.915 1.00 6.17 C ATOM 827 C ILE A 84 -13.208 19.426 -11.780 1.00 10.02 C ATOM 828 O ILE A 84 -12.867 20.510 -11.309 1.00 10.92 O ATOM 829 CB ILE A 84 -11.105 18.178 -12.392 1.00 6.84 C ATOM 830 CG1 ILE A 84 -10.352 17.513 -13.556 1.00 7.86 C ATOM 831 CG2 ILE A 84 -11.371 17.174 -11.272 1.00 10.38 C ATOM 832 CD1 ILE A 84 -9.016 16.877 -13.185 1.00 8.83 C ATOM 833 H ILE A 84 -11.672 20.679 -13.674 1.00 0.00 H ATOM 834 N THR A 85 -14.285 18.762 -11.379 1.00 7.40 N ATOM 835 CA THR A 85 -15.133 19.249 -10.302 1.00 8.84 C ATOM 836 C THR A 85 -15.417 18.122 -9.330 1.00 13.57 C ATOM 837 O THR A 85 -15.145 16.957 -9.611 1.00 11.64 O ATOM 838 CB THR A 85 -16.467 19.788 -10.839 1.00 15.90 C ATOM 839 OG1 THR A 85 -17.097 18.783 -11.645 1.00 15.10 O ATOM 840 CG2 THR A 85 -16.222 21.025 -11.695 1.00 15.88 C ATOM 841 HG1 THR A 85 -16.504 18.550 -12.403 1.00 0.00 H ATOM 842 H THR A 85 -14.530 17.867 -11.849 1.00 0.00 H ATOM 843 N LEU A 86 -15.944 18.485 -8.168 1.00 11.82 N ATOM 844 CA LEU A 86 -16.342 17.499 -7.184 1.00 12.91 C ATOM 845 C LEU A 86 -17.858 17.456 -7.148 1.00 21.82 C ATOM 846 O LEU A 86 -18.510 18.480 -6.954 1.00 27.30 O ATOM 847 CB LEU A 86 -15.809 17.887 -5.813 1.00 15.14 C ATOM 848 CG LEU A 86 -14.642 17.084 -5.234 1.00 23.54 C ATOM 849 CD1 LEU A 86 -14.278 17.618 -3.863 1.00 15.38 C ATOM 850 CD2 LEU A 86 -14.946 15.592 -5.157 1.00 18.00 C ATOM 851 H LEU A 86 -16.074 19.496 -7.960 1.00 0.00 H ATOM 852 N ASP A 87 -18.415 16.271 -7.349 1.00 17.03 N ATOM 853 CA ASP A 87 -19.855 16.087 -7.319 1.00 20.56 C ATOM 854 C ASP A 87 -20.170 14.935 -6.385 1.00 13.80 C ATOM 855 O ASP A 87 -19.909 13.783 -6.714 1.00 17.48 O ATOM 856 CB ASP A 87 -20.391 15.788 -8.721 1.00 20.51 C ATOM 857 CG ASP A 87 -21.840 15.311 -8.711 1.00 35.38 C ATOM 858 OD1 ASP A 87 -22.628 15.789 -7.865 1.00 43.42 O ATOM 859 OD2 ASP A 87 -22.194 14.457 -9.555 1.00 39.48 O ATOM 860 H ASP A 87 -17.804 15.450 -7.533 1.00 0.00 H ATOM 861 N GLY A 88 -20.719 15.248 -5.215 1.00 18.87 N ATOM 862 CA GLY A 88 -21.091 14.214 -4.263 1.00 21.46 C ATOM 863 C GLY A 88 -19.953 13.265 -3.929 1.00 21.85 C ATOM 864 O GLY A 88 -20.132 12.041 -3.895 1.00 20.07 O ATOM 865 H GLY A 88 -20.885 16.247 -4.977 1.00 0.00 H ATOM 866 N GLY A 89 -18.772 13.831 -3.704 1.00 13.48 N ATOM 867 CA GLY A 89 -17.619 13.039 -3.322 1.00 13.44 C ATOM 868 C GLY A 89 -16.840 12.454 -4.482 1.00 17.43 C ATOM 869 O GLY A 89 -15.794 11.835 -4.284 1.00 16.49 O ATOM 870 H GLY A 89 -18.673 14.861 -3.804 1.00 0.00 H ATOM 871 N VAL A 90 -17.349 12.646 -5.694 1.00 12.80 N ATOM 872 CA VAL A 90 -16.728 12.073 -6.878 1.00 10.59 C ATOM 873 C VAL A 90 -15.993 13.139 -7.694 1.00 13.43 C ATOM 874 O VAL A 90 -16.554 14.189 -8.003 1.00 12.13 O ATOM 875 CB VAL A 90 -17.785 11.372 -7.766 1.00 10.74 C ATOM 876 CG1 VAL A 90 -17.140 10.826 -9.039 1.00 14.94 C ATOM 877 CG2 VAL A 90 -18.490 10.258 -6.998 1.00 16.03 C ATOM 878 H VAL A 90 -18.211 13.219 -5.799 1.00 0.00 H ATOM 879 N LEU A 91 -14.736 12.876 -8.044 1.00 13.60 N ATOM 880 CA LEU A 91 -14.016 13.795 -8.912 1.00 10.31 C ATOM 881 C LEU A 91 -14.468 13.519 -10.325 1.00 10.92 C ATOM 882 O LEU A 91 -14.293 12.409 -10.835 1.00 10.68 O ATOM 883 CB LEU A 91 -12.500 13.612 -8.814 1.00 12.04 C ATOM 884 CG LEU A 91 -11.784 14.194 -7.594 1.00 15.61 C ATOM 885 CD1 LEU A 91 -10.370 13.648 -7.526 1.00 14.34 C ATOM 886 CD2 LEU A 91 -11.765 15.720 -7.671 1.00 12.19 C ATOM 887 H LEU A 91 -14.269 12.014 -7.697 1.00 0.00 H ATOM 888 N VAL A 92 -15.058 14.531 -10.947 1.00 9.51 N ATOM 889 CA VAL A 92 -15.548 14.404 -12.313 1.00 6.55 C ATOM 890 C VAL A 92 -14.667 15.227 -13.243 1.00 8.30 C ATOM 891 O VAL A 92 -14.598 16.451 -13.124 1.00 9.17 O ATOM 892 CB VAL A 92 -17.014 14.867 -12.412 1.00 9.34 C ATOM 893 CG1 VAL A 92 -17.541 14.671 -13.810 1.00 11.79 C ATOM 894 CG2 VAL A 92 -17.877 14.111 -11.407 1.00 13.61 C ATOM 895 H VAL A 92 -15.173 15.436 -10.448 1.00 0.00 H ATOM 896 N HIS A 93 -14.016 14.539 -14.183 1.00 8.96 N ATOM 897 CA HIS A 93 -12.993 15.118 -15.058 1.00 9.87 C ATOM 898 C HIS A 93 -13.477 15.065 -16.511 1.00 10.29 C ATOM 899 O HIS A 93 -13.624 13.991 -17.073 1.00 9.84 O ATOM 900 CB HIS A 93 -11.690 14.315 -14.858 1.00 6.20 C ATOM 901 CG HIS A 93 -10.540 14.752 -15.718 1.00 9.35 C ATOM 902 ND1 HIS A 93 -9.291 14.182 -15.619 1.00 9.43 N ATOM 903 CD2 HIS A 93 -10.444 15.700 -16.684 1.00 11.06 C ATOM 904 CE1 HIS A 93 -8.474 14.757 -16.484 1.00 9.03 C ATOM 905 NE2 HIS A 93 -9.150 15.676 -17.148 1.00 12.07 N ATOM 906 H HIS A 93 -14.248 13.532 -14.302 1.00 0.00 H ATOM 907 N VAL A 94 -13.743 16.223 -17.118 1.00 6.76 N ATOM 908 CA VAL A 94 -14.165 16.234 -18.511 1.00 6.31 C ATOM 909 C VAL A 94 -13.016 16.730 -19.384 1.00 9.99 C ATOM 910 O VAL A 94 -12.436 17.787 -19.103 1.00 9.33 O ATOM 911 CB VAL A 94 -15.400 17.125 -18.719 1.00 13.68 C ATOM 912 CG1 VAL A 94 -15.843 17.101 -20.185 1.00 15.24 C ATOM 913 CG2 VAL A 94 -16.536 16.698 -17.803 1.00 14.23 C ATOM 914 H VAL A 94 -13.649 17.118 -16.596 1.00 0.00 H ATOM 915 N GLN A 95 -12.692 15.959 -20.421 1.00 7.49 N ATOM 916 CA GLN A 95 -11.700 16.345 -21.423 1.00 7.75 C ATOM 917 C GLN A 95 -12.388 16.673 -22.740 1.00 10.87 C ATOM 918 O GLN A 95 -13.220 15.893 -23.215 1.00 10.28 O ATOM 919 CB GLN A 95 -10.696 15.215 -21.658 1.00 8.22 C ATOM 920 CG GLN A 95 -9.777 14.885 -20.477 1.00 8.69 C ATOM 921 CD GLN A 95 -8.913 13.663 -20.772 1.00 10.55 C ATOM 922 OE1 GLN A 95 -9.226 12.878 -21.667 1.00 10.23 O ATOM 923 NE2 GLN A 95 -7.825 13.499 -20.026 1.00 7.44 N ATOM 924 HE22 GLN A 95 -7.598 14.187 -19.280 1.00 0.00 H ATOM 925 HE21 GLN A 95 -7.201 12.683 -20.189 1.00 0.00 H ATOM 926 H GLN A 95 -13.167 15.039 -20.522 1.00 0.00 H ATOM 927 N LYS A 96 -12.035 17.821 -23.329 1.00 8.61 N ATOM 928 CA LYS A 96 -12.625 18.281 -24.591 1.00 9.59 C ATOM 929 C LYS A 96 -11.527 18.527 -25.608 1.00 12.66 C ATOM 930 O LYS A 96 -10.565 19.231 -25.319 1.00 11.20 O ATOM 931 CB LYS A 96 -13.348 19.620 -24.396 1.00 11.62 C ATOM 932 CG LYS A 96 -14.379 19.666 -23.289 1.00 20.99 C ATOM 933 CD LYS A 96 -15.687 19.049 -23.737 1.00 25.77 C ATOM 934 CE LYS A 96 -16.830 19.425 -22.802 1.00 34.96 C ATOM 935 NZ LYS A 96 -18.042 18.584 -23.054 1.00 33.24 N ATOM 936 HZ1 LYS A 96 -18.359 18.720 -24.035 1.00 0.00 H ATOM 937 HZ2 LYS A 96 -17.806 17.583 -22.901 1.00 0.00 H ATOM 938 HZ3 LYS A 96 -18.800 18.866 -22.401 1.00 0.00 H ATOM 939 H LYS A 96 -11.311 18.413 -22.873 1.00 0.00 H ATOM 940 N TRP A 97 -11.675 17.973 -26.806 1.00 11.38 N ATOM 941 CA TRP A 97 -10.716 18.234 -27.870 1.00 14.33 C ATOM 942 C TRP A 97 -11.356 17.906 -29.205 1.00 18.70 C ATOM 943 O TRP A 97 -12.153 16.971 -29.298 1.00 16.93 O ATOM 944 CB TRP A 97 -9.455 17.387 -27.674 1.00 12.34 C ATOM 945 CG TRP A 97 -9.643 15.944 -28.050 1.00 13.96 C ATOM 946 CD1 TRP A 97 -9.159 15.328 -29.171 1.00 16.51 C ATOM 947 CD2 TRP A 97 -10.388 14.944 -27.330 1.00 13.47 C ATOM 948 NE1 TRP A 97 -9.537 14.004 -29.184 1.00 14.18 N ATOM 949 CE2 TRP A 97 -10.291 13.744 -28.066 1.00 13.76 C ATOM 950 CE3 TRP A 97 -11.113 14.942 -26.131 1.00 11.37 C ATOM 951 CZ2 TRP A 97 -10.904 12.566 -27.657 1.00 12.01 C ATOM 952 CZ3 TRP A 97 -11.721 13.756 -25.719 1.00 10.32 C ATOM 953 CH2 TRP A 97 -11.605 12.585 -26.481 1.00 13.50 C ATOM 954 HE1 TRP A 97 -9.291 13.313 -29.921 1.00 0.00 H ATOM 955 H TRP A 97 -12.485 17.346 -26.986 1.00 0.00 H ATOM 956 N ASP A 98 -11.016 18.685 -30.231 1.00 19.49 N ATOM 957 CA ASP A 98 -11.426 18.391 -31.604 1.00 22.64 C ATOM 958 C ASP A 98 -12.924 18.114 -31.707 1.00 22.15 C ATOM 959 O ASP A 98 -13.351 17.251 -32.471 1.00 24.84 O ATOM 960 CB ASP A 98 -10.625 17.198 -32.146 1.00 21.58 C ATOM 961 CG ASP A 98 -10.564 17.169 -33.671 1.00 43.84 C ATOM 962 OD1 ASP A 98 -10.602 18.250 -34.299 1.00 45.55 O ATOM 963 OD2 ASP A 98 -10.464 16.061 -34.242 1.00 44.58 O ATOM 964 H ASP A 98 -10.439 19.531 -30.049 1.00 0.00 H ATOM 965 N GLY A 99 -13.712 18.826 -30.909 1.00 19.41 N ATOM 966 CA GLY A 99 -15.156 18.667 -30.923 1.00 18.72 C ATOM 967 C GLY A 99 -15.656 17.416 -30.234 1.00 20.33 C ATOM 968 O GLY A 99 -16.839 17.088 -30.310 1.00 24.41 O ATOM 969 H GLY A 99 -13.284 19.515 -30.258 1.00 0.00 H ATOM 970 N LYS A 100 -14.755 16.717 -29.550 1.00 20.09 N ATOM 971 CA LYS A 100 -15.109 15.495 -28.835 1.00 16.80 C ATOM 972 C LYS A 100 -15.014 15.730 -27.332 1.00 16.24 C ATOM 973 O LYS A 100 -14.386 16.687 -26.884 1.00 12.89 O ATOM 974 CB LYS A 100 -14.163 14.368 -29.223 1.00 14.09 C ATOM 975 CG LYS A 100 -14.190 14.030 -30.706 1.00 24.51 C ATOM 976 CD LYS A 100 -12.993 13.191 -31.096 1.00 23.28 C ATOM 977 CE LYS A 100 -12.984 12.908 -32.591 1.00 29.75 C ATOM 978 NZ LYS A 100 -11.800 12.097 -32.973 1.00 47.44 N ATOM 979 HZ1 LYS A 100 -10.932 12.615 -32.726 1.00 0.00 H ATOM 980 HZ2 LYS A 100 -11.822 11.191 -32.462 1.00 0.00 H ATOM 981 HZ3 LYS A 100 -11.819 11.919 -33.997 1.00 0.00 H ATOM 982 H LYS A 100 -13.770 17.051 -29.524 1.00 0.00 H ATOM 983 N SER A 101 -15.628 14.842 -26.559 1.00 12.68 N ATOM 984 CA SER A 101 -15.602 14.974 -25.107 1.00 9.10 C ATOM 985 C SER A 101 -15.614 13.594 -24.468 1.00 11.42 C ATOM 986 O SER A 101 -16.273 12.692 -24.967 1.00 12.49 O ATOM 987 CB SER A 101 -16.822 15.763 -24.635 1.00 15.36 C ATOM 988 OG SER A 101 -16.898 15.792 -23.226 1.00 24.91 O ATOM 989 HG SER A 101 -16.967 14.867 -22.881 1.00 0.00 H ATOM 990 H SER A 101 -16.133 14.044 -26.994 1.00 0.00 H ATOM 991 N THR A 102 -14.886 13.441 -23.364 1.00 9.81 N ATOM 992 CA THR A 102 -14.895 12.204 -22.591 1.00 10.18 C ATOM 993 C THR A 102 -14.920 12.577 -21.108 1.00 10.47 C ATOM 994 O THR A 102 -14.450 13.653 -20.728 1.00 8.87 O ATOM 995 CB THR A 102 -13.685 11.294 -22.930 1.00 10.76 C ATOM 996 OG1 THR A 102 -13.825 10.024 -22.269 1.00 12.65 O ATOM 997 CG2 THR A 102 -12.374 11.954 -22.510 1.00 8.75 C ATOM 998 HG1 THR A 102 -13.049 9.450 -22.491 1.00 0.00 H ATOM 999 H THR A 102 -14.291 14.230 -23.042 1.00 0.00 H ATOM 1000 N THR A 103 -15.509 11.714 -20.289 1.00 8.43 N ATOM 1001 CA THR A 103 -15.629 11.952 -18.854 1.00 11.00 C ATOM 1002 C THR A 103 -14.962 10.829 -18.070 1.00 11.27 C ATOM 1003 O THR A 103 -15.184 9.652 -18.339 1.00 11.98 O ATOM 1004 CB THR A 103 -17.105 12.053 -18.428 1.00 11.55 C ATOM 1005 OG1 THR A 103 -17.711 13.148 -19.123 1.00 13.50 O ATOM 1006 CG2 THR A 103 -17.230 12.286 -16.930 1.00 13.81 C ATOM 1007 HG1 THR A 103 -17.653 12.991 -20.099 1.00 0.00 H ATOM 1008 H THR A 103 -15.900 10.835 -20.685 1.00 0.00 H ATOM 1009 N ILE A 104 -14.146 11.224 -17.103 1.00 9.07 N ATOM 1010 CA ILE A 104 -13.394 10.313 -16.267 1.00 10.00 C ATOM 1011 C ILE A 104 -13.836 10.582 -14.836 1.00 8.04 C ATOM 1012 O ILE A 104 -13.684 11.688 -14.341 1.00 8.53 O ATOM 1013 CB ILE A 104 -11.892 10.608 -16.393 1.00 10.33 C ATOM 1014 CG1 ILE A 104 -11.458 10.482 -17.855 1.00 11.52 C ATOM 1015 CG2 ILE A 104 -11.078 9.675 -15.492 1.00 10.90 C ATOM 1016 CD1 ILE A 104 -10.222 11.284 -18.196 1.00 18.31 C ATOM 1017 H ILE A 104 -14.040 12.245 -16.936 1.00 0.00 H ATOM 1018 N LYS A 105 -14.422 9.586 -14.188 1.00 7.95 N ATOM 1019 CA LYS A 105 -14.836 9.753 -12.800 1.00 9.96 C ATOM 1020 C LYS A 105 -13.914 8.955 -11.900 1.00 9.19 C ATOM 1021 O LYS A 105 -13.589 7.800 -12.194 1.00 10.42 O ATOM 1022 CB LYS A 105 -16.292 9.306 -12.614 1.00 10.30 C ATOM 1023 CG LYS A 105 -17.284 10.176 -13.376 1.00 14.47 C ATOM 1024 CD LYS A 105 -18.722 9.902 -12.953 1.00 21.97 C ATOM 1025 CE LYS A 105 -19.701 10.704 -13.814 1.00 32.38 C ATOM 1026 NZ LYS A 105 -21.120 10.290 -13.594 1.00 36.46 N ATOM 1027 HZ1 LYS A 105 -21.228 9.284 -13.835 1.00 0.00 H ATOM 1028 HZ2 LYS A 105 -21.372 10.438 -12.596 1.00 0.00 H ATOM 1029 HZ3 LYS A 105 -21.744 10.861 -14.199 1.00 0.00 H ATOM 1030 H LYS A 105 -14.588 8.680 -14.672 1.00 0.00 H ATOM 1031 N ARG A 106 -13.484 9.583 -10.813 1.00 9.98 N ATOM 1032 CA ARG A 106 -12.591 8.955 -9.858 1.00 9.77 C ATOM 1033 C ARG A 106 -13.313 8.988 -8.519 1.00 10.86 C ATOM 1034 O ARG A 106 -13.760 10.046 -8.076 1.00 11.72 O ATOM 1035 CB ARG A 106 -11.261 9.717 -9.783 1.00 8.39 C ATOM 1036 CG ARG A 106 -10.408 9.635 -11.056 1.00 9.71 C ATOM 1037 CD ARG A 106 -9.196 10.559 -11.002 1.00 11.12 C ATOM 1038 NE ARG A 106 -8.342 10.505 -12.194 1.00 12.47 N ATOM 1039 CZ ARG A 106 -8.385 11.383 -13.195 1.00 11.27 C ATOM 1040 NH1 ARG A 106 -9.253 12.384 -13.179 1.00 12.92 N ATOM 1041 NH2 ARG A 106 -7.554 11.263 -14.225 1.00 15.01 N ATOM 1042 HE ARG A 106 -7.655 9.727 -12.262 1.00 0.00 H ATOM 1043 HH12 ARG A 106 -9.278 13.064 -13.966 1.00 0.00 H ATOM 1044 HH11 ARG A 106 -9.910 12.490 -12.380 1.00 0.00 H ATOM 1045 HH22 ARG A 106 -7.590 11.950 -15.005 1.00 0.00 H ATOM 1046 HH21 ARG A 106 -6.868 10.482 -14.251 1.00 0.00 H ATOM 1047 H ARG A 106 -13.798 10.559 -10.640 1.00 0.00 H ATOM 1048 N LYS A 107 -13.464 7.831 -7.890 1.00 11.96 N ATOM 1049 CA LYS A 107 -14.178 7.793 -6.623 1.00 12.89 C ATOM 1050 C LYS A 107 -13.593 6.767 -5.663 1.00 13.07 C ATOM 1051 O LYS A 107 -12.973 5.790 -6.075 1.00 13.87 O ATOM 1052 CB LYS A 107 -15.664 7.505 -6.838 1.00 17.59 C ATOM 1053 CG LYS A 107 -15.974 6.061 -7.166 1.00 24.32 C ATOM 1054 CD LYS A 107 -15.857 5.777 -8.657 1.00 39.14 C ATOM 1055 CE LYS A 107 -17.222 5.736 -9.334 1.00 40.38 C ATOM 1056 NZ LYS A 107 -17.965 7.019 -9.196 1.00 48.34 N ATOM 1057 HZ1 LYS A 107 -18.113 7.226 -8.188 1.00 0.00 H ATOM 1058 HZ2 LYS A 107 -17.414 7.786 -9.631 1.00 0.00 H ATOM 1059 HZ3 LYS A 107 -18.886 6.938 -9.673 1.00 0.00 H ATOM 1060 H LYS A 107 -13.075 6.957 -8.299 1.00 0.00 H ATOM 1061 N ARG A 108 -13.805 6.996 -4.376 1.00 14.28 N ATOM 1062 CA ARG A 108 -13.365 6.040 -3.372 1.00 16.17 C ATOM 1063 C ARG A 108 -14.455 5.010 -3.109 1.00 17.65 C ATOM 1064 O ARG A 108 -15.600 5.362 -2.823 1.00 23.20 O ATOM 1065 CB ARG A 108 -12.989 6.768 -2.085 1.00 23.16 C ATOM 1066 CG ARG A 108 -11.623 7.427 -2.132 1.00 17.87 C ATOM 1067 CD ARG A 108 -10.505 6.386 -1.974 1.00 21.52 C ATOM 1068 NE ARG A 108 -10.802 5.395 -0.932 1.00 22.54 N ATOM 1069 CZ ARG A 108 -10.449 5.518 0.345 1.00 28.37 C ATOM 1070 NH1 ARG A 108 -9.778 6.585 0.757 1.00 23.31 N ATOM 1071 NH2 ARG A 108 -10.771 4.574 1.218 1.00 30.41 N ATOM 1072 HE ARG A 108 -11.323 4.539 -1.211 1.00 0.00 H ATOM 1073 HH12 ARG A 108 -9.506 6.674 1.757 1.00 0.00 H ATOM 1074 HH11 ARG A 108 -9.524 7.333 0.080 1.00 0.00 H ATOM 1075 HH22 ARG A 108 -10.494 4.672 2.216 1.00 0.00 H ATOM 1076 HH21 ARG A 108 -11.300 3.735 0.905 1.00 0.00 H ATOM 1077 H ARG A 108 -14.290 7.867 -4.081 1.00 0.00 H ATOM 1078 N GLU A 109 -14.094 3.738 -3.230 1.00 16.74 N ATOM 1079 CA GLU A 109 -15.000 2.634 -2.933 1.00 17.13 C ATOM 1080 C GLU A 109 -14.252 1.667 -2.040 1.00 12.27 C ATOM 1081 O GLU A 109 -13.266 1.084 -2.471 1.00 14.20 O ATOM 1082 CB GLU A 109 -15.405 1.903 -4.210 1.00 24.00 C ATOM 1083 CG GLU A 109 -16.119 2.764 -5.241 1.00 33.58 C ATOM 1084 CD GLU A 109 -17.619 2.806 -5.027 1.00 46.94 C ATOM 1085 OE1 GLU A 109 -18.248 3.807 -5.441 1.00 52.83 O ATOM 1086 OE2 GLU A 109 -18.167 1.836 -4.454 1.00 43.65 O ATOM 1087 H GLU A 109 -13.128 3.520 -3.549 1.00 0.00 H ATOM 1088 N ASP A 110 -14.738 1.472 -0.813 1.00 16.47 N ATOM 1089 CA ASP A 110 -14.007 0.691 0.181 1.00 13.15 C ATOM 1090 C ASP A 110 -12.577 1.228 0.283 1.00 9.15 C ATOM 1091 O ASP A 110 -12.379 2.420 0.472 1.00 13.73 O ATOM 1092 CB ASP A 110 -14.028 -0.808 -0.146 1.00 15.93 C ATOM 1093 CG ASP A 110 -15.430 -1.393 -0.115 1.00 23.11 C ATOM 1094 OD1 ASP A 110 -16.236 -0.950 0.731 1.00 22.99 O ATOM 1095 OD2 ASP A 110 -15.730 -2.291 -0.936 1.00 33.14 O ATOM 1096 H ASP A 110 -15.658 1.885 -0.559 1.00 0.00 H ATOM 1097 N ASP A 111 -11.586 0.364 0.135 1.00 11.16 N ATOM 1098 CA ASP A 111 -10.206 0.812 0.247 1.00 15.12 C ATOM 1099 C ASP A 111 -9.623 1.065 -1.130 1.00 13.04 C ATOM 1100 O ASP A 111 -8.415 1.242 -1.281 1.00 14.31 O ATOM 1101 CB ASP A 111 -9.361 -0.218 0.989 1.00 17.36 C ATOM 1102 CG ASP A 111 -9.656 -0.249 2.478 1.00 17.44 C ATOM 1103 OD1 ASP A 111 -9.837 0.833 3.071 1.00 16.12 O ATOM 1104 OD2 ASP A 111 -9.702 -1.354 3.048 1.00 16.04 O ATOM 1105 H ASP A 111 -11.793 -0.636 -0.062 1.00 0.00 H ATOM 1106 N LYS A 112 -10.491 1.079 -2.132 1.00 12.47 N ATOM 1107 CA LYS A 112 -10.043 1.244 -3.512 1.00 11.03 C ATOM 1108 C LYS A 112 -10.315 2.634 -4.072 1.00 12.89 C ATOM 1109 O LYS A 112 -11.144 3.385 -3.558 1.00 12.89 O ATOM 1110 CB LYS A 112 -10.722 0.202 -4.397 1.00 12.79 C ATOM 1111 CG LYS A 112 -10.415 -1.234 -3.993 1.00 20.40 C ATOM 1112 CD LYS A 112 -11.374 -2.197 -4.655 1.00 20.87 C ATOM 1113 CE LYS A 112 -11.119 -3.620 -4.183 1.00 39.00 C ATOM 1114 NZ LYS A 112 -12.099 -4.573 -4.772 1.00 55.94 N ATOM 1115 HZ1 LYS A 112 -13.061 -4.299 -4.488 1.00 0.00 H ATOM 1116 HZ2 LYS A 112 -12.022 -4.550 -5.809 1.00 0.00 H ATOM 1117 HZ3 LYS A 112 -11.896 -5.534 -4.429 1.00 0.00 H ATOM 1118 H LYS A 112 -11.506 0.971 -1.932 1.00 0.00 H ATOM 1119 N LEU A 113 -9.597 2.976 -5.135 1.00 9.88 N ATOM 1120 CA LEU A 113 -9.933 4.164 -5.902 1.00 9.78 C ATOM 1121 C LEU A 113 -10.360 3.642 -7.266 1.00 11.66 C ATOM 1122 O LEU A 113 -9.589 2.975 -7.965 1.00 14.01 O ATOM 1123 CB LEU A 113 -8.741 5.129 -5.976 1.00 9.93 C ATOM 1124 CG LEU A 113 -8.956 6.525 -6.589 1.00 13.52 C ATOM 1125 CD1 LEU A 113 -7.848 7.473 -6.152 1.00 18.97 C ATOM 1126 CD2 LEU A 113 -8.993 6.455 -8.089 1.00 20.24 C ATOM 1127 H LEU A 113 -8.788 2.389 -5.421 1.00 0.00 H ATOM 1128 N VAL A 114 -11.613 3.905 -7.615 1.00 8.18 N ATOM 1129 CA VAL A 114 -12.190 3.374 -8.840 1.00 8.71 C ATOM 1130 C VAL A 114 -12.257 4.483 -9.889 1.00 9.96 C ATOM 1131 O VAL A 114 -12.727 5.590 -9.613 1.00 14.73 O ATOM 1132 CB VAL A 114 -13.596 2.792 -8.584 1.00 11.69 C ATOM 1133 CG1 VAL A 114 -14.229 2.310 -9.886 1.00 15.00 C ATOM 1134 CG2 VAL A 114 -13.521 1.639 -7.571 1.00 16.56 C ATOM 1135 H VAL A 114 -12.196 4.505 -6.998 1.00 0.00 H ATOM 1136 N VAL A 115 -11.751 4.193 -11.081 1.00 8.86 N ATOM 1137 CA VAL A 115 -11.765 5.157 -12.179 1.00 8.98 C ATOM 1138 C VAL A 115 -12.656 4.643 -13.297 1.00 10.37 C ATOM 1139 O VAL A 115 -12.423 3.562 -13.831 1.00 13.66 O ATOM 1140 CB VAL A 115 -10.356 5.381 -12.758 1.00 9.20 C ATOM 1141 CG1 VAL A 115 -10.378 6.523 -13.765 1.00 10.78 C ATOM 1142 CG2 VAL A 115 -9.364 5.665 -11.646 1.00 14.16 C ATOM 1143 H VAL A 115 -11.333 3.254 -11.238 1.00 0.00 H ATOM 1144 N GLU A 116 -13.667 5.429 -13.653 1.00 7.71 N ATOM 1145 CA GLU A 116 -14.628 5.039 -14.671 1.00 8.83 C ATOM 1146 C GLU A 116 -14.489 6.024 -15.820 1.00 10.63 C ATOM 1147 O GLU A 116 -14.678 7.221 -15.628 1.00 12.68 O ATOM 1148 CB GLU A 116 -16.036 5.087 -14.082 1.00 14.67 C ATOM 1149 CG GLU A 116 -17.162 4.837 -15.063 1.00 26.38 C ATOM 1150 CD GLU A 116 -18.528 5.111 -14.449 1.00 49.41 C ATOM 1151 OE1 GLU A 116 -18.576 5.591 -13.291 1.00 42.93 O ATOM 1152 OE2 GLU A 116 -19.551 4.843 -15.120 1.00 44.86 O ATOM 1153 H GLU A 116 -13.774 6.353 -13.188 1.00 0.00 H ATOM 1154 N CYS A 117 -14.127 5.525 -17.003 1.00 10.26 N ATOM 1155 CA CYS A 117 -13.901 6.386 -18.161 1.00 14.41 C ATOM 1156 C CYS A 117 -15.013 6.127 -19.159 1.00 13.94 C ATOM 1157 O CYS A 117 -15.246 4.975 -19.529 1.00 13.75 O ATOM 1158 CB CYS A 117 -12.552 6.065 -18.819 1.00 14.15 C ATOM 1159 SG CYS A 117 -11.130 6.134 -17.697 1.00 23.30 S ATOM 1160 H CYS A 117 -14.003 4.497 -17.103 1.00 0.00 H ATOM 1161 N VAL A 118 -15.689 7.188 -19.594 1.00 11.54 N ATOM 1162 CA VAL A 118 -16.819 7.047 -20.501 1.00 10.15 C ATOM 1163 C VAL A 118 -16.617 7.877 -21.766 1.00 13.10 C ATOM 1164 O VAL A 118 -16.247 9.051 -21.710 1.00 13.85 O ATOM 1165 CB VAL A 118 -18.155 7.470 -19.835 1.00 14.38 C ATOM 1166 CG1 VAL A 118 -19.309 7.336 -20.820 1.00 24.93 C ATOM 1167 CG2 VAL A 118 -18.427 6.640 -18.591 1.00 19.51 C ATOM 1168 H VAL A 118 -15.404 8.137 -19.279 1.00 0.00 H ATOM 1169 N MET A 119 -16.857 7.249 -22.911 1.00 12.33 N ATOM 1170 CA MET A 119 -16.825 7.948 -24.191 1.00 14.73 C ATOM 1171 C MET A 119 -17.873 7.321 -25.108 1.00 20.32 C ATOM 1172 O MET A 119 -17.757 6.147 -25.448 1.00 18.67 O ATOM 1173 CB MET A 119 -15.446 7.778 -24.821 1.00 14.94 C ATOM 1174 CG MET A 119 -15.357 8.189 -26.273 1.00 23.13 C ATOM 1175 SD MET A 119 -14.907 9.915 -26.316 1.00 19.81 S ATOM 1176 CE MET A 119 -14.911 10.281 -28.066 1.00 23.05 C ATOM 1177 H MET A 119 -17.074 6.232 -22.895 1.00 0.00 H ATOM 1178 N LYS A 120 -18.894 8.093 -25.487 1.00 25.46 N ATOM 1179 CA LYS A 120 -19.860 7.661 -26.512 1.00 27.28 C ATOM 1180 C LYS A 120 -20.476 6.273 -26.273 1.00 34.57 C ATOM 1181 O LYS A 120 -20.494 5.430 -27.179 1.00 32.86 O ATOM 1182 CB LYS A 120 -19.205 7.658 -27.894 1.00 30.87 C ATOM 1183 CG LYS A 120 -19.158 9.003 -28.594 1.00 32.13 C ATOM 1184 CD LYS A 120 -18.685 8.819 -30.030 1.00 46.10 C ATOM 1185 CE LYS A 120 -19.135 9.959 -30.927 1.00 53.27 C ATOM 1186 NZ LYS A 120 -18.865 9.654 -32.359 1.00 56.27 N ATOM 1187 HZ1 LYS A 120 -17.844 9.507 -32.494 1.00 0.00 H ATOM 1188 HZ2 LYS A 120 -19.380 8.793 -32.632 1.00 0.00 H ATOM 1189 HZ3 LYS A 120 -19.183 10.450 -32.948 1.00 0.00 H ATOM 1190 H LYS A 120 -19.011 9.027 -25.045 1.00 0.00 H ATOM 1191 N GLY A 121 -20.969 6.032 -25.067 1.00 26.62 N ATOM 1192 CA GLY A 121 -21.619 4.767 -24.771 1.00 24.53 C ATOM 1193 C GLY A 121 -20.668 3.680 -24.305 1.00 17.62 C ATOM 1194 O GLY A 121 -21.107 2.633 -23.825 1.00 16.27 O ATOM 1195 H GLY A 121 -20.890 6.756 -24.325 1.00 0.00 H ATOM 1196 N VAL A 122 -19.367 3.910 -24.459 1.00 15.87 N ATOM 1197 CA VAL A 122 -18.366 2.923 -24.043 1.00 14.94 C ATOM 1198 C VAL A 122 -17.737 3.305 -22.706 1.00 23.20 C ATOM 1199 O VAL A 122 -17.206 4.405 -22.562 1.00 15.99 O ATOM 1200 CB VAL A 122 -17.240 2.790 -25.078 1.00 12.97 C ATOM 1201 CG1 VAL A 122 -16.171 1.825 -24.576 1.00 16.30 C ATOM 1202 CG2 VAL A 122 -17.803 2.351 -26.435 1.00 21.51 C ATOM 1203 H VAL A 122 -19.054 4.807 -24.882 1.00 0.00 H ATOM 1204 N THR A 123 -17.781 2.389 -21.743 1.00 13.51 N ATOM 1205 CA THR A 123 -17.238 2.645 -20.409 1.00 13.06 C ATOM 1206 C THR A 123 -16.105 1.677 -20.089 1.00 19.32 C ATOM 1207 O THR A 123 -16.169 0.498 -20.431 1.00 21.68 O ATOM 1208 CB THR A 123 -18.329 2.515 -19.342 1.00 14.37 C ATOM 1209 OG1 THR A 123 -19.381 3.440 -19.636 1.00 27.45 O ATOM 1210 CG2 THR A 123 -17.772 2.805 -17.947 1.00 18.06 C ATOM 1211 HG1 THR A 123 -19.759 3.235 -20.528 1.00 0.00 H ATOM 1212 H THR A 123 -18.214 1.465 -21.944 1.00 0.00 H ATOM 1213 N SER A 124 -15.059 2.183 -19.446 1.00 13.50 N ATOM 1214 CA SER A 124 -13.989 1.332 -18.939 1.00 12.72 C ATOM 1215 C SER A 124 -13.850 1.565 -17.445 1.00 15.23 C ATOM 1216 O SER A 124 -13.953 2.703 -16.977 1.00 12.05 O ATOM 1217 CB SER A 124 -12.671 1.658 -19.644 1.00 13.80 C ATOM 1218 OG SER A 124 -11.566 1.066 -18.982 1.00 13.24 O ATOM 1219 HG SER A 124 -11.679 0.083 -18.968 1.00 0.00 H ATOM 1220 H SER A 124 -15.002 3.211 -19.301 1.00 0.00 H ATOM 1221 N THR A 125 -13.636 0.490 -16.693 1.00 13.42 N ATOM 1222 CA THR A 125 -13.440 0.596 -15.250 1.00 10.34 C ATOM 1223 C THR A 125 -12.027 0.179 -14.867 1.00 12.18 C ATOM 1224 O THR A 125 -11.582 -0.923 -15.194 1.00 14.25 O ATOM 1225 CB THR A 125 -14.438 -0.282 -14.491 1.00 16.76 C ATOM 1226 OG1 THR A 125 -15.766 0.111 -14.838 1.00 20.22 O ATOM 1227 CG2 THR A 125 -14.237 -0.141 -12.984 1.00 18.92 C ATOM 1228 HG1 THR A 125 -16.415 -0.455 -14.349 1.00 0.00 H ATOM 1229 H THR A 125 -13.608 -0.447 -17.142 1.00 0.00 H ATOM 1230 N ARG A 126 -11.319 1.075 -14.193 1.00 9.05 N ATOM 1231 CA ARG A 126 -9.973 0.781 -13.728 1.00 9.49 C ATOM 1232 C ARG A 126 -9.908 0.923 -12.221 1.00 11.73 C ATOM 1233 O ARG A 126 -10.378 1.910 -11.650 1.00 14.02 O ATOM 1234 CB ARG A 126 -8.941 1.662 -14.423 1.00 12.65 C ATOM 1235 CG ARG A 126 -8.590 1.102 -15.804 1.00 15.77 C ATOM 1236 CD ARG A 126 -8.134 2.154 -16.774 1.00 20.10 C ATOM 1237 NE ARG A 126 -6.734 2.538 -16.621 1.00 17.85 N ATOM 1238 CZ ARG A 126 -5.702 1.872 -17.132 1.00 17.00 C ATOM 1239 NH1 ARG A 126 -5.895 0.750 -17.813 1.00 17.95 N ATOM 1240 NH2 ARG A 126 -4.470 2.332 -16.953 1.00 13.45 N ATOM 1241 HE ARG A 126 -6.528 3.397 -16.071 1.00 0.00 H ATOM 1242 HH12 ARG A 126 -5.082 0.236 -18.209 1.00 0.00 H ATOM 1243 HH11 ARG A 126 -6.859 0.385 -17.951 1.00 0.00 H ATOM 1244 HH22 ARG A 126 -3.659 1.816 -17.350 1.00 0.00 H ATOM 1245 HH21 ARG A 126 -4.315 3.209 -16.416 1.00 0.00 H ATOM 1246 H ARG A 126 -11.735 2.007 -13.993 1.00 0.00 H ATOM 1247 N VAL A 127 -9.339 -0.084 -11.577 1.00 10.18 N ATOM 1248 CA VAL A 127 -9.352 -0.116 -10.123 1.00 10.13 C ATOM 1249 C VAL A 127 -7.940 -0.032 -9.572 1.00 12.58 C ATOM 1250 O VAL A 127 -7.047 -0.769 -10.005 1.00 11.59 O ATOM 1251 CB VAL A 127 -10.063 -1.377 -9.608 1.00 12.11 C ATOM 1252 CG1 VAL A 127 -10.024 -1.438 -8.068 1.00 12.05 C ATOM 1253 CG2 VAL A 127 -11.496 -1.390 -10.110 1.00 11.64 C ATOM 1254 H VAL A 127 -8.883 -0.852 -12.110 1.00 0.00 H ATOM 1255 N TYR A 128 -7.754 0.887 -8.627 1.00 10.13 N ATOM 1256 CA TYR A 128 -6.475 1.108 -7.979 1.00 10.50 C ATOM 1257 C TYR A 128 -6.565 0.736 -6.507 1.00 13.40 C ATOM 1258 O TYR A 128 -7.591 0.962 -5.867 1.00 13.54 O ATOM 1259 CB TYR A 128 -6.082 2.585 -8.082 1.00 8.96 C ATOM 1260 CG TYR A 128 -5.597 2.998 -9.455 1.00 8.56 C ATOM 1261 CD1 TYR A 128 -6.491 3.252 -10.489 1.00 11.23 C ATOM 1262 CD2 TYR A 128 -4.236 3.157 -9.705 1.00 11.59 C ATOM 1263 CE1 TYR A 128 -6.034 3.643 -11.751 1.00 11.41 C ATOM 1264 CE2 TYR A 128 -3.773 3.549 -10.948 1.00 9.60 C ATOM 1265 CZ TYR A 128 -4.677 3.784 -11.966 1.00 11.91 C ATOM 1266 OH TYR A 128 -4.214 4.163 -13.203 1.00 14.48 O ATOM 1267 HH TYR A 128 -4.981 4.291 -13.816 1.00 0.00 H ATOM 1268 H TYR A 128 -8.563 1.474 -8.340 1.00 0.00 H ATOM 1269 N GLU A 129 -5.482 0.182 -5.973 1.00 14.77 N ATOM 1270 CA GLU A 129 -5.377 -0.095 -4.542 1.00 12.02 C ATOM 1271 C GLU A 129 -4.210 0.692 -3.965 1.00 12.63 C ATOM 1272 O GLU A 129 -3.350 1.165 -4.701 1.00 14.72 O ATOM 1273 CB GLU A 129 -5.170 -1.591 -4.292 1.00 15.78 C ATOM 1274 CG GLU A 129 -6.448 -2.406 -4.331 1.00 25.47 C ATOM 1275 CD GLU A 129 -6.195 -3.903 -4.226 1.00 38.19 C ATOM 1276 OE1 GLU A 129 -5.050 -4.305 -3.904 1.00 31.58 O ATOM 1277 OE2 GLU A 129 -7.144 -4.675 -4.474 1.00 44.00 O ATOM 1278 H GLU A 129 -4.684 -0.062 -6.593 1.00 0.00 H ATOM 1279 N ARG A 130 -4.178 0.840 -2.644 1.00 14.66 N ATOM 1280 CA ARG A 130 -3.091 1.588 -2.018 1.00 12.83 C ATOM 1281 C ARG A 130 -1.779 0.855 -2.239 1.00 23.35 C ATOM 1282 O ARG A 130 -1.738 -0.377 -2.224 1.00 20.60 O ATOM 1283 CB ARG A 130 -3.361 1.819 -0.525 1.00 16.67 C ATOM 1284 CG ARG A 130 -4.586 2.682 -0.274 1.00 18.84 C ATOM 1285 CD ARG A 130 -4.355 3.674 0.851 1.00 26.48 C ATOM 1286 NE ARG A 130 -5.505 4.553 1.056 1.00 24.26 N ATOM 1287 CZ ARG A 130 -5.501 5.858 0.799 1.00 18.70 C ATOM 1288 NH1 ARG A 130 -4.406 6.437 0.330 1.00 16.68 N ATOM 1289 NH2 ARG A 130 -6.590 6.584 1.015 1.00 21.80 N ATOM 1290 HE ARG A 130 -6.381 4.132 1.426 1.00 0.00 H ATOM 1291 HH12 ARG A 130 -4.403 7.457 0.129 1.00 0.00 H ATOM 1292 HH11 ARG A 130 -3.550 5.871 0.163 1.00 0.00 H ATOM 1293 HH22 ARG A 130 -6.583 7.604 0.813 1.00 0.00 H ATOM 1294 HH21 ARG A 130 -7.450 6.133 1.386 1.00 0.00 H ATOM 1295 H ARG A 130 -4.928 0.423 -2.056 1.00 0.00 H ATOM 1296 N ALA A 131 -0.716 1.615 -2.479 1.00 13.94 N ATOM 1297 CA ALA A 131 0.596 1.036 -2.738 1.00 22.60 C ATOM 1298 C ALA A 131 1.338 0.809 -1.431 1.00 29.65 C ATOM 1299 O ALA A 131 0.776 1.010 -0.351 1.00 34.61 O ATOM 1300 CB ALA A 131 1.400 1.938 -3.654 1.00 27.01 C ATOM 1301 H ALA A 131 -0.823 2.649 -2.482 1.00 0.00 H TER 1302 ALA A 131 HETATM 1303 O HOH 1 2.085 20.313 -11.600 1.00 24.64 O HETATM 1304 O HOH 2 1.297 6.014 -17.913 1.00 22.05 O HETATM 1305 O HOH 3 -7.035 27.570 -12.235 1.00 19.04 O HETATM 1306 O HOH 4 -15.490 -6.149 -19.249 1.00 23.86 O HETATM 1307 O HOH 5 -7.537 3.129 1.152 1.00 31.09 O HETATM 1308 O HOH 6 3.726 -1.478 -19.479 1.00 16.98 O HETATM 1309 O HOH 7 -9.247 3.290 2.757 1.00 29.00 O HETATM 1310 O HOH 8 -17.914 -1.987 -20.010 1.00 21.85 O HETATM 1311 O HOH 9 -19.934 10.181 -2.178 1.00 23.85 O HETATM 1312 O HOH 10 -2.563 13.811 -17.955 1.00 17.27 O HETATM 1313 O HOH 11 0.921 18.552 -4.028 1.00 21.93 O HETATM 1314 O HOH 12 6.894 5.075 -23.617 1.00 27.73 O HETATM 1315 O HOH 13 0.188 -5.514 -17.658 1.00 22.51 O HETATM 1316 O HOH 14 -6.210 -0.161 -1.174 1.00 23.89 O HETATM 1317 O HOH 15 -9.174 9.964 -21.621 1.00 11.38 O HETATM 1318 O HOH 16 -9.753 23.128 -5.676 1.00 13.97 O HETATM 1319 O HOH 17 -9.073 -3.699 1.970 1.00 26.77 O HETATM 1320 O HOH 18 -18.021 13.660 -22.069 1.00 24.81 O HETATM 1321 O HOH 19 -0.147 3.445 0.281 1.00 25.94 O HETATM 1322 O HOH 20 -0.653 8.695 -29.355 1.00 30.58 O HETATM 1323 O HOH 21 -2.959 0.813 -18.647 1.00 17.96 O HETATM 1324 O HOH 22 -1.121 6.846 -16.802 1.00 22.14 O HETATM 1325 O HOH 23 -6.213 8.679 -13.006 1.00 21.57 O HETATM 1326 O HOH 24 -1.865 9.659 -17.138 1.00 14.82 O HETATM 1327 O HOH 25 -1.707 12.599 -14.477 1.00 14.62 O HETATM 1328 O HOH 26 -7.299 -3.327 -30.501 1.00 28.84 O HETATM 1329 O HOH 27 -2.701 6.495 -13.292 1.00 23.76 O HETATM 1330 O HOH 28 -4.709 9.506 -29.199 1.00 19.48 O HETATM 1331 O HOH 29 -6.337 21.866 1.214 1.00 32.65 O HETATM 1332 O HOH 30 -1.105 20.187 -5.335 1.00 15.55 O HETATM 1333 O HOH 31 -5.924 12.567 -16.664 1.00 14.93 O HETATM 1334 O HOH 32 -21.169 1.915 -21.176 1.00 31.24 O HETATM 1335 O HOH 33 -6.245 9.256 1.804 1.00 20.76 O HETATM 1336 O HOH 34 -4.489 24.161 -13.505 1.00 13.66 O HETATM 1337 O HOH 35 -11.890 12.408 -12.218 1.00 10.43 O HETATM 1338 O HOH 36 0.723 14.275 -6.379 1.00 15.59 O HETATM 1339 O HOH 37 -3.102 -2.839 -17.620 1.00 28.01 O HETATM 1340 O HOH 38 -21.778 12.037 -7.820 1.00 33.56 O HETATM 1341 O HOH 39 -4.147 27.147 -2.628 1.00 20.84 O HETATM 1342 O HOH 40 -6.087 27.237 -15.580 1.00 17.45 O HETATM 1343 O HOH 41 -13.644 26.614 -15.787 1.00 15.03 O HETATM 1344 O HOH 42 -14.924 1.219 -29.111 1.00 23.32 O HETATM 1345 O HOH 43 -16.308 18.602 -14.328 1.00 16.78 O HETATM 1346 O HOH 44 3.769 -0.927 -22.226 1.00 12.92 O HETATM 1347 O HOH 45 -11.293 -5.852 -20.798 1.00 23.40 O HETATM 1348 O HOH 46 -4.796 -2.284 -25.432 1.00 26.70 O HETATM 1349 O HOH 47 -1.599 26.068 -2.417 1.00 22.42 O HETATM 1350 O HOH 48 -9.041 11.616 -30.843 1.00 25.99 O HETATM 1351 O HOH 49 -3.751 3.264 -35.680 1.00 21.88 O HETATM 1352 O HOH 50 -15.432 9.184 -3.371 1.00 23.13 O HETATM 1353 O HOH 51 -11.635 -3.138 -13.436 1.00 17.26 O HETATM 1354 O HOH 52 -4.712 16.521 -29.668 1.00 27.20 O HETATM 1355 O HOH 53 -10.425 21.928 -12.993 1.00 8.79 O HETATM 1356 O HOH 54 -5.405 -1.963 -19.864 1.00 28.80 O HETATM 1357 O HOH 55 -2.343 -4.082 -24.705 1.00 21.89 O HETATM 1358 O HOH 56 -1.724 15.926 0.142 1.00 16.86 O HETATM 1359 O HOH 57 -3.006 11.366 -19.055 1.00 15.57 O HETATM 1360 O HOH 58 -12.949 21.247 -20.246 1.00 19.46 O HETATM 1361 O HOH 59 2.240 15.540 -17.753 1.00 22.81 O HETATM 1362 O HOH 60 7.982 5.684 -14.568 1.00 26.68 O HETATM 1363 O HOH 61 7.026 9.997 -19.882 1.00 32.17 O HETATM 1364 O HOH 62 -1.623 5.789 -0.086 1.00 18.14 O HETATM 1365 O HOH 63 -7.132 24.631 -12.716 1.00 11.80 O HETATM 1366 O HOH 64 -15.852 -2.669 3.030 1.00 19.41 O HETATM 1367 O HOH 65 -5.214 22.266 -24.425 1.00 22.04 O HETATM 1368 O HOH 66 -13.007 28.370 -8.210 1.00 30.10 O HETATM 1369 O HOH 67 -18.634 10.986 -24.979 1.00 31.01 O HETATM 1370 O HOH 68 1.706 8.622 -26.323 1.00 31.67 O HETATM 1371 O HOH 69 -8.892 -3.183 -19.983 1.00 17.04 O HETATM 1372 O HOH 70 -16.235 21.329 -7.533 1.00 17.42 O HETATM 1373 O HOH 71 -11.351 -2.469 -0.575 1.00 20.80 O HETATM 1374 O HOH 72 -0.434 15.805 -18.288 1.00 29.70 O HETATM 1375 O HOH 73 -3.354 5.346 -16.454 1.00 25.60 O HETATM 1376 O HOH 74 -9.079 4.528 -32.737 1.00 27.24 O HETATM 1377 O HOH 75 -0.611 4.773 -32.368 1.00 18.83 O HETATM 1378 O HOH 76 -9.301 -3.999 -22.844 1.00 24.93 O HETATM 1379 O HOH 77 -8.804 20.722 -29.893 1.00 24.98 O HETATM 1380 O HOH 78 -3.722 9.116 -15.239 1.00 24.75 O HETATM 1381 O HOH 79 -2.299 21.913 2.132 1.00 25.29 O HETATM 1382 O HOH 80 -17.696 13.106 -28.026 1.00 23.87 O HETATM 1383 O HOH 81 2.645 19.663 -1.972 1.00 24.94 O HETATM 1384 O HOH 82 -0.483 18.170 -18.895 1.00 26.34 O HETATM 1385 O HOH 83 -18.903 16.785 -2.796 1.00 24.75 O HETATM 1386 O HOH 84 -15.758 19.552 -27.461 1.00 29.51 O HETATM 1387 O HOH 85 -3.214 -5.225 -22.248 1.00 32.24 O HETATM 1388 O HOH 86 0.509 17.753 0.741 1.00 32.13 O HETATM 1389 O HOH 87 -4.322 11.652 -14.717 1.00 23.93 O HETATM 1390 O HOH 88 -17.618 8.722 -16.183 1.00 20.41 O HETATM 1391 O HOH 89 -6.299 -2.491 -22.392 1.00 28.53 O HETATM 1392 OAB UNN A 90 -5.871 4.589 -15.067 1.00 -0.57 O HETATM 1393 CAR UNN A 90 -6.151 5.773 -15.365 1.00 0.03 C HETATM 1394 OAE UNN A 90 -5.576 6.732 -14.784 1.00 -0.57 O HETATM 1395 CAO UNN A 90 -7.156 6.056 -16.417 1.00 0.00 C HETATM 1396 CAM UNN A 90 -7.979 7.305 -16.207 1.00 -0.04 C HETATM 1397 CAL UNN A 90 -7.773 8.442 -17.173 1.00 -0.03 C HETATM 1398 CAN UNN A 90 -7.813 8.121 -18.631 1.00 0.03 C HETATM 1399 NAP UNN A 90 -7.665 9.338 -19.563 1.00 -0.25 N HETATM 1400 SAW UNN A 90 -6.122 9.795 -19.696 1.00 0.06 S HETATM 1401 OAC UNN A 90 -5.605 10.365 -18.429 1.00 -0.15 O HETATM 1402 OAD UNN A 90 -6.046 10.777 -20.787 1.00 -0.15 O HETATM 1403 CAT UNN A 90 -5.101 8.312 -20.077 1.00 0.10 C HETATM 1404 CAV UNN A 90 -5.170 7.654 -21.297 1.00 0.00 C HETATM 1405 CAK UNN A 90 -6.046 8.106 -22.347 1.00 -0.06 C HETATM 1406 CAG UNN A 90 -6.087 7.456 -23.532 1.00 -0.06 C HETATM 1407 CAF UNN A 90 -5.252 6.306 -23.745 1.00 -0.06 C HETATM 1408 CAJ UNN A 90 -4.420 5.867 -22.732 1.00 -0.05 C HETATM 1409 CAU UNN A 90 -4.373 6.556 -21.506 1.00 0.02 C HETATM 1410 CAS UNN A 90 -3.506 6.106 -20.480 1.00 0.10 C HETATM 1411 OAQ UNN A 90 -2.706 4.989 -20.697 1.00 -0.32 O HETATM 1412 CAA UNN A 90 -2.062 4.398 -19.643 1.00 0.06 C HETATM 1413 H14 UNN A 90 -1.482 3.536 -20.005 1.00 0.06 H HETATM 1414 H15 UNN A 90 -2.803 4.057 -18.905 1.00 0.06 H HETATM 1415 H16 UNN A 90 -1.384 5.126 -19.173 1.00 0.06 H HETATM 1416 CAH UNN A 90 -3.455 6.750 -19.276 1.00 -0.03 C HETATM 1417 CAI UNN A 90 -4.247 7.859 -19.068 1.00 -0.05 C HETATM 1418 H18 UNN A 90 -4.207 8.381 -18.119 1.00 0.06 H HETATM 1419 H17 UNN A 90 -2.798 6.392 -18.492 1.00 0.05 H HETATM 1420 H13 UNN A 90 -3.802 4.989 -22.883 1.00 0.06 H HETATM 1421 H12 UNN A 90 -5.274 5.785 -24.695 1.00 0.06 H HETATM 1422 H11 UNN A 90 -6.748 7.801 -24.319 1.00 0.06 H HETATM 1423 H10 UNN A 90 -6.677 8.973 -22.186 1.00 0.06 H HETATM 1424 H9 UNN A 90 -8.428 9.788 -20.027 1.00 0.17 H HETATM 1425 H7 UNN A 90 -8.777 7.638 -18.849 1.00 0.05 H HETATM 1426 H8 UNN A 90 -6.994 7.420 -18.850 1.00 0.05 H HETATM 1427 H5 UNN A 90 -6.788 8.882 -16.959 1.00 0.03 H HETATM 1428 H6 UNN A 90 -8.558 9.187 -16.978 1.00 0.03 H HETATM 1429 H3 UNN A 90 -7.753 7.683 -15.199 1.00 0.03 H HETATM 1430 H4 UNN A 90 -9.039 7.015 -16.261 1.00 0.03 H HETATM 1431 H1 UNN A 90 -7.845 5.200 -16.467 1.00 0.04 H HETATM 1432 H2 UNN A 90 -6.625 6.156 -17.375 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1392 1393 CONECT 1393 1392 1394 1395 CONECT 1394 1393 CONECT 1395 1393 1396 1431 1432 CONECT 1396 1395 1397 1429 1430 CONECT 1397 1396 1398 1427 1428 CONECT 1398 1397 1399 1425 1426 CONECT 1399 1398 1400 1424 CONECT 1400 1399 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 1404 1417 CONECT 1404 1403 1405 1409 CONECT 1405 1404 1406 1423 CONECT 1406 1405 1407 1422 CONECT 1407 1406 1408 1421 CONECT 1408 1407 1409 1420 CONECT 1409 1404 1408 1410 CONECT 1410 1409 1411 1416 CONECT 1411 1410 1412 CONECT 1412 1411 1413 1414 1415 CONECT 1413 1412 CONECT 1414 1412 CONECT 1415 1412 CONECT 1416 1410 1417 1419 CONECT 1417 1403 1416 1418 CONECT 1418 1417 CONECT 1419 1416 CONECT 1420 1408 CONECT 1421 1407 CONECT 1422 1406 CONECT 1423 1405 CONECT 1424 1399 CONECT 1425 1398 CONECT 1426 1398 CONECT 1427 1397 CONECT 1428 1397 CONECT 1429 1396 CONECT 1430 1396 CONECT 1431 1395 CONECT 1432 1395 MASTER 0 0 0 0 0 0 0 0 1431 1 45 11 END
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Related entries of code: 5y12
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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PDBbind
152aa, >5D48_1|Chain... at 100%
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PDBbind
152aa, >5D4A_1|Chain... at 100%
5hz8
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PDBbind
135aa, >5HZ8_1|Chain... at 94%
5y0f
RCSB PDB
PDBbind
152aa, >5Y0F_1|Chain... at 100%
5y0g
RCSB PDB
PDBbind
152aa, >5Y0G_1|Chain... at 100%
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PDBbind
152aa, >5Y0X_1|Chain... at 100%
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5y12
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Fatty acid binding protein 4
Ligand Name
8JX
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=0.59uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 154: pp. 44-59
Ligand Properties
Formula
C
1
6
H
1
9
NO
5
S
Molecular Weight
337.391
Exact Mass
337.098
No. of atoms
42
No. of bonds
43
Polar Surface Area
101.08
LOGP Value
3.76 (
Computed with XLOGP3
)
3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O
InChI String
InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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