Browse entries in the PDBbind-CN Database
HEADER 6GJ8_COMPLEX COMPND 6GJ8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 169 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA ASP SEQRES 2 A 169 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 A 169 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 A 169 SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS SEQRES 5 A 169 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 A 169 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 A 169 PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 A 169 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 A 169 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 A 169 LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 A 169 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 A 169 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 A 169 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU HET MG A 1 1 HET F A 0K 68 ATOM 1 N GLY A 0 36.825 9.509 -17.781 1.00 25.57 N ATOM 2 CA GLY A 0 36.119 9.817 -19.019 1.00 24.56 C ATOM 3 C GLY A 0 35.012 10.842 -18.863 1.00 26.10 C ATOM 4 O GLY A 0 35.055 11.675 -17.949 1.00 25.83 O ATOM 5 HN3 GLY A 0 36.152 9.130 -17.085 1.00 0.00 H ATOM 6 HN2 GLY A 0 37.261 10.376 -17.407 1.00 0.00 H ATOM 7 HN1 GLY A 0 37.564 8.802 -17.971 1.00 0.00 H ATOM 8 N MET A 1 34.018 10.791 -19.775 1.00 20.33 N ATOM 9 CA MET A 1 32.868 11.699 -19.798 1.00 18.20 C ATOM 10 C MET A 1 31.568 10.891 -19.713 1.00 15.92 C ATOM 11 O MET A 1 31.352 9.991 -20.514 1.00 14.01 O ATOM 12 CB MET A 1 32.903 12.559 -21.061 1.00 21.42 C ATOM 13 CG MET A 1 31.963 13.738 -21.031 1.00 25.49 C ATOM 14 SD MET A 1 32.638 15.208 -21.861 1.00 31.29 S ATOM 15 CE MET A 1 32.598 14.706 -23.443 1.00 28.17 C ATOM 16 H MET A 1 34.072 10.058 -20.511 1.00 0.00 H ATOM 17 N THR A 2 30.712 11.223 -18.741 1.00 9.98 N ATOM 18 CA THR A 2 29.469 10.501 -18.503 1.00 8.85 C ATOM 19 C THR A 2 28.342 11.463 -18.217 1.00 11.00 C ATOM 20 O THR A 2 28.506 12.405 -17.424 1.00 9.24 O ATOM 21 CB THR A 2 29.651 9.536 -17.306 1.00 15.81 C ATOM 22 OG1 THR A 2 30.789 8.703 -17.531 1.00 13.83 O ATOM 23 CG2 THR A 2 28.415 8.664 -17.034 1.00 15.49 C ATOM 24 HG1 THR A 2 30.654 8.178 -18.360 1.00 0.00 H ATOM 25 H THR A 2 30.943 12.031 -18.129 1.00 0.00 H ATOM 26 N GLU A 3 27.186 11.203 -18.842 1.00 8.87 N ATOM 27 CA GLU A 3 25.982 11.973 -18.580 1.00 7.86 C ATOM 28 C GLU A 3 25.238 11.354 -17.409 1.00 11.09 C ATOM 29 O GLU A 3 25.183 10.124 -17.284 1.00 10.54 O ATOM 30 CB GLU A 3 25.055 11.978 -19.791 1.00 9.04 C ATOM 31 CG GLU A 3 25.462 12.978 -20.839 1.00 12.16 C ATOM 32 CD GLU A 3 24.509 13.090 -22.010 1.00 19.31 C ATOM 33 OE1 GLU A 3 24.886 13.774 -22.981 1.00 11.19 O ATOM 34 OE2 GLU A 3 23.403 12.500 -21.976 1.00 12.96 O ATOM 35 H GLU A 3 27.149 10.428 -19.534 1.00 0.00 H ATOM 36 N TYR A 4 24.642 12.203 -16.571 1.00 6.92 N ATOM 37 CA TYR A 4 23.831 11.770 -15.434 1.00 5.96 C ATOM 38 C TYR A 4 22.511 12.512 -15.485 1.00 9.70 C ATOM 39 O TYR A 4 22.506 13.755 -15.463 1.00 9.59 O ATOM 40 CB TYR A 4 24.535 12.064 -14.101 1.00 6.51 C ATOM 41 CG TYR A 4 25.749 11.199 -13.859 1.00 7.83 C ATOM 42 CD1 TYR A 4 25.631 9.956 -13.247 1.00 10.14 C ATOM 43 CD2 TYR A 4 27.019 11.626 -14.236 1.00 8.97 C ATOM 44 CE1 TYR A 4 26.746 9.148 -13.030 1.00 10.80 C ATOM 45 CE2 TYR A 4 28.141 10.824 -14.032 1.00 9.64 C ATOM 46 CZ TYR A 4 28.000 9.590 -13.416 1.00 15.99 C ATOM 47 OH TYR A 4 29.101 8.807 -13.175 1.00 14.05 O ATOM 48 HH TYR A 4 29.730 9.296 -12.587 1.00 0.00 H ATOM 49 H TYR A 4 24.760 13.223 -16.734 1.00 0.00 H ATOM 50 N LYS A 5 21.397 11.761 -15.577 1.00 6.14 N ATOM 51 CA LYS A 5 20.060 12.358 -15.581 1.00 4.78 C ATOM 52 C LYS A 5 19.532 12.459 -14.153 1.00 7.41 C ATOM 53 O LYS A 5 19.189 11.442 -13.536 1.00 7.64 O ATOM 54 CB LYS A 5 19.096 11.602 -16.502 1.00 6.18 C ATOM 55 CG LYS A 5 19.135 12.101 -17.939 1.00 6.97 C ATOM 56 CD LYS A 5 18.053 11.421 -18.758 1.00 10.47 C ATOM 57 CE LYS A 5 17.756 12.115 -20.065 1.00 15.39 C ATOM 58 NZ LYS A 5 18.851 11.951 -21.052 1.00 17.31 N ATOM 59 HZ1 LYS A 5 19.728 12.354 -20.665 1.00 0.00 H ATOM 60 HZ2 LYS A 5 18.990 10.939 -21.249 1.00 0.00 H ATOM 61 HZ3 LYS A 5 18.600 12.445 -21.932 1.00 0.00 H ATOM 62 H LYS A 5 21.489 10.727 -15.647 1.00 0.00 H ATOM 63 N LEU A 6 19.534 13.680 -13.611 1.00 4.15 N ATOM 64 CA LEU A 6 19.095 13.947 -12.231 1.00 3.93 C ATOM 65 C LEU A 6 17.736 14.595 -12.257 1.00 7.57 C ATOM 66 O LEU A 6 17.442 15.397 -13.151 1.00 7.83 O ATOM 67 CB LEU A 6 20.086 14.887 -11.485 1.00 4.06 C ATOM 68 CG LEU A 6 21.594 14.651 -11.653 1.00 8.93 C ATOM 69 CD1 LEU A 6 22.388 15.624 -10.790 1.00 8.77 C ATOM 70 CD2 LEU A 6 21.983 13.232 -11.292 1.00 11.81 C ATOM 71 H LEU A 6 19.861 14.479 -14.191 1.00 0.00 H ATOM 72 N VAL A 7 16.902 14.258 -11.276 1.00 4.64 N ATOM 73 CA VAL A 7 15.561 14.829 -11.164 1.00 3.91 C ATOM 74 C VAL A 7 15.411 15.467 -9.800 1.00 6.75 C ATOM 75 O VAL A 7 15.756 14.833 -8.796 1.00 6.65 O ATOM 76 CB VAL A 7 14.456 13.776 -11.393 1.00 6.56 C ATOM 77 CG1 VAL A 7 13.095 14.430 -11.416 1.00 7.08 C ATOM 78 CG2 VAL A 7 14.682 12.981 -12.675 1.00 6.31 C ATOM 79 H VAL A 7 17.215 13.566 -10.566 1.00 0.00 H ATOM 80 N VAL A 8 14.874 16.707 -9.762 1.00 3.91 N ATOM 81 CA VAL A 8 14.640 17.432 -8.517 1.00 3.35 C ATOM 82 C VAL A 8 13.139 17.406 -8.272 1.00 5.81 C ATOM 83 O VAL A 8 12.377 17.939 -9.083 1.00 5.95 O ATOM 84 CB VAL A 8 15.212 18.874 -8.557 1.00 6.76 C ATOM 85 CG1 VAL A 8 15.103 19.541 -7.185 1.00 7.29 C ATOM 86 CG2 VAL A 8 16.665 18.869 -9.025 1.00 6.52 C ATOM 87 H VAL A 8 14.616 17.165 -10.660 1.00 0.00 H ATOM 88 N VAL A 9 12.715 16.727 -7.184 1.00 3.92 N ATOM 89 CA VAL A 9 11.295 16.554 -6.851 1.00 3.77 C ATOM 90 C VAL A 9 10.988 17.091 -5.455 1.00 6.67 C ATOM 91 O VAL A 9 11.893 17.240 -4.641 1.00 5.98 O ATOM 92 CB VAL A 9 10.817 15.077 -7.019 1.00 6.80 C ATOM 93 CG1 VAL A 9 11.071 14.561 -8.436 1.00 6.44 C ATOM 94 CG2 VAL A 9 11.451 14.149 -5.978 1.00 6.60 C ATOM 95 H VAL A 9 13.427 16.307 -6.553 1.00 0.00 H ATOM 96 N GLY A 10 9.706 17.314 -5.178 1.00 5.03 N ATOM 97 CA GLY A 10 9.270 17.814 -3.882 1.00 5.33 C ATOM 98 C GLY A 10 8.075 18.729 -3.998 1.00 8.96 C ATOM 99 O GLY A 10 7.737 19.186 -5.100 1.00 7.83 O ATOM 100 H GLY A 10 8.992 17.125 -5.911 1.00 0.00 H ATOM 101 N ALA A 11 7.469 19.049 -2.839 1.00 6.48 N ATOM 102 CA ALA A 11 6.270 19.888 -2.752 1.00 6.89 C ATOM 103 C ALA A 11 6.424 21.259 -3.412 1.00 8.63 C ATOM 104 O ALA A 11 7.538 21.783 -3.563 1.00 6.33 O ATOM 105 CB ALA A 11 5.848 20.051 -1.301 1.00 8.14 C ATOM 106 H ALA A 11 7.875 18.680 -1.955 1.00 0.00 H ATOM 107 N ASP A 12 5.287 21.834 -3.819 1.00 5.58 N ATOM 108 CA ASP A 12 5.244 23.136 -4.447 1.00 5.17 C ATOM 109 C ASP A 12 5.720 24.229 -3.471 1.00 9.17 C ATOM 110 O ASP A 12 5.014 24.557 -2.506 1.00 8.50 O ATOM 111 CB ASP A 12 3.804 23.416 -4.922 1.00 6.86 C ATOM 112 CG ASP A 12 3.590 24.702 -5.697 1.00 10.22 C ATOM 113 OD1 ASP A 12 4.584 25.412 -5.959 1.00 9.80 O ATOM 114 OD2 ASP A 12 2.424 25.019 -6.005 1.00 11.66 O ATOM 115 H ASP A 12 4.393 21.321 -3.677 1.00 0.00 H ATOM 116 N GLY A 13 6.924 24.749 -3.732 1.00 6.51 N ATOM 117 CA GLY A 13 7.512 25.848 -2.964 1.00 6.87 C ATOM 118 C GLY A 13 8.687 25.508 -2.076 1.00 8.76 C ATOM 119 O GLY A 13 9.197 26.392 -1.386 1.00 8.83 O ATOM 120 H GLY A 13 7.471 24.352 -4.522 1.00 0.00 H ATOM 121 N VAL A 14 9.146 24.244 -2.095 1.00 4.66 N ATOM 122 CA VAL A 14 10.293 23.825 -1.255 1.00 4.46 C ATOM 123 C VAL A 14 11.626 24.445 -1.692 1.00 7.32 C ATOM 124 O VAL A 14 12.594 24.412 -0.932 1.00 7.73 O ATOM 125 CB VAL A 14 10.411 22.291 -1.135 1.00 7.62 C ATOM 126 CG1 VAL A 14 9.134 21.696 -0.547 1.00 7.98 C ATOM 127 CG2 VAL A 14 10.750 21.644 -2.480 1.00 6.80 C ATOM 128 H VAL A 14 8.686 23.545 -2.713 1.00 0.00 H ATOM 129 N GLY A 15 11.674 24.935 -2.927 1.00 5.48 N ATOM 130 CA GLY A 15 12.872 25.544 -3.488 1.00 4.95 C ATOM 131 C GLY A 15 13.561 24.727 -4.566 1.00 7.25 C ATOM 132 O GLY A 15 14.759 24.892 -4.768 1.00 5.79 O ATOM 133 H GLY A 15 10.820 24.881 -3.518 1.00 0.00 H ATOM 134 N LYS A 16 12.825 23.857 -5.296 1.00 5.39 N ATOM 135 CA LYS A 16 13.440 23.025 -6.339 1.00 4.97 C ATOM 136 C LYS A 16 14.153 23.867 -7.415 1.00 7.25 C ATOM 137 O LYS A 16 15.316 23.606 -7.745 1.00 6.93 O ATOM 138 CB LYS A 16 12.397 22.112 -7.016 1.00 6.15 C ATOM 139 CG LYS A 16 11.744 21.076 -6.099 1.00 6.69 C ATOM 140 CD LYS A 16 10.667 20.248 -6.843 1.00 6.42 C ATOM 141 CE LYS A 16 9.464 21.042 -7.325 1.00 7.63 C ATOM 142 NZ LYS A 16 8.704 21.638 -6.186 1.00 8.61 N ATOM 143 HZ1 LYS A 16 8.367 20.879 -5.561 1.00 0.00 H ATOM 144 HZ2 LYS A 16 9.327 22.277 -5.652 1.00 0.00 H ATOM 145 HZ3 LYS A 16 7.891 22.172 -6.555 1.00 0.00 H ATOM 146 H LYS A 16 11.804 23.776 -5.115 1.00 0.00 H ATOM 147 N SER A 17 13.462 24.892 -7.928 1.00 4.22 N ATOM 148 CA SER A 17 13.971 25.752 -8.994 1.00 4.13 C ATOM 149 C SER A 17 15.133 26.617 -8.508 1.00 7.89 C ATOM 150 O SER A 17 16.166 26.688 -9.177 1.00 6.75 O ATOM 151 CB SER A 17 12.838 26.594 -9.581 1.00 5.57 C ATOM 152 OG SER A 17 11.819 25.751 -10.105 1.00 5.82 O ATOM 153 HG SER A 17 12.200 25.178 -10.817 1.00 0.00 H ATOM 154 H SER A 17 12.514 25.086 -7.548 1.00 0.00 H ATOM 155 N ALA A 18 14.996 27.212 -7.310 1.00 5.65 N ATOM 156 CA ALA A 18 16.046 28.038 -6.727 1.00 6.00 C ATOM 157 C ALA A 18 17.300 27.195 -6.487 1.00 8.34 C ATOM 158 O ALA A 18 18.392 27.667 -6.768 1.00 8.05 O ATOM 159 CB ALA A 18 15.566 28.675 -5.427 1.00 7.12 C ATOM 160 H ALA A 18 14.110 27.078 -6.781 1.00 0.00 H ATOM 161 N LEU A 19 17.149 25.936 -6.017 1.00 4.85 N ATOM 162 CA LEU A 19 18.308 25.056 -5.809 1.00 5.20 C ATOM 163 C LEU A 19 19.067 24.808 -7.107 1.00 8.52 C ATOM 164 O LEU A 19 20.290 24.946 -7.143 1.00 7.82 O ATOM 165 CB LEU A 19 17.887 23.715 -5.206 1.00 5.88 C ATOM 166 CG LEU A 19 17.760 23.634 -3.701 1.00 11.48 C ATOM 167 CD1 LEU A 19 17.142 22.298 -3.318 1.00 11.88 C ATOM 168 CD2 LEU A 19 19.136 23.754 -3.020 1.00 14.10 C ATOM 169 H LEU A 19 16.195 25.584 -5.799 1.00 0.00 H ATOM 170 N THR A 20 18.334 24.480 -8.181 1.00 6.31 N ATOM 171 CA THR A 20 18.897 24.188 -9.500 1.00 6.04 C ATOM 172 C THR A 20 19.534 25.427 -10.125 1.00 9.37 C ATOM 173 O THR A 20 20.651 25.345 -10.631 1.00 9.32 O ATOM 174 CB THR A 20 17.825 23.548 -10.403 1.00 11.60 C ATOM 175 OG1 THR A 20 17.265 22.420 -9.727 1.00 10.56 O ATOM 176 CG2 THR A 20 18.386 23.098 -11.750 1.00 10.12 C ATOM 177 HG1 THR A 20 16.854 22.717 -8.877 1.00 0.00 H ATOM 178 H THR A 20 17.301 24.430 -8.070 1.00 0.00 H ATOM 179 N ILE A 21 18.829 26.571 -10.090 1.00 5.49 N ATOM 180 CA ILE A 21 19.328 27.824 -10.661 1.00 4.62 C ATOM 181 C ILE A 21 20.575 28.289 -9.901 1.00 8.89 C ATOM 182 O ILE A 21 21.516 28.778 -10.527 1.00 8.65 O ATOM 183 CB ILE A 21 18.199 28.887 -10.768 1.00 7.19 C ATOM 184 CG1 ILE A 21 17.135 28.422 -11.819 1.00 7.27 C ATOM 185 CG2 ILE A 21 18.763 30.274 -11.138 1.00 7.40 C ATOM 186 CD1 ILE A 21 15.767 29.108 -11.714 1.00 12.06 C ATOM 187 H ILE A 21 17.892 26.566 -9.639 1.00 0.00 H ATOM 188 N GLN A 22 20.610 28.089 -8.573 1.00 5.44 N ATOM 189 CA GLN A 22 21.802 28.426 -7.805 1.00 6.04 C ATOM 190 C GLN A 22 22.997 27.571 -8.274 1.00 8.45 C ATOM 191 O GLN A 22 24.071 28.114 -8.546 1.00 7.28 O ATOM 192 CB GLN A 22 21.543 28.270 -6.292 1.00 7.43 C ATOM 193 CG GLN A 22 22.785 28.466 -5.414 1.00 10.75 C ATOM 194 CD GLN A 22 23.397 29.845 -5.512 1.00 11.29 C ATOM 195 OE1 GLN A 22 24.527 30.001 -5.973 1.00 8.75 O ATOM 196 NE2 GLN A 22 22.695 30.874 -5.051 1.00 7.07 N ATOM 197 HE22 GLN A 22 21.741 30.722 -4.665 1.00 0.00 H ATOM 198 HE21 GLN A 22 23.099 31.832 -5.076 1.00 0.00 H ATOM 199 H GLN A 22 19.780 27.691 -8.089 1.00 0.00 H ATOM 200 N LEU A 23 22.805 26.244 -8.393 1.00 6.27 N ATOM 201 CA LEU A 23 23.879 25.359 -8.844 1.00 6.73 C ATOM 202 C LEU A 23 24.423 25.760 -10.219 1.00 12.12 C ATOM 203 O LEU A 23 25.637 25.875 -10.374 1.00 12.37 O ATOM 204 CB LEU A 23 23.412 23.895 -8.882 1.00 5.92 C ATOM 205 CG LEU A 23 24.457 22.878 -9.367 1.00 8.97 C ATOM 206 CD1 LEU A 23 25.433 22.472 -8.232 1.00 9.41 C ATOM 207 CD2 LEU A 23 23.778 21.670 -9.983 1.00 9.62 C ATOM 208 H LEU A 23 21.875 25.840 -8.160 1.00 0.00 H ATOM 209 N ILE A 24 23.522 25.980 -11.196 1.00 9.04 N ATOM 210 CA ILE A 24 23.872 26.291 -12.589 1.00 9.92 C ATOM 211 C ILE A 24 24.342 27.723 -12.818 1.00 12.53 C ATOM 212 O ILE A 24 25.400 27.939 -13.419 1.00 12.68 O ATOM 213 CB ILE A 24 22.701 25.948 -13.576 1.00 13.04 C ATOM 214 CG1 ILE A 24 22.095 24.513 -13.358 1.00 13.41 C ATOM 215 CG2 ILE A 24 23.103 26.182 -15.059 1.00 13.85 C ATOM 216 CD1 ILE A 24 22.946 23.336 -13.546 1.00 17.59 C ATOM 217 H ILE A 24 22.513 25.926 -10.948 1.00 0.00 H ATOM 218 N GLN A 25 23.508 28.700 -12.429 1.00 7.47 N ATOM 219 CA GLN A 25 23.708 30.112 -12.740 1.00 7.63 C ATOM 220 C GLN A 25 24.307 30.965 -11.612 1.00 11.45 C ATOM 221 O GLN A 25 24.508 32.166 -11.812 1.00 11.07 O ATOM 222 CB GLN A 25 22.379 30.710 -13.227 1.00 8.28 C ATOM 223 CG GLN A 25 21.763 29.965 -14.418 1.00 12.70 C ATOM 224 CD GLN A 25 20.402 30.488 -14.809 1.00 20.23 C ATOM 225 OE1 GLN A 25 19.963 31.553 -14.365 1.00 17.46 O ATOM 226 NE2 GLN A 25 19.725 29.768 -15.697 1.00 16.36 N ATOM 227 HE22 GLN A 25 20.121 28.875 -16.053 1.00 0.00 H ATOM 228 HE21 GLN A 25 18.799 30.098 -16.036 1.00 0.00 H ATOM 229 H GLN A 25 22.670 28.435 -11.873 1.00 0.00 H ATOM 230 N ASN A 26 24.619 30.354 -10.444 1.00 9.00 N ATOM 231 CA ASN A 26 25.274 31.030 -9.308 1.00 8.79 C ATOM 232 C ASN A 26 24.509 32.244 -8.759 1.00 11.94 C ATOM 233 O ASN A 26 25.118 33.226 -8.311 1.00 10.82 O ATOM 234 CB ASN A 26 26.729 31.400 -9.657 1.00 10.24 C ATOM 235 CG ASN A 26 27.568 30.201 -10.048 1.00 21.29 C ATOM 236 OD1 ASN A 26 27.732 29.260 -9.286 1.00 18.73 O ATOM 237 ND2 ASN A 26 28.112 30.212 -11.244 1.00 20.45 N ATOM 238 HD22 ASN A 26 27.960 31.023 -11.877 1.00 0.00 H ATOM 239 HD21 ASN A 26 28.695 29.410 -11.558 1.00 0.00 H ATOM 240 H ASN A 26 24.382 29.346 -10.342 1.00 0.00 H ATOM 241 N HIS A 27 23.179 32.170 -8.768 1.00 9.04 N ATOM 242 CA HIS A 27 22.360 33.239 -8.205 1.00 9.25 C ATOM 243 C HIS A 27 21.091 32.690 -7.590 1.00 9.70 C ATOM 244 O HIS A 27 20.589 31.644 -8.010 1.00 7.75 O ATOM 245 CB HIS A 27 22.085 34.370 -9.206 1.00 11.97 C ATOM 246 CG HIS A 27 21.113 34.018 -10.278 1.00 15.73 C ATOM 247 ND1 HIS A 27 19.755 34.226 -10.115 1.00 17.83 N ATOM 248 CD2 HIS A 27 21.333 33.491 -11.503 1.00 18.74 C ATOM 249 CE1 HIS A 27 19.190 33.811 -11.238 1.00 17.84 C ATOM 250 NE2 HIS A 27 20.100 33.370 -12.109 1.00 18.43 N ATOM 251 H HIS A 27 22.716 31.336 -9.183 1.00 0.00 H ATOM 252 N PHE A 28 20.600 33.397 -6.566 1.00 6.40 N ATOM 253 CA PHE A 28 19.379 33.055 -5.861 1.00 5.67 C ATOM 254 C PHE A 28 18.185 33.792 -6.444 1.00 10.43 C ATOM 255 O PHE A 28 18.216 35.024 -6.556 1.00 10.68 O ATOM 256 CB PHE A 28 19.519 33.362 -4.370 1.00 7.26 C ATOM 257 CG PHE A 28 18.243 33.146 -3.588 1.00 7.50 C ATOM 258 CD1 PHE A 28 17.650 31.885 -3.520 1.00 8.59 C ATOM 259 CD2 PHE A 28 17.644 34.196 -2.904 1.00 8.84 C ATOM 260 CE1 PHE A 28 16.483 31.679 -2.769 1.00 8.74 C ATOM 261 CE2 PHE A 28 16.486 33.987 -2.142 1.00 10.63 C ATOM 262 CZ PHE A 28 15.913 32.733 -2.082 1.00 8.07 C ATOM 263 H PHE A 28 21.124 34.241 -6.257 1.00 0.00 H ATOM 264 N VAL A 29 17.130 33.036 -6.802 1.00 7.83 N ATOM 265 CA VAL A 29 15.880 33.578 -7.336 1.00 8.60 C ATOM 266 C VAL A 29 14.951 33.820 -6.134 1.00 11.16 C ATOM 267 O VAL A 29 14.530 32.859 -5.480 1.00 10.80 O ATOM 268 CB VAL A 29 15.241 32.625 -8.387 1.00 13.31 C ATOM 269 CG1 VAL A 29 13.875 33.132 -8.846 1.00 14.06 C ATOM 270 CG2 VAL A 29 16.166 32.430 -9.587 1.00 13.42 C ATOM 271 H VAL A 29 17.208 32.005 -6.692 1.00 0.00 H ATOM 272 N ASP A 30 14.660 35.090 -5.836 1.00 9.55 N ATOM 273 CA ASP A 30 13.767 35.454 -4.726 1.00 10.91 C ATOM 274 C ASP A 30 12.303 35.286 -5.156 1.00 13.96 C ATOM 275 O ASP A 30 11.426 35.015 -4.322 1.00 13.87 O ATOM 276 CB ASP A 30 14.019 36.907 -4.280 1.00 13.82 C ATOM 277 CG ASP A 30 13.190 37.329 -3.072 1.00 24.90 C ATOM 278 OD1 ASP A 30 13.497 36.867 -1.947 1.00 24.37 O ATOM 279 OD2 ASP A 30 12.240 38.124 -3.252 1.00 30.30 O ATOM 280 H ASP A 30 15.081 35.848 -6.410 1.00 0.00 H ATOM 281 N GLU A 31 12.047 35.477 -6.456 1.00 9.59 N ATOM 282 CA GLU A 31 10.710 35.402 -7.041 1.00 9.43 C ATOM 283 C GLU A 31 10.166 33.992 -6.987 1.00 11.10 C ATOM 284 O GLU A 31 10.935 33.025 -6.929 1.00 9.37 O ATOM 285 CB GLU A 31 10.709 35.904 -8.504 1.00 10.79 C ATOM 286 CG GLU A 31 11.137 37.356 -8.690 1.00 23.41 C ATOM 287 CD GLU A 31 12.622 37.654 -8.561 1.00 42.03 C ATOM 288 OE1 GLU A 31 12.958 38.819 -8.249 1.00 44.34 O ATOM 289 OE2 GLU A 31 13.446 36.721 -8.722 1.00 24.70 O ATOM 290 H GLU A 31 12.846 35.691 -7.086 1.00 0.00 H ATOM 291 N TYR A 32 8.825 33.881 -7.010 1.00 8.29 N ATOM 292 CA TYR A 32 8.128 32.603 -7.005 1.00 7.36 C ATOM 293 C TYR A 32 7.474 32.439 -8.387 1.00 11.28 C ATOM 294 O TYR A 32 6.391 32.994 -8.640 1.00 10.32 O ATOM 295 CB TYR A 32 7.058 32.601 -5.887 1.00 9.27 C ATOM 296 CG TYR A 32 6.581 31.225 -5.475 1.00 9.96 C ATOM 297 CD1 TYR A 32 5.972 30.371 -6.393 1.00 12.29 C ATOM 298 CD2 TYR A 32 6.689 30.797 -4.159 1.00 9.68 C ATOM 299 CE1 TYR A 32 5.548 29.098 -6.022 1.00 12.53 C ATOM 300 CE2 TYR A 32 6.243 29.537 -3.771 1.00 10.32 C ATOM 301 CZ TYR A 32 5.673 28.691 -4.706 1.00 12.26 C ATOM 302 OH TYR A 32 5.247 27.443 -4.338 1.00 10.80 O ATOM 303 HH TYR A 32 4.869 26.979 -5.126 1.00 0.00 H ATOM 304 H TYR A 32 8.258 34.752 -7.032 1.00 0.00 H ATOM 305 N ASP A 33 8.149 31.699 -9.281 1.00 7.74 N ATOM 306 CA ASP A 33 7.672 31.426 -10.631 1.00 7.63 C ATOM 307 C ASP A 33 7.391 29.922 -10.724 1.00 10.56 C ATOM 308 O ASP A 33 8.343 29.138 -10.815 1.00 9.59 O ATOM 309 CB ASP A 33 8.702 31.896 -11.678 1.00 9.37 C ATOM 310 CG ASP A 33 8.960 33.397 -11.681 1.00 16.35 C ATOM 311 OD1 ASP A 33 7.986 34.170 -11.540 1.00 17.58 O ATOM 312 OD2 ASP A 33 10.128 33.797 -11.871 1.00 22.09 O ATOM 313 H ASP A 33 9.064 31.298 -8.994 1.00 0.00 H ATOM 314 N PRO A 34 6.104 29.493 -10.607 1.00 8.17 N ATOM 315 CA PRO A 34 5.800 28.041 -10.610 1.00 7.89 C ATOM 316 C PRO A 34 6.249 27.327 -11.875 1.00 10.97 C ATOM 317 O PRO A 34 6.096 27.855 -12.975 1.00 10.89 O ATOM 318 CB PRO A 34 4.284 27.983 -10.386 1.00 10.61 C ATOM 319 CG PRO A 34 3.785 29.305 -10.852 1.00 15.49 C ATOM 320 CD PRO A 34 4.861 30.289 -10.475 1.00 10.42 C ATOM 321 N THR A 35 6.863 26.158 -11.692 1.00 7.34 N ATOM 322 CA THR A 35 7.444 25.374 -12.782 1.00 6.30 C ATOM 323 C THR A 35 6.475 24.351 -13.336 1.00 10.11 C ATOM 324 O THR A 35 5.774 23.707 -12.565 1.00 10.40 O ATOM 325 CB THR A 35 8.718 24.652 -12.274 1.00 9.86 C ATOM 326 OG1 THR A 35 9.544 25.587 -11.574 1.00 5.30 O ATOM 327 CG2 THR A 35 9.523 23.990 -13.407 1.00 8.72 C ATOM 328 HG1 THR A 35 9.801 26.322 -12.186 1.00 0.00 H ATOM 329 H THR A 35 6.933 25.784 -10.724 1.00 0.00 H ATOM 330 N ILE A 36 6.480 24.179 -14.670 1.00 7.81 N ATOM 331 CA ILE A 36 5.761 23.111 -15.363 1.00 7.49 C ATOM 332 C ILE A 36 6.862 22.045 -15.493 1.00 11.42 C ATOM 333 O ILE A 36 6.794 21.019 -14.831 1.00 11.29 O ATOM 334 CB ILE A 36 5.151 23.540 -16.733 1.00 10.42 C ATOM 335 CG1 ILE A 36 4.099 24.671 -16.549 1.00 11.66 C ATOM 336 CG2 ILE A 36 4.542 22.311 -17.437 1.00 11.22 C ATOM 337 CD1 ILE A 36 3.541 25.313 -17.865 1.00 18.41 C ATOM 338 H ILE A 36 7.030 24.848 -15.245 1.00 0.00 H ATOM 339 N GLU A 37 7.914 22.332 -16.289 1.00 8.33 N ATOM 340 CA GLU A 37 9.088 21.468 -16.414 1.00 8.40 C ATOM 341 C GLU A 37 10.173 22.164 -17.195 1.00 12.79 C ATOM 342 O GLU A 37 9.919 22.662 -18.289 1.00 13.79 O ATOM 343 CB GLU A 37 8.767 20.112 -17.048 1.00 9.93 C ATOM 344 CG GLU A 37 9.829 19.089 -16.724 1.00 17.74 C ATOM 345 CD GLU A 37 9.386 17.669 -16.971 1.00 24.50 C ATOM 346 OE1 GLU A 37 8.779 17.053 -16.065 1.00 24.01 O ATOM 347 OE2 GLU A 37 9.642 17.177 -18.087 1.00 12.04 O ATOM 348 H GLU A 37 7.889 23.213 -16.842 1.00 0.00 H ATOM 349 N ASP A 38 11.388 22.180 -16.641 1.00 7.46 N ATOM 350 CA ASP A 38 12.548 22.780 -17.290 1.00 6.84 C ATOM 351 C ASP A 38 13.724 21.873 -17.068 1.00 10.24 C ATOM 352 O ASP A 38 13.757 21.168 -16.065 1.00 9.44 O ATOM 353 CB ASP A 38 12.859 24.156 -16.665 1.00 8.18 C ATOM 354 CG ASP A 38 11.773 25.198 -16.868 1.00 13.92 C ATOM 355 OD1 ASP A 38 11.446 25.491 -18.029 1.00 16.94 O ATOM 356 OD2 ASP A 38 11.290 25.748 -15.870 1.00 16.04 O ATOM 357 H ASP A 38 11.513 21.745 -15.705 1.00 0.00 H ATOM 358 N SER A 39 14.684 21.866 -17.996 1.00 7.32 N ATOM 359 CA SER A 39 15.903 21.094 -17.777 1.00 6.32 C ATOM 360 C SER A 39 17.096 22.034 -17.885 1.00 9.44 C ATOM 361 O SER A 39 17.056 23.033 -18.624 1.00 8.15 O ATOM 362 CB SER A 39 16.020 19.899 -18.716 1.00 8.11 C ATOM 363 OG SER A 39 16.276 20.291 -20.054 1.00 11.10 O ATOM 364 HG SER A 39 15.536 20.864 -20.376 1.00 0.00 H ATOM 365 H SER A 39 14.563 22.410 -18.874 1.00 0.00 H ATOM 366 N TYR A 40 18.124 21.732 -17.107 1.00 6.55 N ATOM 367 CA TYR A 40 19.350 22.514 -16.988 1.00 6.84 C ATOM 368 C TYR A 40 20.553 21.615 -17.198 1.00 10.82 C ATOM 369 O TYR A 40 20.435 20.390 -17.093 1.00 9.89 O ATOM 370 CB TYR A 40 19.408 23.164 -15.596 1.00 7.84 C ATOM 371 CG TYR A 40 18.325 24.196 -15.371 1.00 9.19 C ATOM 372 CD1 TYR A 40 17.063 23.824 -14.914 1.00 9.66 C ATOM 373 CD2 TYR A 40 18.572 25.551 -15.585 1.00 11.08 C ATOM 374 CE1 TYR A 40 16.062 24.771 -14.708 1.00 10.21 C ATOM 375 CE2 TYR A 40 17.575 26.505 -15.394 1.00 11.98 C ATOM 376 CZ TYR A 40 16.321 26.110 -14.962 1.00 16.02 C ATOM 377 OH TYR A 40 15.344 27.051 -14.766 1.00 16.35 O ATOM 378 HH TYR A 40 14.515 26.605 -14.460 1.00 0.00 H ATOM 379 H TYR A 40 18.052 20.867 -16.534 1.00 0.00 H ATOM 380 N ARG A 41 21.717 22.219 -17.496 1.00 8.49 N ATOM 381 CA ARG A 41 22.955 21.481 -17.745 1.00 8.17 C ATOM 382 C ARG A 41 24.130 22.063 -16.997 1.00 11.67 C ATOM 383 O ARG A 41 24.281 23.285 -16.925 1.00 10.76 O ATOM 384 CB ARG A 41 23.289 21.453 -19.244 1.00 9.17 C ATOM 385 CG ARG A 41 22.346 20.596 -20.077 1.00 13.98 C ATOM 386 CD ARG A 41 22.099 21.176 -21.462 1.00 17.49 C ATOM 387 NE ARG A 41 21.810 22.614 -21.453 1.00 19.18 N ATOM 388 CZ ARG A 41 20.634 23.154 -21.144 1.00 35.05 C ATOM 389 NH1 ARG A 41 19.609 22.383 -20.796 1.00 22.96 N ATOM 390 NH2 ARG A 41 20.474 24.470 -21.176 1.00 22.85 N ATOM 391 HE ARG A 41 22.583 23.261 -21.708 1.00 0.00 H ATOM 392 HH12 ARG A 41 18.693 22.813 -20.556 1.00 0.00 H ATOM 393 HH11 ARG A 41 19.723 21.350 -20.764 1.00 0.00 H ATOM 394 HH22 ARG A 41 19.553 24.888 -20.934 1.00 0.00 H ATOM 395 HH21 ARG A 41 21.270 25.084 -21.443 1.00 0.00 H ATOM 396 H ARG A 41 21.738 23.257 -17.552 1.00 0.00 H ATOM 397 N LYS A 42 24.991 21.183 -16.478 1.00 8.59 N ATOM 398 CA LYS A 42 26.216 21.591 -15.796 1.00 8.72 C ATOM 399 C LYS A 42 27.302 20.561 -16.005 1.00 11.30 C ATOM 400 O LYS A 42 27.113 19.390 -15.655 1.00 9.23 O ATOM 401 CB LYS A 42 26.002 21.821 -14.295 1.00 11.15 C ATOM 402 CG LYS A 42 27.185 22.575 -13.703 1.00 17.19 C ATOM 403 CD LYS A 42 26.918 23.059 -12.307 1.00 26.08 C ATOM 404 CE LYS A 42 28.191 23.526 -11.661 1.00 31.35 C ATOM 405 NZ LYS A 42 28.741 24.763 -12.275 1.00 38.88 N ATOM 406 HZ1 LYS A 42 28.944 24.589 -13.280 1.00 0.00 H ATOM 407 HZ2 LYS A 42 28.045 25.531 -12.189 1.00 0.00 H ATOM 408 HZ3 LYS A 42 29.618 25.032 -11.784 1.00 0.00 H ATOM 409 H LYS A 42 24.781 20.168 -16.563 1.00 0.00 H ATOM 410 N GLN A 43 28.436 21.002 -16.572 1.00 8.70 N ATOM 411 CA GLN A 43 29.602 20.144 -16.757 1.00 9.03 C ATOM 412 C GLN A 43 30.502 20.412 -15.567 1.00 14.85 C ATOM 413 O GLN A 43 30.897 21.561 -15.319 1.00 14.16 O ATOM 414 CB GLN A 43 30.321 20.432 -18.080 1.00 10.15 C ATOM 415 CG GLN A 43 31.597 19.598 -18.277 1.00 17.76 C ATOM 416 CD GLN A 43 32.197 19.780 -19.649 1.00 23.88 C ATOM 417 OE1 GLN A 43 31.496 19.980 -20.640 1.00 18.03 O ATOM 418 NE2 GLN A 43 33.508 19.658 -19.751 1.00 14.64 N ATOM 419 HE22 GLN A 43 34.082 19.489 -18.901 1.00 0.00 H ATOM 420 HE21 GLN A 43 33.966 19.731 -20.682 1.00 0.00 H ATOM 421 H GLN A 43 28.485 21.991 -16.891 1.00 0.00 H ATOM 422 N VAL A 44 30.794 19.355 -14.813 1.00 12.40 N ATOM 423 CA VAL A 44 31.599 19.457 -13.598 1.00 12.94 C ATOM 424 C VAL A 44 32.482 18.217 -13.433 1.00 16.67 C ATOM 425 O VAL A 44 32.103 17.128 -13.872 1.00 16.94 O ATOM 426 CB VAL A 44 30.680 19.733 -12.364 1.00 17.26 C ATOM 427 CG1 VAL A 44 29.758 18.554 -12.047 1.00 16.28 C ATOM 428 CG2 VAL A 44 31.485 20.148 -11.141 1.00 18.31 C ATOM 429 H VAL A 44 30.436 18.422 -15.099 1.00 0.00 H ATOM 430 N VAL A 45 33.661 18.384 -12.817 1.00 12.21 N ATOM 431 CA VAL A 45 34.551 17.261 -12.545 1.00 11.89 C ATOM 432 C VAL A 45 34.254 16.787 -11.110 1.00 14.75 C ATOM 433 O VAL A 45 34.352 17.573 -10.164 1.00 13.56 O ATOM 434 CB VAL A 45 36.054 17.610 -12.755 1.00 16.65 C ATOM 435 CG1 VAL A 45 36.963 16.447 -12.339 1.00 16.46 C ATOM 436 CG2 VAL A 45 36.334 18.010 -14.205 1.00 16.84 C ATOM 437 H VAL A 45 33.949 19.340 -12.525 1.00 0.00 H ATOM 438 N ILE A 46 33.867 15.517 -10.967 1.00 11.53 N ATOM 439 CA ILE A 46 33.560 14.881 -9.683 1.00 11.59 C ATOM 440 C ILE A 46 34.430 13.636 -9.599 1.00 16.12 C ATOM 441 O ILE A 46 34.313 12.754 -10.449 1.00 15.15 O ATOM 442 CB ILE A 46 32.042 14.529 -9.527 1.00 13.96 C ATOM 443 CG1 ILE A 46 31.138 15.782 -9.680 1.00 13.19 C ATOM 444 CG2 ILE A 46 31.786 13.804 -8.188 1.00 15.82 C ATOM 445 CD1 ILE A 46 29.605 15.501 -9.952 1.00 13.85 C ATOM 446 H ILE A 46 33.777 14.939 -11.827 1.00 0.00 H ATOM 447 N ASP A 47 35.317 13.568 -8.581 1.00 14.48 N ATOM 448 CA ASP A 47 36.235 12.436 -8.385 1.00 15.50 C ATOM 449 C ASP A 47 37.004 12.051 -9.673 1.00 20.52 C ATOM 450 O ASP A 47 37.094 10.874 -10.018 1.00 20.71 O ATOM 451 CB ASP A 47 35.504 11.221 -7.762 1.00 17.01 C ATOM 452 CG ASP A 47 34.648 11.543 -6.553 1.00 23.07 C ATOM 453 OD1 ASP A 47 35.120 12.294 -5.671 1.00 23.62 O ATOM 454 OD2 ASP A 47 33.519 11.033 -6.480 1.00 26.01 O ATOM 455 H ASP A 47 35.352 14.356 -7.903 1.00 0.00 H ATOM 456 N GLY A 48 37.500 13.061 -10.392 1.00 17.88 N ATOM 457 CA GLY A 48 38.277 12.881 -11.615 1.00 18.09 C ATOM 458 C GLY A 48 37.515 12.530 -12.878 1.00 22.61 C ATOM 459 O GLY A 48 38.135 12.298 -13.920 1.00 24.07 O ATOM 460 H GLY A 48 37.323 14.031 -10.062 1.00 0.00 H ATOM 461 N GLU A 49 36.173 12.466 -12.797 1.00 16.72 N ATOM 462 CA GLU A 49 35.331 12.150 -13.946 1.00 15.69 C ATOM 463 C GLU A 49 34.624 13.417 -14.419 1.00 16.22 C ATOM 464 O GLU A 49 34.088 14.163 -13.597 1.00 14.47 O ATOM 465 CB GLU A 49 34.297 11.059 -13.577 1.00 16.84 C ATOM 466 CG GLU A 49 33.290 10.747 -14.679 1.00 26.61 C ATOM 467 CD GLU A 49 32.194 9.763 -14.321 1.00 38.27 C ATOM 468 OE1 GLU A 49 31.497 9.982 -13.306 1.00 21.29 O ATOM 469 OE2 GLU A 49 32.018 8.779 -15.073 1.00 32.32 O ATOM 470 H GLU A 49 35.718 12.649 -11.880 1.00 0.00 H ATOM 471 N THR A 50 34.601 13.646 -15.745 1.00 12.62 N ATOM 472 CA THR A 50 33.869 14.776 -16.308 1.00 11.77 C ATOM 473 C THR A 50 32.410 14.352 -16.349 1.00 13.48 C ATOM 474 O THR A 50 32.043 13.414 -17.063 1.00 13.80 O ATOM 475 CB THR A 50 34.445 15.230 -17.646 1.00 18.32 C ATOM 476 OG1 THR A 50 35.770 15.701 -17.400 1.00 16.09 O ATOM 477 CG2 THR A 50 33.619 16.353 -18.274 1.00 17.17 C ATOM 478 HG1 THR A 50 36.314 14.967 -17.018 1.00 0.00 H ATOM 479 H THR A 50 35.116 13.004 -16.382 1.00 0.00 H ATOM 480 N CYS A 51 31.604 14.988 -15.510 1.00 9.13 N ATOM 481 CA CYS A 51 30.188 14.672 -15.378 1.00 8.68 C ATOM 482 C CYS A 51 29.341 15.711 -16.086 1.00 12.32 C ATOM 483 O CYS A 51 29.457 16.906 -15.805 1.00 11.43 O ATOM 484 CB CYS A 51 29.808 14.540 -13.903 1.00 8.85 C ATOM 485 SG CYS A 51 30.699 13.226 -13.024 1.00 13.31 S ATOM 486 H CYS A 51 32.001 15.747 -14.919 1.00 0.00 H ATOM 487 N LEU A 52 28.495 15.254 -17.011 1.00 8.32 N ATOM 488 CA LEU A 52 27.572 16.106 -17.750 1.00 8.00 C ATOM 489 C LEU A 52 26.211 15.944 -17.058 1.00 10.31 C ATOM 490 O LEU A 52 25.503 14.963 -17.295 1.00 9.14 O ATOM 491 CB LEU A 52 27.519 15.640 -19.217 1.00 8.94 C ATOM 492 CG LEU A 52 28.386 16.382 -20.250 1.00 15.50 C ATOM 493 CD1 LEU A 52 29.821 16.607 -19.777 1.00 15.98 C ATOM 494 CD2 LEU A 52 28.372 15.667 -21.562 1.00 17.56 C ATOM 495 H LEU A 52 28.494 14.234 -17.216 1.00 0.00 H ATOM 496 N LEU A 53 25.899 16.858 -16.122 1.00 6.64 N ATOM 497 CA LEU A 53 24.657 16.782 -15.349 1.00 6.17 C ATOM 498 C LEU A 53 23.514 17.335 -16.158 1.00 8.63 C ATOM 499 O LEU A 53 23.548 18.492 -16.586 1.00 6.94 O ATOM 500 CB LEU A 53 24.764 17.523 -13.997 1.00 5.97 C ATOM 501 CG LEU A 53 26.044 17.313 -13.162 1.00 10.59 C ATOM 502 CD1 LEU A 53 25.914 17.989 -11.794 1.00 10.74 C ATOM 503 CD2 LEU A 53 26.374 15.838 -12.986 1.00 9.70 C ATOM 504 H LEU A 53 26.559 17.642 -15.942 1.00 0.00 H ATOM 505 N ASP A 54 22.527 16.487 -16.405 1.00 5.89 N ATOM 506 CA ASP A 54 21.322 16.820 -17.157 1.00 5.44 C ATOM 507 C ASP A 54 20.222 16.812 -16.106 1.00 7.90 C ATOM 508 O ASP A 54 19.729 15.751 -15.719 1.00 6.84 O ATOM 509 CB ASP A 54 21.087 15.773 -18.266 1.00 7.25 C ATOM 510 CG ASP A 54 19.818 15.952 -19.075 1.00 8.78 C ATOM 511 OD1 ASP A 54 19.052 16.896 -18.786 1.00 9.21 O ATOM 512 OD2 ASP A 54 19.563 15.121 -19.961 1.00 8.51 O ATOM 513 H ASP A 54 22.617 15.518 -16.038 1.00 0.00 H ATOM 514 N ILE A 55 19.883 18.003 -15.608 1.00 5.08 N ATOM 515 CA ILE A 55 18.981 18.144 -14.469 1.00 4.63 C ATOM 516 C ILE A 55 17.565 18.542 -14.839 1.00 7.56 C ATOM 517 O ILE A 55 17.351 19.610 -15.414 1.00 6.78 O ATOM 518 CB ILE A 55 19.595 19.143 -13.437 1.00 7.64 C ATOM 519 CG1 ILE A 55 21.022 18.709 -13.025 1.00 8.76 C ATOM 520 CG2 ILE A 55 18.686 19.275 -12.200 1.00 8.35 C ATOM 521 CD1 ILE A 55 21.929 19.828 -12.413 1.00 9.45 C ATOM 522 H ILE A 55 20.275 18.860 -16.047 1.00 0.00 H ATOM 523 N LEU A 56 16.599 17.730 -14.419 1.00 4.52 N ATOM 524 CA LEU A 56 15.197 18.036 -14.638 1.00 4.68 C ATOM 525 C LEU A 56 14.579 18.727 -13.417 1.00 7.46 C ATOM 526 O LEU A 56 14.552 18.163 -12.328 1.00 6.06 O ATOM 527 CB LEU A 56 14.416 16.773 -15.012 1.00 4.69 C ATOM 528 CG LEU A 56 13.038 17.019 -15.622 1.00 8.33 C ATOM 529 CD1 LEU A 56 13.161 17.612 -17.038 1.00 7.46 C ATOM 530 CD2 LEU A 56 12.270 15.745 -15.684 1.00 9.25 C ATOM 531 H LEU A 56 16.855 16.853 -13.921 1.00 0.00 H ATOM 532 N ASP A 57 14.085 19.955 -13.612 1.00 4.78 N ATOM 533 CA ASP A 57 13.412 20.722 -12.573 1.00 4.44 C ATOM 534 C ASP A 57 11.914 20.503 -12.810 1.00 8.05 C ATOM 535 O ASP A 57 11.393 20.890 -13.855 1.00 8.15 O ATOM 536 CB ASP A 57 13.800 22.193 -12.685 1.00 5.41 C ATOM 537 CG ASP A 57 13.195 23.088 -11.640 1.00 6.39 C ATOM 538 OD1 ASP A 57 12.858 22.583 -10.539 1.00 5.07 O ATOM 539 OD2 ASP A 57 13.077 24.284 -11.905 1.00 8.59 O ATOM 540 H ASP A 57 14.187 20.384 -14.554 1.00 0.00 H ATOM 541 N THR A 58 11.257 19.801 -11.875 1.00 4.71 N ATOM 542 CA THR A 58 9.874 19.344 -12.017 1.00 4.39 C ATOM 543 C THR A 58 8.818 20.234 -11.346 1.00 8.17 C ATOM 544 O THR A 58 9.143 21.148 -10.584 1.00 6.67 O ATOM 545 CB THR A 58 9.769 17.889 -11.521 1.00 9.71 C ATOM 546 OG1 THR A 58 9.847 17.858 -10.087 1.00 8.68 O ATOM 547 CG2 THR A 58 10.851 16.984 -12.135 1.00 6.83 C ATOM 548 HG1 THR A 58 10.712 18.242 -9.796 1.00 0.00 H ATOM 549 H THR A 58 11.761 19.567 -10.996 1.00 0.00 H ATOM 550 N ALA A 59 7.542 19.916 -11.604 1.00 6.08 N ATOM 551 CA ALA A 59 6.410 20.642 -11.035 1.00 6.50 C ATOM 552 C ALA A 59 6.029 20.123 -9.650 1.00 10.14 C ATOM 553 O ALA A 59 5.794 18.919 -9.467 1.00 10.29 O ATOM 554 CB ALA A 59 5.205 20.528 -11.967 1.00 7.49 C ATOM 555 H ALA A 59 7.349 19.115 -12.239 1.00 0.00 H ATOM 556 N GLY A 60 5.919 21.042 -8.698 1.00 7.39 N ATOM 557 CA GLY A 60 5.434 20.733 -7.361 1.00 7.02 C ATOM 558 C GLY A 60 3.913 20.758 -7.347 1.00 10.48 C ATOM 559 O GLY A 60 3.288 20.092 -6.521 1.00 8.74 O ATOM 560 H GLY A 60 6.190 22.022 -8.916 1.00 0.00 H ATOM 561 N GLN A 61 3.306 21.540 -8.261 1.00 8.36 N ATOM 562 CA GLN A 61 1.855 21.649 -8.408 1.00 9.11 C ATOM 563 C GLN A 61 1.270 20.298 -8.805 1.00 13.47 C ATOM 564 O GLN A 61 1.715 19.707 -9.790 1.00 12.04 O ATOM 565 CB GLN A 61 1.493 22.726 -9.451 1.00 10.46 C ATOM 566 CG GLN A 61 1.645 24.149 -8.913 1.00 16.92 C ATOM 567 CD GLN A 61 1.198 25.241 -9.857 1.00 41.95 C ATOM 568 OE1 GLN A 61 1.048 25.044 -11.062 1.00 31.99 O ATOM 569 NE2 GLN A 61 0.992 26.441 -9.320 1.00 43.75 N ATOM 570 HE22 GLN A 61 1.125 26.583 -8.298 1.00 0.00 H ATOM 571 HE21 GLN A 61 0.698 27.236 -9.922 1.00 0.00 H ATOM 572 H GLN A 61 3.905 22.100 -8.900 1.00 0.00 H ATOM 573 N GLU A 62 0.277 19.802 -8.022 1.00 11.51 N ATOM 574 CA GLU A 62 -0.389 18.516 -8.259 1.00 12.13 C ATOM 575 C GLU A 62 -1.088 18.448 -9.621 1.00 15.92 C ATOM 576 O GLU A 62 -1.323 17.358 -10.130 1.00 15.33 O ATOM 577 CB GLU A 62 -1.359 18.171 -7.116 1.00 14.20 C ATOM 578 CG GLU A 62 -0.649 17.721 -5.847 1.00 22.28 C ATOM 579 CD GLU A 62 0.187 16.459 -5.966 1.00 39.46 C ATOM 580 OE1 GLU A 62 -0.304 15.462 -6.545 1.00 26.89 O ATOM 581 OE2 GLU A 62 1.337 16.467 -5.474 1.00 38.29 O ATOM 582 H GLU A 62 -0.030 20.368 -7.205 1.00 0.00 H ATOM 583 N GLU A 63 -1.373 19.619 -10.217 1.00 12.58 N ATOM 584 CA GLU A 63 -1.973 19.808 -11.541 1.00 13.16 C ATOM 585 C GLU A 63 -1.190 19.049 -12.635 1.00 15.79 C ATOM 586 O GLU A 63 -1.795 18.537 -13.578 1.00 14.76 O ATOM 587 CB GLU A 63 -1.977 21.322 -11.852 1.00 14.65 C ATOM 588 CG GLU A 63 -2.622 21.735 -13.165 1.00 24.03 C ATOM 589 CD GLU A 63 -4.135 21.647 -13.204 1.00 40.59 C ATOM 590 OE1 GLU A 63 -4.719 21.937 -14.273 1.00 28.56 O ATOM 591 OE2 GLU A 63 -4.737 21.294 -12.165 1.00 30.51 O ATOM 592 H GLU A 63 -1.144 20.481 -9.683 1.00 0.00 H ATOM 593 N TYR A 64 0.146 18.987 -12.501 1.00 11.85 N ATOM 594 CA TYR A 64 1.019 18.333 -13.483 1.00 11.37 C ATOM 595 C TYR A 64 1.540 16.958 -13.027 1.00 14.10 C ATOM 596 O TYR A 64 2.516 16.465 -13.595 1.00 13.79 O ATOM 597 CB TYR A 64 2.183 19.270 -13.856 1.00 12.18 C ATOM 598 CG TYR A 64 1.723 20.618 -14.366 1.00 13.87 C ATOM 599 CD1 TYR A 64 1.201 20.759 -15.650 1.00 16.25 C ATOM 600 CD2 TYR A 64 1.765 21.745 -13.550 1.00 14.59 C ATOM 601 CE1 TYR A 64 0.744 21.992 -16.113 1.00 17.17 C ATOM 602 CE2 TYR A 64 1.306 22.981 -14.000 1.00 15.64 C ATOM 603 CZ TYR A 64 0.805 23.102 -15.285 1.00 24.40 C ATOM 604 OH TYR A 64 0.377 24.325 -15.744 1.00 27.56 O ATOM 605 HH TYR A 64 -0.358 24.653 -15.168 1.00 0.00 H ATOM 606 H TYR A 64 0.581 19.423 -11.663 1.00 0.00 H ATOM 607 N SER A 65 0.868 16.322 -12.041 1.00 10.77 N ATOM 608 CA SER A 65 1.308 15.032 -11.498 1.00 10.57 C ATOM 609 C SER A 65 1.320 13.873 -12.518 1.00 15.76 C ATOM 610 O SER A 65 2.082 12.931 -12.310 1.00 16.10 O ATOM 611 CB SER A 65 0.522 14.646 -10.249 1.00 13.97 C ATOM 612 OG SER A 65 -0.838 14.360 -10.537 1.00 17.38 O ATOM 613 HG SER A 65 -1.265 15.160 -10.934 1.00 0.00 H ATOM 614 H SER A 65 0.009 16.763 -11.654 1.00 0.00 H ATOM 615 N ALA A 66 0.535 13.951 -13.625 1.00 13.78 N ATOM 616 CA ALA A 66 0.525 12.893 -14.661 1.00 13.38 C ATOM 617 C ALA A 66 1.870 12.780 -15.397 1.00 15.04 C ATOM 618 O ALA A 66 2.151 11.745 -16.002 1.00 13.85 O ATOM 619 CB ALA A 66 -0.590 13.136 -15.668 1.00 14.87 C ATOM 620 H ALA A 66 -0.079 14.781 -13.748 1.00 0.00 H ATOM 621 N MET A 67 2.696 13.842 -15.344 1.00 10.23 N ATOM 622 CA MET A 67 4.019 13.878 -15.978 1.00 9.42 C ATOM 623 C MET A 67 5.039 13.030 -15.220 1.00 13.73 C ATOM 624 O MET A 67 6.099 12.712 -15.760 1.00 13.71 O ATOM 625 CB MET A 67 4.528 15.327 -16.019 1.00 10.84 C ATOM 626 CG MET A 67 3.706 16.243 -16.906 1.00 14.36 C ATOM 627 SD MET A 67 4.319 17.946 -16.813 1.00 17.69 S ATOM 628 CE MET A 67 5.813 17.809 -17.721 1.00 14.75 C ATOM 629 H MET A 67 2.378 14.685 -14.824 1.00 0.00 H ATOM 630 N ARG A 68 4.747 12.710 -13.952 1.00 11.43 N ATOM 631 CA ARG A 68 5.686 12.014 -13.077 1.00 11.28 C ATOM 632 C ARG A 68 6.150 10.666 -13.588 1.00 13.62 C ATOM 633 O ARG A 68 7.357 10.430 -13.583 1.00 13.48 O ATOM 634 CB ARG A 68 5.152 11.904 -11.648 1.00 13.73 C ATOM 635 CG ARG A 68 5.147 13.257 -10.972 1.00 14.43 C ATOM 636 CD ARG A 68 4.674 13.168 -9.554 1.00 12.75 C ATOM 637 NE ARG A 68 4.170 14.454 -9.078 1.00 13.30 N ATOM 638 CZ ARG A 68 3.379 14.589 -8.018 1.00 27.46 C ATOM 639 NH1 ARG A 68 3.000 13.523 -7.322 1.00 22.50 N ATOM 640 NH2 ARG A 68 2.962 15.789 -7.645 1.00 16.57 N ATOM 641 HE ARG A 68 4.445 15.312 -9.597 1.00 0.00 H ATOM 642 HH12 ARG A 68 2.381 13.636 -6.494 1.00 0.00 H ATOM 643 HH11 ARG A 68 3.322 12.576 -7.605 1.00 0.00 H ATOM 644 HH22 ARG A 68 2.343 15.890 -6.815 1.00 0.00 H ATOM 645 HH21 ARG A 68 3.253 16.631 -8.182 1.00 0.00 H ATOM 646 H ARG A 68 3.813 12.968 -13.575 1.00 0.00 H ATOM 647 N ASP A 69 5.219 9.817 -14.060 1.00 10.77 N ATOM 648 CA ASP A 69 5.519 8.480 -14.570 1.00 10.73 C ATOM 649 C ASP A 69 6.715 8.452 -15.533 1.00 13.44 C ATOM 650 O ASP A 69 7.719 7.804 -15.236 1.00 12.35 O ATOM 651 CB ASP A 69 4.271 7.860 -15.222 1.00 13.03 C ATOM 652 CG ASP A 69 4.488 6.433 -15.661 1.00 21.41 C ATOM 653 OD1 ASP A 69 4.431 5.535 -14.797 1.00 21.83 O ATOM 654 OD2 ASP A 69 4.752 6.217 -16.865 1.00 28.37 O ATOM 655 H ASP A 69 4.227 10.130 -14.062 1.00 0.00 H ATOM 656 N GLN A 70 6.623 9.190 -16.652 1.00 10.38 N ATOM 657 CA GLN A 70 7.677 9.222 -17.678 1.00 10.45 C ATOM 658 C GLN A 70 9.006 9.817 -17.197 1.00 13.14 C ATOM 659 O GLN A 70 10.055 9.235 -17.503 1.00 11.73 O ATOM 660 CB GLN A 70 7.204 9.906 -18.972 1.00 12.41 C ATOM 661 CG GLN A 70 8.112 9.667 -20.192 1.00 25.09 C ATOM 662 CD GLN A 70 8.545 8.226 -20.403 1.00 42.36 C ATOM 663 OE1 GLN A 70 7.728 7.293 -20.473 1.00 34.16 O ATOM 664 NE2 GLN A 70 9.852 8.016 -20.513 1.00 31.46 N ATOM 665 HE22 GLN A 70 10.514 8.816 -20.451 1.00 0.00 H ATOM 666 HE21 GLN A 70 10.213 7.052 -20.662 1.00 0.00 H ATOM 667 H GLN A 70 5.769 9.764 -16.799 1.00 0.00 H ATOM 668 N TYR A 71 8.982 10.916 -16.411 1.00 9.65 N ATOM 669 CA TYR A 71 10.273 11.454 -15.971 1.00 7.99 C ATOM 670 C TYR A 71 10.931 10.546 -14.930 1.00 10.18 C ATOM 671 O TYR A 71 12.158 10.480 -14.873 1.00 9.59 O ATOM 672 CB TYR A 71 10.217 12.938 -15.547 1.00 7.91 C ATOM 673 CG TYR A 71 9.598 13.312 -14.216 1.00 7.83 C ATOM 674 CD1 TYR A 71 10.171 12.892 -13.017 1.00 8.31 C ATOM 675 CD2 TYR A 71 8.576 14.259 -14.146 1.00 8.33 C ATOM 676 CE1 TYR A 71 9.657 13.292 -11.790 1.00 7.95 C ATOM 677 CE2 TYR A 71 8.082 14.702 -12.918 1.00 8.74 C ATOM 678 CZ TYR A 71 8.622 14.207 -11.742 1.00 12.05 C ATOM 679 OH TYR A 71 8.170 14.634 -10.517 1.00 11.71 O ATOM 680 HH TYR A 71 7.206 14.427 -10.432 1.00 0.00 H ATOM 681 H TYR A 71 8.085 11.362 -16.130 1.00 0.00 H ATOM 682 N MET A 72 10.128 9.810 -14.150 1.00 6.48 N ATOM 683 CA MET A 72 10.678 8.884 -13.160 1.00 5.75 C ATOM 684 C MET A 72 11.317 7.683 -13.837 1.00 9.48 C ATOM 685 O MET A 72 12.416 7.302 -13.446 1.00 9.16 O ATOM 686 CB MET A 72 9.638 8.505 -12.104 1.00 7.35 C ATOM 687 CG MET A 72 9.321 9.666 -11.182 1.00 8.65 C ATOM 688 SD MET A 72 7.905 9.304 -10.131 1.00 11.38 S ATOM 689 CE MET A 72 7.790 10.846 -9.233 1.00 8.44 C ATOM 690 H MET A 72 9.097 9.898 -14.250 1.00 0.00 H ATOM 691 N ARG A 73 10.701 7.151 -14.919 1.00 7.92 N ATOM 692 CA ARG A 73 11.301 6.046 -15.686 1.00 7.97 C ATOM 693 C ARG A 73 12.636 6.477 -16.319 1.00 10.92 C ATOM 694 O ARG A 73 13.599 5.711 -16.318 1.00 9.81 O ATOM 695 CB ARG A 73 10.347 5.534 -16.789 1.00 10.10 C ATOM 696 CG ARG A 73 9.159 4.758 -16.266 1.00 20.18 C ATOM 697 CD ARG A 73 8.279 4.183 -17.365 1.00 27.25 C ATOM 698 NE ARG A 73 6.871 4.073 -16.958 1.00 37.89 N ATOM 699 CZ ARG A 73 6.362 3.091 -16.211 1.00 57.04 C ATOM 700 NH1 ARG A 73 5.071 3.077 -15.914 1.00 50.09 N ATOM 701 NH2 ARG A 73 7.144 2.121 -15.750 1.00 42.90 N ATOM 702 HE ARG A 73 6.220 4.819 -17.277 1.00 0.00 H ATOM 703 HH12 ARG A 73 4.680 2.309 -15.332 1.00 0.00 H ATOM 704 HH11 ARG A 73 4.449 3.834 -16.263 1.00 0.00 H ATOM 705 HH22 ARG A 73 6.740 1.359 -15.169 1.00 0.00 H ATOM 706 HH21 ARG A 73 8.160 2.123 -15.971 1.00 0.00 H ATOM 707 H ARG A 73 9.780 7.533 -15.216 1.00 0.00 H ATOM 708 N THR A 74 12.697 7.716 -16.826 1.00 7.54 N ATOM 709 CA THR A 74 13.878 8.242 -17.518 1.00 7.29 C ATOM 710 C THR A 74 15.008 8.669 -16.568 1.00 10.25 C ATOM 711 O THR A 74 16.184 8.447 -16.890 1.00 9.62 O ATOM 712 CB THR A 74 13.452 9.371 -18.474 1.00 11.70 C ATOM 713 OG1 THR A 74 12.404 8.875 -19.313 1.00 11.11 O ATOM 714 CG2 THR A 74 14.603 9.873 -19.351 1.00 10.47 C ATOM 715 HG1 THR A 74 11.638 8.596 -18.752 1.00 0.00 H ATOM 716 H THR A 74 11.867 8.334 -16.724 1.00 0.00 H ATOM 717 N GLY A 75 14.652 9.291 -15.442 1.00 7.38 N ATOM 718 CA GLY A 75 15.628 9.789 -14.469 1.00 7.46 C ATOM 719 C GLY A 75 16.469 8.703 -13.819 1.00 9.92 C ATOM 720 O GLY A 75 15.968 7.614 -13.541 1.00 9.45 O ATOM 721 H GLY A 75 13.640 9.428 -15.247 1.00 0.00 H ATOM 722 N GLU A 76 17.756 8.978 -13.590 1.00 6.49 N ATOM 723 CA GLU A 76 18.655 7.997 -12.971 1.00 5.51 C ATOM 724 C GLU A 76 18.746 8.171 -11.457 1.00 9.80 C ATOM 725 O GLU A 76 18.917 7.188 -10.736 1.00 10.03 O ATOM 726 CB GLU A 76 20.060 8.094 -13.574 1.00 6.52 C ATOM 727 CG GLU A 76 20.122 7.715 -15.040 1.00 10.04 C ATOM 728 CD GLU A 76 21.517 7.894 -15.591 1.00 13.80 C ATOM 729 OE1 GLU A 76 22.295 6.915 -15.554 1.00 9.80 O ATOM 730 OE2 GLU A 76 21.864 9.033 -15.976 1.00 7.95 O ATOM 731 H GLU A 76 18.130 9.911 -13.857 1.00 0.00 H ATOM 732 N GLY A 77 18.707 9.418 -11.005 1.00 5.07 N ATOM 733 CA GLY A 77 18.806 9.740 -9.588 1.00 5.45 C ATOM 734 C GLY A 77 17.871 10.865 -9.228 1.00 8.36 C ATOM 735 O GLY A 77 17.550 11.708 -10.078 1.00 7.58 O ATOM 736 H GLY A 77 18.602 10.195 -11.688 1.00 0.00 H ATOM 737 N PHE A 78 17.433 10.878 -7.961 1.00 4.80 N ATOM 738 CA PHE A 78 16.446 11.830 -7.487 1.00 4.97 C ATOM 739 C PHE A 78 16.856 12.622 -6.261 1.00 9.19 C ATOM 740 O PHE A 78 17.233 12.049 -5.241 1.00 8.93 O ATOM 741 CB PHE A 78 15.101 11.103 -7.228 1.00 5.81 C ATOM 742 CG PHE A 78 14.584 10.424 -8.478 1.00 6.13 C ATOM 743 CD1 PHE A 78 15.099 9.195 -8.886 1.00 8.12 C ATOM 744 CD2 PHE A 78 13.649 11.051 -9.292 1.00 7.27 C ATOM 745 CE1 PHE A 78 14.695 8.614 -10.090 1.00 8.33 C ATOM 746 CE2 PHE A 78 13.228 10.458 -10.485 1.00 8.90 C ATOM 747 CZ PHE A 78 13.737 9.233 -10.863 1.00 7.61 C ATOM 748 H PHE A 78 17.815 10.179 -7.292 1.00 0.00 H ATOM 749 N LEU A 79 16.744 13.944 -6.357 1.00 6.26 N ATOM 750 CA LEU A 79 16.944 14.824 -5.220 1.00 6.89 C ATOM 751 C LEU A 79 15.526 15.039 -4.652 1.00 7.76 C ATOM 752 O LEU A 79 14.681 15.637 -5.329 1.00 6.78 O ATOM 753 CB LEU A 79 17.561 16.144 -5.705 1.00 7.64 C ATOM 754 CG LEU A 79 18.794 16.676 -4.986 1.00 13.90 C ATOM 755 CD1 LEU A 79 19.937 15.648 -4.898 1.00 13.62 C ATOM 756 CD2 LEU A 79 19.254 17.973 -5.599 1.00 15.58 C ATOM 757 H LEU A 79 16.505 14.362 -7.279 1.00 0.00 H ATOM 758 N CYS A 80 15.231 14.458 -3.469 1.00 5.65 N ATOM 759 CA CYS A 80 13.915 14.568 -2.833 1.00 6.05 C ATOM 760 C CYS A 80 13.990 15.717 -1.835 1.00 7.73 C ATOM 761 O CYS A 80 14.542 15.579 -0.740 1.00 6.84 O ATOM 762 CB CYS A 80 13.508 13.253 -2.175 1.00 7.43 C ATOM 763 SG CYS A 80 13.140 11.935 -3.363 1.00 12.05 S ATOM 764 H CYS A 80 15.971 13.908 -2.988 1.00 0.00 H ATOM 765 N VAL A 81 13.486 16.867 -2.265 1.00 5.12 N ATOM 766 CA VAL A 81 13.575 18.128 -1.535 1.00 5.08 C ATOM 767 C VAL A 81 12.357 18.442 -0.690 1.00 8.21 C ATOM 768 O VAL A 81 11.237 18.431 -1.183 1.00 6.89 O ATOM 769 CB VAL A 81 13.877 19.310 -2.520 1.00 8.03 C ATOM 770 CG1 VAL A 81 14.210 20.595 -1.757 1.00 7.52 C ATOM 771 CG2 VAL A 81 15.010 18.957 -3.496 1.00 7.56 C ATOM 772 H VAL A 81 12.996 16.870 -3.182 1.00 0.00 H ATOM 773 N PHE A 82 12.588 18.775 0.583 1.00 6.32 N ATOM 774 CA PHE A 82 11.551 19.310 1.454 1.00 5.40 C ATOM 775 C PHE A 82 12.128 20.622 1.981 1.00 9.09 C ATOM 776 O PHE A 82 13.342 20.842 1.864 1.00 7.04 O ATOM 777 CB PHE A 82 11.192 18.343 2.603 1.00 6.87 C ATOM 778 CG PHE A 82 12.248 18.167 3.669 1.00 7.27 C ATOM 779 CD1 PHE A 82 13.235 17.195 3.539 1.00 9.28 C ATOM 780 CD2 PHE A 82 12.234 18.948 4.824 1.00 7.88 C ATOM 781 CE1 PHE A 82 14.203 17.025 4.532 1.00 10.05 C ATOM 782 CE2 PHE A 82 13.211 18.789 5.806 1.00 11.06 C ATOM 783 CZ PHE A 82 14.179 17.817 5.664 1.00 9.16 C ATOM 784 H PHE A 82 13.546 18.647 0.967 1.00 0.00 H ATOM 785 N ALA A 83 11.276 21.488 2.561 1.00 6.86 N ATOM 786 CA ALA A 83 11.749 22.735 3.170 1.00 6.65 C ATOM 787 C ALA A 83 11.720 22.554 4.686 1.00 9.32 C ATOM 788 O ALA A 83 10.753 22.014 5.222 1.00 8.93 O ATOM 789 CB ALA A 83 10.873 23.907 2.750 1.00 7.11 C ATOM 790 H ALA A 83 10.260 21.268 2.577 1.00 0.00 H ATOM 791 N ILE A 84 12.791 22.971 5.371 1.00 6.65 N ATOM 792 CA ILE A 84 12.946 22.791 6.831 1.00 6.67 C ATOM 793 C ILE A 84 11.902 23.588 7.669 1.00 10.56 C ATOM 794 O ILE A 84 11.805 23.371 8.879 1.00 11.64 O ATOM 795 CB ILE A 84 14.397 23.055 7.291 1.00 9.17 C ATOM 796 CG1 ILE A 84 14.793 24.529 7.086 1.00 9.64 C ATOM 797 CG2 ILE A 84 15.379 22.080 6.591 1.00 7.83 C ATOM 798 CD1 ILE A 84 15.620 25.059 8.158 1.00 22.53 C ATOM 799 H ILE A 84 13.555 23.447 4.849 1.00 0.00 H ATOM 800 N ASN A 85 11.122 24.478 7.027 1.00 7.60 N ATOM 801 CA ASN A 85 10.057 25.250 7.678 1.00 7.48 C ATOM 802 C ASN A 85 8.676 24.752 7.187 1.00 11.13 C ATOM 803 O ASN A 85 7.682 25.466 7.315 1.00 11.54 O ATOM 804 CB ASN A 85 10.241 26.760 7.413 1.00 8.69 C ATOM 805 CG ASN A 85 10.020 27.159 5.971 1.00 14.05 C ATOM 806 OD1 ASN A 85 10.162 26.348 5.059 1.00 9.06 O ATOM 807 ND2 ASN A 85 9.625 28.409 5.736 1.00 9.36 N ATOM 808 HD22 ASN A 85 9.512 29.076 6.526 1.00 0.00 H ATOM 809 HD21 ASN A 85 9.429 28.718 4.763 1.00 0.00 H ATOM 810 H ASN A 85 11.284 24.627 6.011 1.00 0.00 H ATOM 811 N ASN A 86 8.629 23.546 6.593 1.00 8.57 N ATOM 812 CA ASN A 86 7.387 22.996 6.051 1.00 7.93 C ATOM 813 C ASN A 86 7.276 21.490 6.315 1.00 10.83 C ATOM 814 O ASN A 86 7.725 20.680 5.507 1.00 9.45 O ATOM 815 CB ASN A 86 7.261 23.340 4.553 1.00 7.91 C ATOM 816 CG ASN A 86 6.012 22.840 3.855 1.00 19.93 C ATOM 817 OD1 ASN A 86 5.178 22.136 4.423 1.00 12.59 O ATOM 818 ND2 ASN A 86 5.876 23.170 2.575 1.00 12.24 N ATOM 819 HD22 ASN A 86 6.592 23.766 2.113 1.00 0.00 H ATOM 820 HD21 ASN A 86 5.054 22.832 2.035 1.00 0.00 H ATOM 821 H ASN A 86 9.503 22.987 6.517 1.00 0.00 H ATOM 822 N THR A 87 6.637 21.122 7.440 1.00 9.97 N ATOM 823 CA THR A 87 6.459 19.715 7.841 1.00 9.88 C ATOM 824 C THR A 87 5.681 18.911 6.781 1.00 12.17 C ATOM 825 O THR A 87 6.011 17.746 6.540 1.00 10.75 O ATOM 826 CB THR A 87 5.844 19.638 9.260 1.00 16.04 C ATOM 827 OG1 THR A 87 6.714 20.315 10.164 1.00 14.83 O ATOM 828 CG2 THR A 87 5.661 18.207 9.752 1.00 17.65 C ATOM 829 HG1 THR A 87 6.807 21.260 9.885 1.00 0.00 H ATOM 830 H THR A 87 6.250 21.865 8.056 1.00 0.00 H ATOM 831 N LYS A 88 4.655 19.525 6.142 1.00 9.02 N ATOM 832 CA LYS A 88 3.882 18.849 5.091 1.00 8.11 C ATOM 833 C LYS A 88 4.818 18.404 3.945 1.00 11.04 C ATOM 834 O LYS A 88 4.714 17.261 3.485 1.00 10.63 O ATOM 835 CB LYS A 88 2.740 19.755 4.558 1.00 10.11 C ATOM 836 CG LYS A 88 1.882 19.158 3.423 1.00 11.86 C ATOM 837 CD LYS A 88 1.211 17.809 3.767 1.00 19.52 C ATOM 838 CE LYS A 88 0.074 17.435 2.836 1.00 19.96 C ATOM 839 NZ LYS A 88 0.525 17.257 1.428 1.00 25.98 N ATOM 840 HZ1 LYS A 88 0.942 18.145 1.084 1.00 0.00 H ATOM 841 HZ2 LYS A 88 1.236 16.499 1.386 1.00 0.00 H ATOM 842 HZ3 LYS A 88 -0.290 17.002 0.834 1.00 0.00 H ATOM 843 H LYS A 88 4.408 20.501 6.403 1.00 0.00 H ATOM 844 N SER A 89 5.752 19.283 3.513 1.00 7.45 N ATOM 845 CA SER A 89 6.693 18.932 2.442 1.00 6.83 C ATOM 846 C SER A 89 7.599 17.771 2.861 1.00 10.21 C ATOM 847 O SER A 89 7.969 16.961 2.024 1.00 9.43 O ATOM 848 CB SER A 89 7.516 20.142 2.013 1.00 8.84 C ATOM 849 OG SER A 89 8.524 20.506 2.938 1.00 10.16 O ATOM 850 HG SER A 89 8.107 20.727 3.808 1.00 0.00 H ATOM 851 H SER A 89 5.804 20.226 3.948 1.00 0.00 H ATOM 852 N PHE A 90 7.917 17.681 4.164 1.00 7.73 N ATOM 853 CA PHE A 90 8.721 16.599 4.742 1.00 7.09 C ATOM 854 C PHE A 90 7.923 15.287 4.662 1.00 12.18 C ATOM 855 O PHE A 90 8.455 14.268 4.217 1.00 10.84 O ATOM 856 CB PHE A 90 9.121 16.950 6.183 1.00 8.59 C ATOM 857 CG PHE A 90 10.006 15.943 6.875 1.00 10.24 C ATOM 858 CD1 PHE A 90 11.289 15.683 6.408 1.00 11.91 C ATOM 859 CD2 PHE A 90 9.581 15.303 8.036 1.00 13.24 C ATOM 860 CE1 PHE A 90 12.116 14.773 7.062 1.00 13.05 C ATOM 861 CE2 PHE A 90 10.405 14.377 8.684 1.00 16.21 C ATOM 862 CZ PHE A 90 11.670 14.120 8.194 1.00 13.48 C ATOM 863 H PHE A 90 7.571 18.426 4.802 1.00 0.00 H ATOM 864 N GLU A 91 6.626 15.334 5.017 1.00 9.30 N ATOM 865 CA GLU A 91 5.726 14.174 4.922 1.00 9.52 C ATOM 866 C GLU A 91 5.500 13.735 3.461 1.00 13.24 C ATOM 867 O GLU A 91 5.343 12.536 3.200 1.00 14.56 O ATOM 868 CB GLU A 91 4.382 14.481 5.601 1.00 11.31 C ATOM 869 CG GLU A 91 4.468 14.518 7.117 1.00 20.88 C ATOM 870 CD GLU A 91 3.379 15.284 7.844 1.00 36.11 C ATOM 871 OE1 GLU A 91 3.573 15.569 9.046 1.00 28.62 O ATOM 872 OE2 GLU A 91 2.347 15.620 7.219 1.00 28.09 O ATOM 873 H GLU A 91 6.242 16.232 5.375 1.00 0.00 H ATOM 874 N ASP A 92 5.511 14.695 2.511 1.00 8.47 N ATOM 875 CA ASP A 92 5.317 14.426 1.083 1.00 7.93 C ATOM 876 C ASP A 92 6.423 13.583 0.473 1.00 12.22 C ATOM 877 O ASP A 92 6.178 12.919 -0.540 1.00 11.97 O ATOM 878 CB ASP A 92 5.201 15.732 0.290 1.00 9.32 C ATOM 879 CG ASP A 92 3.910 16.491 0.502 1.00 12.89 C ATOM 880 OD1 ASP A 92 2.985 15.932 1.116 1.00 13.11 O ATOM 881 OD2 ASP A 92 3.819 17.627 0.032 1.00 15.75 O ATOM 882 H ASP A 92 5.666 15.679 2.809 1.00 0.00 H ATOM 883 N ILE A 93 7.645 13.625 1.066 1.00 8.48 N ATOM 884 CA ILE A 93 8.797 12.849 0.584 1.00 8.85 C ATOM 885 C ILE A 93 8.416 11.373 0.421 1.00 12.58 C ATOM 886 O ILE A 93 8.746 10.779 -0.598 1.00 11.36 O ATOM 887 CB ILE A 93 10.052 13.031 1.496 1.00 12.15 C ATOM 888 CG1 ILE A 93 10.562 14.503 1.526 1.00 12.62 C ATOM 889 CG2 ILE A 93 11.183 12.045 1.132 1.00 12.64 C ATOM 890 CD1 ILE A 93 11.003 15.114 0.164 1.00 17.09 C ATOM 891 H ILE A 93 7.771 14.234 1.899 1.00 0.00 H ATOM 892 N HIS A 94 7.701 10.806 1.412 1.00 11.15 N ATOM 893 CA HIS A 94 7.246 9.413 1.390 1.00 12.57 C ATOM 894 C HIS A 94 6.519 9.077 0.075 1.00 15.97 C ATOM 895 O HIS A 94 6.852 8.079 -0.568 1.00 14.09 O ATOM 896 CB HIS A 94 6.326 9.130 2.605 1.00 15.30 C ATOM 897 CG HIS A 94 5.743 7.750 2.610 1.00 20.14 C ATOM 898 ND1 HIS A 94 6.486 6.656 3.013 1.00 22.83 N ATOM 899 CD2 HIS A 94 4.516 7.328 2.230 1.00 23.08 C ATOM 900 CE1 HIS A 94 5.691 5.609 2.873 1.00 22.91 C ATOM 901 NE2 HIS A 94 4.493 5.964 2.406 1.00 23.62 N ATOM 902 H HIS A 94 7.458 11.389 2.238 1.00 0.00 H ATOM 903 N HIS A 95 5.545 9.925 -0.326 1.00 13.65 N ATOM 904 CA HIS A 95 4.734 9.723 -1.528 1.00 14.60 C ATOM 905 C HIS A 95 5.565 9.805 -2.817 1.00 15.31 C ATOM 906 O HIS A 95 5.393 8.957 -3.704 1.00 13.88 O ATOM 907 CB HIS A 95 3.530 10.673 -1.526 1.00 16.80 C ATOM 908 CG HIS A 95 2.677 10.483 -0.307 1.00 22.14 C ATOM 909 ND1 HIS A 95 2.827 11.290 0.814 1.00 24.64 N ATOM 910 CD2 HIS A 95 1.765 9.521 -0.032 1.00 25.44 C ATOM 911 CE1 HIS A 95 1.965 10.829 1.706 1.00 24.95 C ATOM 912 NE2 HIS A 95 1.308 9.761 1.248 1.00 25.86 N ATOM 913 H HIS A 95 5.361 10.769 0.253 1.00 0.00 H ATOM 914 N TYR A 96 6.499 10.780 -2.897 1.00 10.17 N ATOM 915 CA TYR A 96 7.391 10.905 -4.048 1.00 9.23 C ATOM 916 C TYR A 96 8.283 9.668 -4.132 1.00 11.95 C ATOM 917 O TYR A 96 8.385 9.070 -5.198 1.00 11.58 O ATOM 918 CB TYR A 96 8.248 12.186 -3.983 1.00 8.94 C ATOM 919 CG TYR A 96 7.619 13.364 -4.694 1.00 9.41 C ATOM 920 CD1 TYR A 96 7.655 13.465 -6.083 1.00 11.11 C ATOM 921 CD2 TYR A 96 7.000 14.387 -3.980 1.00 9.57 C ATOM 922 CE1 TYR A 96 7.066 14.539 -6.746 1.00 11.73 C ATOM 923 CE2 TYR A 96 6.417 15.474 -4.632 1.00 9.49 C ATOM 924 CZ TYR A 96 6.438 15.537 -6.017 1.00 13.02 C ATOM 925 OH TYR A 96 5.861 16.595 -6.681 1.00 11.14 O ATOM 926 HH TYR A 96 4.897 16.636 -6.460 1.00 0.00 H ATOM 927 H TYR A 96 6.585 11.461 -2.116 1.00 0.00 H ATOM 928 N ARG A 97 8.892 9.266 -2.998 1.00 8.81 N ATOM 929 CA ARG A 97 9.771 8.090 -2.951 1.00 9.37 C ATOM 930 C ARG A 97 9.009 6.807 -3.327 1.00 13.39 C ATOM 931 O ARG A 97 9.519 6.025 -4.123 1.00 12.63 O ATOM 932 CB ARG A 97 10.510 7.998 -1.595 1.00 9.02 C ATOM 933 CG ARG A 97 11.287 6.698 -1.380 1.00 16.40 C ATOM 934 CD ARG A 97 12.218 6.770 -0.180 1.00 14.97 C ATOM 935 NE ARG A 97 12.791 5.456 0.111 1.00 14.50 N ATOM 936 CZ ARG A 97 13.926 5.005 -0.410 1.00 27.10 C ATOM 937 NH1 ARG A 97 14.641 5.771 -1.223 1.00 15.41 N ATOM 938 NH2 ARG A 97 14.359 3.785 -0.115 1.00 19.88 N ATOM 939 HE ARG A 97 12.277 4.835 0.768 1.00 0.00 H ATOM 940 HH12 ARG A 97 15.529 5.412 -1.628 1.00 0.00 H ATOM 941 HH11 ARG A 97 14.313 6.730 -1.455 1.00 0.00 H ATOM 942 HH22 ARG A 97 15.249 3.436 -0.525 1.00 0.00 H ATOM 943 HH21 ARG A 97 13.809 3.179 0.526 1.00 0.00 H ATOM 944 H ARG A 97 8.734 9.808 -2.125 1.00 0.00 H ATOM 945 N GLU A 98 7.764 6.632 -2.838 1.00 10.92 N ATOM 946 CA GLU A 98 6.964 5.453 -3.185 1.00 11.98 C ATOM 947 C GLU A 98 6.650 5.362 -4.684 1.00 15.17 C ATOM 948 O GLU A 98 6.756 4.275 -5.259 1.00 15.01 O ATOM 949 CB GLU A 98 5.695 5.367 -2.331 1.00 14.20 C ATOM 950 CG GLU A 98 5.956 4.940 -0.890 1.00 24.21 C ATOM 951 CD GLU A 98 6.675 3.618 -0.689 1.00 45.82 C ATOM 952 OE1 GLU A 98 7.786 3.635 -0.111 1.00 30.15 O ATOM 953 OE2 GLU A 98 6.135 2.570 -1.110 1.00 39.40 O ATOM 954 H GLU A 98 7.363 7.349 -2.201 1.00 0.00 H ATOM 955 N GLN A 99 6.336 6.503 -5.330 1.00 11.40 N ATOM 956 CA GLN A 99 6.064 6.510 -6.768 1.00 10.88 C ATOM 957 C GLN A 99 7.327 6.194 -7.576 1.00 13.30 C ATOM 958 O GLN A 99 7.268 5.355 -8.470 1.00 13.70 O ATOM 959 CB GLN A 99 5.435 7.828 -7.230 1.00 11.76 C ATOM 960 CG GLN A 99 4.856 7.702 -8.634 1.00 22.80 C ATOM 961 CD GLN A 99 4.237 8.967 -9.155 1.00 31.94 C ATOM 962 OE1 GLN A 99 4.120 9.977 -8.456 1.00 24.60 O ATOM 963 NE2 GLN A 99 3.795 8.915 -10.397 1.00 24.12 N ATOM 964 HE22 GLN A 99 3.912 8.045 -10.955 1.00 0.00 H ATOM 965 HE21 GLN A 99 3.329 9.744 -10.818 1.00 0.00 H ATOM 966 H GLN A 99 6.286 7.394 -4.797 1.00 0.00 H ATOM 967 N ILE A 100 8.466 6.822 -7.235 1.00 9.16 N ATOM 968 CA ILE A 100 9.749 6.583 -7.913 1.00 7.69 C ATOM 969 C ILE A 100 10.105 5.085 -7.867 1.00 12.17 C ATOM 970 O ILE A 100 10.372 4.490 -8.912 1.00 11.10 O ATOM 971 CB ILE A 100 10.884 7.467 -7.315 1.00 9.81 C ATOM 972 CG1 ILE A 100 10.628 8.970 -7.577 1.00 9.33 C ATOM 973 CG2 ILE A 100 12.261 7.034 -7.856 1.00 9.75 C ATOM 974 CD1 ILE A 100 11.414 9.913 -6.620 1.00 9.60 C ATOM 975 H ILE A 100 8.438 7.509 -6.455 1.00 0.00 H ATOM 976 N LYS A 101 10.077 4.472 -6.662 1.00 10.79 N ATOM 977 CA LYS A 101 10.404 3.044 -6.506 1.00 11.33 C ATOM 978 C LYS A 101 9.491 2.138 -7.318 1.00 16.58 C ATOM 979 O LYS A 101 9.974 1.193 -7.951 1.00 15.17 O ATOM 980 CB LYS A 101 10.380 2.622 -5.026 1.00 13.89 C ATOM 981 CG LYS A 101 11.475 3.260 -4.169 1.00 14.69 C ATOM 982 CD LYS A 101 11.514 2.664 -2.759 1.00 20.73 C ATOM 983 CE LYS A 101 10.317 3.023 -1.916 1.00 23.38 C ATOM 984 NZ LYS A 101 10.254 2.201 -0.679 1.00 26.33 N ATOM 985 HZ1 LYS A 101 10.186 1.195 -0.936 1.00 0.00 H ATOM 986 HZ2 LYS A 101 11.113 2.359 -0.115 1.00 0.00 H ATOM 987 HZ3 LYS A 101 9.418 2.475 -0.124 1.00 0.00 H ATOM 988 H LYS A 101 9.817 5.025 -5.820 1.00 0.00 H ATOM 989 N ARG A 102 8.178 2.423 -7.309 1.00 14.63 N ATOM 990 CA ARG A 102 7.183 1.627 -8.031 1.00 15.23 C ATOM 991 C ARG A 102 7.368 1.725 -9.545 1.00 17.78 C ATOM 992 O ARG A 102 7.477 0.697 -10.211 1.00 16.55 O ATOM 993 CB ARG A 102 5.764 2.037 -7.620 1.00 16.32 C ATOM 994 CG ARG A 102 4.652 1.282 -8.354 1.00 24.72 C ATOM 995 CD ARG A 102 3.249 1.570 -7.824 1.00 32.44 C ATOM 996 NE ARG A 102 3.060 2.952 -7.367 1.00 36.97 N ATOM 997 CZ ARG A 102 2.753 3.981 -8.150 1.00 49.47 C ATOM 998 NH1 ARG A 102 2.616 3.811 -9.460 1.00 34.57 N ATOM 999 NH2 ARG A 102 2.592 5.190 -7.632 1.00 38.29 N ATOM 1000 HE ARG A 102 3.175 3.141 -6.351 1.00 0.00 H ATOM 1001 HH12 ARG A 102 2.376 4.620 -10.067 1.00 0.00 H ATOM 1002 HH11 ARG A 102 2.749 2.868 -9.879 1.00 0.00 H ATOM 1003 HH22 ARG A 102 2.352 5.992 -8.249 1.00 0.00 H ATOM 1004 HH21 ARG A 102 2.706 5.337 -6.609 1.00 0.00 H ATOM 1005 H ARG A 102 7.853 3.247 -6.764 1.00 0.00 H ATOM 1006 N VAL A 103 7.402 2.966 -10.073 1.00 13.57 N ATOM 1007 CA VAL A 103 7.553 3.278 -11.493 1.00 12.75 C ATOM 1008 C VAL A 103 8.845 2.654 -12.068 1.00 14.92 C ATOM 1009 O VAL A 103 8.811 2.064 -13.147 1.00 14.73 O ATOM 1010 CB VAL A 103 7.435 4.817 -11.731 1.00 16.64 C ATOM 1011 CG1 VAL A 103 7.872 5.209 -13.132 1.00 16.65 C ATOM 1012 CG2 VAL A 103 6.008 5.304 -11.474 1.00 16.56 C ATOM 1013 H VAL A 103 7.313 3.767 -9.415 1.00 0.00 H ATOM 1014 N LYS A 104 9.954 2.735 -11.314 1.00 10.05 N ATOM 1015 CA LYS A 104 11.247 2.187 -11.728 1.00 9.46 C ATOM 1016 C LYS A 104 11.449 0.712 -11.361 1.00 16.07 C ATOM 1017 O LYS A 104 12.434 0.118 -11.811 1.00 15.19 O ATOM 1018 CB LYS A 104 12.399 3.026 -11.143 1.00 9.04 C ATOM 1019 CG LYS A 104 12.375 4.492 -11.584 1.00 9.72 C ATOM 1020 CD LYS A 104 13.658 5.232 -11.215 1.00 9.23 C ATOM 1021 CE LYS A 104 14.820 4.910 -12.129 1.00 11.90 C ATOM 1022 NZ LYS A 104 14.536 5.235 -13.573 1.00 6.80 N ATOM 1023 HZ1 LYS A 104 13.715 4.684 -13.896 1.00 0.00 H ATOM 1024 HZ2 LYS A 104 14.331 6.251 -13.665 1.00 0.00 H ATOM 1025 HZ3 LYS A 104 15.366 4.994 -14.151 1.00 0.00 H ATOM 1026 H LYS A 104 9.891 3.210 -10.391 1.00 0.00 H ATOM 1027 N ASP A 105 10.557 0.132 -10.517 1.00 14.72 N ATOM 1028 CA ASP A 105 10.667 -1.246 -10.005 1.00 16.34 C ATOM 1029 C ASP A 105 12.068 -1.450 -9.388 1.00 20.63 C ATOM 1030 O ASP A 105 12.804 -2.382 -9.728 1.00 20.77 O ATOM 1031 CB ASP A 105 10.307 -2.285 -11.093 1.00 19.61 C ATOM 1032 CG ASP A 105 10.258 -3.721 -10.606 1.00 33.24 C ATOM 1033 OD1 ASP A 105 9.755 -3.952 -9.480 1.00 34.41 O ATOM 1034 OD2 ASP A 105 10.721 -4.614 -11.349 1.00 38.45 O ATOM 1035 H ASP A 105 9.740 0.699 -10.211 1.00 0.00 H ATOM 1036 N SER A 106 12.451 -0.499 -8.522 1.00 16.45 N ATOM 1037 CA SER A 106 13.751 -0.433 -7.869 1.00 16.69 C ATOM 1038 C SER A 106 13.632 0.257 -6.509 1.00 20.45 C ATOM 1039 O SER A 106 13.443 1.473 -6.419 1.00 20.98 O ATOM 1040 CB SER A 106 14.757 0.275 -8.776 1.00 19.57 C ATOM 1041 OG SER A 106 15.945 0.698 -8.125 1.00 28.15 O ATOM 1042 HG SER A 106 16.408 -0.089 -7.742 1.00 0.00 H ATOM 1043 H SER A 106 11.765 0.250 -8.300 1.00 0.00 H ATOM 1044 N GLU A 107 13.759 -0.532 -5.443 1.00 13.77 N ATOM 1045 CA GLU A 107 13.691 -0.030 -4.073 1.00 12.13 C ATOM 1046 C GLU A 107 15.018 0.591 -3.701 1.00 18.71 C ATOM 1047 O GLU A 107 15.126 1.348 -2.734 1.00 20.81 O ATOM 1048 CB GLU A 107 13.342 -1.173 -3.125 1.00 13.40 C ATOM 1049 CG GLU A 107 11.975 -1.765 -3.423 1.00 17.17 C ATOM 1050 CD GLU A 107 11.501 -2.816 -2.444 1.00 28.86 C ATOM 1051 OE1 GLU A 107 10.518 -3.519 -2.770 1.00 18.74 O ATOM 1052 OE2 GLU A 107 12.094 -2.925 -1.347 1.00 21.10 O ATOM 1053 H GLU A 107 13.913 -1.550 -5.593 1.00 0.00 H ATOM 1054 N ASP A 108 16.006 0.314 -4.543 1.00 14.99 N ATOM 1055 CA ASP A 108 17.389 0.703 -4.453 1.00 15.13 C ATOM 1056 C ASP A 108 17.750 2.025 -5.178 1.00 17.50 C ATOM 1057 O ASP A 108 18.914 2.447 -5.117 1.00 17.62 O ATOM 1058 CB ASP A 108 18.209 -0.458 -5.062 1.00 17.07 C ATOM 1059 CG ASP A 108 19.607 -0.496 -4.529 1.00 26.37 C ATOM 1060 OD1 ASP A 108 19.870 0.182 -3.508 1.00 30.95 O ATOM 1061 OD2 ASP A 108 20.441 -1.176 -5.129 1.00 24.10 O ATOM 1062 H ASP A 108 15.748 -0.257 -5.373 1.00 0.00 H ATOM 1063 N VAL A 109 16.762 2.683 -5.829 1.00 10.71 N ATOM 1064 CA VAL A 109 16.939 3.887 -6.668 1.00 9.05 C ATOM 1065 C VAL A 109 17.879 4.951 -6.049 1.00 11.17 C ATOM 1066 O VAL A 109 17.652 5.369 -4.907 1.00 10.75 O ATOM 1067 CB VAL A 109 15.595 4.545 -7.122 1.00 12.14 C ATOM 1068 CG1 VAL A 109 15.831 5.696 -8.094 1.00 10.54 C ATOM 1069 CG2 VAL A 109 14.668 3.546 -7.782 1.00 13.32 C ATOM 1070 H VAL A 109 15.796 2.310 -5.730 1.00 0.00 H ATOM 1071 N PRO A 110 18.902 5.430 -6.809 1.00 7.37 N ATOM 1072 CA PRO A 110 19.755 6.515 -6.298 1.00 6.63 C ATOM 1073 C PRO A 110 18.889 7.713 -5.910 1.00 9.77 C ATOM 1074 O PRO A 110 18.048 8.178 -6.690 1.00 7.06 O ATOM 1075 CB PRO A 110 20.671 6.831 -7.487 1.00 8.34 C ATOM 1076 CG PRO A 110 20.716 5.565 -8.265 1.00 12.40 C ATOM 1077 CD PRO A 110 19.325 5.018 -8.167 1.00 8.31 C ATOM 1078 N MET A 111 19.043 8.151 -4.659 1.00 7.20 N ATOM 1079 CA MET A 111 18.240 9.218 -4.091 1.00 6.82 C ATOM 1080 C MET A 111 18.995 9.905 -2.966 1.00 9.05 C ATOM 1081 O MET A 111 19.762 9.263 -2.248 1.00 8.02 O ATOM 1082 CB MET A 111 16.937 8.604 -3.545 1.00 9.83 C ATOM 1083 CG MET A 111 15.885 9.594 -3.143 1.00 13.84 C ATOM 1084 SD MET A 111 14.358 8.719 -2.700 1.00 18.82 S ATOM 1085 CE MET A 111 13.854 8.191 -4.246 1.00 12.29 C ATOM 1086 H MET A 111 19.772 7.708 -4.064 1.00 0.00 H ATOM 1087 N VAL A 112 18.773 11.217 -2.822 1.00 4.80 N ATOM 1088 CA VAL A 112 19.338 12.008 -1.728 1.00 4.64 C ATOM 1089 C VAL A 112 18.190 12.808 -1.105 1.00 8.00 C ATOM 1090 O VAL A 112 17.387 13.389 -1.841 1.00 7.12 O ATOM 1091 CB VAL A 112 20.512 12.925 -2.178 1.00 8.18 C ATOM 1092 CG1 VAL A 112 20.924 13.901 -1.074 1.00 8.58 C ATOM 1093 CG2 VAL A 112 21.705 12.102 -2.636 1.00 8.31 C ATOM 1094 H VAL A 112 18.170 11.697 -3.521 1.00 0.00 H ATOM 1095 N LEU A 113 18.088 12.806 0.237 1.00 4.65 N ATOM 1096 CA LEU A 113 17.078 13.601 0.949 1.00 4.34 C ATOM 1097 C LEU A 113 17.680 14.986 1.132 1.00 8.00 C ATOM 1098 O LEU A 113 18.801 15.101 1.627 1.00 7.41 O ATOM 1099 CB LEU A 113 16.739 12.981 2.326 1.00 4.54 C ATOM 1100 CG LEU A 113 15.628 13.700 3.130 1.00 7.70 C ATOM 1101 CD1 LEU A 113 14.279 13.633 2.409 1.00 7.55 C ATOM 1102 CD2 LEU A 113 15.468 13.095 4.521 1.00 8.14 C ATOM 1103 H LEU A 113 18.747 12.221 0.789 1.00 0.00 H ATOM 1104 N VAL A 114 16.962 16.032 0.702 1.00 5.17 N ATOM 1105 CA VAL A 114 17.470 17.404 0.790 1.00 4.49 C ATOM 1106 C VAL A 114 16.545 18.250 1.660 1.00 8.58 C ATOM 1107 O VAL A 114 15.370 18.388 1.329 1.00 8.66 O ATOM 1108 CB VAL A 114 17.676 18.023 -0.630 1.00 6.49 C ATOM 1109 CG1 VAL A 114 18.034 19.504 -0.541 1.00 6.56 C ATOM 1110 CG2 VAL A 114 18.741 17.269 -1.416 1.00 5.93 C ATOM 1111 H VAL A 114 16.019 15.866 0.295 1.00 0.00 H ATOM 1112 N GLY A 115 17.093 18.836 2.729 1.00 6.28 N ATOM 1113 CA GLY A 115 16.354 19.729 3.616 1.00 6.27 C ATOM 1114 C GLY A 115 16.750 21.136 3.251 1.00 9.52 C ATOM 1115 O GLY A 115 17.824 21.587 3.647 1.00 9.86 O ATOM 1116 H GLY A 115 18.094 18.647 2.939 1.00 0.00 H ATOM 1117 N ASN A 116 15.949 21.787 2.397 1.00 6.01 N ATOM 1118 CA ASN A 116 16.280 23.109 1.876 1.00 5.05 C ATOM 1119 C ASN A 116 15.780 24.252 2.763 1.00 8.99 C ATOM 1120 O ASN A 116 14.962 24.024 3.659 1.00 9.09 O ATOM 1121 CB ASN A 116 15.794 23.242 0.424 1.00 6.29 C ATOM 1122 CG ASN A 116 16.327 24.452 -0.309 1.00 8.63 C ATOM 1123 OD1 ASN A 116 17.508 24.801 -0.219 1.00 7.97 O ATOM 1124 ND2 ASN A 116 15.456 25.155 -1.015 1.00 6.38 N ATOM 1125 HD22 ASN A 116 14.466 24.844 -1.078 1.00 0.00 H ATOM 1126 HD21 ASN A 116 15.762 26.019 -1.507 1.00 0.00 H ATOM 1127 H ASN A 116 15.062 21.335 2.096 1.00 0.00 H ATOM 1128 N LYS A 117 16.282 25.488 2.498 1.00 5.71 N ATOM 1129 CA LYS A 117 15.976 26.739 3.211 1.00 5.92 C ATOM 1130 C LYS A 117 16.621 26.787 4.600 1.00 10.59 C ATOM 1131 O LYS A 117 16.071 27.422 5.501 1.00 9.96 O ATOM 1132 CB LYS A 117 14.447 27.036 3.271 1.00 6.92 C ATOM 1133 CG LYS A 117 13.730 26.894 1.925 1.00 7.88 C ATOM 1134 CD LYS A 117 12.362 27.574 1.948 1.00 9.26 C ATOM 1135 CE LYS A 117 11.644 27.407 0.630 1.00 8.15 C ATOM 1136 NZ LYS A 117 10.336 28.120 0.612 1.00 6.75 N ATOM 1137 HZ1 LYS A 117 9.726 27.742 1.365 1.00 0.00 H ATOM 1138 HZ2 LYS A 117 10.494 29.136 0.770 1.00 0.00 H ATOM 1139 HZ3 LYS A 117 9.878 27.978 -0.311 1.00 0.00 H ATOM 1140 H LYS A 117 16.954 25.557 1.707 1.00 0.00 H ATOM 1141 N CYS A 118 17.778 26.109 4.785 1.00 8.51 N ATOM 1142 CA CYS A 118 18.437 26.074 6.096 1.00 8.64 C ATOM 1143 C CYS A 118 19.033 27.442 6.536 1.00 13.91 C ATOM 1144 O CYS A 118 19.494 27.553 7.675 1.00 14.86 O ATOM 1145 CB CYS A 118 19.460 24.944 6.182 1.00 8.49 C ATOM 1146 SG CYS A 118 20.880 25.151 5.087 1.00 11.62 S ATOM 1147 H CYS A 118 18.208 25.604 3.984 1.00 0.00 H ATOM 1148 N ASP A 119 18.938 28.495 5.683 1.00 10.12 N ATOM 1149 CA ASP A 119 19.360 29.855 6.030 1.00 10.59 C ATOM 1150 C ASP A 119 18.271 30.490 6.942 1.00 16.06 C ATOM 1151 O ASP A 119 18.539 31.523 7.567 1.00 17.03 O ATOM 1152 CB ASP A 119 19.547 30.693 4.761 1.00 12.07 C ATOM 1153 CG ASP A 119 18.325 30.686 3.876 1.00 12.74 C ATOM 1154 OD1 ASP A 119 18.097 29.664 3.192 1.00 9.42 O ATOM 1155 OD2 ASP A 119 17.524 31.631 3.973 1.00 11.27 O ATOM 1156 H ASP A 119 18.545 28.327 4.735 1.00 0.00 H ATOM 1157 N LEU A 120 17.054 29.871 7.008 1.00 13.37 N ATOM 1158 CA LEU A 120 15.892 30.343 7.797 1.00 15.05 C ATOM 1159 C LEU A 120 15.886 29.906 9.276 1.00 25.29 C ATOM 1160 O LEU A 120 15.807 28.697 9.550 1.00 25.96 O ATOM 1161 CB LEU A 120 14.551 29.883 7.180 1.00 14.52 C ATOM 1162 CG LEU A 120 14.161 30.332 5.774 1.00 17.27 C ATOM 1163 CD1 LEU A 120 12.869 29.651 5.354 1.00 17.81 C ATOM 1164 CD2 LEU A 120 13.949 31.821 5.708 1.00 16.11 C ATOM 1165 H LEU A 120 16.934 28.996 6.459 1.00 0.00 H ATOM 1166 N PRO A 121 15.771 30.864 10.228 1.00 25.03 N ATOM 1167 CA PRO A 121 15.700 30.477 11.657 1.00 25.51 C ATOM 1168 C PRO A 121 14.393 29.808 12.117 1.00 30.13 C ATOM 1169 O PRO A 121 14.455 28.916 12.964 1.00 29.58 O ATOM 1170 CB PRO A 121 15.960 31.783 12.401 1.00 27.72 C ATOM 1171 CG PRO A 121 15.568 32.858 11.452 1.00 31.88 C ATOM 1172 CD PRO A 121 15.839 32.330 10.063 1.00 26.62 C ATOM 1173 N SER A 122 13.218 30.235 11.602 1.00 27.81 N ATOM 1174 CA SER A 122 11.931 29.639 11.994 1.00 27.57 C ATOM 1175 C SER A 122 11.769 28.264 11.318 1.00 30.13 C ATOM 1176 O SER A 122 11.073 28.128 10.305 1.00 29.26 O ATOM 1177 CB SER A 122 10.767 30.574 11.675 1.00 31.71 C ATOM 1178 OG SER A 122 9.541 30.067 12.177 1.00 40.61 O ATOM 1179 HG SER A 122 9.604 29.968 13.160 1.00 0.00 H ATOM 1180 H SER A 122 13.224 31.009 10.907 1.00 0.00 H ATOM 1181 N ARG A 123 12.477 27.262 11.875 1.00 25.02 N ATOM 1182 CA ARG A 123 12.546 25.878 11.409 1.00 23.42 C ATOM 1183 C ARG A 123 11.557 25.007 12.186 1.00 23.77 C ATOM 1184 O ARG A 123 11.452 25.142 13.408 1.00 22.92 O ATOM 1185 CB ARG A 123 13.987 25.366 11.597 1.00 25.38 C ATOM 1186 CG ARG A 123 14.196 23.896 11.302 1.00 37.21 C ATOM 1187 CD ARG A 123 15.392 23.352 12.046 1.00 43.26 C ATOM 1188 NE ARG A 123 16.654 23.615 11.356 1.00 40.94 N ATOM 1189 CZ ARG A 123 17.230 22.782 10.496 1.00 40.28 C ATOM 1190 NH1 ARG A 123 16.647 21.631 10.182 1.00 21.17 N ATOM 1191 NH2 ARG A 123 18.387 23.097 9.934 1.00 24.42 N ATOM 1192 HE ARG A 123 17.134 24.517 11.552 1.00 0.00 H ATOM 1193 HH12 ARG A 123 17.104 20.984 9.508 1.00 0.00 H ATOM 1194 HH11 ARG A 123 15.734 21.377 10.610 1.00 0.00 H ATOM 1195 HH22 ARG A 123 18.834 22.442 9.261 1.00 0.00 H ATOM 1196 HH21 ARG A 123 18.849 24.000 10.165 1.00 0.00 H ATOM 1197 H ARG A 123 13.031 27.497 12.723 1.00 0.00 H ATOM 1198 N THR A 124 10.857 24.098 11.477 1.00 16.97 N ATOM 1199 CA THR A 124 9.874 23.170 12.056 1.00 16.09 C ATOM 1200 C THR A 124 10.279 21.687 11.907 1.00 17.34 C ATOM 1201 O THR A 124 9.684 20.827 12.555 1.00 16.69 O ATOM 1202 CB THR A 124 8.494 23.418 11.463 1.00 23.55 C ATOM 1203 OG1 THR A 124 8.565 23.261 10.043 1.00 21.73 O ATOM 1204 CG2 THR A 124 7.934 24.783 11.843 1.00 22.99 C ATOM 1205 HG1 THR A 124 7.671 23.421 9.649 1.00 0.00 H ATOM 1206 H THR A 124 11.024 24.050 10.452 1.00 0.00 H ATOM 1207 N VAL A 125 11.251 21.393 11.025 1.00 11.70 N ATOM 1208 CA VAL A 125 11.778 20.031 10.845 1.00 10.53 C ATOM 1209 C VAL A 125 13.225 20.062 11.338 1.00 14.85 C ATOM 1210 O VAL A 125 14.061 20.692 10.698 1.00 13.48 O ATOM 1211 CB VAL A 125 11.695 19.510 9.379 1.00 12.29 C ATOM 1212 CG1 VAL A 125 12.144 18.053 9.304 1.00 11.76 C ATOM 1213 CG2 VAL A 125 10.283 19.681 8.798 1.00 12.11 C ATOM 1214 H VAL A 125 11.647 22.161 10.446 1.00 0.00 H ATOM 1215 N ASP A 126 13.520 19.416 12.473 1.00 14.02 N ATOM 1216 CA ASP A 126 14.886 19.429 12.997 1.00 15.09 C ATOM 1217 C ASP A 126 15.813 18.491 12.223 1.00 17.81 C ATOM 1218 O ASP A 126 15.344 17.574 11.542 1.00 15.99 O ATOM 1219 CB ASP A 126 14.953 19.154 14.523 1.00 18.86 C ATOM 1220 CG ASP A 126 13.628 18.984 15.240 1.00 37.29 C ATOM 1221 OD1 ASP A 126 12.864 19.976 15.321 1.00 39.43 O ATOM 1222 OD2 ASP A 126 13.378 17.880 15.767 1.00 43.74 O ATOM 1223 H ASP A 126 12.774 18.902 12.985 1.00 0.00 H ATOM 1224 N THR A 127 17.134 18.729 12.333 1.00 14.37 N ATOM 1225 CA THR A 127 18.174 17.921 11.684 1.00 13.61 C ATOM 1226 C THR A 127 18.020 16.430 12.045 1.00 16.55 C ATOM 1227 O THR A 127 18.099 15.587 11.154 1.00 14.62 O ATOM 1228 CB THR A 127 19.566 18.497 12.012 1.00 21.95 C ATOM 1229 OG1 THR A 127 19.602 19.859 11.576 1.00 20.37 O ATOM 1230 CG2 THR A 127 20.704 17.724 11.338 1.00 21.28 C ATOM 1231 HG1 THR A 127 19.440 19.896 10.600 1.00 0.00 H ATOM 1232 H THR A 127 17.437 19.536 12.915 1.00 0.00 H ATOM 1233 N LYS A 128 17.759 16.121 13.333 1.00 14.17 N ATOM 1234 CA LYS A 128 17.600 14.736 13.801 1.00 14.65 C ATOM 1235 C LYS A 128 16.429 14.005 13.121 1.00 17.20 C ATOM 1236 O LYS A 128 16.601 12.855 12.714 1.00 16.48 O ATOM 1237 CB LYS A 128 17.495 14.678 15.333 1.00 18.04 C ATOM 1238 CG LYS A 128 17.763 13.292 15.904 1.00 31.06 C ATOM 1239 CD LYS A 128 16.642 12.849 16.843 1.00 41.77 C ATOM 1240 CE LYS A 128 16.991 11.630 17.669 1.00 44.62 C ATOM 1241 NZ LYS A 128 17.102 10.397 16.845 1.00 50.52 N ATOM 1242 HZ1 LYS A 128 16.194 10.215 16.372 1.00 0.00 H ATOM 1243 HZ2 LYS A 128 17.847 10.525 16.131 1.00 0.00 H ATOM 1244 HZ3 LYS A 128 17.342 9.592 17.458 1.00 0.00 H ATOM 1245 H LYS A 128 17.667 16.894 14.022 1.00 0.00 H ATOM 1246 N GLN A 129 15.257 14.673 12.979 1.00 13.98 N ATOM 1247 CA GLN A 129 14.073 14.097 12.319 1.00 13.68 C ATOM 1248 C GLN A 129 14.427 13.650 10.902 1.00 15.16 C ATOM 1249 O GLN A 129 14.066 12.549 10.479 1.00 13.53 O ATOM 1250 CB GLN A 129 12.965 15.158 12.192 1.00 15.10 C ATOM 1251 CG GLN A 129 12.055 15.311 13.382 1.00 25.51 C ATOM 1252 CD GLN A 129 10.992 16.323 13.027 1.00 36.79 C ATOM 1253 OE1 GLN A 129 9.976 16.000 12.409 1.00 32.95 O ATOM 1254 NE2 GLN A 129 11.254 17.584 13.318 1.00 21.79 N ATOM 1255 HE22 GLN A 129 12.119 17.828 13.841 1.00 0.00 H ATOM 1256 HE21 GLN A 129 10.595 18.333 13.024 1.00 0.00 H ATOM 1257 H GLN A 129 15.191 15.640 13.355 1.00 0.00 H ATOM 1258 N ALA A 130 15.130 14.524 10.165 1.00 11.38 N ATOM 1259 CA ALA A 130 15.504 14.256 8.783 1.00 10.68 C ATOM 1260 C ALA A 130 16.578 13.187 8.678 1.00 13.94 C ATOM 1261 O ALA A 130 16.494 12.339 7.787 1.00 12.30 O ATOM 1262 CB ALA A 130 15.941 15.536 8.109 1.00 11.25 C ATOM 1263 H ALA A 130 15.418 15.425 10.596 1.00 0.00 H ATOM 1264 N GLN A 131 17.550 13.178 9.620 1.00 11.35 N ATOM 1265 CA GLN A 131 18.606 12.158 9.652 1.00 10.83 C ATOM 1266 C GLN A 131 17.987 10.776 9.901 1.00 13.49 C ATOM 1267 O GLN A 131 18.361 9.808 9.237 1.00 12.12 O ATOM 1268 CB GLN A 131 19.637 12.478 10.744 1.00 12.83 C ATOM 1269 CG GLN A 131 20.598 13.606 10.377 1.00 18.78 C ATOM 1270 CD GLN A 131 21.492 13.997 11.534 1.00 30.46 C ATOM 1271 OE1 GLN A 131 21.183 13.767 12.705 1.00 23.88 O ATOM 1272 NE2 GLN A 131 22.608 14.642 11.230 1.00 27.72 N ATOM 1273 HE22 GLN A 131 22.848 14.825 10.235 1.00 0.00 H ATOM 1274 HE21 GLN A 131 23.244 14.966 11.986 1.00 0.00 H ATOM 1275 H GLN A 131 17.549 13.921 10.348 1.00 0.00 H ATOM 1276 N ASP A 132 17.000 10.703 10.822 1.00 10.95 N ATOM 1277 CA ASP A 132 16.289 9.465 11.141 1.00 11.29 C ATOM 1278 C ASP A 132 15.519 8.961 9.923 1.00 14.51 C ATOM 1279 O ASP A 132 15.569 7.766 9.633 1.00 13.48 O ATOM 1280 CB ASP A 132 15.353 9.654 12.344 1.00 13.54 C ATOM 1281 CG ASP A 132 16.044 9.867 13.683 1.00 20.21 C ATOM 1282 OD1 ASP A 132 17.269 9.614 13.773 1.00 19.18 O ATOM 1283 OD2 ASP A 132 15.356 10.270 14.645 1.00 26.56 O ATOM 1284 H ASP A 132 16.733 11.571 11.329 1.00 0.00 H ATOM 1285 N LEU A 133 14.847 9.874 9.190 1.00 11.51 N ATOM 1286 CA LEU A 133 14.106 9.496 7.984 1.00 10.70 C ATOM 1287 C LEU A 133 15.052 8.978 6.910 1.00 13.70 C ATOM 1288 O LEU A 133 14.814 7.904 6.363 1.00 13.16 O ATOM 1289 CB LEU A 133 13.227 10.635 7.456 1.00 10.31 C ATOM 1290 CG LEU A 133 12.356 10.278 6.251 1.00 14.18 C ATOM 1291 CD1 LEU A 133 11.162 9.389 6.659 1.00 15.24 C ATOM 1292 CD2 LEU A 133 11.910 11.524 5.508 1.00 14.18 C ATOM 1293 H LEU A 133 14.856 10.870 9.489 1.00 0.00 H ATOM 1294 N ALA A 134 16.150 9.702 6.652 1.00 10.38 N ATOM 1295 CA ALA A 134 17.151 9.265 5.673 1.00 9.58 C ATOM 1296 C ALA A 134 17.757 7.892 6.046 1.00 12.56 C ATOM 1297 O ALA A 134 17.959 7.071 5.155 1.00 11.14 O ATOM 1298 CB ALA A 134 18.240 10.315 5.535 1.00 9.65 C ATOM 1299 H ALA A 134 16.296 10.598 7.160 1.00 0.00 H ATOM 1300 N ARG A 135 18.001 7.634 7.357 1.00 9.99 N ATOM 1301 CA ARG A 135 18.515 6.358 7.858 1.00 10.33 C ATOM 1302 C ARG A 135 17.491 5.241 7.583 1.00 15.05 C ATOM 1303 O ARG A 135 17.885 4.138 7.197 1.00 13.45 O ATOM 1304 CB ARG A 135 18.821 6.440 9.359 1.00 12.65 C ATOM 1305 CG ARG A 135 19.733 5.323 9.870 1.00 23.69 C ATOM 1306 CD ARG A 135 20.026 5.446 11.360 1.00 35.34 C ATOM 1307 NE ARG A 135 20.835 6.626 11.682 1.00 45.59 N ATOM 1308 CZ ARG A 135 20.360 7.743 12.229 1.00 59.52 C ATOM 1309 NH1 ARG A 135 19.070 7.848 12.528 1.00 44.51 N ATOM 1310 NH2 ARG A 135 21.169 8.763 12.477 1.00 48.33 N ATOM 1311 HE ARG A 135 21.852 6.588 11.468 1.00 0.00 H ATOM 1312 HH12 ARG A 135 18.705 8.723 12.955 1.00 0.00 H ATOM 1313 HH11 ARG A 135 18.425 7.055 12.335 1.00 0.00 H ATOM 1314 HH22 ARG A 135 20.793 9.633 12.904 1.00 0.00 H ATOM 1315 HH21 ARG A 135 22.180 8.693 12.244 1.00 0.00 H ATOM 1316 H ARG A 135 17.811 8.389 8.047 1.00 0.00 H ATOM 1317 N SER A 136 16.179 5.536 7.759 1.00 12.34 N ATOM 1318 CA SER A 136 15.119 4.559 7.487 1.00 12.78 C ATOM 1319 C SER A 136 15.050 4.222 5.989 1.00 16.84 C ATOM 1320 O SER A 136 14.657 3.118 5.637 1.00 17.76 O ATOM 1321 CB SER A 136 13.771 5.047 8.010 1.00 16.25 C ATOM 1322 OG SER A 136 13.158 5.990 7.147 1.00 23.30 O ATOM 1323 HG SER A 136 13.749 6.778 7.048 1.00 0.00 H ATOM 1324 H SER A 136 15.916 6.484 8.097 1.00 0.00 H ATOM 1325 N TYR A 137 15.483 5.147 5.115 1.00 11.84 N ATOM 1326 CA TYR A 137 15.499 4.912 3.673 1.00 11.48 C ATOM 1327 C TYR A 137 16.831 4.311 3.207 1.00 16.08 C ATOM 1328 O TYR A 137 16.907 3.775 2.097 1.00 16.72 O ATOM 1329 CB TYR A 137 15.264 6.232 2.909 1.00 12.13 C ATOM 1330 CG TYR A 137 13.916 6.904 3.081 1.00 13.86 C ATOM 1331 CD1 TYR A 137 12.789 6.175 3.461 1.00 16.39 C ATOM 1332 CD2 TYR A 137 13.742 8.246 2.756 1.00 13.79 C ATOM 1333 CE1 TYR A 137 11.537 6.783 3.579 1.00 16.24 C ATOM 1334 CE2 TYR A 137 12.495 8.861 2.856 1.00 14.00 C ATOM 1335 CZ TYR A 137 11.394 8.125 3.259 1.00 18.88 C ATOM 1336 OH TYR A 137 10.169 8.732 3.350 1.00 19.07 O ATOM 1337 HH TYR A 137 9.496 8.071 3.649 1.00 0.00 H ATOM 1338 H TYR A 137 15.818 6.062 5.478 1.00 0.00 H ATOM 1339 N GLY A 138 17.873 4.474 4.018 1.00 12.15 N ATOM 1340 CA GLY A 138 19.236 4.057 3.697 1.00 11.65 C ATOM 1341 C GLY A 138 19.851 4.954 2.635 1.00 14.43 C ATOM 1342 O GLY A 138 20.594 4.483 1.767 1.00 14.28 O ATOM 1343 H GLY A 138 17.707 4.927 4.939 1.00 0.00 H ATOM 1344 N ILE A 139 19.510 6.258 2.672 1.00 9.53 N ATOM 1345 CA ILE A 139 19.997 7.248 1.706 1.00 7.86 C ATOM 1346 C ILE A 139 20.668 8.434 2.418 1.00 10.88 C ATOM 1347 O ILE A 139 20.392 8.651 3.597 1.00 10.84 O ATOM 1348 CB ILE A 139 18.877 7.713 0.722 1.00 10.09 C ATOM 1349 CG1 ILE A 139 17.783 8.569 1.439 1.00 10.13 C ATOM 1350 CG2 ILE A 139 18.285 6.514 -0.054 1.00 10.50 C ATOM 1351 CD1 ILE A 139 16.674 9.196 0.520 1.00 11.09 C ATOM 1352 H ILE A 139 18.868 6.578 3.425 1.00 0.00 H ATOM 1353 N PRO A 140 21.512 9.226 1.718 1.00 7.67 N ATOM 1354 CA PRO A 140 22.131 10.394 2.372 1.00 7.78 C ATOM 1355 C PRO A 140 21.127 11.519 2.609 1.00 10.42 C ATOM 1356 O PRO A 140 20.125 11.618 1.899 1.00 8.30 O ATOM 1357 CB PRO A 140 23.196 10.841 1.353 1.00 9.52 C ATOM 1358 CG PRO A 140 23.374 9.659 0.412 1.00 13.49 C ATOM 1359 CD PRO A 140 21.981 9.105 0.324 1.00 9.09 C ATOM 1360 N PHE A 141 21.390 12.343 3.639 1.00 7.35 N ATOM 1361 CA PHE A 141 20.627 13.545 3.967 1.00 5.64 C ATOM 1362 C PHE A 141 21.582 14.725 3.931 1.00 10.06 C ATOM 1363 O PHE A 141 22.633 14.693 4.582 1.00 9.89 O ATOM 1364 CB PHE A 141 19.954 13.467 5.356 1.00 7.22 C ATOM 1365 CG PHE A 141 19.412 14.799 5.824 1.00 8.52 C ATOM 1366 CD1 PHE A 141 18.443 15.477 5.084 1.00 9.58 C ATOM 1367 CD2 PHE A 141 19.899 15.399 6.983 1.00 11.19 C ATOM 1368 CE1 PHE A 141 17.984 16.739 5.484 1.00 10.08 C ATOM 1369 CE2 PHE A 141 19.411 16.645 7.402 1.00 13.27 C ATOM 1370 CZ PHE A 141 18.461 17.308 6.648 1.00 10.62 C ATOM 1371 H PHE A 141 22.199 12.106 4.249 1.00 0.00 H ATOM 1372 N ILE A 142 21.212 15.770 3.190 1.00 7.56 N ATOM 1373 CA ILE A 142 22.012 16.993 3.071 1.00 6.94 C ATOM 1374 C ILE A 142 21.137 18.226 3.287 1.00 10.16 C ATOM 1375 O ILE A 142 20.090 18.361 2.650 1.00 8.98 O ATOM 1376 CB ILE A 142 22.795 17.043 1.723 1.00 9.35 C ATOM 1377 CG1 ILE A 142 23.804 15.864 1.639 1.00 10.15 C ATOM 1378 CG2 ILE A 142 23.529 18.402 1.538 1.00 9.20 C ATOM 1379 CD1 ILE A 142 24.050 15.351 0.339 1.00 19.02 C ATOM 1380 H ILE A 142 20.312 15.715 2.671 1.00 0.00 H ATOM 1381 N GLU A 143 21.581 19.126 4.182 1.00 7.81 N ATOM 1382 CA GLU A 143 20.908 20.394 4.450 1.00 7.16 C ATOM 1383 C GLU A 143 21.417 21.394 3.413 1.00 9.81 C ATOM 1384 O GLU A 143 22.622 21.448 3.152 1.00 9.14 O ATOM 1385 CB GLU A 143 21.233 20.870 5.877 1.00 9.27 C ATOM 1386 CG GLU A 143 20.440 20.084 6.899 1.00 17.04 C ATOM 1387 CD GLU A 143 20.404 20.611 8.316 1.00 41.75 C ATOM 1388 OE1 GLU A 143 21.468 21.032 8.824 1.00 31.19 O ATOM 1389 OE2 GLU A 143 19.323 20.526 8.943 1.00 34.78 O ATOM 1390 H GLU A 143 22.449 18.908 4.711 1.00 0.00 H ATOM 1391 N THR A 144 20.503 22.142 2.778 1.00 6.60 N ATOM 1392 CA THR A 144 20.886 23.108 1.754 1.00 5.28 C ATOM 1393 C THR A 144 20.210 24.463 1.912 1.00 9.38 C ATOM 1394 O THR A 144 19.193 24.598 2.590 1.00 8.47 O ATOM 1395 CB THR A 144 20.551 22.593 0.331 1.00 8.55 C ATOM 1396 OG1 THR A 144 19.127 22.499 0.152 1.00 8.12 O ATOM 1397 CG2 THR A 144 21.264 21.285 -0.037 1.00 5.37 C ATOM 1398 HG1 THR A 144 18.720 23.393 0.275 1.00 0.00 H ATOM 1399 H THR A 144 19.498 22.031 3.021 1.00 0.00 H ATOM 1400 N SER A 145 20.783 25.459 1.251 1.00 6.36 N ATOM 1401 CA SER A 145 20.185 26.762 1.090 1.00 6.18 C ATOM 1402 C SER A 145 20.469 27.225 -0.324 1.00 8.41 C ATOM 1403 O SER A 145 21.627 27.432 -0.684 1.00 7.83 O ATOM 1404 CB SER A 145 20.694 27.772 2.108 1.00 8.86 C ATOM 1405 OG SER A 145 20.241 29.059 1.713 1.00 8.03 O ATOM 1406 HG SER A 145 19.251 29.066 1.689 1.00 0.00 H ATOM 1407 H SER A 145 21.717 25.292 0.824 1.00 0.00 H ATOM 1408 N ALA A 146 19.414 27.385 -1.137 1.00 6.07 N ATOM 1409 CA ALA A 146 19.563 27.933 -2.485 1.00 5.59 C ATOM 1410 C ALA A 146 19.987 29.413 -2.388 1.00 9.80 C ATOM 1411 O ALA A 146 20.518 29.973 -3.348 1.00 9.37 O ATOM 1412 CB ALA A 146 18.244 27.832 -3.234 1.00 6.15 C ATOM 1413 H ALA A 146 18.468 27.113 -0.801 1.00 0.00 H ATOM 1414 N LYS A 147 19.742 30.047 -1.224 1.00 6.19 N ATOM 1415 CA LYS A 147 20.088 31.444 -1.016 1.00 5.85 C ATOM 1416 C LYS A 147 21.598 31.641 -0.821 1.00 10.05 C ATOM 1417 O LYS A 147 22.210 32.439 -1.537 1.00 10.39 O ATOM 1418 CB LYS A 147 19.288 32.019 0.170 1.00 7.57 C ATOM 1419 CG LYS A 147 19.472 33.512 0.396 1.00 10.64 C ATOM 1420 CD LYS A 147 18.459 33.994 1.410 1.00 13.76 C ATOM 1421 CE LYS A 147 18.504 35.488 1.595 1.00 22.71 C ATOM 1422 NZ LYS A 147 17.644 35.908 2.730 1.00 27.73 N ATOM 1423 HZ1 LYS A 147 16.661 35.623 2.543 1.00 0.00 H ATOM 1424 HZ2 LYS A 147 17.978 35.452 3.603 1.00 0.00 H ATOM 1425 HZ3 LYS A 147 17.693 36.941 2.836 1.00 0.00 H ATOM 1426 H LYS A 147 19.291 29.520 -0.449 1.00 0.00 H ATOM 1427 N THR A 148 22.177 30.945 0.164 1.00 6.43 N ATOM 1428 CA THR A 148 23.585 31.088 0.547 1.00 6.29 C ATOM 1429 C THR A 148 24.526 30.114 -0.156 1.00 9.82 C ATOM 1430 O THR A 148 25.740 30.242 -0.009 1.00 8.54 O ATOM 1431 CB THR A 148 23.739 30.836 2.063 1.00 10.36 C ATOM 1432 OG1 THR A 148 23.488 29.445 2.299 1.00 10.37 O ATOM 1433 CG2 THR A 148 22.846 31.739 2.941 1.00 10.00 C ATOM 1434 HG1 THR A 148 23.580 29.254 3.266 1.00 0.00 H ATOM 1435 H THR A 148 21.594 30.262 0.689 1.00 0.00 H ATOM 1436 N ARG A 149 23.969 29.095 -0.828 1.00 7.70 N ATOM 1437 CA ARG A 149 24.668 27.996 -1.511 1.00 7.78 C ATOM 1438 C ARG A 149 25.139 26.903 -0.520 1.00 10.30 C ATOM 1439 O ARG A 149 25.750 25.915 -0.949 1.00 8.76 O ATOM 1440 CB ARG A 149 25.800 28.468 -2.451 1.00 8.04 C ATOM 1441 CG ARG A 149 26.022 27.513 -3.613 1.00 12.55 C ATOM 1442 CD ARG A 149 27.301 27.795 -4.362 1.00 16.35 C ATOM 1443 NE ARG A 149 27.536 26.776 -5.390 1.00 12.60 N ATOM 1444 CZ ARG A 149 27.135 26.879 -6.651 1.00 16.03 C ATOM 1445 NH1 ARG A 149 26.479 27.956 -7.060 1.00 15.09 N ATOM 1446 NH2 ARG A 149 27.391 25.911 -7.513 1.00 11.51 N ATOM 1447 HE ARG A 149 28.051 25.916 -5.113 1.00 0.00 H ATOM 1448 HH12 ARG A 149 26.167 28.031 -8.049 1.00 0.00 H ATOM 1449 HH11 ARG A 149 26.276 28.726 -6.391 1.00 0.00 H ATOM 1450 HH22 ARG A 149 27.075 25.997 -8.500 1.00 0.00 H ATOM 1451 HH21 ARG A 149 27.909 25.064 -7.205 1.00 0.00 H ATOM 1452 H ARG A 149 22.930 29.081 -0.871 1.00 0.00 H ATOM 1453 N GLN A 150 24.812 27.041 0.791 1.00 7.37 N ATOM 1454 CA GLN A 150 25.122 26.000 1.783 1.00 6.64 C ATOM 1455 C GLN A 150 24.657 24.632 1.266 1.00 10.13 C ATOM 1456 O GLN A 150 23.511 24.510 0.831 1.00 8.66 O ATOM 1457 CB GLN A 150 24.395 26.289 3.117 1.00 7.36 C ATOM 1458 CG GLN A 150 24.614 25.184 4.173 1.00 7.31 C ATOM 1459 CD GLN A 150 24.095 25.543 5.534 1.00 21.20 C ATOM 1460 OE1 GLN A 150 23.548 26.629 5.756 1.00 16.42 O ATOM 1461 NE2 GLN A 150 24.214 24.613 6.473 1.00 19.11 N ATOM 1462 HE22 GLN A 150 24.680 23.709 6.254 1.00 0.00 H ATOM 1463 HE21 GLN A 150 23.841 24.788 7.428 1.00 0.00 H ATOM 1464 H GLN A 150 24.329 27.908 1.102 1.00 0.00 H ATOM 1465 N GLY A 151 25.567 23.649 1.258 1.00 6.72 N ATOM 1466 CA GLY A 151 25.291 22.269 0.859 1.00 6.05 C ATOM 1467 C GLY A 151 24.846 21.963 -0.565 1.00 8.57 C ATOM 1468 O GLY A 151 24.658 20.787 -0.895 1.00 7.15 O ATOM 1469 H GLY A 151 26.536 23.883 1.556 1.00 0.00 H ATOM 1470 N VAL A 152 24.641 22.992 -1.419 1.00 6.03 N ATOM 1471 CA VAL A 152 24.124 22.819 -2.793 1.00 5.47 C ATOM 1472 C VAL A 152 24.995 21.883 -3.638 1.00 9.45 C ATOM 1473 O VAL A 152 24.476 20.897 -4.168 1.00 8.24 O ATOM 1474 CB VAL A 152 23.862 24.181 -3.495 1.00 8.37 C ATOM 1475 CG1 VAL A 152 23.511 24.003 -4.977 1.00 7.53 C ATOM 1476 CG2 VAL A 152 22.764 24.953 -2.769 1.00 7.42 C ATOM 1477 H VAL A 152 24.858 23.955 -1.092 1.00 0.00 H ATOM 1478 N ASP A 153 26.297 22.194 -3.782 1.00 7.38 N ATOM 1479 CA ASP A 153 27.215 21.351 -4.558 1.00 6.69 C ATOM 1480 C ASP A 153 27.249 19.943 -3.963 1.00 8.77 C ATOM 1481 O ASP A 153 27.141 18.981 -4.709 1.00 8.59 O ATOM 1482 CB ASP A 153 28.624 21.962 -4.595 1.00 8.74 C ATOM 1483 CG ASP A 153 28.650 23.339 -5.216 1.00 14.62 C ATOM 1484 OD1 ASP A 153 28.446 23.439 -6.435 1.00 13.65 O ATOM 1485 OD2 ASP A 153 28.815 24.319 -4.470 1.00 20.63 O ATOM 1486 H ASP A 153 26.663 23.056 -3.330 1.00 0.00 H ATOM 1487 N ASP A 154 27.335 19.831 -2.618 1.00 6.78 N ATOM 1488 CA ASP A 154 27.332 18.530 -1.933 1.00 6.30 C ATOM 1489 C ASP A 154 26.067 17.701 -2.254 1.00 9.46 C ATOM 1490 O ASP A 154 26.183 16.501 -2.499 1.00 9.08 O ATOM 1491 CB ASP A 154 27.464 18.720 -0.416 1.00 7.99 C ATOM 1492 CG ASP A 154 27.699 17.439 0.364 1.00 14.15 C ATOM 1493 OD1 ASP A 154 28.221 16.467 -0.226 1.00 15.72 O ATOM 1494 OD2 ASP A 154 27.397 17.420 1.566 1.00 15.17 O ATOM 1495 H ASP A 154 27.406 20.697 -2.047 1.00 0.00 H ATOM 1496 N ALA A 155 24.878 18.323 -2.268 1.00 6.26 N ATOM 1497 CA ALA A 155 23.643 17.581 -2.584 1.00 5.82 C ATOM 1498 C ALA A 155 23.701 16.978 -3.992 1.00 8.78 C ATOM 1499 O ALA A 155 23.491 15.764 -4.151 1.00 7.29 O ATOM 1500 CB ALA A 155 22.421 18.485 -2.437 1.00 6.30 C ATOM 1501 H ALA A 155 24.827 19.339 -2.054 1.00 0.00 H ATOM 1502 N PHE A 156 24.043 17.803 -5.008 1.00 6.13 N ATOM 1503 CA PHE A 156 24.114 17.303 -6.378 1.00 5.39 C ATOM 1504 C PHE A 156 25.248 16.310 -6.584 1.00 8.11 C ATOM 1505 O PHE A 156 25.015 15.263 -7.205 1.00 6.97 O ATOM 1506 CB PHE A 156 24.183 18.448 -7.392 1.00 6.44 C ATOM 1507 CG PHE A 156 22.850 19.140 -7.577 1.00 6.40 C ATOM 1508 CD1 PHE A 156 21.934 18.684 -8.521 1.00 8.54 C ATOM 1509 CD2 PHE A 156 22.511 20.248 -6.806 1.00 7.33 C ATOM 1510 CE1 PHE A 156 20.711 19.342 -8.712 1.00 8.13 C ATOM 1511 CE2 PHE A 156 21.277 20.895 -6.980 1.00 8.48 C ATOM 1512 CZ PHE A 156 20.384 20.438 -7.929 1.00 7.01 C ATOM 1513 H PHE A 156 24.257 18.802 -4.812 1.00 0.00 H ATOM 1514 N TYR A 157 26.458 16.596 -6.036 1.00 6.57 N ATOM 1515 CA TYR A 157 27.594 15.671 -6.210 1.00 7.84 C ATOM 1516 C TYR A 157 27.340 14.338 -5.518 1.00 8.45 C ATOM 1517 O TYR A 157 27.707 13.304 -6.066 1.00 8.04 O ATOM 1518 CB TYR A 157 28.920 16.244 -5.693 1.00 11.35 C ATOM 1519 CG TYR A 157 29.521 17.421 -6.436 1.00 15.78 C ATOM 1520 CD1 TYR A 157 28.756 18.192 -7.308 1.00 17.14 C ATOM 1521 CD2 TYR A 157 30.841 17.802 -6.216 1.00 18.26 C ATOM 1522 CE1 TYR A 157 29.283 19.329 -7.920 1.00 18.63 C ATOM 1523 CE2 TYR A 157 31.387 18.914 -6.848 1.00 19.94 C ATOM 1524 CZ TYR A 157 30.602 19.678 -7.693 1.00 25.60 C ATOM 1525 OH TYR A 157 31.147 20.782 -8.294 1.00 27.41 O ATOM 1526 HH TYR A 157 30.464 21.218 -8.863 1.00 0.00 H ATOM 1527 H TYR A 157 26.584 17.472 -5.491 1.00 0.00 H ATOM 1528 N THR A 158 26.727 14.357 -4.313 1.00 6.45 N ATOM 1529 CA THR A 158 26.405 13.123 -3.587 1.00 6.51 C ATOM 1530 C THR A 158 25.463 12.267 -4.434 1.00 9.84 C ATOM 1531 O THR A 158 25.670 11.055 -4.517 1.00 9.61 O ATOM 1532 CB THR A 158 25.849 13.431 -2.187 1.00 11.25 C ATOM 1533 OG1 THR A 158 26.876 14.080 -1.424 1.00 8.96 O ATOM 1534 CG2 THR A 158 25.391 12.178 -1.437 1.00 7.15 C ATOM 1535 HG1 THR A 158 27.661 13.481 -1.353 1.00 0.00 H ATOM 1536 H THR A 158 26.476 15.273 -3.888 1.00 0.00 H ATOM 1537 N LEU A 159 24.450 12.893 -5.073 1.00 5.49 N ATOM 1538 CA LEU A 159 23.507 12.159 -5.928 1.00 5.01 C ATOM 1539 C LEU A 159 24.235 11.481 -7.085 1.00 8.67 C ATOM 1540 O LEU A 159 23.990 10.306 -7.348 1.00 7.50 O ATOM 1541 CB LEU A 159 22.353 13.050 -6.439 1.00 4.89 C ATOM 1542 CG LEU A 159 21.279 12.307 -7.264 1.00 8.53 C ATOM 1543 CD1 LEU A 159 20.630 11.151 -6.467 1.00 8.90 C ATOM 1544 CD2 LEU A 159 20.212 13.260 -7.774 1.00 8.99 C ATOM 1545 H LEU A 159 24.335 13.920 -4.957 1.00 0.00 H ATOM 1546 N VAL A 160 25.184 12.194 -7.731 1.00 5.86 N ATOM 1547 CA VAL A 160 25.979 11.611 -8.818 1.00 5.93 C ATOM 1548 C VAL A 160 26.732 10.374 -8.289 1.00 8.74 C ATOM 1549 O VAL A 160 26.691 9.318 -8.923 1.00 7.82 O ATOM 1550 CB VAL A 160 26.938 12.652 -9.450 1.00 9.40 C ATOM 1551 CG1 VAL A 160 27.880 11.995 -10.465 1.00 9.23 C ATOM 1552 CG2 VAL A 160 26.149 13.783 -10.099 1.00 8.69 C ATOM 1553 H VAL A 160 25.355 13.181 -7.451 1.00 0.00 H ATOM 1554 N ARG A 161 27.367 10.493 -7.105 1.00 6.68 N ATOM 1555 CA ARG A 161 28.104 9.381 -6.492 1.00 6.58 C ATOM 1556 C ARG A 161 27.182 8.181 -6.200 1.00 10.41 C ATOM 1557 O ARG A 161 27.592 7.027 -6.407 1.00 9.61 O ATOM 1558 CB ARG A 161 28.847 9.837 -5.234 1.00 8.88 C ATOM 1559 CG ARG A 161 29.965 10.820 -5.545 1.00 11.42 C ATOM 1560 CD ARG A 161 30.675 11.290 -4.290 1.00 15.05 C ATOM 1561 NE ARG A 161 31.777 12.189 -4.631 1.00 15.42 N ATOM 1562 CZ ARG A 161 31.890 13.444 -4.208 1.00 27.45 C ATOM 1563 NH1 ARG A 161 32.924 14.186 -4.585 1.00 18.83 N ATOM 1564 NH2 ARG A 161 30.988 13.957 -3.383 1.00 16.11 N ATOM 1565 HE ARG A 161 32.527 11.819 -5.250 1.00 0.00 H ATOM 1566 HH12 ARG A 161 33.009 15.168 -4.252 1.00 0.00 H ATOM 1567 HH11 ARG A 161 33.649 13.786 -5.214 1.00 0.00 H ATOM 1568 HH22 ARG A 161 31.082 14.940 -3.056 1.00 0.00 H ATOM 1569 HH21 ARG A 161 30.186 13.377 -3.063 1.00 0.00 H ATOM 1570 H ARG A 161 27.333 11.406 -6.608 1.00 0.00 H ATOM 1571 N GLU A 162 25.932 8.456 -5.768 1.00 7.18 N ATOM 1572 CA GLU A 162 24.938 7.400 -5.511 1.00 6.63 C ATOM 1573 C GLU A 162 24.577 6.668 -6.809 1.00 10.79 C ATOM 1574 O GLU A 162 24.422 5.442 -6.786 1.00 10.96 O ATOM 1575 CB GLU A 162 23.676 7.963 -4.832 1.00 6.93 C ATOM 1576 CG GLU A 162 23.896 8.407 -3.387 1.00 12.16 C ATOM 1577 CD GLU A 162 24.245 7.290 -2.419 1.00 24.15 C ATOM 1578 OE1 GLU A 162 23.380 6.416 -2.196 1.00 14.09 O ATOM 1579 OE2 GLU A 162 25.394 7.260 -1.920 1.00 15.88 O ATOM 1580 H GLU A 162 25.662 9.448 -5.611 1.00 0.00 H ATOM 1581 N ILE A 163 24.462 7.412 -7.942 1.00 8.09 N ATOM 1582 CA ILE A 163 24.152 6.813 -9.255 1.00 7.33 C ATOM 1583 C ILE A 163 25.318 5.928 -9.680 1.00 13.04 C ATOM 1584 O ILE A 163 25.107 4.783 -10.080 1.00 12.45 O ATOM 1585 CB ILE A 163 23.806 7.853 -10.358 1.00 8.97 C ATOM 1586 CG1 ILE A 163 22.551 8.655 -9.991 1.00 8.55 C ATOM 1587 CG2 ILE A 163 23.641 7.181 -11.752 1.00 8.25 C ATOM 1588 CD1 ILE A 163 22.369 9.896 -10.870 1.00 9.58 C ATOM 1589 H ILE A 163 24.598 8.441 -7.881 1.00 0.00 H ATOM 1590 N ARG A 164 26.547 6.470 -9.576 1.00 11.80 N ATOM 1591 CA ARG A 164 27.784 5.780 -9.933 1.00 12.57 C ATOM 1592 C ARG A 164 27.863 4.429 -9.204 1.00 17.71 C ATOM 1593 O ARG A 164 28.044 3.390 -9.854 1.00 18.37 O ATOM 1594 CB ARG A 164 28.994 6.695 -9.632 1.00 13.14 C ATOM 1595 CG ARG A 164 30.306 6.272 -10.287 1.00 25.19 C ATOM 1596 CD ARG A 164 31.473 7.114 -9.780 1.00 32.03 C ATOM 1597 NE ARG A 164 31.589 8.416 -10.452 1.00 37.70 N ATOM 1598 CZ ARG A 164 31.913 9.557 -9.842 1.00 44.74 C ATOM 1599 NH1 ARG A 164 32.123 9.582 -8.530 1.00 24.19 N ATOM 1600 NH2 ARG A 164 32.022 10.681 -10.539 1.00 23.79 N ATOM 1601 HE ARG A 164 31.406 8.450 -11.475 1.00 0.00 H ATOM 1602 HH12 ARG A 164 32.375 10.475 -8.061 1.00 0.00 H ATOM 1603 HH11 ARG A 164 32.035 8.708 -7.973 1.00 0.00 H ATOM 1604 HH22 ARG A 164 32.275 11.568 -10.059 1.00 0.00 H ATOM 1605 HH21 ARG A 164 31.855 10.675 -11.565 1.00 0.00 H ATOM 1606 H ARG A 164 26.620 7.444 -9.218 1.00 0.00 H ATOM 1607 N LYS A 165 27.619 4.436 -7.878 1.00 14.62 N ATOM 1608 CA LYS A 165 27.622 3.232 -7.044 1.00 15.03 C ATOM 1609 C LYS A 165 26.558 2.229 -7.455 1.00 17.92 C ATOM 1610 O LYS A 165 26.833 1.033 -7.465 1.00 17.34 O ATOM 1611 CB LYS A 165 27.475 3.579 -5.552 1.00 18.54 C ATOM 1612 CG LYS A 165 28.726 4.184 -4.904 1.00 36.29 C ATOM 1613 CD LYS A 165 29.944 3.225 -4.724 1.00 48.52 C ATOM 1614 CE LYS A 165 30.822 2.974 -5.947 1.00 56.68 C ATOM 1615 NZ LYS A 165 31.242 4.224 -6.644 1.00 59.55 N ATOM 1616 HZ1 LYS A 165 30.398 4.740 -6.966 1.00 0.00 H ATOM 1617 HZ2 LYS A 165 31.785 4.820 -5.987 1.00 0.00 H ATOM 1618 HZ3 LYS A 165 31.835 3.980 -7.463 1.00 0.00 H ATOM 1619 H LYS A 165 27.417 5.348 -7.421 1.00 0.00 H ATOM 1620 N HIS A 166 25.348 2.716 -7.793 1.00 13.51 N ATOM 1621 CA HIS A 166 24.228 1.867 -8.208 1.00 14.09 C ATOM 1622 C HIS A 166 24.536 1.152 -9.515 1.00 18.98 C ATOM 1623 O HIS A 166 24.195 -0.021 -9.664 1.00 19.86 O ATOM 1624 CB HIS A 166 22.941 2.689 -8.325 1.00 14.61 C ATOM 1625 CG HIS A 166 21.723 1.865 -8.597 1.00 18.95 C ATOM 1626 ND1 HIS A 166 21.239 1.696 -9.883 1.00 21.33 N ATOM 1627 CD2 HIS A 166 20.917 1.205 -7.734 1.00 21.34 C ATOM 1628 CE1 HIS A 166 20.166 0.930 -9.763 1.00 21.22 C ATOM 1629 NE2 HIS A 166 19.930 0.613 -8.490 1.00 21.61 N ATOM 1630 H HIS A 166 25.202 3.745 -7.758 1.00 0.00 H ATOM 1631 N LYS A 167 25.227 1.838 -10.436 1.00 16.54 N ATOM 1632 CA LYS A 167 25.631 1.277 -11.727 1.00 18.16 C ATOM 1633 C LYS A 167 26.644 0.116 -11.594 1.00 26.04 C ATOM 1634 O LYS A 167 26.951 -0.541 -12.588 1.00 26.86 O ATOM 1635 CB LYS A 167 26.135 2.382 -12.663 1.00 20.02 C ATOM 1636 CG LYS A 167 25.013 3.272 -13.186 1.00 22.10 C ATOM 1637 CD LYS A 167 25.348 3.849 -14.548 1.00 31.12 C ATOM 1638 CE LYS A 167 25.874 5.245 -14.447 1.00 27.49 C ATOM 1639 NZ LYS A 167 26.604 5.658 -15.678 1.00 17.61 N ATOM 1640 HZ1 LYS A 167 27.409 5.018 -15.833 1.00 0.00 H ATOM 1641 HZ2 LYS A 167 25.960 5.612 -16.493 1.00 0.00 H ATOM 1642 HZ3 LYS A 167 26.951 6.632 -15.564 1.00 0.00 H ATOM 1643 H LYS A 167 25.490 2.821 -10.222 1.00 0.00 H ATOM 1644 N GLU A 168 27.109 -0.164 -10.356 1.00 24.64 N ATOM 1645 CA GLU A 168 28.016 -1.264 -10.007 1.00 51.53 C ATOM 1646 C GLU A 168 27.675 -1.885 -8.645 1.00 78.35 C ATOM 1647 O GLU A 168 26.533 -2.272 -8.402 1.00 41.85 O ATOM 1648 CB GLU A 168 29.489 -0.825 -10.063 1.00 53.08 C ATOM 1649 CG GLU A 168 29.807 0.454 -9.300 1.00 61.52 C ATOM 1650 CD GLU A 168 30.789 1.394 -9.975 1.00 76.92 C ATOM 1651 OE1 GLU A 168 31.476 2.147 -9.248 1.00 62.36 O ATOM 1652 OE2 GLU A 168 30.858 1.398 -11.226 1.00 70.71 O ATOM 1653 H GLU A 168 26.796 0.455 -9.581 1.00 0.00 H TER 1654 GLU A 168 HETATM 1655 MG MG A 1 9.964 25.373 -9.559 1.00 7.44 MG HETATM 1656 O HOH 2 -7.304 21.137 -12.138 1.00 17.82 O HETATM 1657 O HOH 3 21.404 13.359 -20.471 1.00 38.27 O HETATM 1658 O HOH 4 2.605 19.968 -0.092 1.00 11.14 O HETATM 1659 O HOH 5 13.047 26.174 -13.778 1.00 11.92 O HETATM 1660 O HOH 6 24.728 7.627 -16.351 1.00 11.82 O HETATM 1661 O HOH 7 26.616 31.646 -5.901 1.00 20.44 O HETATM 1662 O HOH 8 4.040 17.933 -5.152 1.00 13.84 O HETATM 1663 O HOH 9 18.065 34.050 4.958 1.00 17.59 O HETATM 1664 O HOH 10 27.159 19.684 2.965 1.00 16.03 O HETATM 1665 O HOH 11 20.337 3.088 7.002 1.00 14.53 O HETATM 1666 O HOH 12 5.993 23.344 9.306 1.00 15.97 O HETATM 1667 O HOH 13 23.408 28.175 7.938 1.00 32.06 O HETATM 1668 O HOH 14 20.767 6.714 -2.715 1.00 8.75 O HETATM 1669 O HOH 15 6.818 13.471 -18.232 1.00 17.83 O HETATM 1670 O HOH 16 8.492 7.301 4.883 1.00 26.38 O HETATM 1671 O HOH 17 24.896 34.095 -13.642 1.00 37.19 O HETATM 1672 O HOH 18 27.776 24.449 -1.995 1.00 15.33 O HETATM 1673 O HOH 19 29.162 22.501 -8.871 1.00 25.71 O HETATM 1674 O HOH 20 24.968 20.667 4.209 1.00 11.58 O HETATM 1675 O HOH 21 17.627 -1.363 -8.522 1.00 14.55 O HETATM 1676 O HOH 22 21.932 23.678 8.961 1.00 33.00 O HETATM 1677 O HOH 23 22.538 28.987 4.774 1.00 10.08 O HETATM 1678 O HOH 24 4.684 23.588 -10.106 1.00 7.96 O HETATM 1679 O HOH 25 10.867 24.743 -20.551 1.00 34.30 O HETATM 1680 O HOH 26 15.646 9.939 -22.900 1.00 16.41 O HETATM 1681 O HOH 27 27.396 26.298 -14.199 1.00 19.44 O HETATM 1682 O HOH 28 1.873 14.073 2.727 1.00 21.75 O HETATM 1683 O HOH 29 19.293 19.399 -19.771 1.00 15.52 O HETATM 1684 O HOH 30 10.839 30.718 -8.460 1.00 8.65 O HETATM 1685 O HOH 31 0.960 14.438 5.225 1.00 25.46 O HETATM 1686 O HOH 32 0.224 23.735 -5.103 1.00 10.30 O HETATM 1687 O HOH 33 2.155 27.570 -6.857 1.00 15.73 O HETATM 1688 O HOH 34 6.828 1.942 -3.890 1.00 18.84 O HETATM 1689 O HOH 35 6.156 16.454 -10.523 1.00 10.94 O HETATM 1690 O HOH 36 14.415 0.700 -13.561 1.00 21.59 O HETATM 1691 O HOH 37 17.458 7.571 -19.117 1.00 16.70 O HETATM 1692 O HOH 38 12.508 22.525 14.469 1.00 33.91 O HETATM 1693 O HOH 39 27.233 15.246 3.180 1.00 26.72 O HETATM 1694 O HOH 40 3.279 17.491 -9.837 1.00 25.27 O HETATM 1695 O HOH 41 26.524 32.842 0.085 1.00 11.04 O HETATM 1696 O HOH 42 18.738 4.606 -11.570 1.00 11.64 O HETATM 1697 O HOH 43 30.658 24.006 -14.151 1.00 31.43 O HETATM 1698 O HOH 44 28.156 26.885 -10.562 1.00 27.90 O HETATM 1699 O HOH 45 32.391 21.221 -22.890 1.00 28.22 O HETATM 1700 O HOH 46 16.583 4.355 -2.619 1.00 20.67 O HETATM 1701 O HOH 47 32.417 6.702 -13.355 1.00 35.10 O HETATM 1702 O HOH 48 5.152 16.823 -13.005 1.00 13.45 O HETATM 1703 O HOH 49 28.488 -0.162 -5.660 1.00 32.01 O HETATM 1704 O HOH 50 10.455 5.703 6.948 1.00 31.58 O HETATM 1705 O HOH 51 3.574 17.075 -2.626 1.00 30.14 O HETATM 1706 O HOH 52 29.205 14.376 1.220 1.00 29.59 O HETATM 1707 O HOH 53 15.719 5.725 11.434 1.00 19.99 O HETATM 1708 O HOH 54 7.165 18.408 -14.140 1.00 10.05 O HETATM 1709 O HOH 55 6.905 -1.842 -9.399 1.00 35.67 O HETATM 1710 O HOH 56 30.216 6.687 -5.743 1.00 29.32 O HETATM 1711 O HOH 57 12.629 34.322 -1.224 1.00 14.54 O HETATM 1712 O HOH 58 9.421 -5.422 -1.151 1.00 17.10 O HETATM 1713 O HOH 59 9.043 30.814 14.754 1.00 44.49 O HETATM 1714 O HOH 60 31.031 25.663 -5.329 1.00 20.23 O HETATM 1715 O HOH 61 22.871 4.717 -0.120 1.00 32.10 O HETATM 1716 O HOH 62 -3.668 23.978 -15.752 1.00 47.82 O HETATM 1717 O HOH 63 18.463 25.240 -19.404 1.00 33.05 O HETATM 1718 O HOH 64 13.444 35.653 -11.236 1.00 51.40 O HETATM 1719 O HOH 65 28.772 6.176 -13.834 1.00 17.08 O HETATM 1720 O HOH 66 22.177 9.084 -18.692 1.00 13.27 O HETATM 1721 O HOH 67 5.686 14.453 10.376 1.00 41.84 O HETATM 1722 O HOH 68 12.778 11.161 14.432 1.00 38.58 O HETATM 1723 O HOH 69 22.634 -1.495 -11.360 1.00 38.04 O HETATM 1724 O HOH 70 11.847 11.181 11.312 1.00 18.01 O HETATM 1725 O HOH 71 8.938 26.859 2.665 1.00 6.80 O HETATM 1726 O HOH 72 9.497 -3.758 -5.299 1.00 40.52 O HETATM 1727 O HOH 73 1.841 16.559 10.922 1.00 44.94 O HETATM 1728 O HOH 74 20.768 11.321 13.867 1.00 46.66 O HETATM 1729 O HOH 75 27.437 9.074 -2.141 1.00 45.36 O HETATM 1730 O HOH 76 0.582 9.519 -16.325 1.00 33.80 O HETATM 1731 O HOH 77 29.273 12.750 -1.518 1.00 18.89 O HETATM 1732 O HOH 78 30.712 6.870 -19.572 1.00 36.79 O HETATM 1733 O HOH 79 34.856 11.305 -3.124 1.00 32.70 O HETATM 1734 O HOH 80 4.163 10.579 -17.463 1.00 16.24 O HETATM 1735 O HOH 81 20.889 9.526 8.200 1.00 14.48 O HETATM 1736 O HOH 82 16.434 27.434 14.166 1.00 31.60 O HETATM 1737 O HOH 83 18.426 36.399 -9.068 1.00 29.65 O HETATM 1738 O HOH 84 8.633 17.784 -0.534 1.00 6.47 O HETATM 1739 O HOH 85 28.341 29.469 0.503 1.00 17.21 O HETATM 1740 O HOH 86 18.212 30.350 -7.404 1.00 8.12 O HETATM 1741 O HOH 87 -1.422 15.982 -14.562 1.00 16.14 O HETATM 1742 O HOH 88 30.102 28.446 -8.118 1.00 18.68 O HETATM 1743 O HOH 89 9.753 27.955 -12.987 1.00 11.68 O HETATM 1744 O HOH 90 21.652 10.756 -20.732 1.00 18.49 O HETATM 1745 O HOH 91 8.253 17.563 -7.844 1.00 7.65 O HETATM 1746 O HOH 92 4.248 10.684 4.945 1.00 26.62 O HETATM 1747 O HOH 93 37.214 18.065 -17.578 1.00 38.19 O HETATM 1748 O HOH 94 10.771 38.922 -5.472 1.00 31.79 O HETATM 1749 O HOH 95 2.819 23.752 -1.000 1.00 11.57 O HETATM 1750 O HOH 96 17.219 31.948 -14.597 1.00 36.53 O HETATM 1751 O HOH 97 9.530 27.896 -15.703 1.00 20.59 O HETATM 1752 O HOH 98 8.148 11.503 4.279 1.00 20.99 O HETATM 1753 O HOH 99 11.570 9.418 -22.771 1.00 18.83 O HETATM 1754 O HOH 100 35.129 19.777 -17.489 1.00 43.65 O HETATM 1755 O HOH 101 24.377 25.548 -18.587 1.00 40.50 O HETATM 1756 O HOH 102 -0.733 21.368 -5.950 1.00 16.86 O HETATM 1757 O HOH 103 32.563 7.618 -6.602 1.00 40.51 O HETATM 1758 O HOH 104 38.261 15.474 -9.218 1.00 16.56 O HETATM 1759 O HOH 105 24.907 32.639 -2.253 1.00 11.76 O HETATM 1760 O HOH 106 15.149 35.993 1.465 1.00 28.28 O HETATM 1761 O HOH 107 24.118 21.866 8.458 1.00 43.33 O HETATM 1762 O HOH 108 17.440 5.785 13.502 1.00 30.52 O HETATM 1763 O HOH 109 9.412 -1.057 -6.374 1.00 22.64 O HETATM 1764 O HOH 110 8.314 18.428 12.060 1.00 30.99 O HETATM 1765 O HOH 111 -0.074 19.716 0.214 1.00 22.86 O HETATM 1766 O HOH 112 28.130 24.010 2.355 1.00 17.79 O HETATM 1767 O HOH 113 1.654 10.998 -9.349 1.00 42.55 O HETATM 1768 O HOH 114 19.853 37.155 -5.712 1.00 27.12 O HETATM 1769 O HOH 115 25.667 22.209 6.239 1.00 18.99 O HETATM 1770 O HOH 116 7.659 21.439 14.418 1.00 34.16 O HETATM 1771 O HOH 117 4.142 34.171 -9.866 1.00 35.94 O HETATM 1772 O HOH 118 2.955 7.610 -4.147 1.00 22.49 O HETATM 1773 O HOH 119 21.381 7.832 6.111 1.00 12.37 O HETATM 1774 O HOH 120 12.718 31.977 9.435 1.00 31.41 O HETATM 1775 O HOH 121 -7.195 20.946 -15.205 1.00 28.18 O HETATM 1776 O HOH 122 22.065 35.057 -2.597 1.00 13.87 O HETATM 1777 O HOH 123 -4.280 20.967 -9.390 1.00 25.06 O HETATM 1778 O HOH 124 18.457 38.253 4.093 1.00 34.06 O HETATM 1779 O HOH 125 35.422 15.674 -6.685 1.00 26.02 O HETATM 1780 O HOH 126 30.367 16.519 -2.087 1.00 20.64 O HETATM 1781 O HOH 127 25.138 15.888 5.189 1.00 36.70 O HETATM 1782 O HOH 128 10.423 -6.731 -9.473 1.00 34.48 O HETATM 1783 O HOH 129 22.698 8.364 10.112 1.00 46.28 O HETATM 1784 O HOH 130 22.095 35.577 -5.495 1.00 12.54 O HETATM 1785 O HOH 131 27.357 31.137 -13.837 1.00 42.66 O HETATM 1786 O HOH 132 2.428 10.172 -12.972 1.00 26.95 O HETATM 1787 O HOH 133 36.848 18.311 -8.971 1.00 24.34 O HETATM 1788 O HOH 134 23.380 3.855 -4.636 1.00 21.55 O HETATM 1789 O HOH 135 9.393 13.198 12.219 1.00 35.95 O HETATM 1790 O HOH 136 3.808 28.221 -14.667 1.00 39.41 O HETATM 1791 O HOH 137 37.952 14.756 -15.778 1.00 24.04 O HETATM 1792 O HOH 138 17.845 26.713 10.012 1.00 35.96 O HETATM 1793 O HOH 139 21.041 27.777 -17.322 1.00 27.16 O HETATM 1794 O HOH 140 13.184 2.906 -14.616 1.00 12.85 O HETATM 1795 O HOH 141 23.620 11.490 5.278 1.00 13.47 O HETATM 1796 O HOH 142 26.691 8.822 -20.416 1.00 10.93 O HETATM 1797 O HOH 143 21.415 25.015 -18.211 1.00 14.32 O HETATM 1798 O HOH 144 8.027 24.565 1.170 1.00 8.51 O HETATM 1799 O HOH 145 35.659 19.778 -21.728 1.00 44.49 O HETATM 1800 O HOH 146 2.781 20.575 -2.986 1.00 12.68 O HETATM 1801 O HOH 147 7.532 22.832 -19.974 1.00 40.29 O HETATM 1802 O HOH 148 8.076 25.763 -16.546 1.00 27.43 O HETATM 1803 O HOH 149 28.526 23.786 -17.500 1.00 19.93 O HETATM 1804 O HOH 150 28.172 22.039 -0.873 1.00 10.02 O HETATM 1805 O HOH 151 33.345 16.775 -3.259 1.00 43.36 O HETATM 1806 O HOH 152 7.438 36.475 -7.063 1.00 13.47 O HETATM 1807 O HOH 153 15.579 29.918 -15.400 1.00 23.79 O HETATM 1808 O HOH 154 13.418 33.950 1.719 1.00 27.16 O HETATM 1809 O HOH 155 11.312 30.834 1.219 1.00 11.55 O HETATM 1810 O HOH 156 16.104 37.293 -7.167 1.00 25.67 O HETATM 1811 O HOH 157 15.368 0.236 -0.009 1.00 57.69 O HETATM 1812 O HOH 158 15.404 4.300 -18.182 1.00 34.85 O HETATM 1813 O HOH 159 15.928 36.267 -10.268 1.00 40.70 O HETATM 1814 O HOH 160 24.023 18.428 5.706 1.00 14.38 O HETATM 1815 O HOH 161 7.252 36.585 -9.986 1.00 26.83 O HETATM 1816 O HOH 162 22.174 21.651 11.640 1.00 54.74 O HETATM 1817 O HOH 163 18.244 18.139 15.459 1.00 21.34 O HETATM 1818 O HOH 164 5.160 33.570 -12.799 1.00 44.56 O HETATM 1819 O HOH 165 26.429 25.382 -16.787 1.00 31.83 O HETATM 1820 O HOH 166 3.362 22.258 1.215 1.00 10.40 O HETATM 1821 O HOH 167 23.441 -1.029 -4.974 1.00 34.99 O HETATM 1822 O HOH 168 17.324 30.448 -17.401 1.00 26.60 O HETATM 1823 O HOH 169 21.371 3.942 -11.902 1.00 28.54 O HETATM 1824 O HOH 170 17.782 21.266 13.847 1.00 22.87 O HETATM 1825 O HOH 171 13.966 23.432 -20.489 1.00 16.65 O HETATM 1826 O HOH 172 16.929 5.600 -16.138 1.00 29.74 O HETATM 1827 O HOH 173 26.242 29.516 -15.885 1.00 44.90 O HETATM 1828 O HOH 174 12.887 32.539 -12.167 1.00 27.77 O HETATM 1829 O HOH 175 30.627 24.589 -9.885 1.00 35.23 O HETATM 1830 O HOH 176 9.807 30.383 3.406 1.00 13.03 O HETATM 1831 O HOH 177 12.354 0.072 -0.010 1.00 44.09 O HETATM 1832 O HOH 178 1.635 18.431 8.270 1.00 28.35 O HETATM 1833 O HOH 179 24.380 33.451 -4.843 1.00 14.89 O HETATM 1834 O HOH 180 29.677 3.893 -12.636 1.00 39.30 O HETATM 1835 O HOH 181 19.973 22.624 12.943 1.00 34.86 O HETATM 1836 O HOH 182 18.236 2.883 -0.579 1.00 36.12 O HETATM 1837 O HOH 183 33.479 8.777 -4.307 1.00 32.37 O HETATM 1838 O HOH 184 20.671 14.524 -22.840 1.00 49.87 O HETATM 1839 O HOH 185 3.463 22.260 7.179 1.00 15.24 O HETATM 1840 O HOH 186 -0.033 28.667 -11.318 1.00 45.55 O HETATM 1841 O HOH 187 1.833 26.643 -13.680 1.00 30.91 O HETATM 1842 O HOH 188 17.170 2.690 -10.267 1.00 17.65 O HETATM 1843 O HOH 189 17.514 4.174 -13.960 1.00 23.96 O HETATM 1844 O HOH 190 33.418 22.917 -16.746 1.00 45.30 O HETATM 1845 O HOH 191 31.409 23.576 -2.737 1.00 52.03 O HETATM 1846 O HOH 192 17.728 8.977 -21.477 1.00 17.39 O HETATM 1847 O HOH 193 13.175 2.825 -17.663 1.00 41.83 O HETATM 1848 O HOH 194 3.353 12.905 -4.175 1.00 34.88 O HETATM 1849 O HOH 195 24.563 7.603 -19.266 1.00 24.08 O HETATM 1850 O HOH 196 10.102 33.139 0.082 1.00 22.55 O HETATM 1851 O HOH 197 -2.208 25.731 -14.268 1.00 37.54 O HETATM 1852 O HOH 198 15.909 -3.145 -10.548 1.00 31.38 O HETATM 1853 O HOH 199 7.504 17.239 -20.608 1.00 32.24 O HETATM 1854 O HOH 200 19.769 4.198 -2.417 1.00 32.76 O HETATM 1855 O HOH 201 31.144 24.345 -17.137 1.00 38.42 O HETATM 1856 O HOH 202 12.227 8.392 10.636 1.00 33.99 O HETATM 1857 O HOH 203 15.985 26.232 -18.886 1.00 44.66 O HETATM 1858 O HOH 204 28.582 26.239 0.892 1.00 31.64 O HETATM 1859 O HOH 205 23.504 6.558 2.509 1.00 22.37 O HETATM 1860 O HOH 206 34.550 4.703 -5.873 1.00 45.21 O HETATM 1861 O HOH 207 -2.577 20.002 -16.584 1.00 35.95 O HETATM 1862 O HOH 208 22.321 34.041 -14.707 1.00 42.58 O HETATM 1863 O HOH 209 16.762 37.570 -1.004 1.00 45.47 O HETATM 1864 O HOH 210 33.057 4.148 -3.657 1.00 48.99 O HETATM 1865 O HOH 211 11.364 22.250 -21.456 1.00 29.74 O HETATM 1866 O HOH 212 -0.152 11.262 -18.620 1.00 44.98 O HETATM 1867 O HOH 213 0.380 23.553 -19.201 1.00 34.43 O HETATM 1868 O HOH 214 8.111 30.785 1.366 1.00 49.30 O HETATM 1869 O HOH 215 33.084 23.353 -13.165 1.00 30.61 O HETATM 1870 O HOH 216 25.560 12.803 3.875 1.00 53.55 O HETATM 1871 O HOH 217 -0.704 10.793 -10.755 1.00 50.87 O HETATM 1872 O HOH 218 6.510 4.131 5.644 1.00 37.44 O HETATM 1873 O HOH 219 3.656 21.972 11.468 1.00 32.30 O HETATM 1874 O HOH 220 28.864 7.329 -21.641 1.00 34.90 O HETATM 1875 O HOH 221 12.384 28.668 -12.856 1.00 17.18 O HETATM 1876 O HOH 222 20.227 7.177 -19.022 1.00 25.55 O HETATM 1877 O HOH 223 31.354 26.144 -7.860 1.00 34.13 O HETATM 1878 O HOH 224 15.677 22.844 15.286 1.00 35.85 O HETATM 1879 O HOH 225 5.592 14.928 -20.194 1.00 43.63 O HETATM 1880 O HOH 226 31.172 20.944 -1.421 1.00 33.89 O HETATM 1881 O HOH 227 18.310 38.062 -3.656 1.00 28.46 O HETATM 1882 O HOH 228 12.408 30.223 -10.646 1.00 14.42 O HETATM 1883 O HOH 229 17.984 -1.643 -11.485 1.00 35.18 O HETATM 1884 O HOH 230 24.714 28.072 -17.628 1.00 36.81 O HETATM 1885 O HOH 231 32.958 24.046 -19.163 1.00 46.13 O HETATM 1886 O HOH 232 -0.814 21.656 1.946 1.00 17.34 O HETATM 1887 O HOH 233 3.699 -1.966 -9.548 1.00 48.42 O HETATM 1888 O HOH 234 6.906 19.883 -20.955 1.00 40.92 O HETATM 1889 O HOH 235 5.543 -1.719 -6.504 1.00 43.83 O HETATM 1890 C4 F A 0 10.067 12.786 -19.674 1.00 -0.03 C HETATM 1891 C5 F A 0 10.297 14.066 -19.182 1.00 0.09 C HETATM 1892 C6 F A 0 11.467 14.748 -19.507 1.00 -0.02 C HETATM 1893 C10 F A 0 12.412 14.137 -20.334 1.00 -0.00 C HETATM 1894 C9 F A 0 12.171 12.861 -20.817 1.00 0.04 C HETATM 1895 C8 F A 0 13.328 12.445 -21.634 1.00 0.20 C HETATM 1896 O2 F A 0 13.466 11.389 -22.252 1.00 -0.39 O HETATM 1897 N7 F A 0 14.200 13.467 -21.607 1.00 -0.27 N HETATM 1898 C11 F A 0 13.783 14.598 -20.782 1.00 0.09 C HETATM 1899 C15 F A 0 14.811 14.860 -19.695 1.00 -0.01 C HETATM 1900 C17 F A 0 14.931 14.151 -18.441 1.00 -0.03 C HETATM 1901 C16 F A 0 16.068 14.672 -17.792 1.00 0.06 C HETATM 1902 C21 F A 0 16.471 14.221 -16.538 1.00 -0.05 C HETATM 1903 C20 F A 0 15.738 13.204 -15.940 1.00 -0.08 C HETATM 1904 C19 F A 0 14.584 12.709 -16.543 1.00 -0.08 C HETATM 1905 C18 F A 0 14.198 13.149 -17.803 1.00 -0.08 C HETATM 1906 H14 F A 0 13.331 12.716 -18.289 1.00 0.05 H HETATM 1907 H15 F A 0 13.981 11.973 -16.024 1.00 0.05 H HETATM 1908 H3 F A 0 16.068 12.791 -14.993 1.00 0.05 H HETATM 1909 H4 F A 0 17.333 14.652 -16.042 1.00 0.05 H HETATM 1910 N13 F A 0 16.609 15.651 -18.610 1.00 -0.28 N HETATM 1911 C14 F A 0 15.860 15.732 -19.761 1.00 0.09 C HETATM 1912 C12 F A 0 16.275 16.631 -20.884 1.00 0.02 C HETATM 1913 N22 F A 0 17.475 16.024 -21.512 1.00 0.25 N HETATM 1914 C29 F A 0 18.291 16.986 -22.277 1.00 -0.00 C HETATM 1915 C27 F A 0 17.592 17.526 -23.502 1.00 -0.01 C HETATM 1916 C26 F A 0 17.796 16.958 -24.766 1.00 -0.07 C HETATM 1917 C25 F A 0 17.142 17.451 -25.889 1.00 -0.08 C HETATM 1918 C24 F A 0 16.245 18.522 -25.775 1.00 -0.03 C HETATM 1919 C23 F A 0 16.052 19.089 -24.503 1.00 0.06 C HETATM 1920 C28 F A 0 16.731 18.616 -23.388 1.00 -0.04 C HETATM 1921 H6 F A 0 16.591 19.096 -22.426 1.00 0.05 H HETATM 1922 N32 F A 0 15.130 20.116 -24.637 1.00 -0.26 N HETATM 1923 C31 F A 0 14.764 20.195 -25.962 1.00 0.02 C HETATM 1924 C30 F A 0 15.398 19.242 -26.682 1.00 -0.07 C HETATM 1925 H21 F A 0 15.287 19.056 -27.749 1.00 0.03 H HETATM 1926 H22 F A 0 14.064 20.921 -26.372 1.00 0.09 H HETATM 1927 C33 F A 0 14.568 20.911 -23.548 1.00 0.08 C HETATM 1928 C34 F A 0 13.673 20.048 -22.710 1.00 0.02 C HETATM 1929 C35 F A 0 12.500 19.434 -23.028 1.00 0.03 C HETATM 1930 N36 F A 0 12.109 18.739 -21.922 1.00 -0.26 N HETATM 1931 C37 F A 0 13.043 18.914 -20.974 1.00 0.09 C HETATM 1932 N38 F A 0 14.005 19.701 -21.414 1.00 -0.32 N HETATM 1933 H26 F A 0 13.011 18.468 -19.981 1.00 0.12 H HETATM 1934 C39 F A 0 10.877 17.955 -21.800 1.00 0.04 C HETATM 1935 H27 F A 0 10.317 18.002 -22.746 1.00 0.06 H HETATM 1936 H28 F A 0 10.260 18.366 -20.988 1.00 0.06 H HETATM 1937 H29 F A 0 11.129 16.908 -21.575 1.00 0.06 H HETATM 1938 H25 F A 0 11.976 19.488 -23.981 1.00 0.07 H HETATM 1939 H23 F A 0 13.986 21.746 -23.966 1.00 0.07 H HETATM 1940 H24 F A 0 15.383 21.308 -22.925 1.00 0.07 H HETATM 1941 H18 F A 0 17.327 17.004 -26.859 1.00 0.05 H HETATM 1942 H5 F A 0 18.475 16.120 -24.870 1.00 0.05 H HETATM 1943 H19 F A 0 19.215 16.482 -22.597 1.00 0.10 H HETATM 1944 H20 F A 0 18.543 17.831 -21.619 1.00 0.10 H HETATM 1945 H16 F A 0 17.172 15.294 -22.138 1.00 0.20 H HETATM 1946 H17 F A 0 18.049 15.627 -20.785 1.00 0.20 H HETATM 1947 H11 F A 0 16.518 17.631 -20.496 1.00 0.10 H HETATM 1948 H12 F A 0 15.463 16.711 -21.622 1.00 0.10 H HETATM 1949 H13 F A 0 17.436 16.224 -18.392 1.00 0.22 H HETATM 1950 H10 F A 0 13.687 15.513 -21.384 1.00 0.08 H HETATM 1951 H9 F A 0 15.064 13.454 -22.111 1.00 0.19 H HETATM 1952 C3 F A 0 10.995 12.187 -20.505 1.00 -0.06 C HETATM 1953 H8 F A 0 10.808 11.199 -20.910 1.00 0.06 H HETATM 1954 H2 F A 0 11.643 15.746 -19.121 1.00 0.05 H HETATM 1955 O1 F A 0 9.318 14.651 -18.435 1.00 -0.33 O HETATM 1956 H7 F A 0 8.602 14.038 -18.317 1.00 0.25 H HETATM 1957 H1 F A 0 9.159 12.258 -19.406 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 152 151 153 1655 CONECT 326 325 328 1655 CONECT 1655 152 326 CONECT 1890 1891 1952 1957 CONECT 1891 1890 1892 1955 CONECT 1892 1891 1893 1954 CONECT 1893 1892 1894 1898 CONECT 1894 1893 1895 1952 CONECT 1895 1894 1896 1897 CONECT 1896 1895 CONECT 1897 1895 1898 1951 CONECT 1898 1893 1897 1899 1950 CONECT 1899 1898 1900 1911 CONECT 1900 1899 1901 1905 CONECT 1901 1900 1902 1910 CONECT 1902 1901 1903 1909 CONECT 1903 1902 1904 1908 CONECT 1904 1903 1905 1907 CONECT 1905 1900 1904 1906 CONECT 1906 1905 CONECT 1907 1904 CONECT 1908 1903 CONECT 1909 1902 CONECT 1910 1901 1911 1949 CONECT 1911 1899 1910 1912 CONECT 1912 1911 1913 1947 1948 CONECT 1913 1912 1914 1945 1946 CONECT 1914 1913 1915 1943 1944 CONECT 1915 1914 1916 1920 CONECT 1916 1915 1917 1942 CONECT 1917 1916 1918 1941 CONECT 1918 1917 1919 1924 CONECT 1919 1918 1920 1922 CONECT 1920 1915 1919 1921 CONECT 1921 1920 CONECT 1922 1919 1923 1927 CONECT 1923 1922 1924 1926 CONECT 1924 1918 1923 1925 CONECT 1925 1924 CONECT 1926 1923 CONECT 1927 1922 1928 1939 1940 CONECT 1928 1927 1929 1932 CONECT 1929 1928 1930 1938 CONECT 1930 1929 1931 1934 CONECT 1931 1930 1932 1933 CONECT 1932 1928 1931 CONECT 1933 1931 CONECT 1934 1930 1935 1936 1937 CONECT 1935 1934 CONECT 1936 1934 CONECT 1937 1934 CONECT 1938 1929 CONECT 1939 1927 CONECT 1940 1927 CONECT 1941 1917 CONECT 1942 1916 CONECT 1943 1914 CONECT 1944 1914 CONECT 1945 1913 CONECT 1946 1913 CONECT 1947 1912 CONECT 1948 1912 CONECT 1949 1910 CONECT 1950 1898 CONECT 1951 1897 CONECT 1952 1890 1894 1953 CONECT 1953 1952 CONECT 1954 1892 CONECT 1955 1891 1956 CONECT 1956 1955 CONECT 1957 1890 MASTER 0 0 0 0 0 0 0 0 1956 1 75 13 END
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Related entries of code: 6gj8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
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
6gj8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
KRAS G12D
Ligand Name
F0K
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=1.36uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 15823-15829
Ligand Properties
Formula
C
3
1
H
2
9
N
6
O
2
Molecular Weight
517.601
Exact Mass
517.235
No. of atoms
68
No. of bonds
74
Polar Surface Area
104.48
LOGP Value
2.94 (
Computed with XLOGP3
)
4.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 7
Canonical SMILES
Cn1cnc(c1)Cn1ccc2c1cc(C[NH2+]Cc1[nH]c3c(c1[C@H]1NC(=O)c4c1cc(O)cc4)cccc3)cc2
InChI String
InChI=1S/C31H28N6O2/c1-36-16-21(33-18-36)17-37-11-10-20-7-6-19(12-28(20)37)14-32-15-27-29(24-4-2-3-5-26(24)34-27)30-25-13-22(38)8-9-23(25)31(39)35-30/h2-13,16,18,30,32,34,38H,14-15,17H2,1H3,(H,35,39)/p+1/t30-/m0/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):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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