Browse entries in the PDBbind-CN Database
HEADER 5OUI_COMPLEX COMPND 5OUI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 205 GLY GLU PHE GLN ARG LYS LEU TYR LYS GLU LEU VAL LYS SEQRES 2 A 205 ASN TYR ASN PRO ASP VAL ILE PRO THR GLN ARG ASP ARG SEQRES 3 A 205 PRO VAL THR VAL TYR PHE SER LEU SER LEU LEU GLN ILE SEQRES 4 A 205 MET ASP VAL ASP GLU LYS ASN GLN VAL VAL ASP VAL VAL SEQRES 5 A 205 ILE TRP LEU GLN MET SER TRP THR ASP HIS TYR LEU GLN SEQRES 6 A 205 TRP ASN VAL SER GLU TYR PRO GLY VAL LYS GLN VAL SER SEQRES 7 A 205 VAL PRO ILE SER SER LEU TRP LYS PRO ASP ILE LEU LEU SEQRES 8 A 205 TYR ASN ALA ILE GLU ARG PRO GLU VAL LEU THR PRO GLN SEQRES 9 A 205 LEU ALA LEU VAL ASN SER SER GLY HIS VAL GLN TYR LEU SEQRES 10 A 205 PRO SER ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY SEQRES 11 A 205 VAL ASP THR GLU SER GLY ALA THR CYS LYS LEU LYS PHE SEQRES 12 A 205 GLY SER TRP THR HIS HIS SER ARG GLU LEU ASP LEU GLN SEQRES 13 A 205 MET GLN GLU ALA ASP ILE SER GLY TYR ILE PRO TYR SER SEQRES 14 A 205 ARG PHE GLU LEU VAL GLY VAL THR GLN LYS ARG SER GLU SEQRES 15 A 205 ARG PHE TYR GLU CYS CYS LYS GLU PRO TYR PRO ASP VAL SEQRES 16 A 205 THR PHE THR VAL THR PHE ARG LYS LYS GLY HET AVB A 250 31 SSBOND 1 CYS A 125 CYS A 138 SSBOND 2 CYS A 186 CYS A 187 ATOM 1 N GLY A 0 -10.778 1.544 -35.935 1.00104.93 N ATOM 2 CA GLY A 0 -12.045 1.036 -35.333 1.00104.06 C ATOM 3 C GLY A 0 -12.848 2.127 -34.658 1.00104.67 C ATOM 4 O GLY A 0 -12.466 2.584 -33.587 1.00101.68 O ATOM 5 HN3 GLY A 0 -10.185 1.963 -35.190 1.00 0.00 H ATOM 6 HN2 GLY A 0 -11.000 2.266 -36.650 1.00 0.00 H ATOM 7 HN1 GLY A 0 -10.268 0.756 -36.383 1.00 0.00 H ATOM 8 N GLU A 1 -13.972 2.523 -35.260 1.00107.80 N ATOM 9 CA GLU A 1 -14.898 3.470 -34.646 1.00108.34 C ATOM 10 C GLU A 1 -15.584 2.881 -33.415 1.00106.20 C ATOM 11 O GLU A 1 -15.634 3.516 -32.349 1.00106.13 O ATOM 12 CB GLU A 1 -15.953 3.943 -35.653 1.00111.92 C ATOM 13 CG GLU A 1 -15.433 4.878 -36.731 1.00115.08 C ATOM 14 CD GLU A 1 -15.116 6.286 -36.228 1.00117.99 C ATOM 15 OE1 GLU A 1 -15.147 6.562 -35.007 1.00120.17 O ATOM 16 OE2 GLU A 1 -14.843 7.163 -37.068 1.00119.91 O ATOM 17 H GLU A 1 -14.196 2.143 -36.202 1.00 0.00 H ATOM 18 N PHE A 2 -16.101 1.662 -33.564 1.00104.72 N ATOM 19 CA PHE A 2 -16.777 0.999 -32.455 1.00102.43 C ATOM 20 C PHE A 2 -15.816 0.627 -31.326 1.00 98.48 C ATOM 21 O PHE A 2 -16.177 0.767 -30.165 1.00 97.79 O ATOM 22 CB PHE A 2 -17.572 -0.232 -32.924 1.00102.41 C ATOM 23 CG PHE A 2 -18.864 0.111 -33.613 1.00105.06 C ATOM 24 CD1 PHE A 2 -19.993 0.480 -32.870 1.00106.79 C ATOM 25 CD2 PHE A 2 -18.960 0.050 -34.986 1.00105.94 C ATOM 26 CE1 PHE A 2 -21.184 0.789 -33.498 1.00110.15 C ATOM 27 CE2 PHE A 2 -20.159 0.355 -35.627 1.00110.25 C ATOM 28 CZ PHE A 2 -21.267 0.739 -34.880 1.00112.03 C ATOM 29 H PHE A 2 -16.022 1.178 -34.481 1.00 0.00 H ATOM 30 N GLN A 3 -14.613 0.160 -31.664 1.00 97.04 N ATOM 31 CA GLN A 3 -13.562 -0.125 -30.664 1.00 95.12 C ATOM 32 C GLN A 3 -13.216 1.091 -29.819 1.00 94.14 C ATOM 33 O GLN A 3 -13.029 0.981 -28.605 1.00 94.03 O ATOM 34 CB GLN A 3 -12.276 -0.647 -31.320 1.00 95.18 C ATOM 35 CG GLN A 3 -12.228 -2.155 -31.504 1.00 95.10 C ATOM 36 CD GLN A 3 -10.828 -2.735 -31.370 1.00 94.27 C ATOM 37 OE1 GLN A 3 -10.414 -3.559 -32.186 1.00 97.18 O ATOM 38 NE2 GLN A 3 -10.108 -2.349 -30.312 1.00 92.64 N ATOM 39 HE22 GLN A 3 -10.495 -1.650 -29.646 1.00 0.00 H ATOM 40 HE21 GLN A 3 -9.160 -2.748 -30.154 1.00 0.00 H ATOM 41 H GLN A 3 -14.407 -0.010 -32.669 1.00 0.00 H ATOM 42 N ARG A 4 -13.126 2.245 -30.467 1.00 95.29 N ATOM 43 CA ARG A 4 -12.862 3.496 -29.762 1.00 95.78 C ATOM 44 C ARG A 4 -14.021 3.863 -28.817 1.00 96.84 C ATOM 45 O ARG A 4 -13.771 4.280 -27.686 1.00 95.55 O ATOM 46 CB ARG A 4 -12.476 4.614 -30.734 1.00 97.71 C ATOM 47 CG ARG A 4 -13.550 5.363 -31.474 1.00101.17 C ATOM 48 CD ARG A 4 -13.151 6.804 -31.738 1.00103.06 C ATOM 49 NE ARG A 4 -11.998 6.974 -32.632 1.00101.65 N ATOM 50 CZ ARG A 4 -11.698 8.096 -33.298 1.00103.35 C ATOM 51 NH1 ARG A 4 -12.475 9.182 -33.235 1.00106.61 N ATOM 52 NH2 ARG A 4 -10.611 8.132 -34.060 1.00101.74 N ATOM 53 HE ARG A 4 -11.365 6.159 -32.758 1.00 0.00 H ATOM 54 HH12 ARG A 4 -12.215 10.039 -33.764 1.00 0.00 H ATOM 55 HH11 ARG A 4 -13.339 9.170 -32.657 1.00 0.00 H ATOM 56 HH22 ARG A 4 -10.370 8.999 -34.581 1.00 0.00 H ATOM 57 HH21 ARG A 4 -10.001 7.293 -34.136 1.00 0.00 H ATOM 58 H ARG A 4 -13.246 2.259 -31.500 1.00 0.00 H ATOM 59 N LYS A 5 -15.268 3.669 -29.247 1.00 99.01 N ATOM 60 CA LYS A 5 -16.416 3.886 -28.342 1.00101.70 C ATOM 61 C LYS A 5 -16.411 2.908 -27.163 1.00 99.19 C ATOM 62 O LYS A 5 -16.740 3.281 -26.039 1.00 99.38 O ATOM 63 CB LYS A 5 -17.756 3.775 -29.073 1.00105.99 C ATOM 64 CG LYS A 5 -18.902 4.392 -28.273 1.00110.67 C ATOM 65 CD LYS A 5 -20.284 3.903 -28.673 1.00114.53 C ATOM 66 CE LYS A 5 -21.229 3.949 -27.476 1.00117.39 C ATOM 67 NZ LYS A 5 -22.622 3.635 -27.874 1.00121.32 N ATOM 68 HZ1 LYS A 5 -22.945 4.330 -28.577 1.00 0.00 H ATOM 69 HZ2 LYS A 5 -22.657 2.681 -28.286 1.00 0.00 H ATOM 70 HZ3 LYS A 5 -23.238 3.675 -27.037 1.00 0.00 H ATOM 71 H LYS A 5 -15.434 3.363 -30.227 1.00 0.00 H ATOM 72 N LEU A 6 -16.043 1.659 -27.442 1.00 96.28 N ATOM 73 CA LEU A 6 -15.957 0.592 -26.431 1.00 93.38 C ATOM 74 C LEU A 6 -14.919 0.883 -25.350 1.00 89.47 C ATOM 75 O LEU A 6 -15.231 0.732 -24.173 1.00 90.62 O ATOM 76 CB LEU A 6 -15.649 -0.767 -27.088 1.00 92.37 C ATOM 77 CG LEU A 6 -15.534 -2.002 -26.182 1.00 91.17 C ATOM 78 CD1 LEU A 6 -16.843 -2.214 -25.443 1.00 93.97 C ATOM 79 CD2 LEU A 6 -15.162 -3.250 -26.969 1.00 90.07 C ATOM 80 H LEU A 6 -15.804 1.425 -28.427 1.00 0.00 H ATOM 81 N TYR A 7 -13.702 1.285 -25.734 1.00 85.31 N ATOM 82 CA TYR A 7 -12.663 1.629 -24.748 1.00 83.00 C ATOM 83 C TYR A 7 -13.124 2.784 -23.855 1.00 85.27 C ATOM 84 O TYR A 7 -12.799 2.820 -22.679 1.00 84.72 O ATOM 85 CB TYR A 7 -11.329 1.983 -25.418 1.00 80.37 C ATOM 86 CG TYR A 7 -10.459 0.801 -25.812 1.00 76.62 C ATOM 87 CD1 TYR A 7 -10.969 -0.274 -26.537 1.00 75.60 C ATOM 88 CD2 TYR A 7 -9.106 0.786 -25.504 1.00 74.17 C ATOM 89 CE1 TYR A 7 -10.162 -1.332 -26.911 1.00 72.99 C ATOM 90 CE2 TYR A 7 -8.303 -0.270 -25.871 1.00 71.38 C ATOM 91 CZ TYR A 7 -8.840 -1.316 -26.569 1.00 70.91 C ATOM 92 OH TYR A 7 -8.034 -2.358 -26.927 1.00 69.00 O ATOM 93 HH TYR A 7 -7.302 -2.024 -27.504 1.00 0.00 H ATOM 94 H TYR A 7 -13.485 1.356 -26.749 1.00 0.00 H ATOM 95 N LYS A 8 -13.884 3.715 -24.423 1.00 89.68 N ATOM 96 CA LYS A 8 -14.437 4.841 -23.659 1.00 94.61 C ATOM 97 C LYS A 8 -15.435 4.375 -22.592 1.00 95.97 C ATOM 98 O LYS A 8 -15.428 4.879 -21.473 1.00 96.02 O ATOM 99 CB LYS A 8 -15.111 5.881 -24.587 1.00 98.66 C ATOM 100 CG LYS A 8 -14.880 7.339 -24.127 1.00101.32 C ATOM 101 CD LYS A 8 -16.085 8.287 -24.191 1.00105.60 C ATOM 102 CE LYS A 8 -16.060 9.223 -22.989 1.00107.43 C ATOM 103 NZ LYS A 8 -17.097 10.285 -23.083 1.00111.66 N ATOM 104 HZ1 LYS A 8 -16.934 10.853 -23.939 1.00 0.00 H ATOM 105 HZ2 LYS A 8 -18.038 9.845 -23.132 1.00 0.00 H ATOM 106 HZ3 LYS A 8 -17.042 10.897 -22.244 1.00 0.00 H ATOM 107 H LYS A 8 -14.093 3.644 -25.439 1.00 0.00 H ATOM 108 N GLU A 9 -16.286 3.414 -22.953 1.00 96.53 N ATOM 109 CA GLU A 9 -17.207 2.778 -21.989 1.00 97.42 C ATOM 110 C GLU A 9 -16.505 1.851 -20.983 1.00 95.68 C ATOM 111 O GLU A 9 -16.902 1.813 -19.819 1.00 98.35 O ATOM 112 CB GLU A 9 -18.326 2.012 -22.713 1.00 98.35 C ATOM 113 CG GLU A 9 -19.403 2.914 -23.303 1.00101.93 C ATOM 114 CD GLU A 9 -20.152 3.706 -22.256 1.00104.84 C ATOM 115 OE1 GLU A 9 -20.300 3.236 -21.112 1.00102.99 O ATOM 116 OE2 GLU A 9 -20.618 4.811 -22.575 1.00108.68 O ATOM 117 H GLU A 9 -16.302 3.102 -23.945 1.00 0.00 H ATOM 118 N LEU A 10 -15.481 1.111 -21.410 1.00 92.57 N ATOM 119 CA LEU A 10 -14.770 0.190 -20.506 1.00 90.12 C ATOM 120 C LEU A 10 -13.937 0.879 -19.422 1.00 88.91 C ATOM 121 O LEU A 10 -13.844 0.359 -18.328 1.00 88.91 O ATOM 122 CB LEU A 10 -13.883 -0.796 -21.279 1.00 88.78 C ATOM 123 CG LEU A 10 -14.577 -1.919 -22.045 1.00 91.02 C ATOM 124 CD1 LEU A 10 -13.512 -2.782 -22.725 1.00 89.22 C ATOM 125 CD2 LEU A 10 -15.490 -2.754 -21.142 1.00 92.41 C ATOM 126 H LEU A 10 -15.178 1.186 -22.402 1.00 0.00 H ATOM 127 N VAL A 11 -13.320 2.021 -19.718 1.00 88.26 N ATOM 128 CA VAL A 11 -12.552 2.755 -18.689 1.00 86.97 C ATOM 129 C VAL A 11 -13.426 3.347 -17.580 1.00 89.30 C ATOM 130 O VAL A 11 -12.941 3.516 -16.470 1.00 90.02 O ATOM 131 CB VAL A 11 -11.621 3.870 -19.251 1.00 86.28 C ATOM 132 CG1 VAL A 11 -10.548 3.285 -20.162 1.00 83.34 C ATOM 133 CG2 VAL A 11 -12.396 4.979 -19.950 1.00 88.87 C ATOM 134 H VAL A 11 -13.379 2.401 -20.684 1.00 0.00 H ATOM 135 N LYS A 12 -14.689 3.658 -17.860 1.00 90.90 N ATOM 136 CA LYS A 12 -15.577 4.270 -16.852 1.00 93.60 C ATOM 137 C LYS A 12 -15.702 3.357 -15.637 1.00 92.54 C ATOM 138 O LYS A 12 -16.095 2.195 -15.765 1.00 91.77 O ATOM 139 CB LYS A 12 -16.968 4.560 -17.418 1.00 96.58 C ATOM 140 CG LYS A 12 -16.985 5.715 -18.395 1.00 98.43 C ATOM 141 CD LYS A 12 -18.247 5.724 -19.248 1.00101.00 C ATOM 142 CE LYS A 12 -18.139 6.731 -20.380 1.00102.35 C ATOM 143 NZ LYS A 12 -19.485 7.194 -20.820 1.00106.33 N ATOM 144 HZ1 LYS A 12 -20.039 6.379 -21.152 1.00 0.00 H ATOM 145 HZ2 LYS A 12 -19.974 7.644 -20.020 1.00 0.00 H ATOM 146 HZ3 LYS A 12 -19.378 7.881 -21.594 1.00 0.00 H ATOM 147 H LYS A 12 -15.060 3.465 -18.812 1.00 0.00 H ATOM 148 N ASN A 13 -15.309 3.888 -14.476 1.00 92.00 N ATOM 149 CA ASN A 13 -15.309 3.173 -13.202 1.00 91.29 C ATOM 150 C ASN A 13 -14.356 1.981 -13.064 1.00 86.85 C ATOM 151 O ASN A 13 -14.348 1.345 -12.030 1.00 87.34 O ATOM 152 CB ASN A 13 -16.732 2.747 -12.816 1.00 94.23 C ATOM 153 CG ASN A 13 -17.687 3.919 -12.684 1.00 98.50 C ATOM 154 OD1 ASN A 13 -18.896 3.755 -12.864 1.00101.03 O ATOM 155 ND2 ASN A 13 -17.159 5.113 -12.411 1.00 99.71 N ATOM 156 HD22 ASN A 13 -16.133 5.207 -12.266 1.00 0.00 H ATOM 157 HD21 ASN A 13 -17.773 5.950 -12.343 1.00 0.00 H ATOM 158 H ASN A 13 -14.982 4.875 -14.479 1.00 0.00 H ATOM 159 N TYR A 14 -13.533 1.679 -14.063 1.00 83.03 N ATOM 160 CA TYR A 14 -12.614 0.543 -13.962 1.00 79.55 C ATOM 161 C TYR A 14 -11.381 0.974 -13.186 1.00 78.78 C ATOM 162 O TYR A 14 -10.768 1.981 -13.519 1.00 79.30 O ATOM 163 CB TYR A 14 -12.221 0.023 -15.343 1.00 76.73 C ATOM 164 CG TYR A 14 -11.482 -1.296 -15.316 1.00 73.48 C ATOM 165 CD1 TYR A 14 -12.158 -2.507 -15.179 1.00 73.33 C ATOM 166 CD2 TYR A 14 -10.107 -1.325 -15.426 1.00 70.94 C ATOM 167 CE1 TYR A 14 -11.471 -3.705 -15.129 1.00 71.13 C ATOM 168 CE2 TYR A 14 -9.399 -2.532 -15.414 1.00 68.53 C ATOM 169 CZ TYR A 14 -10.079 -3.724 -15.249 1.00 68.64 C ATOM 170 OH TYR A 14 -9.400 -4.925 -15.218 1.00 66.46 O ATOM 171 HH TYR A 14 -10.046 -5.665 -15.093 1.00 0.00 H ATOM 172 H TYR A 14 -13.542 2.257 -14.928 1.00 0.00 H ATOM 173 N ASN A 15 -11.040 0.230 -12.140 1.00 78.22 N ATOM 174 CA ASN A 15 -9.841 0.481 -11.349 1.00 77.68 C ATOM 175 C ASN A 15 -8.987 -0.773 -11.426 1.00 74.60 C ATOM 176 O ASN A 15 -9.322 -1.768 -10.795 1.00 74.19 O ATOM 177 CB ASN A 15 -10.221 0.821 -9.892 1.00 80.76 C ATOM 178 CG ASN A 15 -9.015 1.041 -8.993 1.00 80.51 C ATOM 179 OD1 ASN A 15 -7.917 0.556 -9.254 1.00 78.31 O ATOM 180 ND2 ASN A 15 -9.231 1.743 -7.893 1.00 83.21 N ATOM 181 HD22 ASN A 15 -10.174 2.139 -7.705 1.00 0.00 H ATOM 182 HD21 ASN A 15 -8.457 1.899 -7.216 1.00 0.00 H ATOM 183 H ASN A 15 -11.654 -0.566 -11.874 1.00 0.00 H ATOM 184 N PRO A 16 -7.866 -0.723 -12.170 1.00 72.57 N ATOM 185 CA PRO A 16 -7.020 -1.920 -12.360 1.00 70.23 C ATOM 186 C PRO A 16 -6.180 -2.344 -11.161 1.00 70.39 C ATOM 187 O PRO A 16 -5.466 -3.342 -11.264 1.00 68.32 O ATOM 188 CB PRO A 16 -6.108 -1.526 -13.535 1.00 68.23 C ATOM 189 CG PRO A 16 -6.033 -0.057 -13.461 1.00 69.83 C ATOM 190 CD PRO A 16 -7.338 0.439 -12.907 1.00 72.56 C ATOM 191 N ASP A 17 -6.231 -1.596 -10.056 1.00 73.29 N ATOM 192 CA ASP A 17 -5.581 -2.028 -8.811 1.00 74.30 C ATOM 193 C ASP A 17 -6.478 -2.947 -7.959 1.00 75.91 C ATOM 194 O ASP A 17 -5.994 -3.536 -6.989 1.00 76.32 O ATOM 195 CB ASP A 17 -5.104 -0.824 -7.983 1.00 76.80 C ATOM 196 CG ASP A 17 -3.954 -0.045 -8.652 1.00 75.86 C ATOM 197 OD1 ASP A 17 -3.204 -0.608 -9.487 1.00 72.50 O ATOM 198 OD2 ASP A 17 -3.817 1.162 -8.320 1.00 78.77 O ATOM 199 H ASP A 17 -6.741 -0.690 -10.077 1.00 0.00 H ATOM 200 N VAL A 18 -7.758 -3.081 -8.321 1.00 77.68 N ATOM 201 CA VAL A 18 -8.692 -3.956 -7.608 1.00 80.02 C ATOM 202 C VAL A 18 -8.909 -5.288 -8.346 1.00 79.13 C ATOM 203 O VAL A 18 -9.261 -5.307 -9.536 1.00 78.37 O ATOM 204 CB VAL A 18 -10.046 -3.252 -7.384 1.00 83.10 C ATOM 205 CG1 VAL A 18 -11.038 -4.168 -6.668 1.00 85.31 C ATOM 206 CG2 VAL A 18 -9.835 -1.961 -6.599 1.00 85.57 C ATOM 207 H VAL A 18 -8.104 -2.543 -9.141 1.00 0.00 H ATOM 208 N ILE A 19 -8.680 -6.389 -7.626 1.00 79.80 N ATOM 209 CA ILE A 19 -8.982 -7.740 -8.115 1.00 79.03 C ATOM 210 C ILE A 19 -10.489 -7.866 -8.388 1.00 81.35 C ATOM 211 O ILE A 19 -11.293 -7.475 -7.530 1.00 83.80 O ATOM 212 CB ILE A 19 -8.505 -8.819 -7.108 1.00 79.20 C ATOM 213 CG1 ILE A 19 -8.602 -10.213 -7.728 1.00 78.25 C ATOM 214 CG2 ILE A 19 -9.301 -8.789 -5.808 1.00 82.70 C ATOM 215 CD1 ILE A 19 -7.944 -11.291 -6.890 1.00 78.49 C ATOM 216 H ILE A 19 -8.269 -6.285 -6.676 1.00 0.00 H ATOM 217 N PRO A 20 -10.875 -8.394 -9.584 1.00 80.76 N ATOM 218 CA PRO A 20 -12.286 -8.396 -10.001 1.00 82.93 C ATOM 219 C PRO A 20 -13.070 -9.633 -9.524 1.00 85.27 C ATOM 220 O PRO A 20 -13.577 -10.413 -10.340 1.00 84.61 O ATOM 221 CB PRO A 20 -12.166 -8.361 -11.525 1.00 80.68 C ATOM 222 CG PRO A 20 -10.975 -9.215 -11.793 1.00 77.71 C ATOM 223 CD PRO A 20 -10.016 -8.921 -10.669 1.00 77.41 C ATOM 224 N THR A 21 -13.177 -9.792 -8.204 1.00 87.90 N ATOM 225 CA THR A 21 -13.960 -10.862 -7.601 1.00 90.26 C ATOM 226 C THR A 21 -15.426 -10.460 -7.561 1.00 94.72 C ATOM 227 O THR A 21 -15.776 -9.312 -7.864 1.00 94.45 O ATOM 228 CB THR A 21 -13.477 -11.150 -6.178 1.00 90.81 C ATOM 229 OG1 THR A 21 -13.415 -9.921 -5.447 1.00 91.63 O ATOM 230 CG2 THR A 21 -12.095 -11.794 -6.207 1.00 88.24 C ATOM 231 HG1 THR A 21 -13.103 -10.102 -4.525 1.00 0.00 H ATOM 232 H THR A 21 -12.681 -9.124 -7.580 1.00 0.00 H ATOM 233 N GLN A 22 -16.274 -11.416 -7.193 1.00 99.53 N ATOM 234 CA GLN A 22 -17.739 -11.242 -7.228 1.00104.86 C ATOM 235 C GLN A 22 -18.421 -12.190 -6.228 1.00108.77 C ATOM 236 O GLN A 22 -18.059 -13.368 -6.161 1.00108.51 O ATOM 237 CB GLN A 22 -18.266 -11.470 -8.648 1.00104.68 C ATOM 238 CG GLN A 22 -17.630 -12.662 -9.367 1.00102.92 C ATOM 239 CD GLN A 22 -18.084 -12.834 -10.808 1.00102.74 C ATOM 240 OE1 GLN A 22 -19.186 -12.418 -11.191 1.00104.91 O ATOM 241 NE2 GLN A 22 -17.215 -13.411 -11.632 1.00 99.28 N ATOM 242 HE22 GLN A 22 -16.300 -13.747 -11.270 1.00 0.00 H ATOM 243 HE21 GLN A 22 -17.451 -13.527 -12.638 1.00 0.00 H ATOM 244 H GLN A 22 -15.888 -12.325 -6.867 1.00 0.00 H ATOM 245 N ARG A 23 -19.368 -11.654 -5.445 1.00112.44 N ATOM 246 CA ARG A 23 -20.027 -12.367 -4.326 1.00116.64 C ATOM 247 C ARG A 23 -19.001 -13.174 -3.491 1.00115.94 C ATOM 248 O ARG A 23 -18.144 -12.574 -2.860 1.00114.91 O ATOM 249 CB ARG A 23 -21.235 -13.193 -4.817 1.00119.46 C ATOM 250 CG ARG A 23 -22.156 -13.679 -3.671 1.00125.13 C ATOM 251 CD ARG A 23 -23.160 -14.753 -4.077 1.00128.36 C ATOM 252 NE ARG A 23 -24.508 -14.562 -3.496 1.00133.45 N ATOM 253 CZ ARG A 23 -24.883 -14.820 -2.235 1.00136.78 C ATOM 254 NH1 ARG A 23 -24.017 -15.266 -1.328 1.00135.76 N ATOM 255 NH2 ARG A 23 -26.144 -14.601 -1.870 1.00141.68 N ATOM 256 HE ARG A 23 -25.241 -14.189 -4.133 1.00 0.00 H ATOM 257 HH12 ARG A 23 -24.334 -15.458 -0.356 1.00 0.00 H ATOM 258 HH11 ARG A 23 -23.023 -15.422 -1.591 1.00 0.00 H ATOM 259 HH22 ARG A 23 -26.445 -14.798 -0.894 1.00 0.00 H ATOM 260 HH21 ARG A 23 -26.829 -14.233 -2.561 1.00 0.00 H ATOM 261 H ARG A 23 -19.659 -10.674 -5.635 1.00 0.00 H ATOM 262 N ASP A 24 -19.082 -14.507 -3.491 1.00117.34 N ATOM 263 CA ASP A 24 -18.037 -15.352 -2.907 1.00117.29 C ATOM 264 C ASP A 24 -17.594 -16.335 -3.986 1.00114.37 C ATOM 265 O ASP A 24 -17.692 -17.554 -3.842 1.00116.84 O ATOM 266 CB ASP A 24 -18.460 -16.032 -1.583 1.00122.52 C ATOM 267 CG ASP A 24 -19.876 -16.618 -1.610 1.00127.13 C ATOM 268 OD1 ASP A 24 -20.502 -16.688 -2.691 1.00128.01 O ATOM 269 OD2 ASP A 24 -20.362 -17.004 -0.519 1.00130.76 O ATOM 270 H ASP A 24 -19.914 -14.960 -3.920 1.00 0.00 H ATOM 271 N ARG A 25 -17.124 -15.751 -5.088 1.00109.44 N ATOM 272 CA ARG A 25 -16.461 -16.467 -6.157 1.00105.93 C ATOM 273 C ARG A 25 -15.072 -15.888 -6.295 1.00101.20 C ATOM 274 O ARG A 25 -14.932 -14.670 -6.458 1.00100.27 O ATOM 275 CB ARG A 25 -17.200 -16.259 -7.475 1.00106.56 C ATOM 276 CG ARG A 25 -18.621 -16.807 -7.498 1.00111.32 C ATOM 277 CD ARG A 25 -19.442 -16.064 -8.529 1.00111.75 C ATOM 278 NE ARG A 25 -20.600 -16.835 -8.987 1.00114.67 N ATOM 279 CZ ARG A 25 -21.461 -16.431 -9.911 1.00115.02 C ATOM 280 NH1 ARG A 25 -21.340 -15.238 -10.516 1.00112.32 N ATOM 281 NH2 ARG A 25 -22.488 -17.230 -10.239 1.00118.03 N ATOM 282 HE ARG A 25 -20.759 -17.768 -8.556 1.00 0.00 H ATOM 283 HH12 ARG A 25 -22.031 -14.948 -11.237 1.00 0.00 H ATOM 284 HH11 ARG A 25 -20.555 -14.604 -10.263 1.00 0.00 H ATOM 285 HH22 ARG A 25 -23.172 -16.928 -10.962 1.00 0.00 H ATOM 286 HH21 ARG A 25 -22.600 -18.152 -9.770 1.00 0.00 H ATOM 287 H ARG A 25 -17.240 -14.722 -5.185 1.00 0.00 H ATOM 288 N PRO A 26 -14.028 -16.734 -6.224 1.00 98.52 N ATOM 289 CA PRO A 26 -12.700 -16.224 -6.562 1.00 95.13 C ATOM 290 C PRO A 26 -12.558 -15.899 -8.053 1.00 92.74 C ATOM 291 O PRO A 26 -13.459 -16.193 -8.847 1.00 94.28 O ATOM 292 CB PRO A 26 -11.769 -17.387 -6.186 1.00 94.15 C ATOM 293 CG PRO A 26 -12.627 -18.591 -6.219 1.00 96.69 C ATOM 294 CD PRO A 26 -13.970 -18.126 -5.744 1.00 99.76 C ATOM 295 N VAL A 27 -11.447 -15.261 -8.411 1.00 89.11 N ATOM 296 CA VAL A 27 -11.031 -15.170 -9.802 1.00 86.06 C ATOM 297 C VAL A 27 -10.175 -16.397 -10.048 1.00 84.54 C ATOM 298 O VAL A 27 -9.174 -16.591 -9.363 1.00 86.33 O ATOM 299 CB VAL A 27 -10.196 -13.902 -10.097 1.00 83.64 C ATOM 300 CG1 VAL A 27 -9.648 -13.933 -11.532 1.00 80.89 C ATOM 301 CG2 VAL A 27 -11.034 -12.640 -9.865 1.00 85.20 C ATOM 302 H VAL A 27 -10.860 -14.815 -7.677 1.00 0.00 H ATOM 303 N THR A 28 -10.570 -17.229 -11.006 1.00 81.92 N ATOM 304 CA THR A 28 -9.773 -18.387 -11.371 1.00 78.74 C ATOM 305 C THR A 28 -8.765 -17.976 -12.429 1.00 74.22 C ATOM 306 O THR A 28 -9.126 -17.353 -13.431 1.00 73.65 O ATOM 307 CB THR A 28 -10.656 -19.533 -11.878 1.00 80.71 C ATOM 308 OG1 THR A 28 -11.677 -19.786 -10.908 1.00 84.23 O ATOM 309 CG2 THR A 28 -9.839 -20.813 -12.103 1.00 80.18 C ATOM 310 HG1 THR A 28 -12.255 -20.525 -11.224 1.00 0.00 H ATOM 311 H THR A 28 -11.465 -17.048 -11.503 1.00 0.00 H ATOM 312 N VAL A 29 -7.503 -18.311 -12.187 1.00 71.59 N ATOM 313 CA VAL A 29 -6.424 -18.001 -13.104 1.00 68.57 C ATOM 314 C VAL A 29 -5.805 -19.311 -13.553 1.00 68.01 C ATOM 315 O VAL A 29 -5.259 -20.068 -12.720 1.00 68.62 O ATOM 316 CB VAL A 29 -5.353 -17.134 -12.429 1.00 67.01 C ATOM 317 CG1 VAL A 29 -4.176 -16.901 -13.375 1.00 64.59 C ATOM 318 CG2 VAL A 29 -5.969 -15.816 -11.968 1.00 67.84 C ATOM 319 H VAL A 29 -7.280 -18.815 -11.305 1.00 0.00 H ATOM 320 N TYR A 30 -5.899 -19.579 -14.859 1.00 66.69 N ATOM 321 CA TYR A 30 -5.294 -20.773 -15.430 1.00 65.99 C ATOM 322 C TYR A 30 -3.868 -20.435 -15.856 1.00 63.26 C ATOM 323 O TYR A 30 -3.649 -19.454 -16.569 1.00 60.63 O ATOM 324 CB TYR A 30 -6.107 -21.326 -16.599 1.00 67.18 C ATOM 325 CG TYR A 30 -7.557 -21.656 -16.258 1.00 69.73 C ATOM 326 CD1 TYR A 30 -8.535 -20.674 -16.344 1.00 70.34 C ATOM 327 CD2 TYR A 30 -7.955 -22.946 -15.885 1.00 71.69 C ATOM 328 CE1 TYR A 30 -9.870 -20.956 -16.070 1.00 73.03 C ATOM 329 CE2 TYR A 30 -9.278 -23.233 -15.591 1.00 74.65 C ATOM 330 CZ TYR A 30 -10.234 -22.232 -15.683 1.00 75.11 C ATOM 331 OH TYR A 30 -11.557 -22.486 -15.391 1.00 78.15 O ATOM 332 HH TYR A 30 -12.085 -21.658 -15.512 1.00 0.00 H ATOM 333 H TYR A 30 -6.414 -18.922 -15.479 1.00 0.00 H ATOM 334 N PHE A 31 -2.906 -21.234 -15.396 1.00 64.24 N ATOM 335 CA PHE A 31 -1.488 -20.927 -15.557 1.00 63.43 C ATOM 336 C PHE A 31 -0.750 -22.108 -16.156 1.00 65.42 C ATOM 337 O PHE A 31 -0.913 -23.242 -15.709 1.00 66.57 O ATOM 338 CB PHE A 31 -0.856 -20.613 -14.200 1.00 63.16 C ATOM 339 CG PHE A 31 0.578 -20.168 -14.295 1.00 61.15 C ATOM 340 CD1 PHE A 31 1.605 -21.094 -14.483 1.00 61.14 C ATOM 341 CD2 PHE A 31 0.917 -18.836 -14.175 1.00 59.74 C ATOM 342 CE1 PHE A 31 2.924 -20.704 -14.568 1.00 59.81 C ATOM 343 CE2 PHE A 31 2.247 -18.424 -14.249 1.00 58.47 C ATOM 344 CZ PHE A 31 3.247 -19.375 -14.420 1.00 58.28 C ATOM 345 H PHE A 31 -3.176 -22.109 -14.904 1.00 0.00 H ATOM 346 N SER A 32 0.124 -21.816 -17.112 1.00 66.73 N ATOM 347 CA SER A 32 0.887 -22.831 -17.807 1.00 68.35 C ATOM 348 C SER A 32 2.161 -22.224 -18.373 1.00 67.08 C ATOM 349 O SER A 32 2.344 -21.008 -18.338 1.00 66.36 O ATOM 350 CB SER A 32 0.043 -23.406 -18.934 1.00 70.92 C ATOM 351 OG SER A 32 0.662 -24.550 -19.458 1.00 74.67 O ATOM 352 HG SER A 32 0.759 -25.228 -18.743 1.00 0.00 H ATOM 353 H SER A 32 0.266 -20.819 -17.372 1.00 0.00 H ATOM 354 N LEU A 33 3.006 -23.071 -18.947 1.00 68.55 N ATOM 355 CA LEU A 33 4.351 -22.690 -19.322 1.00 68.50 C ATOM 356 C LEU A 33 4.871 -23.485 -20.516 1.00 67.97 C ATOM 357 O LEU A 33 4.531 -24.661 -20.657 1.00 73.96 O ATOM 358 CB LEU A 33 5.238 -22.956 -18.115 1.00 69.68 C ATOM 359 CG LEU A 33 6.727 -22.659 -18.215 1.00 71.93 C ATOM 360 CD1 LEU A 33 7.153 -22.098 -16.849 1.00 77.03 C ATOM 361 CD2 LEU A 33 7.545 -23.903 -18.572 1.00 71.72 C ATOM 362 H LEU A 33 2.690 -24.044 -19.134 1.00 0.00 H ATOM 363 N SER A 34 5.691 -22.869 -21.372 1.00 62.14 N ATOM 364 CA SER A 34 6.529 -23.615 -22.312 1.00 60.02 C ATOM 365 C SER A 34 8.011 -23.233 -22.171 1.00 58.41 C ATOM 366 O SER A 34 8.353 -22.064 -22.301 1.00 58.88 O ATOM 367 CB SER A 34 6.085 -23.370 -23.744 1.00 59.33 C ATOM 368 OG SER A 34 6.869 -24.170 -24.653 1.00 60.33 O ATOM 369 HG SER A 34 6.749 -25.128 -24.435 1.00 0.00 H ATOM 370 H SER A 34 5.735 -21.830 -21.370 1.00 0.00 H ATOM 371 N LEU A 35 8.871 -24.210 -21.884 1.00 57.78 N ATOM 372 CA LEU A 35 10.318 -24.008 -21.858 1.00 56.78 C ATOM 373 C LEU A 35 10.844 -23.896 -23.273 1.00 56.62 C ATOM 374 O LEU A 35 10.695 -24.844 -24.054 1.00 57.79 O ATOM 375 CB LEU A 35 11.028 -25.170 -21.151 1.00 57.49 C ATOM 376 CG LEU A 35 12.569 -25.159 -21.161 1.00 57.99 C ATOM 377 CD1 LEU A 35 13.146 -23.960 -20.400 1.00 57.16 C ATOM 378 CD2 LEU A 35 13.114 -26.481 -20.592 1.00 59.94 C ATOM 379 H LEU A 35 8.496 -25.156 -21.669 1.00 0.00 H ATOM 380 N LEU A 36 11.461 -22.759 -23.601 1.00 56.08 N ATOM 381 CA LEU A 36 11.938 -22.514 -24.975 1.00 56.98 C ATOM 382 C LEU A 36 13.433 -22.810 -25.108 1.00 58.13 C ATOM 383 O LEU A 36 13.857 -23.455 -26.075 1.00 59.30 O ATOM 384 CB LEU A 36 11.602 -21.081 -25.447 1.00 55.23 C ATOM 385 CG LEU A 36 10.108 -20.652 -25.480 1.00 54.14 C ATOM 386 CD1 LEU A 36 9.903 -19.307 -26.158 1.00 53.14 C ATOM 387 CD2 LEU A 36 9.229 -21.670 -26.204 1.00 55.33 C ATOM 388 H LEU A 36 11.608 -22.031 -22.873 1.00 0.00 H ATOM 389 N GLN A 37 14.236 -22.344 -24.154 1.00 58.59 N ATOM 390 CA GLN A 37 15.682 -22.585 -24.199 1.00 60.68 C ATOM 391 C GLN A 37 16.355 -22.484 -22.843 1.00 61.59 C ATOM 392 O GLN A 37 15.974 -21.637 -22.035 1.00 60.61 O ATOM 393 CB GLN A 37 16.348 -21.591 -25.160 1.00 60.60 C ATOM 394 CG GLN A 37 17.729 -22.038 -25.642 1.00 62.48 C ATOM 395 CD GLN A 37 18.343 -21.071 -26.643 1.00 62.80 C ATOM 396 OE1 GLN A 37 17.632 -20.313 -27.353 1.00 61.42 O ATOM 397 NE2 GLN A 37 19.679 -21.088 -26.712 1.00 63.44 N ATOM 398 HE22 GLN A 37 20.223 -21.733 -26.104 1.00 0.00 H ATOM 399 HE21 GLN A 37 20.174 -20.456 -27.374 1.00 0.00 H ATOM 400 H GLN A 37 13.832 -21.801 -23.365 1.00 0.00 H ATOM 401 N ILE A 38 17.349 -23.342 -22.617 1.00 63.35 N ATOM 402 CA ILE A 38 18.278 -23.191 -21.503 1.00 64.01 C ATOM 403 C ILE A 38 19.528 -22.552 -22.089 1.00 65.54 C ATOM 404 O ILE A 38 20.177 -23.138 -22.942 1.00 68.08 O ATOM 405 CB ILE A 38 18.646 -24.528 -20.845 1.00 64.56 C ATOM 406 CG1 ILE A 38 17.377 -25.225 -20.339 1.00 63.55 C ATOM 407 CG2 ILE A 38 19.642 -24.313 -19.704 1.00 64.89 C ATOM 408 CD1 ILE A 38 17.617 -26.667 -19.897 1.00 64.96 C ATOM 409 H ILE A 38 17.467 -24.151 -23.260 1.00 0.00 H ATOM 410 N MET A 39 19.850 -21.344 -21.632 1.00 64.89 N ATOM 411 CA MET A 39 20.890 -20.519 -22.252 1.00 65.50 C ATOM 412 C MET A 39 22.279 -20.797 -21.679 1.00 65.28 C ATOM 413 O MET A 39 23.263 -20.898 -22.410 1.00 64.95 O ATOM 414 CB MET A 39 20.557 -19.046 -22.049 1.00 66.92 C ATOM 415 CG MET A 39 19.236 -18.565 -22.641 1.00 66.68 C ATOM 416 SD MET A 39 19.138 -18.523 -24.413 1.00 66.97 S ATOM 417 CE MET A 39 20.819 -18.145 -24.948 1.00 68.02 C ATOM 418 H MET A 39 19.344 -20.972 -20.803 1.00 0.00 H ATOM 419 N ASP A 40 22.354 -20.887 -20.359 1.00 64.91 N ATOM 420 CA ASP A 40 23.612 -21.133 -19.673 1.00 67.09 C ATOM 421 C ASP A 40 23.357 -21.657 -18.268 1.00 67.59 C ATOM 422 O ASP A 40 22.250 -21.496 -17.728 1.00 67.13 O ATOM 423 CB ASP A 40 24.450 -19.852 -19.624 1.00 67.93 C ATOM 424 CG ASP A 40 25.911 -20.104 -19.278 1.00 70.63 C ATOM 425 OD1 ASP A 40 26.497 -21.073 -19.775 1.00 72.58 O ATOM 426 OD2 ASP A 40 26.496 -19.323 -18.514 1.00 72.31 O ATOM 427 H ASP A 40 21.486 -20.778 -19.796 1.00 0.00 H ATOM 428 N VAL A 41 24.383 -22.297 -17.708 1.00 69.36 N ATOM 429 CA VAL A 41 24.382 -22.712 -16.312 1.00 71.33 C ATOM 430 C VAL A 41 25.678 -22.226 -15.635 1.00 72.89 C ATOM 431 O VAL A 41 26.768 -22.345 -16.210 1.00 74.33 O ATOM 432 CB VAL A 41 24.215 -24.246 -16.144 1.00 73.14 C ATOM 433 CG1 VAL A 41 22.822 -24.688 -16.589 1.00 72.06 C ATOM 434 CG2 VAL A 41 25.316 -25.027 -16.850 1.00 75.53 C ATOM 435 H VAL A 41 25.218 -22.509 -18.291 1.00 0.00 H ATOM 436 N ASP A 42 25.537 -21.660 -14.433 1.00 71.96 N ATOM 437 CA ASP A 42 26.666 -21.244 -13.611 1.00 72.91 C ATOM 438 C ASP A 42 26.851 -22.293 -12.524 1.00 74.69 C ATOM 439 O ASP A 42 26.091 -22.333 -11.563 1.00 73.99 O ATOM 440 CB ASP A 42 26.397 -19.853 -13.012 1.00 71.90 C ATOM 441 CG ASP A 42 27.648 -19.190 -12.456 1.00 73.65 C ATOM 442 OD1 ASP A 42 28.534 -19.884 -11.945 1.00 74.58 O ATOM 443 OD2 ASP A 42 27.728 -17.948 -12.494 1.00 73.68 O ATOM 444 H ASP A 42 24.575 -21.509 -14.066 1.00 0.00 H ATOM 445 N GLU A 43 27.852 -23.157 -12.696 1.00 77.02 N ATOM 446 CA GLU A 43 28.104 -24.252 -11.740 1.00 78.41 C ATOM 447 C GLU A 43 28.652 -23.763 -10.400 1.00 79.22 C ATOM 448 O GLU A 43 28.342 -24.350 -9.370 1.00 79.90 O ATOM 449 CB GLU A 43 29.000 -25.327 -12.352 1.00 80.68 C ATOM 450 CG GLU A 43 28.199 -26.275 -13.254 1.00 80.24 C ATOM 451 CD GLU A 43 29.058 -27.103 -14.189 1.00 82.36 C ATOM 452 OE1 GLU A 43 29.952 -27.850 -13.704 1.00 84.43 O ATOM 453 OE2 GLU A 43 28.772 -27.047 -15.420 1.00 81.09 O ATOM 454 H GLU A 43 28.471 -23.056 -13.526 1.00 0.00 H ATOM 455 N LYS A 44 29.444 -22.694 -10.421 1.00 78.66 N ATOM 456 CA LYS A 44 30.009 -22.120 -9.188 1.00 79.70 C ATOM 457 C LYS A 44 28.960 -21.401 -8.337 1.00 77.71 C ATOM 458 O LYS A 44 28.938 -21.582 -7.128 1.00 79.82 O ATOM 459 CB LYS A 44 31.165 -21.169 -9.502 1.00 81.12 C ATOM 460 CG LYS A 44 31.988 -20.744 -8.295 1.00 84.18 C ATOM 461 CD LYS A 44 33.072 -19.739 -8.650 1.00 86.15 C ATOM 462 CE LYS A 44 34.453 -20.378 -8.838 1.00 89.47 C ATOM 463 NZ LYS A 44 35.489 -19.357 -9.153 1.00 91.80 N ATOM 464 HZ1 LYS A 44 35.232 -18.864 -10.032 1.00 0.00 H ATOM 465 HZ2 LYS A 44 35.547 -18.671 -8.373 1.00 0.00 H ATOM 466 HZ3 LYS A 44 36.410 -19.825 -9.274 1.00 0.00 H ATOM 467 H LYS A 44 29.671 -22.251 -11.334 1.00 0.00 H ATOM 468 N ASN A 45 28.114 -20.582 -8.959 1.00 74.44 N ATOM 469 CA ASN A 45 27.091 -19.812 -8.236 1.00 73.25 C ATOM 470 C ASN A 45 25.709 -20.489 -8.134 1.00 70.80 C ATOM 471 O ASN A 45 24.796 -19.915 -7.542 1.00 69.62 O ATOM 472 CB ASN A 45 26.951 -18.408 -8.845 1.00 72.55 C ATOM 473 CG ASN A 45 28.214 -17.565 -8.696 1.00 75.61 C ATOM 474 OD1 ASN A 45 28.973 -17.700 -7.727 1.00 79.24 O ATOM 475 ND2 ASN A 45 28.444 -16.680 -9.663 1.00 75.04 N ATOM 476 HD22 ASN A 45 27.782 -16.597 -10.461 1.00 0.00 H ATOM 477 HD21 ASN A 45 29.286 -16.071 -9.621 1.00 0.00 H ATOM 478 H ASN A 45 28.179 -20.484 -9.992 1.00 0.00 H ATOM 479 N GLN A 46 25.563 -21.687 -8.703 1.00 70.31 N ATOM 480 CA GLN A 46 24.296 -22.472 -8.693 1.00 69.35 C ATOM 481 C GLN A 46 23.083 -21.714 -9.273 1.00 66.70 C ATOM 482 O GLN A 46 22.044 -21.563 -8.625 1.00 65.87 O ATOM 483 CB GLN A 46 24.006 -23.041 -7.300 1.00 71.35 C ATOM 484 CG GLN A 46 25.105 -23.926 -6.720 1.00 74.54 C ATOM 485 CD GLN A 46 25.021 -25.392 -7.152 1.00 75.38 C ATOM 486 OE1 GLN A 46 24.941 -25.706 -8.348 1.00 73.22 O ATOM 487 NE2 GLN A 46 25.072 -26.302 -6.168 1.00 78.39 N ATOM 488 HE22 GLN A 46 25.139 -25.993 -5.177 1.00 0.00 H ATOM 489 HE21 GLN A 46 25.045 -27.316 -6.396 1.00 0.00 H ATOM 490 H GLN A 46 26.387 -22.100 -9.185 1.00 0.00 H ATOM 491 N VAL A 47 23.252 -21.277 -10.522 1.00 65.14 N ATOM 492 CA VAL A 47 22.273 -20.463 -11.228 1.00 62.74 C ATOM 493 C VAL A 47 22.006 -21.041 -12.609 1.00 61.64 C ATOM 494 O VAL A 47 22.914 -21.567 -13.250 1.00 62.03 O ATOM 495 CB VAL A 47 22.767 -19.014 -11.402 1.00 62.54 C ATOM 496 CG1 VAL A 47 21.671 -18.144 -12.010 1.00 60.78 C ATOM 497 CG2 VAL A 47 23.210 -18.435 -10.078 1.00 64.57 C ATOM 498 H VAL A 47 24.130 -21.531 -11.018 1.00 0.00 H ATOM 499 N VAL A 48 20.760 -20.899 -13.055 1.00 60.53 N ATOM 500 CA VAL A 48 20.331 -21.324 -14.376 1.00 60.03 C ATOM 501 C VAL A 48 19.702 -20.125 -15.096 1.00 59.36 C ATOM 502 O VAL A 48 18.943 -19.360 -14.481 1.00 58.92 O ATOM 503 CB VAL A 48 19.299 -22.463 -14.290 1.00 59.92 C ATOM 504 CG1 VAL A 48 18.904 -22.933 -15.685 1.00 59.16 C ATOM 505 CG2 VAL A 48 19.859 -23.635 -13.503 1.00 62.10 C ATOM 506 H VAL A 48 20.058 -20.461 -12.425 1.00 0.00 H ATOM 507 N ASP A 49 20.022 -19.999 -16.393 1.00 59.75 N ATOM 508 CA ASP A 49 19.536 -18.932 -17.284 1.00 58.76 C ATOM 509 C ASP A 49 18.648 -19.536 -18.350 1.00 57.17 C ATOM 510 O ASP A 49 19.117 -20.381 -19.118 1.00 58.95 O ATOM 511 CB ASP A 49 20.744 -18.235 -17.958 1.00 60.58 C ATOM 512 CG ASP A 49 20.380 -16.924 -18.680 1.00 60.10 C ATOM 513 OD1 ASP A 49 19.196 -16.734 -19.044 1.00 60.36 O ATOM 514 OD2 ASP A 49 21.292 -16.083 -18.882 1.00 60.45 O ATOM 515 H ASP A 49 20.663 -20.710 -16.800 1.00 0.00 H ATOM 516 N VAL A 50 17.393 -19.092 -18.421 1.00 55.74 N ATOM 517 CA VAL A 50 16.401 -19.654 -19.360 1.00 55.83 C ATOM 518 C VAL A 50 15.553 -18.626 -20.095 1.00 55.05 C ATOM 519 O VAL A 50 15.442 -17.476 -19.663 1.00 56.13 O ATOM 520 CB VAL A 50 15.407 -20.608 -18.658 1.00 55.61 C ATOM 521 CG1 VAL A 50 16.163 -21.694 -17.922 1.00 56.58 C ATOM 522 CG2 VAL A 50 14.456 -19.850 -17.732 1.00 55.38 C ATOM 523 H VAL A 50 17.101 -18.319 -17.790 1.00 0.00 H ATOM 524 N VAL A 51 14.943 -19.070 -21.195 1.00 54.70 N ATOM 525 CA VAL A 51 13.820 -18.370 -21.816 1.00 54.37 C ATOM 526 C VAL A 51 12.576 -19.238 -21.726 1.00 55.32 C ATOM 527 O VAL A 51 12.556 -20.378 -22.236 1.00 55.95 O ATOM 528 CB VAL A 51 14.046 -18.007 -23.301 1.00 53.91 C ATOM 529 CG1 VAL A 51 12.901 -17.113 -23.796 1.00 52.85 C ATOM 530 CG2 VAL A 51 15.398 -17.325 -23.503 1.00 54.12 C ATOM 531 H VAL A 51 15.281 -19.952 -21.630 1.00 0.00 H ATOM 532 N ILE A 52 11.543 -18.687 -21.085 1.00 56.00 N ATOM 533 CA ILE A 52 10.274 -19.404 -20.920 1.00 56.62 C ATOM 534 C ILE A 52 9.075 -18.552 -21.313 1.00 56.61 C ATOM 535 O ILE A 52 9.078 -17.329 -21.157 1.00 55.14 O ATOM 536 CB ILE A 52 10.066 -19.945 -19.484 1.00 57.29 C ATOM 537 CG1 ILE A 52 10.196 -18.813 -18.431 1.00 56.83 C ATOM 538 CG2 ILE A 52 11.024 -21.096 -19.191 1.00 56.80 C ATOM 539 CD1 ILE A 52 9.861 -19.277 -17.025 1.00 57.31 C ATOM 540 H ILE A 52 11.640 -17.728 -20.694 1.00 0.00 H ATOM 541 N TRP A 53 8.045 -19.237 -21.790 1.00 58.33 N ATOM 542 CA TRP A 53 6.851 -18.619 -22.326 1.00 59.49 C ATOM 543 C TRP A 53 5.685 -18.924 -21.395 1.00 59.61 C ATOM 544 O TRP A 53 5.159 -20.039 -21.413 1.00 61.65 O ATOM 545 CB TRP A 53 6.604 -19.140 -23.747 1.00 60.51 C ATOM 546 CG TRP A 53 5.521 -18.416 -24.493 1.00 62.48 C ATOM 547 CD1 TRP A 53 5.118 -17.113 -24.328 1.00 63.51 C ATOM 548 CD2 TRP A 53 4.754 -18.920 -25.584 1.00 65.18 C ATOM 549 NE1 TRP A 53 4.122 -16.796 -25.212 1.00 63.96 N ATOM 550 CE2 TRP A 53 3.882 -17.885 -26.002 1.00 65.63 C ATOM 551 CE3 TRP A 53 4.677 -20.166 -26.223 1.00 67.02 C ATOM 552 CZ2 TRP A 53 2.965 -18.055 -27.048 1.00 66.19 C ATOM 553 CZ3 TRP A 53 3.756 -20.335 -27.248 1.00 66.54 C ATOM 554 CH2 TRP A 53 2.933 -19.278 -27.666 1.00 65.70 C ATOM 555 HE1 TRP A 53 3.631 -15.881 -25.272 1.00 0.00 H ATOM 556 H TRP A 53 8.098 -20.276 -21.778 1.00 0.00 H ATOM 557 N LEU A 54 5.317 -17.936 -20.581 1.00 57.44 N ATOM 558 CA LEU A 54 4.237 -18.084 -19.606 1.00 59.10 C ATOM 559 C LEU A 54 2.896 -17.867 -20.280 1.00 59.03 C ATOM 560 O LEU A 54 2.796 -17.053 -21.199 1.00 56.22 O ATOM 561 CB LEU A 54 4.374 -17.079 -18.448 1.00 59.45 C ATOM 562 CG LEU A 54 5.728 -16.923 -17.761 1.00 58.94 C ATOM 563 CD1 LEU A 54 5.590 -15.902 -16.641 1.00 58.09 C ATOM 564 CD2 LEU A 54 6.271 -18.280 -17.314 1.00 61.13 C ATOM 565 H LEU A 54 5.816 -17.026 -20.641 1.00 0.00 H ATOM 566 N GLN A 55 1.875 -18.580 -19.798 1.00 62.01 N ATOM 567 CA GLN A 55 0.547 -18.553 -20.382 1.00 66.08 C ATOM 568 C GLN A 55 -0.511 -18.409 -19.303 1.00 65.71 C ATOM 569 O GLN A 55 -0.755 -19.337 -18.543 1.00 67.60 O ATOM 570 CB GLN A 55 0.344 -19.834 -21.180 1.00 73.08 C ATOM 571 CG GLN A 55 1.151 -19.834 -22.471 1.00 80.39 C ATOM 572 CD GLN A 55 1.454 -21.225 -23.012 1.00 88.11 C ATOM 573 OE1 GLN A 55 2.515 -21.428 -23.584 1.00 98.76 O ATOM 574 NE2 GLN A 55 0.531 -22.184 -22.841 1.00 93.08 N ATOM 575 HE22 GLN A 55 -0.359 -21.967 -22.348 1.00 0.00 H ATOM 576 HE21 GLN A 55 0.705 -23.144 -23.201 1.00 0.00 H ATOM 577 H GLN A 55 2.039 -19.182 -18.966 1.00 0.00 H ATOM 578 N MET A 56 -1.134 -17.240 -19.242 1.00 63.84 N ATOM 579 CA MET A 56 -2.105 -16.910 -18.204 1.00 64.40 C ATOM 580 C MET A 56 -3.453 -16.523 -18.790 1.00 63.81 C ATOM 581 O MET A 56 -3.541 -15.714 -19.718 1.00 61.26 O ATOM 582 CB MET A 56 -1.587 -15.755 -17.344 1.00 64.68 C ATOM 583 CG MET A 56 -0.674 -16.179 -16.243 1.00 64.97 C ATOM 584 SD MET A 56 -0.008 -14.757 -15.363 1.00 65.44 S ATOM 585 CE MET A 56 1.429 -14.500 -16.404 1.00 64.18 C ATOM 586 H MET A 56 -0.921 -16.526 -19.967 1.00 0.00 H ATOM 587 N SER A 57 -4.500 -17.074 -18.192 1.00 65.74 N ATOM 588 CA SER A 57 -5.850 -16.828 -18.624 1.00 66.97 C ATOM 589 C SER A 57 -6.753 -16.654 -17.399 1.00 69.11 C ATOM 590 O SER A 57 -6.618 -17.390 -16.408 1.00 71.43 O ATOM 591 CB SER A 57 -6.304 -18.025 -19.440 1.00 67.82 C ATOM 592 OG SER A 57 -7.561 -17.766 -19.996 1.00 70.14 O ATOM 593 HG SER A 57 -8.213 -17.596 -19.270 1.00 0.00 H ATOM 594 H SER A 57 -4.340 -17.706 -17.382 1.00 0.00 H ATOM 595 N TRP A 58 -7.658 -15.674 -17.456 1.00 67.34 N ATOM 596 CA TRP A 58 -8.652 -15.462 -16.393 1.00 67.22 C ATOM 597 C TRP A 58 -9.888 -14.743 -16.952 1.00 68.21 C ATOM 598 O TRP A 58 -9.964 -14.481 -18.148 1.00 67.50 O ATOM 599 CB TRP A 58 -8.034 -14.699 -15.209 1.00 65.42 C ATOM 600 CG TRP A 58 -7.644 -13.274 -15.509 1.00 63.28 C ATOM 601 CD1 TRP A 58 -8.404 -12.152 -15.310 1.00 64.11 C ATOM 602 CD2 TRP A 58 -6.392 -12.823 -16.027 1.00 60.32 C ATOM 603 NE1 TRP A 58 -7.699 -11.034 -15.684 1.00 62.34 N ATOM 604 CE2 TRP A 58 -6.461 -11.416 -16.124 1.00 60.06 C ATOM 605 CE3 TRP A 58 -5.212 -13.476 -16.412 1.00 58.29 C ATOM 606 CZ2 TRP A 58 -5.400 -10.648 -16.601 1.00 58.25 C ATOM 607 CZ3 TRP A 58 -4.149 -12.711 -16.887 1.00 56.37 C ATOM 608 CH2 TRP A 58 -4.253 -11.317 -16.980 1.00 56.58 C ATOM 609 HE1 TRP A 58 -8.049 -10.056 -15.640 1.00 0.00 H ATOM 610 H TRP A 58 -7.660 -15.039 -18.280 1.00 0.00 H ATOM 611 N THR A 59 -10.853 -14.451 -16.087 1.00 70.58 N ATOM 612 CA THR A 59 -12.069 -13.750 -16.471 1.00 72.94 C ATOM 613 C THR A 59 -12.327 -12.550 -15.567 1.00 74.99 C ATOM 614 O THR A 59 -12.337 -12.665 -14.340 1.00 75.69 O ATOM 615 CB THR A 59 -13.285 -14.683 -16.424 1.00 75.58 C ATOM 616 OG1 THR A 59 -13.043 -15.789 -17.284 1.00 75.21 O ATOM 617 CG2 THR A 59 -14.554 -13.970 -16.882 1.00 77.51 C ATOM 618 HG1 THR A 59 -12.904 -15.463 -18.208 1.00 0.00 H ATOM 619 H THR A 59 -10.734 -14.735 -15.094 1.00 0.00 H ATOM 620 N ASP A 60 -12.558 -11.406 -16.205 1.00 76.41 N ATOM 621 CA ASP A 60 -12.779 -10.141 -15.532 1.00 78.13 C ATOM 622 C ASP A 60 -14.189 -9.718 -15.896 1.00 82.57 C ATOM 623 O ASP A 60 -14.429 -9.216 -16.985 1.00 83.83 O ATOM 624 CB ASP A 60 -11.724 -9.143 -16.037 1.00 75.30 C ATOM 625 CG ASP A 60 -11.635 -7.874 -15.196 1.00 75.40 C ATOM 626 OD1 ASP A 60 -12.683 -7.296 -14.830 1.00 76.32 O ATOM 627 OD2 ASP A 60 -10.487 -7.439 -14.946 1.00 73.86 O ATOM 628 H ASP A 60 -12.581 -11.420 -17.245 1.00 0.00 H ATOM 629 N HIS A 61 -15.134 -9.921 -14.993 1.00 87.74 N ATOM 630 CA HIS A 61 -16.553 -9.638 -15.296 1.00 94.08 C ATOM 631 C HIS A 61 -16.857 -8.137 -15.514 1.00 95.08 C ATOM 632 O HIS A 61 -17.954 -7.799 -15.962 1.00 97.83 O ATOM 633 CB HIS A 61 -17.459 -10.262 -14.228 1.00 99.84 C ATOM 634 CG HIS A 61 -17.512 -9.480 -12.957 1.00105.50 C ATOM 635 ND1 HIS A 61 -18.534 -8.604 -12.671 1.00110.89 N ATOM 636 CD2 HIS A 61 -16.686 -9.458 -11.885 1.00109.61 C ATOM 637 CE1 HIS A 61 -18.338 -8.071 -11.478 1.00115.45 C ATOM 638 NE2 HIS A 61 -17.219 -8.569 -10.982 1.00114.44 N ATOM 639 H HIS A 61 -14.874 -10.286 -14.054 1.00 0.00 H ATOM 640 N TYR A 62 -15.899 -7.248 -15.245 1.00 92.60 N ATOM 641 CA TYR A 62 -16.025 -5.830 -15.620 1.00 92.74 C ATOM 642 C TYR A 62 -15.635 -5.496 -17.075 1.00 90.22 C ATOM 643 O TYR A 62 -15.879 -4.377 -17.526 1.00 92.07 O ATOM 644 CB TYR A 62 -15.216 -4.957 -14.661 1.00 92.94 C ATOM 645 CG TYR A 62 -15.721 -5.048 -13.246 1.00 96.02 C ATOM 646 CD1 TYR A 62 -16.911 -4.426 -12.882 1.00 99.59 C ATOM 647 CD2 TYR A 62 -15.019 -5.762 -12.269 1.00 94.58 C ATOM 648 CE1 TYR A 62 -17.387 -4.492 -11.584 1.00102.18 C ATOM 649 CE2 TYR A 62 -15.481 -5.846 -10.971 1.00 96.59 C ATOM 650 CZ TYR A 62 -16.668 -5.207 -10.626 1.00100.98 C ATOM 651 OH TYR A 62 -17.149 -5.278 -9.335 1.00104.81 O ATOM 652 HH TYR A 62 -17.996 -4.770 -9.271 1.00 0.00 H ATOM 653 H TYR A 62 -15.038 -7.566 -14.756 1.00 0.00 H ATOM 654 N LEU A 63 -15.045 -6.452 -17.801 1.00 85.74 N ATOM 655 CA LEU A 63 -14.603 -6.228 -19.181 1.00 81.94 C ATOM 656 C LEU A 63 -15.486 -6.922 -20.207 1.00 83.26 C ATOM 657 O LEU A 63 -15.000 -7.300 -21.276 1.00 82.21 O ATOM 658 CB LEU A 63 -13.164 -6.727 -19.353 1.00 77.45 C ATOM 659 CG LEU A 63 -12.076 -6.125 -18.472 1.00 75.05 C ATOM 660 CD1 LEU A 63 -10.745 -6.789 -18.767 1.00 71.76 C ATOM 661 CD2 LEU A 63 -11.998 -4.631 -18.722 1.00 75.53 C ATOM 662 H LEU A 63 -14.894 -7.387 -17.372 1.00 0.00 H ATOM 663 N GLN A 64 -16.774 -7.088 -19.910 1.00 86.39 N ATOM 664 CA GLN A 64 -17.674 -7.776 -20.841 1.00 88.77 C ATOM 665 C GLN A 64 -18.582 -6.758 -21.514 1.00 90.83 C ATOM 666 O GLN A 64 -18.870 -5.705 -20.936 1.00 92.34 O ATOM 667 CB GLN A 64 -18.459 -8.896 -20.135 1.00 91.11 C ATOM 668 CG GLN A 64 -19.459 -8.473 -19.064 1.00 93.68 C ATOM 669 CD GLN A 64 -20.078 -9.642 -18.345 1.00 95.14 C ATOM 670 OE1 GLN A 64 -20.542 -10.598 -18.960 1.00 96.87 O ATOM 671 NE2 GLN A 64 -20.123 -9.544 -17.024 1.00 95.45 N ATOM 672 HE22 GLN A 64 -19.715 -8.713 -16.550 1.00 0.00 H ATOM 673 HE21 GLN A 64 -20.566 -10.298 -16.461 1.00 0.00 H ATOM 674 H GLN A 64 -17.145 -6.726 -19.008 1.00 0.00 H ATOM 675 N TRP A 65 -18.990 -7.061 -22.748 1.00 91.41 N ATOM 676 CA TRP A 65 -19.880 -6.173 -23.519 1.00 93.57 C ATOM 677 C TRP A 65 -20.821 -6.973 -24.407 1.00 96.55 C ATOM 678 O TRP A 65 -20.565 -8.151 -24.688 1.00 96.16 O ATOM 679 CB TRP A 65 -19.069 -5.185 -24.374 1.00 91.06 C ATOM 680 CG TRP A 65 -18.299 -5.813 -25.511 1.00 87.99 C ATOM 681 CD1 TRP A 65 -18.740 -6.030 -26.789 1.00 88.68 C ATOM 682 CD2 TRP A 65 -16.953 -6.295 -25.465 1.00 83.94 C ATOM 683 NE1 TRP A 65 -17.747 -6.624 -27.540 1.00 86.21 N ATOM 684 CE2 TRP A 65 -16.641 -6.796 -26.749 1.00 83.41 C ATOM 685 CE3 TRP A 65 -15.979 -6.356 -24.460 1.00 81.12 C ATOM 686 CZ2 TRP A 65 -15.396 -7.350 -27.054 1.00 80.59 C ATOM 687 CZ3 TRP A 65 -14.746 -6.904 -24.761 1.00 78.47 C ATOM 688 CH2 TRP A 65 -14.462 -7.394 -26.050 1.00 78.23 C ATOM 689 HE1 TRP A 65 -17.825 -6.896 -28.541 1.00 0.00 H ATOM 690 H TRP A 65 -18.670 -7.952 -23.180 1.00 0.00 H ATOM 691 N ASN A 66 -21.902 -6.321 -24.845 1.00100.34 N ATOM 692 CA ASN A 66 -22.880 -6.944 -25.739 1.00104.96 C ATOM 693 C ASN A 66 -22.389 -6.815 -27.188 1.00106.69 C ATOM 694 O ASN A 66 -22.337 -5.715 -27.735 1.00108.42 O ATOM 695 CB ASN A 66 -24.264 -6.286 -25.585 1.00108.32 C ATOM 696 CG ASN A 66 -25.390 -7.143 -26.143 1.00111.23 C ATOM 697 OD1 ASN A 66 -25.229 -7.828 -27.162 1.00110.69 O ATOM 698 ND2 ASN A 66 -26.543 -7.105 -25.478 1.00114.24 N ATOM 699 HD22 ASN A 66 -26.633 -6.515 -24.626 1.00 0.00 H ATOM 700 HD21 ASN A 66 -27.354 -7.665 -25.810 1.00 0.00 H ATOM 701 H ASN A 66 -22.054 -5.338 -24.541 1.00 0.00 H ATOM 702 N VAL A 67 -22.046 -7.949 -27.804 1.00107.65 N ATOM 703 CA VAL A 67 -21.495 -7.968 -29.167 1.00106.80 C ATOM 704 C VAL A 67 -22.484 -7.474 -30.224 1.00111.74 C ATOM 705 O VAL A 67 -22.062 -7.040 -31.295 1.00113.09 O ATOM 706 CB VAL A 67 -20.944 -9.362 -29.553 1.00105.17 C ATOM 707 CG1 VAL A 67 -22.075 -10.386 -29.733 1.00108.41 C ATOM 708 CG2 VAL A 67 -20.038 -9.263 -30.784 1.00102.83 C ATOM 709 H VAL A 67 -22.173 -8.851 -27.302 1.00 0.00 H ATOM 710 N SER A 68 -23.788 -7.537 -29.925 1.00116.27 N ATOM 711 CA SER A 68 -24.800 -6.928 -30.799 1.00120.30 C ATOM 712 C SER A 68 -24.699 -5.395 -30.807 1.00119.41 C ATOM 713 O SER A 68 -24.937 -4.780 -31.842 1.00120.76 O ATOM 714 CB SER A 68 -26.218 -7.380 -30.420 1.00125.08 C ATOM 715 OG SER A 68 -26.615 -6.880 -29.156 1.00127.14 O ATOM 716 HG SER A 68 -25.990 -7.208 -28.462 1.00 0.00 H ATOM 717 H SER A 68 -24.090 -8.026 -29.058 1.00 0.00 H ATOM 718 N GLU A 69 -24.341 -4.795 -29.666 1.00118.04 N ATOM 719 CA GLU A 69 -24.113 -3.337 -29.564 1.00117.95 C ATOM 720 C GLU A 69 -22.807 -2.836 -30.208 1.00114.19 C ATOM 721 O GLU A 69 -22.714 -1.666 -30.591 1.00115.78 O ATOM 722 CB GLU A 69 -24.139 -2.882 -28.102 1.00117.83 C ATOM 723 CG GLU A 69 -25.489 -3.032 -27.416 1.00121.80 C ATOM 724 CD GLU A 69 -25.534 -2.382 -26.035 1.00122.63 C ATOM 725 OE1 GLU A 69 -24.712 -1.486 -25.729 1.00121.23 O ATOM 726 OE2 GLU A 69 -26.403 -2.779 -25.230 1.00125.11 O ATOM 727 H GLU A 69 -24.218 -5.379 -28.814 1.00 0.00 H ATOM 728 N TYR A 70 -21.799 -3.702 -30.291 1.00109.66 N ATOM 729 CA TYR A 70 -20.508 -3.351 -30.877 1.00106.57 C ATOM 730 C TYR A 70 -20.184 -4.373 -31.975 1.00104.87 C ATOM 731 O TYR A 70 -19.319 -5.241 -31.799 1.00100.38 O ATOM 732 CB TYR A 70 -19.430 -3.296 -29.788 1.00104.73 C ATOM 733 CG TYR A 70 -19.672 -2.213 -28.745 1.00106.94 C ATOM 734 CD1 TYR A 70 -19.440 -0.868 -29.038 1.00108.06 C ATOM 735 CD2 TYR A 70 -20.168 -2.528 -27.472 1.00108.12 C ATOM 736 CE1 TYR A 70 -19.658 0.124 -28.089 1.00109.62 C ATOM 737 CE2 TYR A 70 -20.401 -1.539 -26.531 1.00109.33 C ATOM 738 CZ TYR A 70 -20.137 -0.218 -26.839 1.00110.55 C ATOM 739 OH TYR A 70 -20.386 0.767 -25.915 1.00114.54 O ATOM 740 HH TYR A 70 -20.141 1.647 -26.298 1.00 0.00 H ATOM 741 H TYR A 70 -21.936 -4.666 -29.924 1.00 0.00 H ATOM 742 N PRO A 71 -20.882 -4.264 -33.128 1.00107.74 N ATOM 743 CA PRO A 71 -20.843 -5.309 -34.153 1.00108.30 C ATOM 744 C PRO A 71 -19.475 -5.432 -34.810 1.00105.95 C ATOM 745 O PRO A 71 -18.818 -4.417 -35.066 1.00105.63 O ATOM 746 CB PRO A 71 -21.887 -4.834 -35.167 1.00111.74 C ATOM 747 CG PRO A 71 -21.859 -3.346 -35.052 1.00111.97 C ATOM 748 CD PRO A 71 -21.589 -3.061 -33.608 1.00109.98 C ATOM 749 N GLY A 72 -19.048 -6.673 -35.049 1.00104.50 N ATOM 750 CA GLY A 72 -17.714 -6.958 -35.553 1.00101.33 C ATOM 751 C GLY A 72 -16.631 -6.993 -34.488 1.00 97.40 C ATOM 752 O GLY A 72 -15.535 -7.482 -34.757 1.00 95.11 O ATOM 753 H GLY A 72 -19.694 -7.468 -34.868 1.00 0.00 H ATOM 754 N VAL A 73 -16.928 -6.490 -33.282 1.00 95.89 N ATOM 755 CA VAL A 73 -15.939 -6.398 -32.205 1.00 92.01 C ATOM 756 C VAL A 73 -16.000 -7.683 -31.383 1.00 91.20 C ATOM 757 O VAL A 73 -16.701 -7.763 -30.360 1.00 91.43 O ATOM 758 CB VAL A 73 -16.175 -5.163 -31.306 1.00 91.70 C ATOM 759 CG1 VAL A 73 -15.041 -5.007 -30.298 1.00 88.56 C ATOM 760 CG2 VAL A 73 -16.319 -3.909 -32.151 1.00 93.10 C ATOM 761 H VAL A 73 -17.896 -6.153 -33.104 1.00 0.00 H ATOM 762 N LYS A 74 -15.262 -8.683 -31.853 1.00 89.92 N ATOM 763 CA LYS A 74 -15.248 -10.002 -31.220 1.00 89.56 C ATOM 764 C LYS A 74 -14.264 -10.029 -30.057 1.00 84.22 C ATOM 765 O LYS A 74 -14.602 -10.483 -28.964 1.00 83.28 O ATOM 766 CB LYS A 74 -14.879 -11.086 -32.246 1.00 91.60 C ATOM 767 CG LYS A 74 -15.874 -11.259 -33.389 1.00 94.87 C ATOM 768 CD LYS A 74 -17.180 -11.901 -32.942 1.00 97.60 C ATOM 769 CE LYS A 74 -18.069 -12.268 -34.130 1.00101.44 C ATOM 770 NZ LYS A 74 -17.645 -13.497 -34.879 1.00102.00 N ATOM 771 HZ1 LYS A 74 -16.685 -13.359 -35.254 1.00 0.00 H ATOM 772 HZ2 LYS A 74 -17.653 -14.314 -34.235 1.00 0.00 H ATOM 773 HZ3 LYS A 74 -18.305 -13.667 -35.665 1.00 0.00 H ATOM 774 H LYS A 74 -14.676 -8.523 -32.697 1.00 0.00 H ATOM 775 N GLN A 75 -13.051 -9.546 -30.312 1.00 80.58 N ATOM 776 CA GLN A 75 -12.006 -9.466 -29.297 1.00 77.80 C ATOM 777 C GLN A 75 -11.134 -8.236 -29.519 1.00 75.68 C ATOM 778 O GLN A 75 -11.012 -7.763 -30.652 1.00 79.27 O ATOM 779 CB GLN A 75 -11.146 -10.723 -29.332 1.00 77.01 C ATOM 780 CG GLN A 75 -10.584 -11.069 -30.691 1.00 78.10 C ATOM 781 CD GLN A 75 -9.339 -11.966 -30.579 1.00 76.72 C ATOM 782 OE1 GLN A 75 -9.216 -12.784 -29.656 1.00 76.18 O ATOM 783 NE2 GLN A 75 -8.412 -11.813 -31.525 1.00 76.76 N ATOM 784 HE22 GLN A 75 -8.553 -11.115 -32.283 1.00 0.00 H ATOM 785 HE21 GLN A 75 -7.548 -12.392 -31.505 1.00 0.00 H ATOM 786 H GLN A 75 -12.839 -9.212 -31.274 1.00 0.00 H ATOM 787 N VAL A 76 -10.523 -7.728 -28.445 1.00 71.89 N ATOM 788 CA VAL A 76 -9.705 -6.512 -28.478 1.00 70.01 C ATOM 789 C VAL A 76 -8.317 -6.726 -27.868 1.00 66.79 C ATOM 790 O VAL A 76 -8.114 -7.614 -27.021 1.00 66.52 O ATOM 791 CB VAL A 76 -10.417 -5.313 -27.805 1.00 71.23 C ATOM 792 CG1 VAL A 76 -11.743 -5.031 -28.495 1.00 74.03 C ATOM 793 CG2 VAL A 76 -10.648 -5.523 -26.319 1.00 70.97 C ATOM 794 H VAL A 76 -10.634 -8.222 -27.536 1.00 0.00 H ATOM 795 N SER A 77 -7.377 -5.898 -28.323 1.00 65.52 N ATOM 796 CA SER A 77 -5.982 -5.954 -27.924 1.00 63.51 C ATOM 797 C SER A 77 -5.685 -4.757 -26.999 1.00 63.75 C ATOM 798 O SER A 77 -5.699 -3.604 -27.447 1.00 64.66 O ATOM 799 CB SER A 77 -5.118 -5.930 -29.187 1.00 62.96 C ATOM 800 OG SER A 77 -3.744 -6.115 -28.912 1.00 60.89 O ATOM 801 HG SER A 77 -3.233 -6.091 -29.760 1.00 0.00 H ATOM 802 H SER A 77 -7.660 -5.167 -29.006 1.00 0.00 H ATOM 803 N VAL A 78 -5.446 -5.035 -25.712 1.00 63.29 N ATOM 804 CA VAL A 78 -5.316 -3.980 -24.674 1.00 63.58 C ATOM 805 C VAL A 78 -3.925 -4.076 -24.013 1.00 61.81 C ATOM 806 O VAL A 78 -3.423 -5.189 -23.797 1.00 60.25 O ATOM 807 CB VAL A 78 -6.433 -4.126 -23.596 1.00 65.02 C ATOM 808 CG1 VAL A 78 -6.300 -3.122 -22.459 1.00 65.83 C ATOM 809 CG2 VAL A 78 -7.815 -3.964 -24.213 1.00 66.88 C ATOM 810 H VAL A 78 -5.347 -6.030 -25.427 1.00 0.00 H ATOM 811 N PRO A 79 -3.291 -2.923 -23.692 1.00 62.11 N ATOM 812 CA PRO A 79 -2.040 -2.981 -22.930 1.00 61.22 C ATOM 813 C PRO A 79 -2.297 -3.406 -21.494 1.00 61.39 C ATOM 814 O PRO A 79 -3.160 -2.838 -20.820 1.00 62.98 O ATOM 815 CB PRO A 79 -1.522 -1.544 -22.960 1.00 62.42 C ATOM 816 CG PRO A 79 -2.742 -0.719 -23.145 1.00 64.56 C ATOM 817 CD PRO A 79 -3.645 -1.533 -24.033 1.00 64.22 C ATOM 818 N ILE A 80 -1.536 -4.398 -21.047 1.00 60.33 N ATOM 819 CA ILE A 80 -1.725 -5.044 -19.748 1.00 60.14 C ATOM 820 C ILE A 80 -1.661 -4.063 -18.570 1.00 61.66 C ATOM 821 O ILE A 80 -2.312 -4.275 -17.547 1.00 62.91 O ATOM 822 CB ILE A 80 -0.713 -6.207 -19.583 1.00 58.35 C ATOM 823 CG1 ILE A 80 -1.119 -7.153 -18.443 1.00 58.70 C ATOM 824 CG2 ILE A 80 0.711 -5.690 -19.417 1.00 57.90 C ATOM 825 CD1 ILE A 80 -2.447 -7.844 -18.677 1.00 59.28 C ATOM 826 H ILE A 80 -0.762 -4.735 -21.655 1.00 0.00 H ATOM 827 N SER A 81 -0.906 -2.974 -18.746 1.00 62.25 N ATOM 828 CA SER A 81 -0.858 -1.875 -17.790 1.00 63.80 C ATOM 829 C SER A 81 -2.213 -1.280 -17.402 1.00 65.67 C ATOM 830 O SER A 81 -2.304 -0.668 -16.351 1.00 68.04 O ATOM 831 CB SER A 81 0.010 -0.736 -18.342 1.00 64.66 C ATOM 832 OG SER A 81 -0.649 -0.035 -19.390 1.00 65.46 O ATOM 833 HG SER A 81 -0.062 0.690 -19.721 1.00 0.00 H ATOM 834 H SER A 81 -0.325 -2.908 -19.606 1.00 0.00 H ATOM 835 N SER A 82 -3.244 -1.413 -18.237 1.00 65.82 N ATOM 836 CA SER A 82 -4.547 -0.809 -17.944 1.00 68.47 C ATOM 837 C SER A 82 -5.622 -1.815 -17.512 1.00 68.31 C ATOM 838 O SER A 82 -6.813 -1.489 -17.500 1.00 70.69 O ATOM 839 CB SER A 82 -5.013 0.035 -19.138 1.00 70.26 C ATOM 840 OG SER A 82 -4.929 -0.701 -20.337 1.00 70.10 O ATOM 841 HG SER A 82 -3.990 -0.977 -20.488 1.00 0.00 H ATOM 842 H SER A 82 -3.121 -1.957 -19.115 1.00 0.00 H ATOM 843 N LEU A 83 -5.193 -3.016 -17.128 1.00 66.53 N ATOM 844 CA LEU A 83 -6.068 -4.058 -16.578 1.00 66.74 C ATOM 845 C LEU A 83 -5.606 -4.478 -15.196 1.00 66.24 C ATOM 846 O LEU A 83 -4.485 -4.171 -14.784 1.00 64.77 O ATOM 847 CB LEU A 83 -6.050 -5.296 -17.471 1.00 65.05 C ATOM 848 CG LEU A 83 -6.455 -5.078 -18.929 1.00 64.98 C ATOM 849 CD1 LEU A 83 -6.369 -6.385 -19.692 1.00 63.71 C ATOM 850 CD2 LEU A 83 -7.855 -4.485 -19.030 1.00 67.11 C ATOM 851 H LEU A 83 -4.179 -3.228 -17.223 1.00 0.00 H ATOM 852 N TRP A 84 -6.479 -5.188 -14.482 1.00 67.16 N ATOM 853 CA TRP A 84 -6.031 -5.963 -13.345 1.00 67.45 C ATOM 854 C TRP A 84 -5.275 -7.159 -13.904 1.00 65.93 C ATOM 855 O TRP A 84 -5.700 -7.769 -14.874 1.00 64.68 O ATOM 856 CB TRP A 84 -7.187 -6.421 -12.447 1.00 69.12 C ATOM 857 CG TRP A 84 -6.691 -7.289 -11.340 1.00 68.42 C ATOM 858 CD1 TRP A 84 -6.238 -6.889 -10.129 1.00 69.35 C ATOM 859 CD2 TRP A 84 -6.546 -8.710 -11.373 1.00 67.16 C ATOM 860 NE1 TRP A 84 -5.838 -7.972 -9.390 1.00 69.39 N ATOM 861 CE2 TRP A 84 -6.016 -9.106 -10.134 1.00 68.08 C ATOM 862 CE3 TRP A 84 -6.825 -9.693 -12.334 1.00 66.08 C ATOM 863 CZ2 TRP A 84 -5.767 -10.444 -9.821 1.00 67.90 C ATOM 864 CZ3 TRP A 84 -6.573 -11.019 -12.028 1.00 65.58 C ATOM 865 CH2 TRP A 84 -6.053 -11.384 -10.781 1.00 66.41 C ATOM 866 HE1 TRP A 84 -5.461 -7.937 -8.421 1.00 0.00 H ATOM 867 H TRP A 84 -7.486 -5.185 -14.743 1.00 0.00 H ATOM 868 N LYS A 85 -4.155 -7.473 -13.273 1.00 66.13 N ATOM 869 CA LYS A 85 -3.263 -8.552 -13.692 1.00 64.91 C ATOM 870 C LYS A 85 -2.998 -9.377 -12.419 1.00 64.28 C ATOM 871 O LYS A 85 -2.859 -8.813 -11.338 1.00 65.01 O ATOM 872 CB LYS A 85 -1.971 -7.930 -14.291 1.00 64.77 C ATOM 873 CG LYS A 85 -0.872 -8.896 -14.748 1.00 64.68 C ATOM 874 CD LYS A 85 0.431 -8.833 -13.918 1.00 65.60 C ATOM 875 CE LYS A 85 1.548 -9.807 -14.437 1.00 64.82 C ATOM 876 NZ LYS A 85 1.395 -11.317 -14.293 1.00 62.81 N ATOM 877 HZ1 LYS A 85 1.307 -11.561 -13.286 1.00 0.00 H ATOM 878 HZ2 LYS A 85 0.543 -11.628 -14.802 1.00 0.00 H ATOM 879 HZ3 LYS A 85 2.231 -11.789 -14.693 1.00 0.00 H ATOM 880 H LYS A 85 -3.895 -6.921 -12.431 1.00 0.00 H ATOM 881 N PRO A 86 -2.964 -10.711 -12.526 1.00 62.80 N ATOM 882 CA PRO A 86 -2.620 -11.459 -11.314 1.00 63.03 C ATOM 883 C PRO A 86 -1.167 -11.237 -10.884 1.00 61.22 C ATOM 884 O PRO A 86 -0.298 -11.115 -11.733 1.00 58.93 O ATOM 885 CB PRO A 86 -2.888 -12.922 -11.713 1.00 63.19 C ATOM 886 CG PRO A 86 -2.762 -12.935 -13.206 1.00 61.78 C ATOM 887 CD PRO A 86 -3.287 -11.605 -13.659 1.00 62.34 C ATOM 888 N ASP A 87 -0.924 -11.202 -9.575 1.00 62.51 N ATOM 889 CA ASP A 87 0.396 -10.898 -9.003 1.00 62.12 C ATOM 890 C ASP A 87 1.271 -12.135 -8.808 1.00 61.91 C ATOM 891 O ASP A 87 1.827 -12.365 -7.738 1.00 63.94 O ATOM 892 CB ASP A 87 0.253 -10.094 -7.687 1.00 63.62 C ATOM 893 CG ASP A 87 -0.448 -10.863 -6.556 1.00 64.78 C ATOM 894 OD1 ASP A 87 -1.231 -11.795 -6.824 1.00 64.65 O ATOM 895 OD2 ASP A 87 -0.202 -10.514 -5.383 1.00 66.14 O ATOM 896 H ASP A 87 -1.710 -11.400 -8.923 1.00 0.00 H ATOM 897 N ILE A 88 1.437 -12.912 -9.872 1.00 60.17 N ATOM 898 CA ILE A 88 2.133 -14.186 -9.790 1.00 60.40 C ATOM 899 C ILE A 88 3.635 -13.968 -9.820 1.00 59.24 C ATOM 900 O ILE A 88 4.104 -13.048 -10.484 1.00 58.97 O ATOM 901 CB ILE A 88 1.718 -15.101 -10.956 1.00 60.47 C ATOM 902 CG1 ILE A 88 0.185 -15.259 -10.910 1.00 62.54 C ATOM 903 CG2 ILE A 88 2.450 -16.465 -10.885 1.00 60.43 C ATOM 904 CD1 ILE A 88 -0.377 -16.307 -11.846 1.00 63.01 C ATOM 905 H ILE A 88 1.059 -12.601 -10.789 1.00 0.00 H ATOM 906 N LEU A 89 4.395 -14.805 -9.117 1.00 59.35 N ATOM 907 CA LEU A 89 5.856 -14.748 -9.260 1.00 58.19 C ATOM 908 C LEU A 89 6.548 -16.096 -9.166 1.00 57.66 C ATOM 909 O LEU A 89 5.981 -17.062 -8.655 1.00 58.56 O ATOM 910 CB LEU A 89 6.436 -13.816 -8.212 1.00 59.54 C ATOM 911 CG LEU A 89 6.380 -14.297 -6.755 1.00 61.79 C ATOM 912 CD1 LEU A 89 7.502 -15.248 -6.367 1.00 62.35 C ATOM 913 CD2 LEU A 89 6.445 -13.079 -5.874 1.00 63.40 C ATOM 914 H LEU A 89 3.958 -15.494 -8.472 1.00 0.00 H ATOM 915 N LEU A 90 7.801 -16.110 -9.622 1.00 56.52 N ATOM 916 CA LEU A 90 8.692 -17.268 -9.543 1.00 57.02 C ATOM 917 C LEU A 90 9.507 -17.206 -8.261 1.00 58.31 C ATOM 918 O LEU A 90 10.404 -16.379 -8.145 1.00 57.48 O ATOM 919 CB LEU A 90 9.650 -17.289 -10.746 1.00 56.14 C ATOM 920 CG LEU A 90 10.719 -18.394 -10.824 1.00 57.19 C ATOM 921 CD1 LEU A 90 10.135 -19.817 -10.854 1.00 58.09 C ATOM 922 CD2 LEU A 90 11.592 -18.165 -12.047 1.00 56.05 C ATOM 923 H LEU A 90 8.169 -15.242 -10.062 1.00 0.00 H ATOM 924 N TYR A 91 9.237 -18.103 -7.313 1.00 60.03 N ATOM 925 CA TYR A 91 9.896 -18.010 -5.992 1.00 62.36 C ATOM 926 C TYR A 91 11.421 -18.244 -6.024 1.00 63.38 C ATOM 927 O TYR A 91 12.136 -17.815 -5.108 1.00 64.91 O ATOM 928 CB TYR A 91 9.214 -18.934 -4.967 1.00 64.15 C ATOM 929 CG TYR A 91 7.858 -18.441 -4.486 1.00 64.55 C ATOM 930 CD1 TYR A 91 6.717 -18.648 -5.246 1.00 63.54 C ATOM 931 CD2 TYR A 91 7.719 -17.758 -3.276 1.00 66.06 C ATOM 932 CE1 TYR A 91 5.481 -18.192 -4.816 1.00 64.47 C ATOM 933 CE2 TYR A 91 6.481 -17.294 -2.853 1.00 66.94 C ATOM 934 CZ TYR A 91 5.364 -17.526 -3.627 1.00 65.90 C ATOM 935 OH TYR A 91 4.117 -17.100 -3.244 1.00 66.64 O ATOM 936 HH TYR A 91 3.454 -17.363 -3.931 1.00 0.00 H ATOM 937 H TYR A 91 8.561 -18.870 -7.503 1.00 0.00 H ATOM 938 N ASN A 92 11.911 -18.872 -7.091 1.00 63.95 N ATOM 939 CA ASN A 92 13.338 -19.226 -7.237 1.00 66.12 C ATOM 940 C ASN A 92 14.229 -18.118 -7.807 1.00 65.35 C ATOM 941 O ASN A 92 15.456 -18.294 -7.884 1.00 65.51 O ATOM 942 CB ASN A 92 13.491 -20.430 -8.180 1.00 67.03 C ATOM 943 CG ASN A 92 12.531 -21.555 -7.884 1.00 68.39 C ATOM 944 OD1 ASN A 92 11.325 -21.399 -8.005 1.00 67.65 O ATOM 945 ND2 ASN A 92 13.058 -22.699 -7.504 1.00 70.77 N ATOM 946 HD22 ASN A 92 14.090 -22.791 -7.413 1.00 0.00 H ATOM 947 HD21 ASN A 92 12.443 -23.511 -7.295 1.00 0.00 H ATOM 948 H ASN A 92 11.257 -19.126 -7.859 1.00 0.00 H ATOM 949 N ALA A 93 13.619 -17.015 -8.240 1.00 65.10 N ATOM 950 CA ALA A 93 14.309 -16.003 -9.027 1.00 64.68 C ATOM 951 C ALA A 93 15.237 -15.169 -8.159 1.00 65.95 C ATOM 952 O ALA A 93 14.930 -14.874 -7.007 1.00 65.77 O ATOM 953 CB ALA A 93 13.313 -15.117 -9.755 1.00 63.48 C ATOM 954 H ALA A 93 12.615 -16.872 -8.008 1.00 0.00 H ATOM 955 N ILE A 94 16.364 -14.802 -8.761 1.00 66.30 N ATOM 956 CA ILE A 94 17.426 -14.014 -8.134 1.00 68.56 C ATOM 957 C ILE A 94 17.753 -12.738 -8.935 1.00 67.49 C ATOM 958 O ILE A 94 18.764 -12.087 -8.689 1.00 68.24 O ATOM 959 CB ILE A 94 18.697 -14.887 -7.979 1.00 71.84 C ATOM 960 CG1 ILE A 94 19.188 -15.425 -9.337 1.00 70.98 C ATOM 961 CG2 ILE A 94 18.428 -16.070 -7.050 1.00 73.45 C ATOM 962 CD1 ILE A 94 20.556 -16.060 -9.292 1.00 72.80 C ATOM 963 H ILE A 94 16.501 -15.096 -9.749 1.00 0.00 H ATOM 964 N GLU A 95 16.875 -12.392 -9.881 1.00 66.05 N ATOM 965 CA GLU A 95 16.997 -11.231 -10.768 1.00 66.22 C ATOM 966 C GLU A 95 15.572 -10.958 -11.224 1.00 63.77 C ATOM 967 O GLU A 95 14.734 -11.856 -11.164 1.00 60.43 O ATOM 968 CB GLU A 95 17.895 -11.558 -11.980 1.00 67.01 C ATOM 969 CG GLU A 95 19.182 -10.731 -12.096 1.00 70.62 C ATOM 970 CD GLU A 95 20.267 -11.404 -12.943 1.00 72.07 C ATOM 971 OE1 GLU A 95 21.166 -12.047 -12.342 1.00 76.16 O ATOM 972 OE2 GLU A 95 20.235 -11.297 -14.198 1.00 69.82 O ATOM 973 H GLU A 95 16.036 -12.996 -9.998 1.00 0.00 H ATOM 974 N ARG A 96 15.282 -9.749 -11.690 1.00 64.98 N ATOM 975 CA ARG A 96 13.939 -9.468 -12.215 1.00 64.87 C ATOM 976 C ARG A 96 13.772 -10.163 -13.575 1.00 62.29 C ATOM 977 O ARG A 96 14.765 -10.537 -14.202 1.00 61.83 O ATOM 978 CB ARG A 96 13.704 -7.976 -12.334 1.00 68.26 C ATOM 979 CG ARG A 96 13.739 -7.243 -11.006 1.00 73.31 C ATOM 980 CD ARG A 96 13.802 -5.726 -11.174 1.00 78.42 C ATOM 981 NE ARG A 96 12.631 -5.188 -11.885 1.00 82.25 N ATOM 982 CZ ARG A 96 11.396 -5.050 -11.383 1.00 84.69 C ATOM 983 NH1 ARG A 96 11.103 -5.389 -10.121 1.00 87.49 N ATOM 984 NH2 ARG A 96 10.432 -4.557 -12.160 1.00 83.90 N ATOM 985 HE ARG A 96 12.776 -4.886 -12.870 1.00 0.00 H ATOM 986 HH12 ARG A 96 10.134 -5.269 -9.762 1.00 0.00 H ATOM 987 HH11 ARG A 96 11.844 -5.772 -9.500 1.00 0.00 H ATOM 988 HH22 ARG A 96 9.469 -4.444 -11.785 1.00 0.00 H ATOM 989 HH21 ARG A 96 10.643 -4.285 -13.141 1.00 0.00 H ATOM 990 H ARG A 96 16.005 -9.001 -11.683 1.00 0.00 H ATOM 991 N PRO A 97 12.522 -10.384 -14.023 1.00 60.39 N ATOM 992 CA PRO A 97 12.331 -10.945 -15.360 1.00 58.66 C ATOM 993 C PRO A 97 12.578 -9.906 -16.477 1.00 58.49 C ATOM 994 O PRO A 97 12.185 -8.747 -16.320 1.00 57.77 O ATOM 995 CB PRO A 97 10.859 -11.387 -15.348 1.00 58.01 C ATOM 996 CG PRO A 97 10.201 -10.529 -14.347 1.00 59.05 C ATOM 997 CD PRO A 97 11.244 -10.211 -13.308 1.00 60.75 C ATOM 998 N GLU A 98 13.241 -10.319 -17.569 1.00 58.99 N ATOM 999 CA GLU A 98 13.340 -9.468 -18.772 1.00 59.37 C ATOM 1000 C GLU A 98 12.262 -9.914 -19.753 1.00 56.37 C ATOM 1001 O GLU A 98 12.330 -11.040 -20.251 1.00 56.15 O ATOM 1002 CB GLU A 98 14.730 -9.541 -19.425 1.00 61.37 C ATOM 1003 CG GLU A 98 14.924 -8.526 -20.557 1.00 63.68 C ATOM 1004 CD GLU A 98 16.343 -8.490 -21.121 1.00 67.17 C ATOM 1005 OE1 GLU A 98 17.098 -9.500 -20.989 1.00 68.80 O ATOM 1006 OE2 GLU A 98 16.706 -7.434 -21.718 1.00 70.00 O ATOM 1007 H GLU A 98 13.693 -11.256 -17.568 1.00 0.00 H ATOM 1008 N VAL A 99 11.271 -9.050 -20.004 1.00 55.20 N ATOM 1009 CA VAL A 99 10.088 -9.413 -20.809 1.00 54.31 C ATOM 1010 C VAL A 99 10.373 -9.181 -22.306 1.00 54.76 C ATOM 1011 O VAL A 99 10.619 -8.048 -22.730 1.00 55.45 O ATOM 1012 CB VAL A 99 8.832 -8.605 -20.393 1.00 54.03 C ATOM 1013 CG1 VAL A 99 7.626 -9.018 -21.225 1.00 53.77 C ATOM 1014 CG2 VAL A 99 8.528 -8.807 -18.927 1.00 54.37 C ATOM 1015 H VAL A 99 11.337 -8.087 -19.617 1.00 0.00 H ATOM 1016 N LEU A 100 10.309 -10.253 -23.104 1.00 53.71 N ATOM 1017 CA LEU A 100 10.678 -10.195 -24.517 1.00 54.12 C ATOM 1018 C LEU A 100 9.527 -9.792 -25.443 1.00 55.29 C ATOM 1019 O LEU A 100 9.758 -9.174 -26.486 1.00 55.43 O ATOM 1020 CB LEU A 100 11.260 -11.529 -24.958 1.00 53.11 C ATOM 1021 CG LEU A 100 12.423 -12.063 -24.117 1.00 52.42 C ATOM 1022 CD1 LEU A 100 12.962 -13.367 -24.650 1.00 52.68 C ATOM 1023 CD2 LEU A 100 13.563 -11.063 -24.031 1.00 53.23 C ATOM 1024 H LEU A 100 9.986 -11.158 -22.706 1.00 0.00 H ATOM 1025 N THR A 101 8.297 -10.144 -25.065 1.00 55.37 N ATOM 1026 CA THR A 101 7.108 -9.844 -25.867 1.00 57.37 C ATOM 1027 C THR A 101 6.529 -8.460 -25.573 1.00 59.57 C ATOM 1028 O THR A 101 6.782 -7.908 -24.507 1.00 65.82 O ATOM 1029 CB THR A 101 5.997 -10.853 -25.587 1.00 57.22 C ATOM 1030 OG1 THR A 101 5.797 -10.982 -24.159 1.00 57.04 O ATOM 1031 CG2 THR A 101 6.364 -12.200 -26.202 1.00 57.60 C ATOM 1032 HG1 THR A 101 5.076 -11.638 -23.986 1.00 0.00 H ATOM 1033 H THR A 101 8.177 -10.652 -24.165 1.00 0.00 H ATOM 1034 N PRO A 102 5.746 -7.898 -26.508 1.00 58.59 N ATOM 1035 CA PRO A 102 4.873 -6.767 -26.258 1.00 58.74 C ATOM 1036 C PRO A 102 3.964 -6.983 -25.057 1.00 58.65 C ATOM 1037 O PRO A 102 3.477 -8.095 -24.855 1.00 59.91 O ATOM 1038 CB PRO A 102 4.017 -6.713 -27.516 1.00 59.72 C ATOM 1039 CG PRO A 102 4.960 -7.137 -28.576 1.00 60.63 C ATOM 1040 CD PRO A 102 5.811 -8.200 -27.941 1.00 59.75 C ATOM 1041 N GLN A 103 3.744 -5.927 -24.275 1.00 57.92 N ATOM 1042 CA GLN A 103 2.978 -6.015 -23.040 1.00 57.30 C ATOM 1043 C GLN A 103 1.502 -5.806 -23.306 1.00 56.40 C ATOM 1044 O GLN A 103 0.912 -4.832 -22.857 1.00 57.13 O ATOM 1045 CB GLN A 103 3.489 -5.002 -22.024 1.00 59.98 C ATOM 1046 CG GLN A 103 4.943 -5.200 -21.632 1.00 61.84 C ATOM 1047 CD GLN A 103 5.113 -6.310 -20.612 1.00 63.98 C ATOM 1048 OE1 GLN A 103 4.539 -7.401 -20.740 1.00 63.08 O ATOM 1049 NE2 GLN A 103 5.898 -6.025 -19.574 1.00 67.94 N ATOM 1050 HE22 GLN A 103 6.359 -5.095 -19.510 1.00 0.00 H ATOM 1051 HE21 GLN A 103 6.050 -6.733 -18.827 1.00 0.00 H ATOM 1052 H GLN A 103 4.134 -5.005 -24.557 1.00 0.00 H ATOM 1053 N LEU A 104 0.928 -6.757 -24.039 1.00 55.12 N ATOM 1054 CA LEU A 104 -0.452 -6.711 -24.491 1.00 55.70 C ATOM 1055 C LEU A 104 -1.203 -7.999 -24.138 1.00 55.41 C ATOM 1056 O LEU A 104 -0.623 -9.102 -24.100 1.00 54.07 O ATOM 1057 CB LEU A 104 -0.488 -6.536 -25.996 1.00 56.05 C ATOM 1058 CG LEU A 104 0.007 -5.218 -26.583 1.00 56.90 C ATOM 1059 CD1 LEU A 104 0.342 -5.389 -28.069 1.00 57.06 C ATOM 1060 CD2 LEU A 104 -1.028 -4.115 -26.378 1.00 58.66 C ATOM 1061 H LEU A 104 1.502 -7.583 -24.304 1.00 0.00 H ATOM 1062 N ALA A 105 -2.502 -7.829 -23.894 1.00 56.44 N ATOM 1063 CA ALA A 105 -3.407 -8.942 -23.639 1.00 56.66 C ATOM 1064 C ALA A 105 -4.613 -8.886 -24.574 1.00 58.14 C ATOM 1065 O ALA A 105 -5.031 -7.797 -25.026 1.00 59.04 O ATOM 1066 CB ALA A 105 -3.874 -8.911 -22.201 1.00 57.35 C ATOM 1067 H ALA A 105 -2.885 -6.862 -23.885 1.00 0.00 H ATOM 1068 N LEU A 106 -5.159 -10.066 -24.843 1.00 58.65 N ATOM 1069 CA LEU A 106 -6.381 -10.228 -25.631 1.00 60.28 C ATOM 1070 C LEU A 106 -7.570 -10.346 -24.710 1.00 60.50 C ATOM 1071 O LEU A 106 -7.504 -11.089 -23.740 1.00 60.31 O ATOM 1072 CB LEU A 106 -6.309 -11.497 -26.487 1.00 61.41 C ATOM 1073 CG LEU A 106 -5.528 -11.410 -27.792 1.00 61.63 C ATOM 1074 CD1 LEU A 106 -5.582 -12.772 -28.478 1.00 62.95 C ATOM 1075 CD2 LEU A 106 -6.078 -10.295 -28.680 1.00 63.33 C ATOM 1076 H LEU A 106 -4.694 -10.920 -24.474 1.00 0.00 H ATOM 1077 N VAL A 107 -8.659 -9.648 -25.030 1.00 61.72 N ATOM 1078 CA VAL A 107 -9.901 -9.726 -24.246 1.00 63.76 C ATOM 1079 C VAL A 107 -11.106 -10.015 -25.144 1.00 66.57 C ATOM 1080 O VAL A 107 -11.334 -9.282 -26.092 1.00 68.48 O ATOM 1081 CB VAL A 107 -10.160 -8.407 -23.491 1.00 64.20 C ATOM 1082 CG1 VAL A 107 -11.448 -8.491 -22.665 1.00 66.07 C ATOM 1083 CG2 VAL A 107 -8.984 -8.091 -22.583 1.00 62.73 C ATOM 1084 H VAL A 107 -8.630 -9.026 -25.863 1.00 0.00 H ATOM 1085 N ASN A 108 -11.898 -11.042 -24.851 1.00 68.27 N ATOM 1086 CA ASN A 108 -13.123 -11.268 -25.643 1.00 70.88 C ATOM 1087 C ASN A 108 -14.383 -10.682 -24.985 1.00 72.91 C ATOM 1088 O ASN A 108 -14.306 -10.106 -23.908 1.00 72.54 O ATOM 1089 CB ASN A 108 -13.255 -12.741 -26.053 1.00 72.21 C ATOM 1090 CG ASN A 108 -13.718 -13.650 -24.943 1.00 73.58 C ATOM 1091 OD1 ASN A 108 -14.076 -13.225 -23.826 1.00 74.35 O ATOM 1092 ND2 ASN A 108 -13.711 -14.942 -25.267 1.00 74.39 N ATOM 1093 HD22 ASN A 108 -13.402 -15.239 -26.215 1.00 0.00 H ATOM 1094 HD21 ASN A 108 -14.015 -15.654 -24.572 1.00 0.00 H ATOM 1095 H ASN A 108 -11.656 -11.682 -24.068 1.00 0.00 H ATOM 1096 N SER A 109 -15.524 -10.820 -25.649 1.00 75.60 N ATOM 1097 CA SER A 109 -16.766 -10.162 -25.232 1.00 78.52 C ATOM 1098 C SER A 109 -17.357 -10.685 -23.920 1.00 80.15 C ATOM 1099 O SER A 109 -18.161 -9.975 -23.299 1.00 81.82 O ATOM 1100 CB SER A 109 -17.822 -10.249 -26.342 1.00 81.33 C ATOM 1101 OG SER A 109 -18.238 -11.584 -26.575 1.00 82.35 O ATOM 1102 HG SER A 109 -18.917 -11.596 -27.295 1.00 0.00 H ATOM 1103 H SER A 109 -15.538 -11.419 -26.499 1.00 0.00 H ATOM 1104 N SER A 110 -16.959 -11.901 -23.508 1.00 80.09 N ATOM 1105 CA SER A 110 -17.319 -12.462 -22.184 1.00 81.57 C ATOM 1106 C SER A 110 -16.599 -11.813 -21.012 1.00 79.90 C ATOM 1107 O SER A 110 -17.018 -11.966 -19.867 1.00 81.02 O ATOM 1108 CB SER A 110 -16.965 -13.949 -22.107 1.00 81.67 C ATOM 1109 OG SER A 110 -17.320 -14.628 -23.285 1.00 83.49 O ATOM 1110 HG SER A 110 -17.077 -15.584 -23.199 1.00 0.00 H ATOM 1111 H SER A 110 -16.372 -12.474 -24.147 1.00 0.00 H ATOM 1112 N GLY A 111 -15.498 -11.129 -21.295 1.00 77.89 N ATOM 1113 CA GLY A 111 -14.589 -10.650 -20.280 1.00 76.86 C ATOM 1114 C GLY A 111 -13.450 -11.616 -20.038 1.00 75.54 C ATOM 1115 O GLY A 111 -12.742 -11.479 -19.030 1.00 74.33 O ATOM 1116 H GLY A 111 -15.280 -10.929 -22.292 1.00 0.00 H ATOM 1117 N HIS A 112 -13.250 -12.585 -20.936 1.00 76.55 N ATOM 1118 CA HIS A 112 -12.118 -13.494 -20.784 1.00 76.44 C ATOM 1119 C HIS A 112 -10.842 -12.841 -21.277 1.00 71.98 C ATOM 1120 O HIS A 112 -10.813 -12.330 -22.392 1.00 71.92 O ATOM 1121 CB HIS A 112 -12.333 -14.815 -21.515 1.00 80.06 C ATOM 1122 CG HIS A 112 -11.394 -15.892 -21.070 1.00 81.74 C ATOM 1123 ND1 HIS A 112 -11.598 -16.614 -19.912 1.00 84.52 N ATOM 1124 CD2 HIS A 112 -10.229 -16.340 -21.593 1.00 80.97 C ATOM 1125 CE1 HIS A 112 -10.611 -17.478 -19.753 1.00 85.31 C ATOM 1126 NE2 HIS A 112 -9.771 -17.338 -20.766 1.00 83.08 N ATOM 1127 H HIS A 112 -13.899 -12.691 -21.741 1.00 0.00 H ATOM 1128 N VAL A 113 -9.799 -12.904 -20.450 1.00 69.76 N ATOM 1129 CA VAL A 113 -8.520 -12.234 -20.695 1.00 68.01 C ATOM 1130 C VAL A 113 -7.398 -13.238 -20.926 1.00 67.09 C ATOM 1131 O VAL A 113 -7.361 -14.288 -20.288 1.00 67.89 O ATOM 1132 CB VAL A 113 -8.135 -11.350 -19.497 1.00 68.26 C ATOM 1133 CG1 VAL A 113 -6.942 -10.447 -19.839 1.00 66.10 C ATOM 1134 CG2 VAL A 113 -9.360 -10.536 -19.048 1.00 70.75 C ATOM 1135 H VAL A 113 -9.899 -13.462 -19.578 1.00 0.00 H ATOM 1136 N GLN A 114 -6.479 -12.910 -21.831 1.00 66.38 N ATOM 1137 CA GLN A 114 -5.374 -13.804 -22.173 1.00 65.18 C ATOM 1138 C GLN A 114 -4.092 -13.013 -22.277 1.00 62.07 C ATOM 1139 O GLN A 114 -4.039 -12.016 -23.003 1.00 62.11 O ATOM 1140 CB GLN A 114 -5.679 -14.516 -23.499 1.00 67.26 C ATOM 1141 CG GLN A 114 -6.883 -15.426 -23.365 1.00 71.51 C ATOM 1142 CD GLN A 114 -7.093 -16.383 -24.510 1.00 74.83 C ATOM 1143 OE1 GLN A 114 -6.970 -15.980 -25.663 1.00 77.48 O ATOM 1144 NE2 GLN A 114 -7.444 -17.647 -24.196 1.00 75.45 N ATOM 1145 HE22 GLN A 114 -7.532 -17.930 -23.199 1.00 0.00 H ATOM 1146 HE21 GLN A 114 -7.626 -18.339 -24.951 1.00 0.00 H ATOM 1147 H GLN A 114 -6.549 -11.989 -22.310 1.00 0.00 H ATOM 1148 N TYR A 115 -3.068 -13.449 -21.548 1.00 59.84 N ATOM 1149 CA TYR A 115 -1.802 -12.722 -21.458 1.00 57.97 C ATOM 1150 C TYR A 115 -0.659 -13.739 -21.442 1.00 56.32 C ATOM 1151 O TYR A 115 -0.606 -14.586 -20.567 1.00 56.02 O ATOM 1152 CB TYR A 115 -1.816 -11.851 -20.186 1.00 58.46 C ATOM 1153 CG TYR A 115 -0.534 -11.078 -19.976 1.00 58.01 C ATOM 1154 CD1 TYR A 115 -0.129 -10.088 -20.870 1.00 58.70 C ATOM 1155 CD2 TYR A 115 0.270 -11.327 -18.874 1.00 58.48 C ATOM 1156 CE1 TYR A 115 1.041 -9.378 -20.674 1.00 58.67 C ATOM 1157 CE2 TYR A 115 1.447 -10.624 -18.662 1.00 58.17 C ATOM 1158 CZ TYR A 115 1.831 -9.655 -19.560 1.00 58.81 C ATOM 1159 OH TYR A 115 2.998 -8.958 -19.337 1.00 59.07 O ATOM 1160 HH TYR A 115 3.134 -8.302 -20.066 1.00 0.00 H ATOM 1161 H TYR A 115 -3.172 -14.340 -21.022 1.00 0.00 H ATOM 1162 N LEU A 116 0.245 -13.649 -22.409 1.00 55.76 N ATOM 1163 CA LEU A 116 1.207 -14.722 -22.692 1.00 55.36 C ATOM 1164 C LEU A 116 2.656 -14.238 -22.779 1.00 54.06 C ATOM 1165 O LEU A 116 3.321 -14.445 -23.784 1.00 53.55 O ATOM 1166 CB LEU A 116 0.846 -15.416 -24.024 1.00 56.03 C ATOM 1167 CG LEU A 116 -0.336 -16.387 -24.098 1.00 57.12 C ATOM 1168 CD1 LEU A 116 -1.712 -15.707 -23.929 1.00 58.42 C ATOM 1169 CD2 LEU A 116 -0.198 -17.159 -25.395 1.00 57.84 C ATOM 1170 H LEU A 116 0.273 -12.786 -22.989 1.00 0.00 H ATOM 1171 N PRO A 117 3.163 -13.616 -21.720 1.00 53.62 N ATOM 1172 CA PRO A 117 4.504 -13.033 -21.813 1.00 53.23 C ATOM 1173 C PRO A 117 5.594 -14.074 -22.012 1.00 53.32 C ATOM 1174 O PRO A 117 5.525 -15.149 -21.419 1.00 54.92 O ATOM 1175 CB PRO A 117 4.675 -12.345 -20.454 1.00 52.99 C ATOM 1176 CG PRO A 117 3.743 -13.075 -19.545 1.00 53.34 C ATOM 1177 CD PRO A 117 2.561 -13.410 -20.392 1.00 53.65 C ATOM 1178 N SER A 118 6.570 -13.767 -22.866 1.00 53.41 N ATOM 1179 CA SER A 118 7.789 -14.595 -22.980 1.00 53.93 C ATOM 1180 C SER A 118 8.917 -13.883 -22.255 1.00 54.40 C ATOM 1181 O SER A 118 9.096 -12.675 -22.432 1.00 56.56 O ATOM 1182 CB SER A 118 8.166 -14.816 -24.445 1.00 54.55 C ATOM 1183 OG SER A 118 9.294 -15.681 -24.553 1.00 55.24 O ATOM 1184 HG SER A 118 9.520 -15.809 -25.508 1.00 0.00 H ATOM 1185 H SER A 118 6.471 -12.924 -23.467 1.00 0.00 H ATOM 1186 N ILE A 119 9.677 -14.621 -21.453 1.00 54.26 N ATOM 1187 CA ILE A 119 10.605 -14.027 -20.478 1.00 55.05 C ATOM 1188 C ILE A 119 11.974 -14.702 -20.434 1.00 54.81 C ATOM 1189 O ILE A 119 12.074 -15.942 -20.483 1.00 56.28 O ATOM 1190 CB ILE A 119 9.985 -13.986 -19.052 1.00 56.11 C ATOM 1191 CG1 ILE A 119 9.696 -15.372 -18.475 1.00 58.39 C ATOM 1192 CG2 ILE A 119 8.761 -13.074 -19.056 1.00 55.76 C ATOM 1193 CD1 ILE A 119 9.480 -15.343 -16.978 1.00 58.76 C ATOM 1194 H ILE A 119 9.614 -15.657 -21.517 1.00 0.00 H ATOM 1195 N ARG A 120 13.007 -13.863 -20.332 1.00 54.40 N ATOM 1196 CA ARG A 120 14.353 -14.282 -19.974 1.00 54.94 C ATOM 1197 C ARG A 120 14.486 -14.107 -18.466 1.00 56.09 C ATOM 1198 O ARG A 120 14.217 -13.006 -17.940 1.00 57.04 O ATOM 1199 CB ARG A 120 15.385 -13.419 -20.685 1.00 55.18 C ATOM 1200 CG ARG A 120 16.817 -13.847 -20.445 1.00 56.39 C ATOM 1201 CD ARG A 120 17.283 -14.876 -21.443 1.00 56.70 C ATOM 1202 NE ARG A 120 18.718 -15.102 -21.304 1.00 58.73 N ATOM 1203 CZ ARG A 120 19.688 -14.360 -21.842 1.00 61.08 C ATOM 1204 NH1 ARG A 120 19.424 -13.317 -22.621 1.00 61.74 N ATOM 1205 NH2 ARG A 120 20.950 -14.687 -21.604 1.00 63.05 N ATOM 1206 HE ARG A 120 19.013 -15.919 -20.731 1.00 0.00 H ATOM 1207 HH12 ARG A 120 20.203 -12.759 -23.025 1.00 0.00 H ATOM 1208 HH11 ARG A 120 18.438 -13.058 -22.827 1.00 0.00 H ATOM 1209 HH22 ARG A 120 21.720 -14.121 -22.014 1.00 0.00 H ATOM 1210 HH21 ARG A 120 21.170 -15.510 -21.007 1.00 0.00 H ATOM 1211 H ARG A 120 12.840 -12.854 -20.519 1.00 0.00 H ATOM 1212 N GLN A 121 14.923 -15.181 -17.800 1.00 57.77 N ATOM 1213 CA GLN A 121 14.944 -15.286 -16.331 1.00 59.32 C ATOM 1214 C GLN A 121 16.119 -16.117 -15.801 1.00 59.77 C ATOM 1215 O GLN A 121 16.334 -17.228 -16.261 1.00 58.36 O ATOM 1216 CB GLN A 121 13.642 -15.932 -15.856 1.00 58.52 C ATOM 1217 CG GLN A 121 13.480 -16.010 -14.348 1.00 58.94 C ATOM 1218 CD GLN A 121 13.312 -14.652 -13.711 1.00 58.95 C ATOM 1219 OE1 GLN A 121 12.292 -13.990 -13.894 1.00 57.30 O ATOM 1220 NE2 GLN A 121 14.313 -14.229 -12.956 1.00 60.99 N ATOM 1221 HE22 GLN A 121 15.157 -14.824 -12.830 1.00 0.00 H ATOM 1222 HE21 GLN A 121 14.256 -13.302 -12.489 1.00 0.00 H ATOM 1223 H GLN A 121 15.269 -15.991 -18.353 1.00 0.00 H ATOM 1224 N ARG A 122 16.844 -15.581 -14.819 1.00 60.92 N ATOM 1225 CA ARG A 122 17.878 -16.350 -14.110 1.00 63.55 C ATOM 1226 C ARG A 122 17.327 -16.779 -12.751 1.00 64.22 C ATOM 1227 O ARG A 122 16.672 -15.984 -12.078 1.00 63.33 O ATOM 1228 CB ARG A 122 19.167 -15.544 -13.927 1.00 66.25 C ATOM 1229 CG ARG A 122 20.095 -15.561 -15.129 1.00 68.64 C ATOM 1230 CD ARG A 122 21.217 -14.533 -15.017 1.00 74.06 C ATOM 1231 NE ARG A 122 21.508 -13.883 -16.296 1.00 80.68 N ATOM 1232 CZ ARG A 122 20.713 -13.002 -16.930 1.00 87.04 C ATOM 1233 NH1 ARG A 122 19.548 -12.619 -16.408 1.00 89.66 N ATOM 1234 NH2 ARG A 122 21.075 -12.495 -18.112 1.00 87.63 N ATOM 1235 HE ARG A 122 22.409 -14.124 -16.755 1.00 0.00 H ATOM 1236 HH12 ARG A 122 18.950 -11.937 -16.916 1.00 0.00 H ATOM 1237 HH11 ARG A 122 19.237 -13.002 -15.493 1.00 0.00 H ATOM 1238 HH22 ARG A 122 20.456 -11.814 -18.597 1.00 0.00 H ATOM 1239 HH21 ARG A 122 21.975 -12.781 -18.547 1.00 0.00 H ATOM 1240 H ARG A 122 16.674 -14.592 -14.547 1.00 0.00 H ATOM 1241 N PHE A 123 17.579 -18.028 -12.348 1.00 64.84 N ATOM 1242 CA PHE A 123 17.057 -18.514 -11.062 1.00 64.68 C ATOM 1243 C PHE A 123 17.980 -19.506 -10.377 1.00 65.99 C ATOM 1244 O PHE A 123 18.909 -20.038 -10.983 1.00 66.26 O ATOM 1245 CB PHE A 123 15.661 -19.121 -11.230 1.00 63.29 C ATOM 1246 CG PHE A 123 15.631 -20.374 -12.058 1.00 62.96 C ATOM 1247 CD1 PHE A 123 15.582 -20.305 -13.440 1.00 61.96 C ATOM 1248 CD2 PHE A 123 15.628 -21.624 -11.462 1.00 64.42 C ATOM 1249 CE1 PHE A 123 15.544 -21.466 -14.214 1.00 61.37 C ATOM 1250 CE2 PHE A 123 15.605 -22.786 -12.237 1.00 64.61 C ATOM 1251 CZ PHE A 123 15.553 -22.697 -13.614 1.00 62.26 C ATOM 1252 H PHE A 123 18.148 -18.660 -12.947 1.00 0.00 H ATOM 1253 N SER A 124 17.694 -19.750 -9.097 1.00 66.22 N ATOM 1254 CA SER A 124 18.527 -20.581 -8.232 1.00 67.16 C ATOM 1255 C SER A 124 18.212 -22.068 -8.389 1.00 66.85 C ATOM 1256 O SER A 124 17.060 -22.470 -8.317 1.00 65.89 O ATOM 1257 CB SER A 124 18.333 -20.158 -6.781 1.00 69.40 C ATOM 1258 OG SER A 124 19.366 -20.653 -5.950 1.00 71.79 O ATOM 1259 HG SER A 124 19.207 -20.359 -5.018 1.00 0.00 H ATOM 1260 H SER A 124 16.834 -19.327 -8.694 1.00 0.00 H ATOM 1261 N CYS A 125 19.245 -22.883 -8.608 1.00 67.46 N ATOM 1262 CA CYS A 125 19.082 -24.342 -8.646 1.00 68.00 C ATOM 1263 C CYS A 125 20.390 -25.093 -8.402 1.00 69.85 C ATOM 1264 O CYS A 125 21.443 -24.681 -8.899 1.00 69.74 O ATOM 1265 CB CYS A 125 18.484 -24.790 -9.980 1.00 66.27 C ATOM 1266 SG CYS A 125 18.461 -26.594 -10.162 1.00 68.32 S ATOM 1267 H CYS A 125 20.190 -22.475 -8.756 1.00 0.00 H ATOM 1268 N ASP A 126 20.309 -26.204 -7.654 1.00 71.22 N ATOM 1269 CA ASP A 126 21.448 -27.111 -7.493 1.00 73.14 C ATOM 1270 C ASP A 126 21.671 -27.847 -8.810 1.00 72.92 C ATOM 1271 O ASP A 126 20.867 -28.701 -9.203 1.00 72.46 O ATOM 1272 CB ASP A 126 21.211 -28.114 -6.360 1.00 75.25 C ATOM 1273 CG ASP A 126 22.447 -28.978 -6.055 1.00 77.67 C ATOM 1274 OD1 ASP A 126 23.419 -28.999 -6.851 1.00 77.61 O ATOM 1275 OD2 ASP A 126 22.412 -29.671 -5.020 1.00 79.29 O ATOM 1276 H ASP A 126 19.413 -26.427 -7.175 1.00 0.00 H ATOM 1277 N VAL A 127 22.776 -27.513 -9.470 1.00 73.58 N ATOM 1278 CA VAL A 127 23.090 -28.043 -10.794 1.00 74.05 C ATOM 1279 C VAL A 127 24.432 -28.774 -10.790 1.00 77.56 C ATOM 1280 O VAL A 127 25.115 -28.828 -11.814 1.00 79.40 O ATOM 1281 CB VAL A 127 23.068 -26.927 -11.872 1.00 71.37 C ATOM 1282 CG1 VAL A 127 21.691 -26.282 -11.929 1.00 69.02 C ATOM 1283 CG2 VAL A 127 24.145 -25.871 -11.634 1.00 71.87 C ATOM 1284 H VAL A 127 23.442 -26.849 -9.026 1.00 0.00 H ATOM 1285 N SER A 128 24.790 -29.365 -9.651 1.00 79.80 N ATOM 1286 CA SER A 128 26.036 -30.130 -9.537 1.00 82.33 C ATOM 1287 C SER A 128 26.001 -31.393 -10.404 1.00 82.99 C ATOM 1288 O SER A 128 27.017 -31.773 -10.994 1.00 84.10 O ATOM 1289 CB SER A 128 26.340 -30.466 -8.069 1.00 85.44 C ATOM 1290 OG SER A 128 25.190 -30.914 -7.385 1.00 85.72 O ATOM 1291 HG SER A 128 24.498 -30.206 -7.406 1.00 0.00 H ATOM 1292 H SER A 128 24.169 -29.282 -8.821 1.00 0.00 H ATOM 1293 N GLY A 129 24.823 -32.011 -10.518 1.00 82.96 N ATOM 1294 CA GLY A 129 24.636 -33.223 -11.336 1.00 85.27 C ATOM 1295 C GLY A 129 24.465 -33.020 -12.829 1.00 85.18 C ATOM 1296 O GLY A 129 24.282 -33.992 -13.558 1.00 85.16 O ATOM 1297 H GLY A 129 24.004 -31.621 -10.009 1.00 0.00 H ATOM 1298 N VAL A 130 24.547 -31.764 -13.298 1.00 85.89 N ATOM 1299 CA VAL A 130 24.334 -31.410 -14.717 1.00 85.01 C ATOM 1300 C VAL A 130 25.296 -32.105 -15.695 1.00 88.91 C ATOM 1301 O VAL A 130 24.979 -32.264 -16.886 1.00 91.51 O ATOM 1302 CB VAL A 130 24.398 -29.873 -14.917 1.00 82.43 C ATOM 1303 CG1 VAL A 130 25.829 -29.352 -14.807 1.00 82.73 C ATOM 1304 CG2 VAL A 130 23.755 -29.465 -16.241 1.00 81.89 C ATOM 1305 H VAL A 130 24.772 -31.001 -12.628 1.00 0.00 H ATOM 1306 N ASP A 131 26.464 -32.503 -15.188 1.00 93.35 N ATOM 1307 CA ASP A 131 27.471 -33.207 -15.965 1.00 96.35 C ATOM 1308 C ASP A 131 27.504 -34.728 -15.686 1.00 98.62 C ATOM 1309 O ASP A 131 28.562 -35.355 -15.786 1.00100.15 O ATOM 1310 CB ASP A 131 28.835 -32.569 -15.671 1.00 99.97 C ATOM 1311 CG ASP A 131 29.783 -32.665 -16.839 1.00103.51 C ATOM 1312 OD1 ASP A 131 29.524 -31.979 -17.851 1.00103.19 O ATOM 1313 OD2 ASP A 131 30.778 -33.424 -16.740 1.00110.07 O ATOM 1314 H ASP A 131 26.664 -32.300 -14.188 1.00 0.00 H ATOM 1315 N THR A 132 26.352 -35.319 -15.354 1.00 97.45 N ATOM 1316 CA THR A 132 26.232 -36.771 -15.147 1.00 99.40 C ATOM 1317 C THR A 132 25.153 -37.368 -16.053 1.00 98.12 C ATOM 1318 O THR A 132 24.418 -36.638 -16.731 1.00 96.95 O ATOM 1319 CB THR A 132 25.904 -37.108 -13.681 1.00101.27 C ATOM 1320 OG1 THR A 132 24.561 -36.714 -13.375 1.00100.34 O ATOM 1321 CG2 THR A 132 26.877 -36.408 -12.738 1.00102.21 C ATOM 1322 HG1 THR A 132 24.465 -35.739 -13.515 1.00 0.00 H ATOM 1323 H THR A 132 25.505 -34.728 -15.237 1.00 0.00 H ATOM 1324 N GLU A 133 25.057 -38.696 -16.054 1.00 99.12 N ATOM 1325 CA GLU A 133 24.077 -39.401 -16.882 1.00 98.49 C ATOM 1326 C GLU A 133 22.640 -39.079 -16.461 1.00 94.82 C ATOM 1327 O GLU A 133 21.786 -38.790 -17.306 1.00 91.84 O ATOM 1328 CB GLU A 133 24.316 -40.904 -16.839 1.00103.43 C ATOM 1329 CG GLU A 133 23.492 -41.705 -17.834 1.00105.39 C ATOM 1330 CD GLU A 133 23.565 -43.185 -17.557 1.00111.28 C ATOM 1331 OE1 GLU A 133 23.281 -43.641 -16.415 1.00114.39 O ATOM 1332 OE2 GLU A 133 23.903 -43.930 -18.501 1.00114.94 O ATOM 1333 H GLU A 133 25.697 -39.249 -15.449 1.00 0.00 H ATOM 1334 N SER A 134 22.401 -39.135 -15.149 1.00 94.54 N ATOM 1335 CA SER A 134 21.088 -38.851 -14.556 1.00 92.51 C ATOM 1336 C SER A 134 20.728 -37.367 -14.578 1.00 88.66 C ATOM 1337 O SER A 134 19.545 -37.023 -14.584 1.00 87.39 O ATOM 1338 CB SER A 134 21.043 -39.379 -13.123 1.00 94.46 C ATOM 1339 OG SER A 134 22.199 -38.979 -12.416 1.00 95.35 O ATOM 1340 HG SER A 134 22.156 -39.328 -11.491 1.00 0.00 H ATOM 1341 H SER A 134 23.184 -39.393 -14.515 1.00 0.00 H ATOM 1342 N GLY A 135 21.734 -36.491 -14.581 1.00 87.31 N ATOM 1343 CA GLY A 135 21.522 -35.059 -14.848 1.00 83.17 C ATOM 1344 C GLY A 135 21.183 -34.242 -13.616 1.00 81.40 C ATOM 1345 O GLY A 135 21.418 -34.678 -12.487 1.00 82.04 O ATOM 1346 H GLY A 135 22.698 -36.830 -14.389 1.00 0.00 H ATOM 1347 N ALA A 136 20.641 -33.045 -13.850 1.00 78.41 N ATOM 1348 CA ALA A 136 20.306 -32.093 -12.787 1.00 76.73 C ATOM 1349 C ALA A 136 18.842 -31.680 -12.886 1.00 75.01 C ATOM 1350 O ALA A 136 18.365 -31.315 -13.959 1.00 72.40 O ATOM 1351 CB ALA A 136 21.197 -30.867 -12.879 1.00 75.31 C ATOM 1352 H ALA A 136 20.447 -32.774 -14.835 1.00 0.00 H ATOM 1353 N THR A 137 18.153 -31.715 -11.748 1.00 75.52 N ATOM 1354 CA THR A 137 16.723 -31.406 -11.669 1.00 73.92 C ATOM 1355 C THR A 137 16.529 -30.026 -11.047 1.00 71.59 C ATOM 1356 O THR A 137 17.173 -29.708 -10.052 1.00 73.02 O ATOM 1357 CB THR A 137 15.997 -32.458 -10.814 1.00 76.51 C ATOM 1358 OG1 THR A 137 16.381 -33.776 -11.245 1.00 79.72 O ATOM 1359 CG2 THR A 137 14.500 -32.320 -10.925 1.00 75.71 C ATOM 1360 HG1 THR A 137 16.134 -33.896 -12.196 1.00 0.00 H ATOM 1361 H THR A 137 18.653 -31.974 -10.874 1.00 0.00 H ATOM 1362 N CYS A 138 15.660 -29.211 -11.634 1.00 68.22 N ATOM 1363 CA CYS A 138 15.363 -27.890 -11.088 1.00 66.13 C ATOM 1364 C CYS A 138 13.868 -27.652 -11.017 1.00 65.37 C ATOM 1365 O CYS A 138 13.119 -28.094 -11.875 1.00 63.66 O ATOM 1366 CB CYS A 138 16.003 -26.786 -11.918 1.00 64.18 C ATOM 1367 SG CYS A 138 17.792 -26.891 -12.029 1.00 65.14 S ATOM 1368 H CYS A 138 15.180 -29.521 -12.503 1.00 0.00 H ATOM 1369 N LYS A 139 13.469 -26.930 -9.976 1.00 66.91 N ATOM 1370 CA LYS A 139 12.072 -26.607 -9.711 1.00 66.58 C ATOM 1371 C LYS A 139 11.822 -25.137 -10.021 1.00 63.94 C ATOM 1372 O LYS A 139 12.705 -24.290 -9.850 1.00 62.61 O ATOM 1373 CB LYS A 139 11.720 -26.908 -8.255 1.00 68.53 C ATOM 1374 CG LYS A 139 11.403 -28.376 -8.029 1.00 70.86 C ATOM 1375 CD LYS A 139 10.933 -28.719 -6.630 1.00 73.86 C ATOM 1376 CE LYS A 139 10.111 -30.008 -6.586 1.00 76.07 C ATOM 1377 NZ LYS A 139 9.185 -29.981 -5.409 1.00 78.36 N ATOM 1378 HZ1 LYS A 139 9.741 -29.897 -4.534 1.00 0.00 H ATOM 1379 HZ2 LYS A 139 8.544 -29.167 -5.493 1.00 0.00 H ATOM 1380 HZ3 LYS A 139 8.630 -30.860 -5.386 1.00 0.00 H ATOM 1381 H LYS A 139 14.191 -26.577 -9.316 1.00 0.00 H ATOM 1382 N LEU A 140 10.608 -24.863 -10.494 1.00 62.84 N ATOM 1383 CA LEU A 140 10.139 -23.502 -10.715 1.00 61.48 C ATOM 1384 C LEU A 140 8.771 -23.377 -10.090 1.00 62.20 C ATOM 1385 O LEU A 140 7.774 -23.857 -10.647 1.00 61.36 O ATOM 1386 CB LEU A 140 10.079 -23.175 -12.201 1.00 59.66 C ATOM 1387 CG LEU A 140 11.474 -23.110 -12.836 1.00 59.10 C ATOM 1388 CD1 LEU A 140 11.867 -24.459 -13.430 1.00 60.11 C ATOM 1389 CD2 LEU A 140 11.533 -22.025 -13.893 1.00 57.12 C ATOM 1390 H LEU A 140 9.969 -25.653 -10.715 1.00 0.00 H ATOM 1391 N LYS A 141 8.748 -22.768 -8.903 1.00 63.12 N ATOM 1392 CA LYS A 141 7.535 -22.580 -8.135 1.00 64.37 C ATOM 1393 C LYS A 141 6.937 -21.224 -8.464 1.00 62.85 C ATOM 1394 O LYS A 141 7.579 -20.178 -8.229 1.00 62.82 O ATOM 1395 CB LYS A 141 7.845 -22.649 -6.643 1.00 66.84 C ATOM 1396 CG LYS A 141 6.632 -22.781 -5.744 1.00 69.30 C ATOM 1397 CD LYS A 141 7.096 -22.942 -4.308 1.00 72.28 C ATOM 1398 CE LYS A 141 5.932 -23.173 -3.374 1.00 75.41 C ATOM 1399 NZ LYS A 141 6.393 -23.514 -2.002 1.00 78.62 N ATOM 1400 HZ1 LYS A 141 6.966 -24.381 -2.036 1.00 0.00 H ATOM 1401 HZ2 LYS A 141 6.967 -22.732 -1.626 1.00 0.00 H ATOM 1402 HZ3 LYS A 141 5.567 -23.666 -1.388 1.00 0.00 H ATOM 1403 H LYS A 141 9.643 -22.412 -8.511 1.00 0.00 H ATOM 1404 N PHE A 142 5.712 -21.244 -9.004 1.00 62.30 N ATOM 1405 CA PHE A 142 4.940 -20.028 -9.223 1.00 61.47 C ATOM 1406 C PHE A 142 3.730 -19.915 -8.302 1.00 61.79 C ATOM 1407 O PHE A 142 3.089 -20.933 -7.968 1.00 62.65 O ATOM 1408 CB PHE A 142 4.454 -19.933 -10.676 1.00 60.90 C ATOM 1409 CG PHE A 142 5.561 -19.815 -11.692 1.00 60.24 C ATOM 1410 CD1 PHE A 142 6.142 -20.944 -12.228 1.00 60.81 C ATOM 1411 CD2 PHE A 142 5.990 -18.561 -12.135 1.00 59.97 C ATOM 1412 CE1 PHE A 142 7.159 -20.841 -13.196 1.00 60.31 C ATOM 1413 CE2 PHE A 142 6.979 -18.433 -13.098 1.00 59.34 C ATOM 1414 CZ PHE A 142 7.559 -19.575 -13.661 1.00 59.69 C ATOM 1415 H PHE A 142 5.298 -22.158 -9.276 1.00 0.00 H ATOM 1416 N GLY A 143 3.414 -18.669 -7.931 1.00 60.91 N ATOM 1417 CA GLY A 143 2.183 -18.367 -7.196 1.00 62.23 C ATOM 1418 C GLY A 143 1.954 -16.888 -6.925 1.00 61.92 C ATOM 1419 O GLY A 143 2.870 -16.063 -7.118 1.00 60.81 O ATOM 1420 H GLY A 143 4.062 -17.892 -8.172 1.00 0.00 H ATOM 1421 N SER A 144 0.733 -16.554 -6.485 1.00 63.21 N ATOM 1422 CA SER A 144 0.356 -15.170 -6.120 1.00 63.90 C ATOM 1423 C SER A 144 1.110 -14.715 -4.872 1.00 65.82 C ATOM 1424 O SER A 144 1.282 -15.491 -3.916 1.00 68.06 O ATOM 1425 CB SER A 144 -1.171 -15.048 -5.872 1.00 65.39 C ATOM 1426 OG SER A 144 -1.544 -13.885 -5.121 1.00 66.72 O ATOM 1427 HG SER A 144 -1.259 -13.073 -5.610 1.00 0.00 H ATOM 1428 H SER A 144 0.017 -17.303 -6.396 1.00 0.00 H ATOM 1429 N TRP A 145 1.562 -13.464 -4.891 1.00 65.49 N ATOM 1430 CA TRP A 145 2.246 -12.852 -3.751 1.00 67.03 C ATOM 1431 C TRP A 145 1.307 -12.453 -2.609 1.00 69.89 C ATOM 1432 O TRP A 145 1.672 -12.636 -1.459 1.00 72.46 O ATOM 1433 CB TRP A 145 3.048 -11.632 -4.223 1.00 66.06 C ATOM 1434 CG TRP A 145 4.004 -11.051 -3.216 1.00 67.66 C ATOM 1435 CD1 TRP A 145 4.048 -9.758 -2.788 1.00 69.36 C ATOM 1436 CD2 TRP A 145 5.059 -11.735 -2.536 1.00 68.55 C ATOM 1437 NE1 TRP A 145 5.067 -9.594 -1.877 1.00 71.36 N ATOM 1438 CE2 TRP A 145 5.704 -10.792 -1.708 1.00 70.67 C ATOM 1439 CE3 TRP A 145 5.525 -13.058 -2.543 1.00 68.29 C ATOM 1440 CZ2 TRP A 145 6.773 -11.127 -0.888 1.00 72.15 C ATOM 1441 CZ3 TRP A 145 6.599 -13.394 -1.732 1.00 69.81 C ATOM 1442 CH2 TRP A 145 7.212 -12.428 -0.913 1.00 71.74 C ATOM 1443 HE1 TRP A 145 5.312 -8.705 -1.396 1.00 0.00 H ATOM 1444 H TRP A 145 1.424 -12.897 -5.752 1.00 0.00 H ATOM 1445 N THR A 146 0.125 -11.904 -2.902 1.00 70.52 N ATOM 1446 CA THR A 146 -0.777 -11.410 -1.841 1.00 73.72 C ATOM 1447 C THR A 146 -2.149 -12.082 -1.709 1.00 76.08 C ATOM 1448 O THR A 146 -2.833 -11.832 -0.708 1.00 79.16 O ATOM 1449 CB THR A 146 -1.023 -9.894 -1.962 1.00 73.84 C ATOM 1450 OG1 THR A 146 -1.816 -9.612 -3.127 1.00 72.20 O ATOM 1451 CG2 THR A 146 0.295 -9.146 -2.022 1.00 72.88 C ATOM 1452 HG1 THR A 146 -1.339 -9.929 -3.934 1.00 0.00 H ATOM 1453 H THR A 146 -0.166 -11.823 -3.897 1.00 0.00 H ATOM 1454 N HIS A 147 -2.567 -12.903 -2.689 1.00 75.54 N ATOM 1455 CA HIS A 147 -3.947 -13.432 -2.698 1.00 78.09 C ATOM 1456 C HIS A 147 -4.058 -14.932 -2.336 1.00 79.86 C ATOM 1457 O HIS A 147 -3.329 -15.773 -2.896 1.00 77.43 O ATOM 1458 CB HIS A 147 -4.591 -13.157 -4.051 1.00 76.91 C ATOM 1459 CG HIS A 147 -4.834 -11.705 -4.323 1.00 77.15 C ATOM 1460 ND1 HIS A 147 -5.761 -10.966 -3.628 1.00 79.28 N ATOM 1461 CD2 HIS A 147 -4.285 -10.861 -5.234 1.00 75.83 C ATOM 1462 CE1 HIS A 147 -5.770 -9.726 -4.091 1.00 79.27 C ATOM 1463 NE2 HIS A 147 -4.879 -9.636 -5.060 1.00 76.91 N ATOM 1464 H HIS A 147 -1.910 -13.169 -3.450 1.00 0.00 H ATOM 1465 N HIS A 148 -4.974 -15.248 -1.402 1.00 84.63 N ATOM 1466 CA HIS A 148 -5.241 -16.648 -0.986 1.00 87.86 C ATOM 1467 C HIS A 148 -6.323 -17.315 -1.862 1.00 88.23 C ATOM 1468 O HIS A 148 -6.917 -16.647 -2.712 1.00 87.61 O ATOM 1469 CB HIS A 148 -5.583 -16.759 0.524 1.00 92.08 C ATOM 1470 CG HIS A 148 -6.691 -15.872 0.991 1.00 95.38 C ATOM 1471 ND1 HIS A 148 -8.015 -16.079 0.669 1.00 97.84 N ATOM 1472 CD2 HIS A 148 -6.669 -14.779 1.788 1.00 97.53 C ATOM 1473 CE1 HIS A 148 -8.760 -15.142 1.231 1.00100.24 C ATOM 1474 NE2 HIS A 148 -7.967 -14.338 1.917 1.00100.20 N ATOM 1475 H HIS A 148 -5.516 -14.482 -0.954 1.00 0.00 H ATOM 1476 N SER A 149 -6.551 -18.620 -1.670 1.00 89.71 N ATOM 1477 CA SER A 149 -7.494 -19.397 -2.504 1.00 89.63 C ATOM 1478 C SER A 149 -8.900 -18.808 -2.679 1.00 91.91 C ATOM 1479 O SER A 149 -9.444 -18.838 -3.781 1.00 91.72 O ATOM 1480 CB SER A 149 -7.625 -20.816 -1.965 1.00 92.09 C ATOM 1481 OG SER A 149 -6.390 -21.495 -2.044 1.00 90.21 O ATOM 1482 HG SER A 149 -6.496 -22.413 -1.690 1.00 0.00 H ATOM 1483 H SER A 149 -6.045 -19.107 -0.903 1.00 0.00 H ATOM 1484 N ARG A 150 -9.480 -18.266 -1.614 1.00 95.51 N ATOM 1485 CA ARG A 150 -10.833 -17.677 -1.677 1.00 98.68 C ATOM 1486 C ARG A 150 -10.937 -16.380 -2.502 1.00 95.98 C ATOM 1487 O ARG A 150 -12.049 -15.949 -2.809 1.00 96.23 O ATOM 1488 CB ARG A 150 -11.377 -17.402 -0.269 1.00104.16 C ATOM 1489 CG ARG A 150 -11.531 -18.614 0.633 1.00108.42 C ATOM 1490 CD ARG A 150 -12.611 -19.589 0.171 1.00111.52 C ATOM 1491 NE ARG A 150 -12.702 -20.753 1.049 1.00115.72 N ATOM 1492 CZ ARG A 150 -11.825 -21.765 1.100 1.00116.30 C ATOM 1493 NH1 ARG A 150 -10.735 -21.790 0.323 1.00113.24 N ATOM 1494 NH2 ARG A 150 -12.032 -22.769 1.956 1.00120.07 N ATOM 1495 HE ARG A 150 -13.519 -20.800 1.691 1.00 0.00 H ATOM 1496 HH12 ARG A 150 -10.071 -22.588 0.384 1.00 0.00 H ATOM 1497 HH11 ARG A 150 -10.552 -21.011 -0.341 1.00 0.00 H ATOM 1498 HH22 ARG A 150 -11.358 -23.559 2.004 1.00 0.00 H ATOM 1499 HH21 ARG A 150 -12.868 -22.761 2.575 1.00 0.00 H ATOM 1500 H ARG A 150 -8.967 -18.256 -0.710 1.00 0.00 H ATOM 1501 N GLU A 151 -9.798 -15.752 -2.817 1.00 93.91 N ATOM 1502 CA GLU A 151 -9.733 -14.581 -3.709 1.00 93.11 C ATOM 1503 C GLU A 151 -9.214 -14.926 -5.121 1.00 88.38 C ATOM 1504 O GLU A 151 -9.801 -14.487 -6.121 1.00 85.94 O ATOM 1505 CB GLU A 151 -8.857 -13.474 -3.097 1.00 94.72 C ATOM 1506 CG GLU A 151 -9.495 -12.730 -1.927 1.00 99.90 C ATOM 1507 CD GLU A 151 -8.726 -11.471 -1.528 1.00101.35 C ATOM 1508 OE1 GLU A 151 -7.494 -11.570 -1.285 1.00101.59 O ATOM 1509 OE2 GLU A 151 -9.340 -10.377 -1.474 1.00102.75 O ATOM 1510 H GLU A 151 -8.910 -16.110 -2.410 1.00 0.00 H ATOM 1511 N LEU A 152 -8.114 -15.685 -5.200 1.00 85.49 N ATOM 1512 CA LEU A 152 -7.482 -16.028 -6.477 1.00 81.29 C ATOM 1513 C LEU A 152 -7.206 -17.528 -6.556 1.00 80.00 C ATOM 1514 O LEU A 152 -6.256 -18.029 -5.924 1.00 79.04 O ATOM 1515 CB LEU A 152 -6.181 -15.245 -6.653 1.00 79.59 C ATOM 1516 CG LEU A 152 -5.498 -15.253 -8.033 1.00 78.16 C ATOM 1517 CD1 LEU A 152 -4.498 -14.080 -8.104 1.00 76.90 C ATOM 1518 CD2 LEU A 152 -4.849 -16.597 -8.387 1.00 77.26 C ATOM 1519 H LEU A 152 -7.691 -16.045 -4.321 1.00 0.00 H ATOM 1520 N ASP A 153 -8.026 -18.232 -7.346 1.00 78.93 N ATOM 1521 CA ASP A 153 -7.915 -19.679 -7.525 1.00 78.82 C ATOM 1522 C ASP A 153 -6.917 -20.011 -8.626 1.00 74.76 C ATOM 1523 O ASP A 153 -7.265 -20.005 -9.807 1.00 73.90 O ATOM 1524 CB ASP A 153 -9.296 -20.282 -7.842 1.00 81.61 C ATOM 1525 CG ASP A 153 -9.246 -21.810 -8.099 1.00 83.24 C ATOM 1526 OD1 ASP A 153 -8.318 -22.509 -7.617 1.00 83.15 O ATOM 1527 OD2 ASP A 153 -10.162 -22.311 -8.790 1.00 84.97 O ATOM 1528 H ASP A 153 -8.777 -17.726 -7.857 1.00 0.00 H ATOM 1529 N LEU A 154 -5.682 -20.319 -8.227 1.00 72.36 N ATOM 1530 CA LEU A 154 -4.651 -20.713 -9.176 1.00 69.23 C ATOM 1531 C LEU A 154 -4.923 -22.139 -9.658 1.00 70.56 C ATOM 1532 O LEU A 154 -5.145 -23.032 -8.839 1.00 72.41 O ATOM 1533 CB LEU A 154 -3.272 -20.647 -8.514 1.00 67.61 C ATOM 1534 CG LEU A 154 -2.055 -20.777 -9.444 1.00 64.87 C ATOM 1535 CD1 LEU A 154 -2.064 -19.697 -10.533 1.00 62.79 C ATOM 1536 CD2 LEU A 154 -0.767 -20.798 -8.639 1.00 64.36 C ATOM 1537 H LEU A 154 -5.450 -20.277 -7.214 1.00 0.00 H ATOM 1538 N GLN A 155 -4.917 -22.337 -10.981 1.00 70.17 N ATOM 1539 CA GLN A 155 -5.131 -23.666 -11.584 1.00 71.77 C ATOM 1540 C GLN A 155 -4.123 -23.926 -12.681 1.00 69.99 C ATOM 1541 O GLN A 155 -3.963 -23.096 -13.564 1.00 68.43 O ATOM 1542 CB GLN A 155 -6.531 -23.752 -12.182 1.00 73.48 C ATOM 1543 CG GLN A 155 -7.644 -23.769 -11.150 1.00 76.37 C ATOM 1544 CD GLN A 155 -7.628 -25.023 -10.292 1.00 78.78 C ATOM 1545 OE1 GLN A 155 -7.058 -26.065 -10.671 1.00 78.06 O ATOM 1546 NE2 GLN A 155 -8.244 -24.924 -9.122 1.00 81.79 N ATOM 1547 HE22 GLN A 155 -8.705 -24.032 -8.851 1.00 0.00 H ATOM 1548 HE21 GLN A 155 -8.266 -25.738 -8.475 1.00 0.00 H ATOM 1549 H GLN A 155 -4.755 -21.523 -11.608 1.00 0.00 H ATOM 1550 N MET A 156 -3.460 -25.080 -12.641 1.00 71.10 N ATOM 1551 CA MET A 156 -2.451 -25.358 -13.663 1.00 69.93 C ATOM 1552 C MET A 156 -3.097 -25.965 -14.895 1.00 71.85 C ATOM 1553 O MET A 156 -4.231 -26.450 -14.836 1.00 74.31 O ATOM 1554 CB MET A 156 -1.287 -26.201 -13.154 1.00 69.44 C ATOM 1555 CG MET A 156 -1.541 -27.655 -12.873 1.00 71.71 C ATOM 1556 SD MET A 156 0.049 -28.455 -12.553 1.00 70.99 S ATOM 1557 CE MET A 156 -0.477 -30.188 -12.583 1.00 75.01 C ATOM 1558 H MET A 156 -3.657 -25.775 -11.893 1.00 0.00 H ATOM 1559 N GLN A 157 -2.382 -25.873 -16.012 1.00 71.78 N ATOM 1560 CA GLN A 157 -2.743 -26.533 -17.255 1.00 73.42 C ATOM 1561 C GLN A 157 -1.509 -27.158 -17.846 1.00 73.34 C ATOM 1562 O GLN A 157 -0.374 -26.807 -17.439 1.00 71.62 O ATOM 1563 CB GLN A 157 -3.365 -25.531 -18.245 1.00 72.29 C ATOM 1564 CG GLN A 157 -4.776 -25.117 -17.848 1.00 73.97 C ATOM 1565 CD GLN A 157 -5.744 -25.028 -19.032 1.00 75.49 C ATOM 1566 OE1 GLN A 157 -5.638 -24.123 -19.847 1.00 73.85 O ATOM 1567 NE2 GLN A 157 -6.648 -26.002 -19.141 1.00 78.54 N ATOM 1568 HE22 GLN A 157 -6.697 -26.749 -18.419 1.00 0.00 H ATOM 1569 HE21 GLN A 157 -7.304 -26.014 -19.948 1.00 0.00 H ATOM 1570 H GLN A 157 -1.516 -25.297 -15.995 1.00 0.00 H ATOM 1571 N GLU A 158 -1.704 -28.078 -18.787 1.00 74.35 N ATOM 1572 CA GLU A 158 -0.618 -28.979 -19.168 1.00 74.35 C ATOM 1573 C GLU A 158 0.436 -28.271 -20.001 1.00 70.63 C ATOM 1574 O GLU A 158 0.130 -27.623 -20.978 1.00 69.69 O ATOM 1575 CB GLU A 158 -1.156 -30.267 -19.825 1.00 78.30 C ATOM 1576 CG GLU A 158 -1.916 -31.155 -18.844 1.00 82.75 C ATOM 1577 CD GLU A 158 -1.072 -32.266 -18.214 1.00 84.56 C ATOM 1578 OE1 GLU A 158 -0.954 -33.301 -18.904 1.00 86.01 O ATOM 1579 OE2 GLU A 158 -0.557 -32.102 -17.055 1.00 83.91 O ATOM 1580 H GLU A 158 -2.631 -28.156 -19.252 1.00 0.00 H ATOM 1581 N ALA A 159 1.681 -28.379 -19.549 1.00 69.28 N ATOM 1582 CA ALA A 159 2.816 -27.583 -20.038 1.00 68.06 C ATOM 1583 C ALA A 159 3.531 -28.339 -21.138 1.00 70.46 C ATOM 1584 O ALA A 159 3.281 -29.552 -21.352 1.00 77.31 O ATOM 1585 CB ALA A 159 3.783 -27.239 -18.918 1.00 66.69 C ATOM 1586 H ALA A 159 1.865 -29.074 -18.798 1.00 0.00 H ATOM 1587 N ASP A 160 4.357 -27.614 -21.906 1.00 67.98 N ATOM 1588 CA ASP A 160 4.972 -28.184 -23.132 1.00 68.44 C ATOM 1589 C ASP A 160 6.476 -28.009 -23.155 1.00 65.87 C ATOM 1590 O ASP A 160 7.063 -27.245 -22.400 1.00 63.44 O ATOM 1591 CB ASP A 160 4.248 -27.766 -24.467 1.00 69.81 C ATOM 1592 CG ASP A 160 4.471 -26.368 -24.833 1.00 70.13 C ATOM 1593 OD1 ASP A 160 5.643 -25.941 -24.781 1.00 71.00 O ATOM 1594 OD2 ASP A 160 3.486 -25.678 -25.257 1.00 76.79 O ATOM 1595 H ASP A 160 4.571 -26.632 -21.638 1.00 0.00 H ATOM 1596 N ILE A 161 7.094 -28.809 -24.012 1.00 66.34 N ATOM 1597 CA ILE A 161 8.483 -28.645 -24.472 1.00 64.90 C ATOM 1598 C ILE A 161 8.546 -28.701 -26.021 1.00 65.94 C ATOM 1599 O ILE A 161 9.604 -29.017 -26.590 1.00 67.15 O ATOM 1600 CB ILE A 161 9.425 -29.698 -23.835 1.00 65.05 C ATOM 1601 CG1 ILE A 161 8.999 -31.143 -24.166 1.00 68.02 C ATOM 1602 CG2 ILE A 161 9.465 -29.511 -22.333 1.00 64.42 C ATOM 1603 CD1 ILE A 161 10.126 -32.149 -24.122 1.00 69.69 C ATOM 1604 H ILE A 161 6.556 -29.615 -24.389 1.00 0.00 H ATOM 1605 N SER A 162 7.423 -28.440 -26.704 1.00 65.26 N ATOM 1606 CA SER A 162 7.370 -28.519 -28.172 1.00 65.38 C ATOM 1607 C SER A 162 8.134 -27.373 -28.820 1.00 63.05 C ATOM 1608 O SER A 162 8.591 -27.485 -29.958 1.00 64.23 O ATOM 1609 CB SER A 162 5.930 -28.559 -28.685 1.00 66.27 C ATOM 1610 OG SER A 162 5.203 -27.435 -28.298 1.00 63.50 O ATOM 1611 HG SER A 162 4.280 -27.503 -28.650 1.00 0.00 H ATOM 1612 H SER A 162 6.564 -28.174 -26.181 1.00 0.00 H ATOM 1613 N GLY A 163 8.278 -26.281 -28.085 1.00 60.68 N ATOM 1614 CA GLY A 163 9.116 -25.166 -28.511 1.00 59.66 C ATOM 1615 C GLY A 163 10.598 -25.266 -28.207 1.00 59.08 C ATOM 1616 O GLY A 163 11.327 -24.354 -28.572 1.00 58.31 O ATOM 1617 H GLY A 163 7.778 -26.216 -27.175 1.00 0.00 H ATOM 1618 N TYR A 164 11.061 -26.316 -27.530 1.00 59.91 N ATOM 1619 CA TYR A 164 12.456 -26.363 -27.075 1.00 59.81 C ATOM 1620 C TYR A 164 13.450 -26.292 -28.248 1.00 60.70 C ATOM 1621 O TYR A 164 13.203 -26.826 -29.326 1.00 62.08 O ATOM 1622 CB TYR A 164 12.750 -27.576 -26.182 1.00 60.52 C ATOM 1623 CG TYR A 164 14.094 -27.493 -25.470 1.00 60.38 C ATOM 1624 CD1 TYR A 164 14.311 -26.569 -24.452 1.00 58.65 C ATOM 1625 CD2 TYR A 164 15.158 -28.330 -25.830 1.00 62.67 C ATOM 1626 CE1 TYR A 164 15.539 -26.477 -23.809 1.00 58.84 C ATOM 1627 CE2 TYR A 164 16.391 -28.251 -25.182 1.00 62.79 C ATOM 1628 CZ TYR A 164 16.579 -27.318 -24.173 1.00 60.73 C ATOM 1629 OH TYR A 164 17.789 -27.239 -23.523 1.00 60.91 O ATOM 1630 HH TYR A 164 18.501 -27.029 -24.178 1.00 0.00 H ATOM 1631 H TYR A 164 10.426 -27.113 -27.321 1.00 0.00 H ATOM 1632 N ILE A 165 14.563 -25.591 -28.017 1.00 60.46 N ATOM 1633 CA ILE A 165 15.581 -25.375 -29.043 1.00 61.64 C ATOM 1634 C ILE A 165 16.509 -26.615 -29.153 1.00 63.90 C ATOM 1635 O ILE A 165 17.063 -27.082 -28.145 1.00 63.34 O ATOM 1636 CB ILE A 165 16.386 -24.078 -28.756 1.00 60.73 C ATOM 1637 CG1 ILE A 165 15.470 -22.837 -28.869 1.00 59.15 C ATOM 1638 CG2 ILE A 165 17.599 -23.934 -29.698 1.00 62.40 C ATOM 1639 CD1 ILE A 165 15.186 -22.361 -30.268 1.00 59.71 C ATOM 1640 H ILE A 165 14.711 -25.184 -27.072 1.00 0.00 H ATOM 1641 N PRO A 166 16.680 -27.154 -30.376 1.00 66.03 N ATOM 1642 CA PRO A 166 17.561 -28.305 -30.578 1.00 68.57 C ATOM 1643 C PRO A 166 19.064 -28.024 -30.483 1.00 69.10 C ATOM 1644 O PRO A 166 19.809 -28.913 -30.085 1.00 72.01 O ATOM 1645 CB PRO A 166 17.215 -28.769 -31.999 1.00 70.75 C ATOM 1646 CG PRO A 166 16.709 -27.560 -32.680 1.00 69.59 C ATOM 1647 CD PRO A 166 15.992 -26.777 -31.624 1.00 66.82 C ATOM 1648 N TYR A 167 19.504 -26.822 -30.840 1.00 67.87 N ATOM 1649 CA TYR A 167 20.944 -26.519 -30.916 1.00 69.34 C ATOM 1650 C TYR A 167 21.594 -26.039 -29.605 1.00 69.29 C ATOM 1651 O TYR A 167 22.796 -25.784 -29.589 1.00 69.78 O ATOM 1652 CB TYR A 167 21.266 -25.556 -32.078 1.00 70.07 C ATOM 1653 CG TYR A 167 20.424 -24.303 -32.176 1.00 68.31 C ATOM 1654 CD1 TYR A 167 20.787 -23.137 -31.511 1.00 67.52 C ATOM 1655 CD2 TYR A 167 19.274 -24.273 -32.968 1.00 68.19 C ATOM 1656 CE1 TYR A 167 20.014 -21.977 -31.612 1.00 66.20 C ATOM 1657 CE2 TYR A 167 18.497 -23.127 -33.072 1.00 66.96 C ATOM 1658 CZ TYR A 167 18.866 -21.980 -32.399 1.00 65.82 C ATOM 1659 OH TYR A 167 18.091 -20.846 -32.520 1.00 64.12 O ATOM 1660 HH TYR A 167 18.488 -20.117 -31.980 1.00 0.00 H ATOM 1661 H TYR A 167 18.816 -26.077 -31.071 1.00 0.00 H ATOM 1662 N SER A 168 20.831 -25.946 -28.505 1.00 69.58 N ATOM 1663 CA SER A 168 21.408 -25.615 -27.187 1.00 70.26 C ATOM 1664 C SER A 168 22.223 -26.800 -26.696 1.00 71.59 C ATOM 1665 O SER A 168 21.905 -27.931 -27.040 1.00 72.77 O ATOM 1666 CB SER A 168 20.323 -25.223 -26.161 1.00 70.03 C ATOM 1667 OG SER A 168 19.728 -26.354 -25.536 1.00 72.93 O ATOM 1668 HG SER A 168 19.042 -26.050 -24.890 1.00 0.00 H ATOM 1669 H SER A 168 19.807 -26.111 -28.583 1.00 0.00 H ATOM 1670 N ARG A 169 23.258 -26.537 -25.895 1.00 72.05 N ATOM 1671 CA ARG A 169 24.172 -27.605 -25.432 1.00 74.72 C ATOM 1672 C ARG A 169 23.657 -28.431 -24.221 1.00 73.79 C ATOM 1673 O ARG A 169 24.372 -29.308 -23.688 1.00 74.35 O ATOM 1674 CB ARG A 169 25.586 -27.062 -25.183 1.00 76.22 C ATOM 1675 CG ARG A 169 25.725 -26.094 -24.022 1.00 75.44 C ATOM 1676 CD ARG A 169 27.168 -25.630 -23.855 1.00 77.23 C ATOM 1677 NE ARG A 169 27.357 -25.031 -22.528 1.00 76.06 N ATOM 1678 CZ ARG A 169 26.973 -23.809 -22.171 1.00 73.38 C ATOM 1679 NH1 ARG A 169 26.369 -22.984 -23.022 1.00 71.62 N ATOM 1680 NH2 ARG A 169 27.211 -23.407 -20.929 1.00 73.75 N ATOM 1681 HE ARG A 169 27.831 -25.611 -21.807 1.00 0.00 H ATOM 1682 HH12 ARG A 169 26.081 -22.034 -22.710 1.00 0.00 H ATOM 1683 HH11 ARG A 169 26.184 -23.289 -23.999 1.00 0.00 H ATOM 1684 HH22 ARG A 169 26.920 -22.456 -20.626 1.00 0.00 H ATOM 1685 HH21 ARG A 169 27.688 -24.043 -20.259 1.00 0.00 H ATOM 1686 H ARG A 169 23.426 -25.557 -25.589 1.00 0.00 H ATOM 1687 N PHE A 170 22.422 -28.147 -23.807 1.00 71.60 N ATOM 1688 CA PHE A 170 21.717 -28.917 -22.801 1.00 72.22 C ATOM 1689 C PHE A 170 20.583 -29.714 -23.429 1.00 72.66 C ATOM 1690 O PHE A 170 19.818 -29.157 -24.229 1.00 70.76 O ATOM 1691 CB PHE A 170 21.146 -27.967 -21.758 1.00 71.11 C ATOM 1692 CG PHE A 170 22.172 -27.031 -21.200 1.00 72.03 C ATOM 1693 CD1 PHE A 170 23.070 -27.470 -20.234 1.00 74.39 C ATOM 1694 CD2 PHE A 170 22.278 -25.728 -21.670 1.00 71.36 C ATOM 1695 CE1 PHE A 170 24.052 -26.632 -19.752 1.00 74.36 C ATOM 1696 CE2 PHE A 170 23.250 -24.880 -21.172 1.00 71.27 C ATOM 1697 CZ PHE A 170 24.148 -25.338 -20.226 1.00 72.57 C ATOM 1698 H PHE A 170 21.938 -27.329 -24.229 1.00 0.00 H ATOM 1699 N GLU A 171 20.483 -31.006 -23.079 1.00 75.03 N ATOM 1700 CA GLU A 171 19.331 -31.833 -23.524 1.00 75.60 C ATOM 1701 C GLU A 171 18.385 -32.090 -22.358 1.00 74.24 C ATOM 1702 O GLU A 171 18.820 -32.095 -21.209 1.00 76.12 O ATOM 1703 CB GLU A 171 19.771 -33.149 -24.181 1.00 78.86 C ATOM 1704 CG GLU A 171 20.412 -34.187 -23.270 1.00 82.03 C ATOM 1705 CD GLU A 171 20.989 -35.392 -24.020 1.00 86.04 C ATOM 1706 OE1 GLU A 171 20.768 -35.509 -25.242 1.00 87.79 O ATOM 1707 OE2 GLU A 171 21.677 -36.224 -23.397 1.00 86.97 O ATOM 1708 H GLU A 171 21.223 -31.435 -22.487 1.00 0.00 H ATOM 1709 N LEU A 172 17.097 -32.257 -22.647 1.00 72.15 N ATOM 1710 CA LEU A 172 16.092 -32.515 -21.599 1.00 70.31 C ATOM 1711 C LEU A 172 15.942 -34.007 -21.356 1.00 71.42 C ATOM 1712 O LEU A 172 15.755 -34.765 -22.297 1.00 72.21 O ATOM 1713 CB LEU A 172 14.727 -31.946 -21.987 1.00 69.16 C ATOM 1714 CG LEU A 172 14.630 -30.465 -22.313 1.00 67.16 C ATOM 1715 CD1 LEU A 172 13.224 -30.123 -22.737 1.00 66.43 C ATOM 1716 CD2 LEU A 172 15.007 -29.648 -21.090 1.00 66.33 C ATOM 1717 H LEU A 172 16.791 -32.204 -23.639 1.00 0.00 H ATOM 1718 N VAL A 173 16.024 -34.422 -20.093 1.00 71.51 N ATOM 1719 CA VAL A 173 15.820 -35.819 -19.709 1.00 73.96 C ATOM 1720 C VAL A 173 14.374 -36.051 -19.242 1.00 74.30 C ATOM 1721 O VAL A 173 13.834 -37.136 -19.470 1.00 76.05 O ATOM 1722 CB VAL A 173 16.852 -36.259 -18.653 1.00 74.92 C ATOM 1723 CG1 VAL A 173 16.627 -37.702 -18.232 1.00 78.42 C ATOM 1724 CG2 VAL A 173 18.264 -36.081 -19.215 1.00 74.68 C ATOM 1725 H VAL A 173 16.241 -33.726 -19.351 1.00 0.00 H ATOM 1726 N GLY A 174 13.749 -35.053 -18.610 1.00 72.74 N ATOM 1727 CA GLY A 174 12.333 -35.157 -18.248 1.00 73.79 C ATOM 1728 C GLY A 174 11.702 -33.909 -17.668 1.00 72.49 C ATOM 1729 O GLY A 174 12.414 -32.962 -17.266 1.00 70.95 O ATOM 1730 H GLY A 174 14.276 -34.189 -18.371 1.00 0.00 H ATOM 1731 N VAL A 175 10.368 -33.854 -17.703 1.00 74.18 N ATOM 1732 CA VAL A 175 9.596 -32.791 -17.047 1.00 74.63 C ATOM 1733 C VAL A 175 8.461 -33.358 -16.215 1.00 77.31 C ATOM 1734 O VAL A 175 8.044 -34.515 -16.422 1.00 79.56 O ATOM 1735 CB VAL A 175 9.003 -31.733 -18.037 1.00 73.46 C ATOM 1736 CG1 VAL A 175 10.115 -30.852 -18.616 1.00 71.99 C ATOM 1737 CG2 VAL A 175 8.164 -32.387 -19.148 1.00 74.18 C ATOM 1738 H VAL A 175 9.853 -34.597 -18.218 1.00 0.00 H ATOM 1739 N THR A 176 7.982 -32.555 -15.260 1.00 76.51 N ATOM 1740 CA THR A 176 6.781 -32.878 -14.490 1.00 77.38 C ATOM 1741 C THR A 176 6.174 -31.596 -13.907 1.00 75.42 C ATOM 1742 O THR A 176 6.858 -30.577 -13.838 1.00 75.09 O ATOM 1743 CB THR A 176 7.068 -33.901 -13.369 1.00 79.57 C ATOM 1744 OG1 THR A 176 5.861 -34.165 -12.651 1.00 82.67 O ATOM 1745 CG2 THR A 176 8.153 -33.414 -12.414 1.00 78.67 C ATOM 1746 HG1 THR A 176 6.043 -34.821 -11.932 1.00 0.00 H ATOM 1747 H THR A 176 8.482 -31.666 -15.057 1.00 0.00 H ATOM 1748 N GLN A 177 4.903 -31.630 -13.509 1.00 75.43 N ATOM 1749 CA GLN A 177 4.244 -30.456 -12.923 1.00 74.08 C ATOM 1750 C GLN A 177 3.261 -30.856 -11.841 1.00 77.02 C ATOM 1751 O GLN A 177 2.667 -31.928 -11.912 1.00 78.16 O ATOM 1752 CB GLN A 177 3.512 -29.645 -13.996 1.00 71.79 C ATOM 1753 CG GLN A 177 2.440 -30.419 -14.733 1.00 73.42 C ATOM 1754 CD GLN A 177 1.835 -29.645 -15.880 1.00 71.38 C ATOM 1755 OE1 GLN A 177 2.169 -29.900 -17.045 1.00 71.09 O ATOM 1756 NE2 GLN A 177 0.992 -28.674 -15.574 1.00 70.77 N ATOM 1757 HE22 GLN A 177 0.741 -28.497 -14.580 1.00 0.00 H ATOM 1758 HE21 GLN A 177 0.580 -28.087 -16.327 1.00 0.00 H ATOM 1759 H GLN A 177 4.363 -32.512 -13.616 1.00 0.00 H ATOM 1760 N LYS A 178 3.074 -29.986 -10.849 1.00 78.29 N ATOM 1761 CA LYS A 178 2.237 -30.292 -9.694 1.00 80.84 C ATOM 1762 C LYS A 178 1.647 -29.044 -9.054 1.00 79.87 C ATOM 1763 O LYS A 178 2.371 -28.098 -8.726 1.00 79.67 O ATOM 1764 CB LYS A 178 3.073 -31.017 -8.660 1.00 83.83 C ATOM 1765 CG LYS A 178 2.277 -31.486 -7.440 1.00 89.03 C ATOM 1766 CD LYS A 178 3.141 -32.087 -6.365 1.00 91.31 C ATOM 1767 CE LYS A 178 2.276 -32.473 -5.182 1.00 94.84 C ATOM 1768 NZ LYS A 178 3.083 -32.583 -3.935 1.00 97.41 N ATOM 1769 HZ1 LYS A 178 3.816 -33.310 -4.061 1.00 0.00 H ATOM 1770 HZ2 LYS A 178 3.532 -31.667 -3.732 1.00 0.00 H ATOM 1771 HZ3 LYS A 178 2.462 -32.848 -3.144 1.00 0.00 H ATOM 1772 H LYS A 178 3.540 -29.058 -10.900 1.00 0.00 H ATOM 1773 N ARG A 179 0.331 -29.039 -8.874 1.00 81.00 N ATOM 1774 CA ARG A 179 -0.349 -28.010 -8.104 1.00 81.13 C ATOM 1775 C ARG A 179 -0.366 -28.448 -6.657 1.00 85.05 C ATOM 1776 O ARG A 179 -0.599 -29.616 -6.358 1.00 89.13 O ATOM 1777 CB ARG A 179 -1.771 -27.778 -8.592 1.00 80.79 C ATOM 1778 CG ARG A 179 -2.473 -26.638 -7.887 1.00 79.84 C ATOM 1779 CD ARG A 179 -3.854 -26.369 -8.509 1.00 79.71 C ATOM 1780 NE ARG A 179 -4.652 -25.473 -7.680 1.00 80.18 N ATOM 1781 CZ ARG A 179 -5.219 -25.798 -6.514 1.00 83.15 C ATOM 1782 NH1 ARG A 179 -5.173 -27.037 -6.040 1.00 85.57 N ATOM 1783 NH2 ARG A 179 -5.887 -24.866 -5.836 1.00 84.41 N ATOM 1784 HE ARG A 179 -4.791 -24.502 -8.024 1.00 0.00 H ATOM 1785 HH12 ARG A 179 -5.623 -27.263 -5.130 1.00 0.00 H ATOM 1786 HH11 ARG A 179 -4.687 -27.782 -6.579 1.00 0.00 H ATOM 1787 HH22 ARG A 179 -6.334 -25.104 -4.927 1.00 0.00 H ATOM 1788 HH21 ARG A 179 -5.962 -23.901 -6.215 1.00 0.00 H ATOM 1789 H ARG A 179 -0.235 -29.800 -9.300 1.00 0.00 H ATOM 1790 N SER A 180 -0.129 -27.497 -5.762 1.00 87.02 N ATOM 1791 CA SER A 180 -0.126 -27.756 -4.319 1.00 91.60 C ATOM 1792 C SER A 180 -0.892 -26.662 -3.608 1.00 94.53 C ATOM 1793 O SER A 180 -0.935 -25.530 -4.082 1.00 97.23 O ATOM 1794 CB SER A 180 1.300 -27.822 -3.799 1.00 89.92 C ATOM 1795 OG SER A 180 1.993 -28.898 -4.407 1.00 90.41 O ATOM 1796 HG SER A 180 2.920 -28.930 -4.060 1.00 0.00 H ATOM 1797 H SER A 180 0.062 -26.531 -6.097 1.00 0.00 H ATOM 1798 N GLU A 181 -1.529 -27.024 -2.503 1.00100.97 N ATOM 1799 CA GLU A 181 -2.294 -26.078 -1.680 1.00105.29 C ATOM 1800 C GLU A 181 -1.858 -26.283 -0.238 1.00111.06 C ATOM 1801 O GLU A 181 -1.687 -27.421 0.213 1.00112.35 O ATOM 1802 CB GLU A 181 -3.808 -26.279 -1.858 1.00107.05 C ATOM 1803 CG GLU A 181 -4.630 -25.067 -1.437 1.00109.23 C ATOM 1804 CD GLU A 181 -6.082 -25.057 -1.909 1.00111.39 C ATOM 1805 OE1 GLU A 181 -6.431 -25.891 -2.777 1.00112.30 O ATOM 1806 OE2 GLU A 181 -6.874 -24.208 -1.449 1.00113.15 O ATOM 1807 H GLU A 181 -1.485 -28.020 -2.206 1.00 0.00 H ATOM 1808 N ARG A 182 -1.635 -25.177 0.464 1.00117.01 N ATOM 1809 CA ARG A 182 -0.861 -25.204 1.720 1.00125.23 C ATOM 1810 C ARG A 182 -1.314 -24.182 2.738 1.00129.74 C ATOM 1811 O ARG A 182 -1.822 -23.118 2.392 1.00123.90 O ATOM 1812 CB ARG A 182 0.601 -24.940 1.435 1.00124.88 C ATOM 1813 CG ARG A 182 1.486 -26.133 1.581 1.00130.18 C ATOM 1814 CD ARG A 182 2.831 -25.772 0.984 1.00128.83 C ATOM 1815 NE ARG A 182 3.838 -26.768 1.334 1.00132.28 N ATOM 1816 CZ ARG A 182 4.996 -26.952 0.698 1.00130.36 C ATOM 1817 NH1 ARG A 182 5.335 -26.214 -0.364 1.00124.96 N ATOM 1818 NH2 ARG A 182 5.824 -27.902 1.129 1.00131.75 N ATOM 1819 HE ARG A 182 3.636 -27.385 2.146 1.00 0.00 H ATOM 1820 HH12 ARG A 182 6.244 -26.378 -0.842 1.00 0.00 H ATOM 1821 HH11 ARG A 182 4.690 -25.476 -0.712 1.00 0.00 H ATOM 1822 HH22 ARG A 182 6.731 -28.060 0.645 1.00 0.00 H ATOM 1823 HH21 ARG A 182 5.563 -28.486 1.949 1.00 0.00 H ATOM 1824 H ARG A 182 -2.015 -24.272 0.120 1.00 0.00 H ATOM 1825 N PHE A 183 -1.155 -24.581 3.997 1.00136.14 N ATOM 1826 CA PHE A 183 -1.429 -23.756 5.159 1.00140.62 C ATOM 1827 C PHE A 183 -0.080 -23.394 5.794 1.00144.17 C ATOM 1828 O PHE A 183 0.867 -24.206 5.769 1.00142.99 O ATOM 1829 CB PHE A 183 -2.271 -24.565 6.154 1.00143.09 C ATOM 1830 CG PHE A 183 -3.700 -24.729 5.743 1.00143.75 C ATOM 1831 CD1 PHE A 183 -4.653 -23.842 6.219 1.00146.77 C ATOM 1832 CD2 PHE A 183 -4.116 -25.788 4.940 1.00143.21 C ATOM 1833 CE1 PHE A 183 -6.002 -23.991 5.889 1.00147.69 C ATOM 1834 CE2 PHE A 183 -5.451 -25.936 4.597 1.00144.40 C ATOM 1835 CZ PHE A 183 -6.399 -25.048 5.089 1.00146.51 C ATOM 1836 H PHE A 183 -0.811 -25.549 4.159 1.00 0.00 H ATOM 1837 N TYR A 184 -0.006 -22.208 6.404 1.00148.64 N ATOM 1838 CA TYR A 184 1.081 -21.812 7.324 1.00148.60 C ATOM 1839 C TYR A 184 0.411 -21.437 8.655 1.00151.55 C ATOM 1840 O TYR A 184 -0.785 -21.119 8.662 1.00152.75 O ATOM 1841 CB TYR A 184 1.904 -20.640 6.748 1.00143.77 C ATOM 1842 CG TYR A 184 2.470 -20.925 5.362 1.00137.81 C ATOM 1843 CD1 TYR A 184 1.660 -20.817 4.235 1.00133.86 C ATOM 1844 CD2 TYR A 184 3.794 -21.342 5.180 1.00136.61 C ATOM 1845 CE1 TYR A 184 2.140 -21.103 2.967 1.00132.94 C ATOM 1846 CE2 TYR A 184 4.283 -21.636 3.914 1.00133.26 C ATOM 1847 CZ TYR A 184 3.451 -21.509 2.808 1.00133.27 C ATOM 1848 OH TYR A 184 3.902 -21.790 1.538 1.00128.59 O ATOM 1849 HH TYR A 184 3.170 -21.641 0.889 1.00 0.00 H ATOM 1850 H TYR A 184 -0.762 -21.518 6.220 1.00 0.00 H ATOM 1851 N GLU A 185 1.141 -21.492 9.778 1.00154.09 N ATOM 1852 CA GLU A 185 0.556 -21.127 11.089 1.00160.09 C ATOM 1853 C GLU A 185 -0.036 -19.708 11.112 1.00156.27 C ATOM 1854 O GLU A 185 -1.120 -19.504 11.672 1.00152.06 O ATOM 1855 CB GLU A 185 1.559 -21.277 12.256 1.00163.88 C ATOM 1856 CG GLU A 185 1.651 -22.679 12.858 1.00166.03 C ATOM 1857 CD GLU A 185 2.783 -23.522 12.303 1.00167.08 C ATOM 1858 OE1 GLU A 185 3.166 -23.312 11.129 1.00165.29 O ATOM 1859 OE2 GLU A 185 3.285 -24.406 13.043 1.00168.16 O ATOM 1860 H GLU A 185 2.134 -21.796 9.728 1.00 0.00 H ATOM 1861 N CYS A 186 0.681 -18.758 10.500 1.00154.30 N ATOM 1862 CA CYS A 186 0.278 -17.340 10.444 1.00155.35 C ATOM 1863 C CYS A 186 -1.219 -17.157 10.223 1.00158.29 C ATOM 1864 O CYS A 186 -1.933 -16.611 11.071 1.00165.01 O ATOM 1865 CB CYS A 186 1.038 -16.587 9.321 1.00149.74 C ATOM 1866 SG CYS A 186 0.643 -17.038 7.593 1.00144.94 S ATOM 1867 H CYS A 186 1.571 -19.035 10.039 1.00 0.00 H ATOM 1868 N CYS A 187 -1.671 -17.697 9.101 1.00154.80 N ATOM 1869 CA CYS A 187 -2.859 -17.235 8.415 1.00148.00 C ATOM 1870 C CYS A 187 -3.831 -18.420 8.295 1.00143.47 C ATOM 1871 O CYS A 187 -3.402 -19.550 8.036 1.00145.45 O ATOM 1872 CB CYS A 187 -2.417 -16.698 7.040 1.00146.29 C ATOM 1873 SG CYS A 187 -0.847 -15.750 7.012 1.00147.66 S ATOM 1874 H CYS A 187 -1.145 -18.495 8.691 1.00 0.00 H ATOM 1875 N LYS A 188 -5.124 -18.173 8.493 1.00137.31 N ATOM 1876 CA LYS A 188 -6.118 -19.256 8.515 1.00135.51 C ATOM 1877 C LYS A 188 -6.569 -19.755 7.120 1.00131.04 C ATOM 1878 O LYS A 188 -7.167 -20.847 7.062 1.00132.78 O ATOM 1879 CB LYS A 188 -7.338 -18.841 9.362 1.00139.09 C ATOM 1880 CG LYS A 188 -8.373 -17.967 8.665 1.00139.34 C ATOM 1881 CD LYS A 188 -9.173 -17.086 9.613 1.00144.73 C ATOM 1882 CE LYS A 188 -9.796 -15.939 8.833 1.00143.55 C ATOM 1883 NZ LYS A 188 -10.681 -15.083 9.671 1.00148.53 N ATOM 1884 HZ1 LYS A 188 -11.454 -15.661 10.059 1.00 0.00 H ATOM 1885 HZ2 LYS A 188 -10.128 -14.674 10.451 1.00 0.00 H ATOM 1886 HZ3 LYS A 188 -11.077 -14.319 9.087 1.00 0.00 H ATOM 1887 H LYS A 188 -5.438 -17.192 8.635 1.00 0.00 H ATOM 1888 N GLU A 189 -6.284 -18.993 6.054 1.00124.68 N ATOM 1889 CA GLU A 189 -6.642 -19.365 4.675 1.00119.70 C ATOM 1890 C GLU A 189 -5.508 -20.133 3.974 1.00117.55 C ATOM 1891 O GLU A 189 -4.367 -20.011 4.375 1.00114.85 O ATOM 1892 CB GLU A 189 -6.960 -18.152 3.790 1.00116.21 C ATOM 1893 CG GLU A 189 -7.846 -17.076 4.418 1.00117.43 C ATOM 1894 CD GLU A 189 -9.282 -17.513 4.642 1.00120.13 C ATOM 1895 OE1 GLU A 189 -9.822 -18.244 3.797 1.00118.01 O ATOM 1896 OE2 GLU A 189 -9.831 -17.150 5.695 1.00124.36 O ATOM 1897 H GLU A 189 -5.785 -18.094 6.209 1.00 0.00 H ATOM 1898 N PRO A 190 -5.846 -20.948 2.946 1.00117.55 N ATOM 1899 CA PRO A 190 -4.800 -21.653 2.183 1.00112.94 C ATOM 1900 C PRO A 190 -4.247 -20.892 0.963 1.00107.09 C ATOM 1901 O PRO A 190 -4.944 -20.061 0.369 1.00106.17 O ATOM 1902 CB PRO A 190 -5.502 -22.939 1.753 1.00114.39 C ATOM 1903 CG PRO A 190 -6.934 -22.543 1.625 1.00116.66 C ATOM 1904 CD PRO A 190 -7.206 -21.398 2.566 1.00119.65 C ATOM 1905 N TYR A 191 -3.002 -21.218 0.585 1.00103.81 N ATOM 1906 CA TYR A 191 -2.302 -20.594 -0.548 1.00100.04 C ATOM 1907 C TYR A 191 -1.867 -21.605 -1.624 1.00 93.74 C ATOM 1908 O TYR A 191 -1.028 -22.468 -1.339 1.00 93.14 O ATOM 1909 CB TYR A 191 -1.066 -19.827 -0.070 1.00102.96 C ATOM 1910 CG TYR A 191 -1.333 -18.403 0.367 1.00109.14 C ATOM 1911 CD1 TYR A 191 -1.468 -17.364 -0.579 1.00111.24 C ATOM 1912 CD2 TYR A 191 -1.437 -18.079 1.728 1.00112.46 C ATOM 1913 CE1 TYR A 191 -1.741 -16.061 -0.172 1.00114.34 C ATOM 1914 CE2 TYR A 191 -1.665 -16.759 2.147 1.00114.03 C ATOM 1915 CZ TYR A 191 -1.792 -15.750 1.188 1.00115.25 C ATOM 1916 OH TYR A 191 -2.041 -14.438 1.546 1.00116.08 O ATOM 1917 HH TYR A 191 -2.096 -13.879 0.730 1.00 0.00 H ATOM 1918 H TYR A 191 -2.503 -21.954 1.124 1.00 0.00 H ATOM 1919 N PRO A 192 -2.404 -21.502 -2.846 1.00 87.63 N ATOM 1920 CA PRO A 192 -2.046 -22.448 -3.899 1.00 84.32 C ATOM 1921 C PRO A 192 -0.819 -22.033 -4.709 1.00 78.66 C ATOM 1922 O PRO A 192 -0.716 -20.880 -5.102 1.00 77.25 O ATOM 1923 CB PRO A 192 -3.289 -22.444 -4.799 1.00 85.11 C ATOM 1924 CG PRO A 192 -3.851 -21.044 -4.655 1.00 85.82 C ATOM 1925 CD PRO A 192 -3.401 -20.517 -3.310 1.00 87.11 C ATOM 1926 N ASP A 193 0.091 -22.973 -4.964 1.00 75.88 N ATOM 1927 CA ASP A 193 1.211 -22.769 -5.903 1.00 71.85 C ATOM 1928 C ASP A 193 1.171 -23.799 -7.012 1.00 70.21 C ATOM 1929 O ASP A 193 0.552 -24.855 -6.861 1.00 72.04 O ATOM 1930 CB ASP A 193 2.573 -22.862 -5.206 1.00 71.98 C ATOM 1931 CG ASP A 193 2.878 -24.271 -4.669 1.00 74.76 C ATOM 1932 OD1 ASP A 193 3.126 -25.215 -5.486 1.00 74.11 O ATOM 1933 OD2 ASP A 193 2.903 -24.430 -3.429 1.00 78.14 O ATOM 1934 H ASP A 193 0.008 -23.890 -4.480 1.00 0.00 H ATOM 1935 N VAL A 194 1.874 -23.496 -8.099 1.00 66.65 N ATOM 1936 CA VAL A 194 2.046 -24.445 -9.211 1.00 64.81 C ATOM 1937 C VAL A 194 3.527 -24.565 -9.494 1.00 63.03 C ATOM 1938 O VAL A 194 4.184 -23.555 -9.766 1.00 60.82 O ATOM 1939 CB VAL A 194 1.254 -24.038 -10.482 1.00 63.34 C ATOM 1940 CG1 VAL A 194 -0.220 -24.235 -10.206 1.00 65.08 C ATOM 1941 CG2 VAL A 194 1.455 -22.588 -10.930 1.00 61.49 C ATOM 1942 H VAL A 194 2.317 -22.557 -8.166 1.00 0.00 H ATOM 1943 N THR A 195 4.058 -25.779 -9.425 1.00 64.60 N ATOM 1944 CA THR A 195 5.506 -26.001 -9.560 1.00 64.36 C ATOM 1945 C THR A 195 5.850 -26.910 -10.741 1.00 64.91 C ATOM 1946 O THR A 195 5.278 -27.989 -10.889 1.00 66.92 O ATOM 1947 CB THR A 195 6.094 -26.618 -8.271 1.00 65.92 C ATOM 1948 OG1 THR A 195 5.714 -25.836 -7.144 1.00 66.30 O ATOM 1949 CG2 THR A 195 7.600 -26.727 -8.342 1.00 64.96 C ATOM 1950 HG1 THR A 195 4.727 -25.815 -7.076 1.00 0.00 H ATOM 1951 H THR A 195 3.433 -26.596 -9.271 1.00 0.00 H ATOM 1952 N PHE A 196 6.773 -26.455 -11.583 1.00 63.69 N ATOM 1953 CA PHE A 196 7.190 -27.193 -12.793 1.00 64.02 C ATOM 1954 C PHE A 196 8.618 -27.638 -12.607 1.00 65.36 C ATOM 1955 O PHE A 196 9.483 -26.828 -12.213 1.00 65.46 O ATOM 1956 CB PHE A 196 7.117 -26.276 -14.025 1.00 61.64 C ATOM 1957 CG PHE A 196 5.742 -25.740 -14.285 1.00 61.32 C ATOM 1958 CD1 PHE A 196 4.816 -26.484 -15.003 1.00 62.65 C ATOM 1959 CD2 PHE A 196 5.336 -24.530 -13.734 1.00 60.34 C ATOM 1960 CE1 PHE A 196 3.527 -26.018 -15.198 1.00 62.64 C ATOM 1961 CE2 PHE A 196 4.044 -24.059 -13.915 1.00 60.34 C ATOM 1962 CZ PHE A 196 3.135 -24.812 -14.644 1.00 61.49 C ATOM 1963 H PHE A 196 7.221 -25.539 -11.381 1.00 0.00 H ATOM 1964 N THR A 197 8.882 -28.909 -12.866 1.00 67.66 N ATOM 1965 CA THR A 197 10.189 -29.474 -12.600 1.00 69.37 C ATOM 1966 C THR A 197 10.793 -29.936 -13.916 1.00 68.12 C ATOM 1967 O THR A 197 10.132 -30.650 -14.688 1.00 66.49 O ATOM 1968 CB THR A 197 10.077 -30.673 -11.635 1.00 74.24 C ATOM 1969 OG1 THR A 197 9.153 -30.366 -10.584 1.00 77.17 O ATOM 1970 CG2 THR A 197 11.404 -31.049 -11.048 1.00 75.84 C ATOM 1971 HG1 THR A 197 9.086 -31.139 -9.969 1.00 0.00 H ATOM 1972 H THR A 197 8.137 -29.513 -13.268 1.00 0.00 H ATOM 1973 N VAL A 198 12.053 -29.562 -14.152 1.00 68.28 N ATOM 1974 CA VAL A 198 12.795 -29.940 -15.355 1.00 68.29 C ATOM 1975 C VAL A 198 14.106 -30.613 -14.986 1.00 69.97 C ATOM 1976 O VAL A 198 14.916 -30.045 -14.253 1.00 70.30 O ATOM 1977 CB VAL A 198 13.158 -28.699 -16.207 1.00 67.02 C ATOM 1978 CG1 VAL A 198 13.856 -29.107 -17.494 1.00 66.92 C ATOM 1979 CG2 VAL A 198 11.920 -27.903 -16.560 1.00 66.31 C ATOM 1980 H VAL A 198 12.532 -28.971 -13.443 1.00 0.00 H ATOM 1981 N THR A 199 14.324 -31.811 -15.511 1.00 71.99 N ATOM 1982 CA THR A 199 15.624 -32.480 -15.418 1.00 72.98 C ATOM 1983 C THR A 199 16.320 -32.348 -16.763 1.00 72.41 C ATOM 1984 O THR A 199 15.759 -32.717 -17.794 1.00 71.19 O ATOM 1985 CB THR A 199 15.502 -33.973 -15.026 1.00 74.96 C ATOM 1986 OG1 THR A 199 14.752 -34.090 -13.811 1.00 74.93 O ATOM 1987 CG2 THR A 199 16.881 -34.614 -14.833 1.00 76.29 C ATOM 1988 HG1 THR A 199 15.216 -33.596 -13.089 1.00 0.00 H ATOM 1989 H THR A 199 13.546 -32.292 -16.006 1.00 0.00 H ATOM 1990 N PHE A 200 17.541 -31.818 -16.736 1.00 72.70 N ATOM 1991 CA PHE A 200 18.353 -31.644 -17.936 1.00 72.64 C ATOM 1992 C PHE A 200 19.807 -32.004 -17.666 1.00 74.79 C ATOM 1993 O PHE A 200 20.217 -32.175 -16.521 1.00 77.25 O ATOM 1994 CB PHE A 200 18.250 -30.199 -18.433 1.00 70.20 C ATOM 1995 CG PHE A 200 18.813 -29.184 -17.468 1.00 69.94 C ATOM 1996 CD1 PHE A 200 18.025 -28.651 -16.460 1.00 68.35 C ATOM 1997 CD2 PHE A 200 20.145 -28.763 -17.563 1.00 70.85 C ATOM 1998 CE1 PHE A 200 18.531 -27.712 -15.581 1.00 67.43 C ATOM 1999 CE2 PHE A 200 20.671 -27.841 -16.667 1.00 69.73 C ATOM 2000 CZ PHE A 200 19.858 -27.307 -15.674 1.00 68.23 C ATOM 2001 H PHE A 200 17.933 -31.515 -15.821 1.00 0.00 H ATOM 2002 N ARG A 201 20.585 -32.097 -18.734 1.00 76.13 N ATOM 2003 CA ARG A 201 22.004 -32.398 -18.643 1.00 79.05 C ATOM 2004 C ARG A 201 22.772 -31.899 -19.847 1.00 79.92 C ATOM 2005 O ARG A 201 22.188 -31.650 -20.925 1.00 79.50 O ATOM 2006 CB ARG A 201 22.219 -33.902 -18.510 1.00 81.86 C ATOM 2007 CG ARG A 201 21.710 -34.704 -19.691 1.00 83.11 C ATOM 2008 CD ARG A 201 22.206 -36.132 -19.631 1.00 87.28 C ATOM 2009 NE ARG A 201 21.721 -36.910 -20.763 1.00 88.77 N ATOM 2010 CZ ARG A 201 22.089 -38.158 -21.035 1.00 92.03 C ATOM 2011 NH1 ARG A 201 22.957 -38.809 -20.263 1.00 93.77 N ATOM 2012 NH2 ARG A 201 21.576 -38.763 -22.101 1.00 94.15 N ATOM 2013 HE ARG A 201 21.039 -36.457 -21.404 1.00 0.00 H ATOM 2014 HH12 ARG A 201 23.230 -39.785 -20.496 1.00 0.00 H ATOM 2015 HH11 ARG A 201 23.362 -38.341 -19.427 1.00 0.00 H ATOM 2016 HH22 ARG A 201 21.853 -39.739 -22.328 1.00 0.00 H ATOM 2017 HH21 ARG A 201 20.897 -38.260 -22.708 1.00 0.00 H ATOM 2018 H ARG A 201 20.164 -31.949 -19.674 1.00 0.00 H ATOM 2019 N LYS A 202 24.089 -31.822 -19.661 1.00 82.78 N ATOM 2020 CA LYS A 202 25.003 -31.366 -20.693 1.00 86.06 C ATOM 2021 C LYS A 202 25.233 -32.462 -21.731 1.00 90.10 C ATOM 2022 O LYS A 202 25.458 -33.625 -21.358 1.00 94.44 O ATOM 2023 CB LYS A 202 26.344 -30.946 -20.075 1.00 89.06 C ATOM 2024 CG LYS A 202 27.153 -30.054 -21.013 1.00 93.03 C ATOM 2025 CD LYS A 202 28.528 -29.714 -20.482 1.00 97.25 C ATOM 2026 CE LYS A 202 28.479 -29.078 -19.104 1.00 97.08 C ATOM 2027 NZ LYS A 202 29.850 -28.577 -18.744 1.00 99.51 N ATOM 2028 HZ1 LYS A 202 30.519 -29.374 -18.739 1.00 0.00 H ATOM 2029 HZ2 LYS A 202 30.155 -27.872 -19.445 1.00 0.00 H ATOM 2030 HZ3 LYS A 202 29.822 -28.140 -17.801 1.00 0.00 H ATOM 2031 H LYS A 202 24.479 -32.100 -18.738 1.00 0.00 H ATOM 2032 N LYS A 203 25.185 -32.090 -23.021 1.00 89.62 N ATOM 2033 CA LYS A 203 25.319 -33.069 -24.111 1.00 91.63 C ATOM 2034 C LYS A 203 26.733 -33.667 -24.256 1.00 95.40 C ATOM 2035 O LYS A 203 26.890 -34.814 -24.674 1.00 96.25 O ATOM 2036 CB LYS A 203 24.896 -32.449 -25.433 1.00 91.00 C ATOM 2037 CG LYS A 203 23.436 -32.071 -25.518 1.00 89.04 C ATOM 2038 CD LYS A 203 23.144 -31.359 -26.832 1.00 88.34 C ATOM 2039 CE LYS A 203 21.663 -31.064 -27.010 1.00 85.15 C ATOM 2040 NZ LYS A 203 21.383 -30.334 -28.252 1.00 83.84 N ATOM 2041 HZ1 LYS A 203 21.893 -29.427 -28.242 1.00 0.00 H ATOM 2042 HZ2 LYS A 203 21.698 -30.901 -29.065 1.00 0.00 H ATOM 2043 HZ3 LYS A 203 20.361 -30.158 -28.326 1.00 0.00 H ATOM 2044 H LYS A 203 25.050 -31.086 -23.255 1.00 0.00 H ATOM 2045 N GLY A 204 27.742 -32.861 -23.939 1.00 98.70 N ATOM 2046 CA GLY A 204 29.111 -33.329 -23.696 1.00105.45 C ATOM 2047 C GLY A 204 29.458 -33.244 -22.210 1.00109.25 C ATOM 2048 O GLY A 204 30.354 -32.516 -21.793 1.00113.31 O ATOM 2049 H GLY A 204 27.550 -31.842 -23.859 1.00 0.00 H TER 2050 GLY A 204 HETATM 2051 O HOH 1 -2.060 -4.875 -14.355 1.00 59.24 O HETATM 2052 O HOH 2 -8.150 -8.472 -15.672 1.00 35.22 O HETATM 2053 O HOH 3 15.238 -24.689 -9.314 1.00 45.95 O HETATM 2054 O HOH 4 1.430 -26.228 -22.824 1.00 33.11 O HETATM 2055 O HOH 5 -4.866 -7.394 -6.614 1.00 26.13 O HETATM 2056 O HOH 6 -0.255 2.451 -18.264 1.00 54.06 O HETATM 2057 O HOH 7 2.541 -29.280 1.549 1.00 24.33 O HETATM 2058 O HOH 8 -2.899 -29.578 1.762 1.00 35.66 O HETATM 2059 O HOH 9 11.313 -14.162 -28.017 1.00 23.64 O HETATM 2060 O HOH 10 5.056 -3.271 -24.675 1.00 29.19 O HETATM 2061 O HOH 11 2.698 -10.697 -23.527 1.00 44.20 O HETATM 2062 O HOH 12 19.649 -6.734 -21.639 1.00 52.78 O HETATM 2063 O HOH 13 21.905 -31.538 -9.806 1.00 40.65 O HETATM 2064 O HOH 14 23.050 -11.316 -20.141 1.00 23.70 O HETATM 2065 O HOH 15 25.661 -36.659 -20.482 1.00 33.45 O HETATM 2066 O HOH 16 26.967 -40.353 -14.101 1.00 50.34 O HETATM 2067 O HOH 17 -12.414 -7.979 -33.525 1.00 24.11 O HETATM 2068 O HOH 18 -10.307 -14.168 -25.030 1.00 33.16 O HETATM 2069 O HOH 19 -9.734 -24.895 0.383 1.00 30.73 O HETATM 2070 O HOH 20 -15.216 -13.652 -1.840 1.00 43.80 O HETATM 2071 O HOH 21 12.874 -27.167 -32.631 1.00 31.88 O HETATM 2072 O HOH 22 0.053 -29.183 2.588 1.00 30.65 O HETATM 2073 O HOH 23 20.441 -10.452 -20.869 1.00 26.10 O HETATM 2074 O HOH 24 9.806 -5.751 -27.431 1.00 23.91 O HETATM 2075 O HOH 25 14.656 -18.638 -28.720 1.00 15.06 O HETATM 2076 O HOH 26 -15.296 -15.881 -20.191 1.00 58.44 O HETATM 2077 O HOH 27 18.126 -31.236 -26.791 1.00 42.30 O HETATM 2078 O HOH 28 15.446 -32.494 -26.187 1.00 21.86 O HETATM 2079 O HOH 29 10.629 -25.934 -33.123 1.00 24.30 O HETATM 2080 O HOH 30 -12.424 -15.075 1.667 1.00 54.88 O HETATM 2081 O HOH 31 -2.400 -6.885 7.256 1.00 36.32 O HETATM 2082 O HOH 32 36.046 -13.863 -5.665 1.00 40.25 O HETATM 2083 O HOH 33 8.679 -7.655 10.907 1.00 54.46 O HETATM 2084 O HOH 34 3.986 0.246 -6.483 1.00 31.28 O HETATM 2085 O HOH 35 20.760 -19.010 -28.639 1.00 41.96 O HETATM 2086 O HOH 36 26.018 -22.949 -37.868 1.00 37.23 O HETATM 2087 O HOH 37 19.346 -7.211 -27.466 1.00 37.66 O HETATM 2088 O HOH 38 2.307 3.440 -30.110 1.00 29.43 O HETATM 2089 O HOH 39 25.503 -15.361 -22.676 1.00 20.59 O HETATM 2090 O HOH 40 24.178 -3.186 -26.360 1.00 44.42 O HETATM 2091 O HOH 41 -7.803 8.934 -26.198 1.00 22.52 O HETATM 2092 O HOH 42 1.174 -24.120 -33.211 1.00 16.78 O HETATM 2093 O HOH 43 11.625 -5.353 -19.176 1.00 28.14 O HETATM 2094 O HOH 44 11.287 -0.943 -31.213 1.00 41.44 O HETATM 2095 BR1 AVB A 45 9.477 -27.030 -17.858 1.00 -0.05 BR HETATM 2096 C02 AVB A 45 7.935 -28.183 -18.007 1.00 0.02 C HETATM 2097 C03 AVB A 45 7.299 -28.716 -16.875 1.00 -0.05 C HETATM 2098 C04 AVB A 45 6.182 -29.547 -17.066 1.00 -0.01 C HETATM 2099 C05 AVB A 45 5.738 -29.796 -18.364 1.00 0.14 C HETATM 2100 N06 AVB A 45 6.397 -29.274 -19.427 1.00 -0.28 N HETATM 2101 C07 AVB A 45 7.450 -28.486 -19.283 1.00 0.00 C HETATM 2102 H3 AVB A 45 7.939 -28.073 -20.158 1.00 0.08 H HETATM 2103 N08 AVB A 45 4.629 -30.679 -18.671 1.00 -0.22 N HETATM 2104 C09 AVB A 45 4.736 -32.051 -18.160 1.00 0.22 C HETATM 2105 O10 AVB A 45 5.686 -32.355 -17.498 1.00 -0.38 O HETATM 2106 C11 AVB A 45 3.722 -33.174 -18.455 1.00 0.10 C HETATM 2107 C12 AVB A 45 4.260 -33.809 -19.706 1.00 -0.02 C HETATM 2108 C13 AVB A 45 3.438 -34.936 -20.182 1.00 -0.01 C HETATM 2109 C14 AVB A 45 1.966 -34.525 -20.319 1.00 -0.03 C HETATM 2110 N15 AVB A 45 1.450 -33.847 -19.101 1.00 0.23 N HETATM 2111 C16 AVB A 45 2.284 -32.712 -18.624 1.00 -0.01 C HETATM 2112 H14 AVB A 45 2.246 -31.895 -19.359 1.00 0.08 H HETATM 2113 H15 AVB A 45 1.898 -32.354 -17.658 1.00 0.08 H HETATM 2114 H12 AVB A 45 1.395 -34.529 -18.361 1.00 0.20 H HETATM 2115 H13 AVB A 45 0.527 -33.496 -19.304 1.00 0.20 H HETATM 2116 H10 AVB A 45 1.363 -35.427 -20.503 1.00 0.08 H HETATM 2117 H11 AVB A 45 1.869 -33.838 -21.173 1.00 0.08 H HETATM 2118 H8 AVB A 45 3.514 -35.765 -19.463 1.00 0.03 H HETATM 2119 H9 AVB A 45 3.812 -35.265 -21.163 1.00 0.03 H HETATM 2120 H6 AVB A 45 5.276 -34.178 -19.502 1.00 0.03 H HETATM 2121 H7 AVB A 45 4.299 -33.046 -20.497 1.00 0.03 H HETATM 2122 H5 AVB A 45 3.740 -33.902 -17.631 1.00 0.06 H HETATM 2123 H4 AVB A 45 3.838 -30.371 -19.200 1.00 0.23 H HETATM 2124 H2 AVB A 45 5.673 -29.988 -16.217 1.00 0.06 H HETATM 2125 H1 AVB A 45 7.661 -28.492 -15.878 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1266 1265 1367 CONECT 1367 1266 1366 CONECT 1866 1865 1873 CONECT 1873 1866 1872 CONECT 2095 2096 CONECT 2096 2095 2097 2101 CONECT 2097 2096 2098 2125 CONECT 2098 2097 2099 2124 CONECT 2099 2098 2100 2103 CONECT 2100 2099 2101 CONECT 2101 2096 2100 2102 CONECT 2102 2101 CONECT 2103 2099 2104 2123 CONECT 2104 2103 2105 2106 CONECT 2105 2104 CONECT 2106 2104 2107 2111 2122 CONECT 2107 2106 2108 2120 2121 CONECT 2108 2107 2109 2118 2119 CONECT 2109 2108 2110 2116 2117 CONECT 2110 2109 2111 2114 2115 CONECT 2111 2106 2110 2112 2113 CONECT 2112 2111 CONECT 2113 2111 CONECT 2114 2110 CONECT 2115 2110 CONECT 2116 2109 CONECT 2117 2109 CONECT 2118 2108 CONECT 2119 2108 CONECT 2120 2107 CONECT 2121 2107 CONECT 2122 2106 CONECT 2123 2103 CONECT 2124 2098 CONECT 2125 2097 MASTER 0 0 0 0 0 0 0 0 2124 1 39 16 END
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Structure:
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Related entries of code: 5oui
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
205aa, >5AFJ_1|Chains... at 100%
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PDBbind
205aa, >5AFK_1|Chains... at 100%
5afl
RCSB PDB
PDBbind
205aa, >5AFL_1|Chains... at 100%
5afm
RCSB PDB
PDBbind
207aa, >5AFM_2|Chain... *
5afn
RCSB PDB
PDBbind
207aa, >5AFN_1|Chains... at 100%
5oug
RCSB PDB
PDBbind
205aa, >5OUG_1|Chains... at 96%
5ouh
RCSB PDB
PDBbind
205aa, >5OUH_1|Chains... at 96%
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
5oui
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Humanized alpha-AChBP
Ligand Name
AVB
EC.Number
E.C.-.-.-.-
Resolution
3.1(Å)
Affinity (Kd/Ki/IC50)
Kd=93.57uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Biol. Chem. Vol. : pp. -
Ligand Properties
Formula
C
1
1
H
1
5
BrN
3
O
Molecular Weight
285.160
Exact Mass
284.040
No. of atoms
31
No. of bonds
32
Polar Surface Area
58.6
LOGP Value
1.08 (
Computed with XLOGP3
)
2.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
O=C([C@@H]1CCC[NH2+]C1)Nc1ccc(cn1)Br
InChI String
InChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/p+1/t8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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