Browse entries in the PDBbind-CN Database
HEADER 5YUM_COMPLEX COMPND 5YUM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 HIS ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS SEQRES 2 A 91 PRO GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG SEQRES 3 A 91 ARG ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE SEQRES 4 A 91 GLN ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN SEQRES 5 A 91 ASP ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP SEQRES 6 A 91 LYS LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER SEQRES 7 A 91 ASP PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN SEQRES 1 B 91 HIS ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS SEQRES 2 B 91 PRO GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG SEQRES 3 B 91 ARG ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE SEQRES 4 B 91 GLN ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN SEQRES 5 B 91 ASP ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP SEQRES 6 B 91 LYS LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER SEQRES 7 B 91 ASP PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN HET CO A 1 1 HET ILE A 236 22 ATOM 1 N HIS A 8 8.910 19.909 -10.800 1.00110.73 N ATOM 2 CA HIS A 8 7.996 19.770 -11.928 1.00113.50 C ATOM 3 C HIS A 8 6.902 20.838 -11.906 1.00111.72 C ATOM 4 O HIS A 8 7.098 21.934 -11.379 1.00113.42 O ATOM 5 CB HIS A 8 7.370 18.371 -11.943 1.00109.93 C ATOM 6 CG HIS A 8 8.111 17.385 -12.793 1.00113.96 C ATOM 7 ND1 HIS A 8 7.719 17.067 -14.076 1.00117.47 N ATOM 8 CD2 HIS A 8 9.221 16.649 -12.546 1.00119.28 C ATOM 9 CE1 HIS A 8 8.553 16.177 -14.582 1.00122.20 C ATOM 10 NE2 HIS A 8 9.474 15.906 -13.674 1.00123.27 N ATOM 11 HN3 HIS A 8 8.378 19.815 -9.911 1.00 0.00 H ATOM 12 HN2 HIS A 8 9.364 20.844 -10.837 1.00 0.00 H ATOM 13 HN1 HIS A 8 9.637 19.167 -10.851 1.00 0.00 H ATOM 14 N ASP A 9 5.743 20.499 -12.474 1.00 99.31 N ATOM 15 CA ASP A 9 4.703 21.492 -12.716 1.00 81.40 C ATOM 16 C ASP A 9 3.969 21.910 -11.448 1.00 71.85 C ATOM 17 O ASP A 9 3.531 23.061 -11.348 1.00 63.96 O ATOM 18 CB ASP A 9 3.697 20.956 -13.735 1.00 71.41 C ATOM 19 CG ASP A 9 4.298 20.791 -15.114 1.00 83.30 C ATOM 20 OD1 ASP A 9 5.457 21.220 -15.318 1.00 81.97 O ATOM 21 OD2 ASP A 9 3.616 20.231 -15.998 1.00 77.56 O ATOM 22 H ASP A 9 5.579 19.510 -12.749 1.00 0.00 H ATOM 23 N ASN A 10 3.820 21.012 -10.480 1.00 62.41 N ATOM 24 CA ASN A 10 2.908 21.234 -9.369 1.00 63.73 C ATOM 25 C ASN A 10 3.650 21.385 -8.046 1.00 58.17 C ATOM 26 O ASN A 10 4.849 21.118 -7.928 1.00 56.09 O ATOM 27 CB ASN A 10 1.888 20.096 -9.278 1.00 67.07 C ATOM 28 CG ASN A 10 0.772 20.232 -10.295 1.00 73.62 C ATOM 29 OD1 ASN A 10 0.530 21.314 -10.826 1.00 83.94 O ATOM 30 ND2 ASN A 10 0.079 19.132 -10.562 1.00 67.36 N ATOM 31 HD22 ASN A 10 0.320 18.238 -10.088 1.00 0.00 H ATOM 32 HD21 ASN A 10 -0.705 19.164 -11.245 1.00 0.00 H ATOM 33 H ASN A 10 4.369 20.129 -10.518 1.00 0.00 H ATOM 34 N VAL A 11 2.893 21.817 -7.039 1.00 52.31 N ATOM 35 CA VAL A 11 3.398 22.104 -5.700 1.00 46.67 C ATOM 36 C VAL A 11 2.384 21.589 -4.685 1.00 42.63 C ATOM 37 O VAL A 11 1.172 21.676 -4.906 1.00 34.02 O ATOM 38 CB VAL A 11 3.653 23.617 -5.512 1.00 52.32 C ATOM 39 CG1 VAL A 11 3.657 24.003 -4.041 1.00 56.18 C ATOM 40 CG2 VAL A 11 4.961 24.008 -6.160 1.00 67.05 C ATOM 41 H VAL A 11 1.878 21.959 -7.218 1.00 0.00 H ATOM 42 N ILE A 12 2.877 21.040 -3.578 1.00 46.34 N ATOM 43 CA ILE A 12 2.030 20.585 -2.483 1.00 35.48 C ATOM 44 C ILE A 12 2.080 21.622 -1.369 1.00 41.87 C ATOM 45 O ILE A 12 3.155 21.927 -0.838 1.00 43.22 O ATOM 46 CB ILE A 12 2.467 19.207 -1.965 1.00 38.09 C ATOM 47 CG1 ILE A 12 2.363 18.159 -3.072 1.00 36.77 C ATOM 48 CG2 ILE A 12 1.621 18.808 -0.759 1.00 33.52 C ATOM 49 CD1 ILE A 12 0.975 17.604 -3.260 1.00 43.52 C ATOM 50 H ILE A 12 3.908 20.931 -3.491 1.00 0.00 H ATOM 51 N LEU A 13 0.920 22.168 -1.018 1.00 37.13 N ATOM 52 CA LEU A 13 0.774 23.019 0.154 1.00 35.95 C ATOM 53 C LEU A 13 0.184 22.188 1.284 1.00 36.49 C ATOM 54 O LEU A 13 -0.858 21.548 1.108 1.00 34.80 O ATOM 55 CB LEU A 13 -0.124 24.223 -0.140 1.00 33.88 C ATOM 56 CG LEU A 13 0.303 25.189 -1.248 1.00 43.16 C ATOM 57 CD1 LEU A 13 -0.633 26.394 -1.298 1.00 42.95 C ATOM 58 CD2 LEU A 13 1.751 25.630 -1.068 1.00 41.78 C ATOM 59 H LEU A 13 0.082 21.979 -1.605 1.00 0.00 H ATOM 60 N GLU A 14 0.853 22.186 2.434 1.00 34.09 N ATOM 61 CA GLU A 14 0.397 21.441 3.600 1.00 38.67 C ATOM 62 C GLU A 14 -0.032 22.422 4.680 1.00 39.08 C ATOM 63 O GLU A 14 0.779 23.224 5.154 1.00 41.79 O ATOM 64 CB GLU A 14 1.487 20.506 4.123 1.00 40.96 C ATOM 65 CG GLU A 14 0.977 19.517 5.161 1.00 62.02 C ATOM 66 CD GLU A 14 2.094 18.802 5.895 1.00 78.33 C ATOM 67 OE1 GLU A 14 2.137 18.889 7.141 1.00 84.50 O ATOM 68 OE2 GLU A 14 2.924 18.149 5.228 1.00 82.95 O ATOM 69 H GLU A 14 1.733 22.736 2.503 1.00 0.00 H ATOM 70 N LEU A 15 -1.302 22.353 5.065 1.00 33.46 N ATOM 71 CA LEU A 15 -1.873 23.220 6.084 1.00 28.32 C ATOM 72 C LEU A 15 -2.176 22.423 7.343 1.00 31.30 C ATOM 73 O LEU A 15 -2.643 21.282 7.272 1.00 33.66 O ATOM 74 CB LEU A 15 -3.168 23.885 5.602 1.00 33.86 C ATOM 75 CG LEU A 15 -3.193 25.018 4.571 1.00 37.93 C ATOM 76 CD1 LEU A 15 -2.543 24.629 3.249 1.00 36.07 C ATOM 77 CD2 LEU A 15 -4.629 25.468 4.355 1.00 37.48 C ATOM 78 H LEU A 15 -1.917 21.645 4.616 1.00 0.00 H ATOM 79 N THR A 16 -1.910 23.029 8.492 1.00 42.04 N ATOM 80 CA THR A 16 -2.463 22.579 9.762 1.00 34.03 C ATOM 81 C THR A 16 -3.541 23.576 10.163 1.00 36.38 C ATOM 82 O THR A 16 -3.265 24.775 10.294 1.00 36.37 O ATOM 83 CB THR A 16 -1.388 22.477 10.843 1.00 43.94 C ATOM 84 OG1 THR A 16 -0.282 21.714 10.348 1.00 48.64 O ATOM 85 CG2 THR A 16 -1.954 21.796 12.089 1.00 36.65 C ATOM 86 HG1 THR A 16 0.095 22.161 9.549 1.00 0.00 H ATOM 87 H THR A 16 -1.282 23.858 8.486 1.00 0.00 H ATOM 88 N VAL A 17 -4.772 23.088 10.322 1.00 30.51 N ATOM 89 CA VAL A 17 -5.909 23.944 10.617 1.00 30.70 C ATOM 90 C VAL A 17 -6.679 23.361 11.792 1.00 34.33 C ATOM 91 O VAL A 17 -6.543 22.187 12.139 1.00 32.72 O ATOM 92 CB VAL A 17 -6.854 24.123 9.405 1.00 34.08 C ATOM 93 CG1 VAL A 17 -6.068 24.445 8.129 1.00 33.85 C ATOM 94 CG2 VAL A 17 -7.715 22.883 9.216 1.00 28.04 C ATOM 95 H VAL A 17 -4.923 22.063 10.232 1.00 0.00 H ATOM 96 N ARG A 18 -7.487 24.217 12.412 1.00 43.70 N ATOM 97 CA ARG A 18 -8.472 23.768 13.384 1.00 35.24 C ATOM 98 C ARG A 18 -9.549 22.951 12.683 1.00 34.51 C ATOM 99 O ARG A 18 -9.996 23.296 11.585 1.00 31.55 O ATOM 100 CB ARG A 18 -9.099 24.972 14.085 1.00 43.55 C ATOM 101 CG ARG A 18 -8.098 25.951 14.671 1.00 55.15 C ATOM 102 CD ARG A 18 -7.576 25.526 16.035 1.00 64.78 C ATOM 103 NE ARG A 18 -6.810 26.624 16.641 1.00 78.84 N ATOM 104 CZ ARG A 18 -5.959 26.497 17.657 1.00 84.73 C ATOM 105 NH1 ARG A 18 -5.774 25.314 18.228 1.00 76.72 N ATOM 106 NH2 ARG A 18 -5.309 27.560 18.117 1.00 93.64 N ATOM 107 HE ARG A 18 -6.943 27.576 16.245 1.00 0.00 H ATOM 108 HH12 ARG A 18 -5.109 25.218 19.021 1.00 0.00 H ATOM 109 HH11 ARG A 18 -6.294 24.483 17.882 1.00 0.00 H ATOM 110 HH22 ARG A 18 -4.644 27.460 18.911 1.00 0.00 H ATOM 111 HH21 ARG A 18 -5.465 28.492 17.684 1.00 0.00 H ATOM 112 H ARG A 18 -7.413 25.232 12.197 1.00 0.00 H ATOM 113 N ASN A 19 -9.961 21.854 13.313 1.00 36.38 N ATOM 114 CA ASN A 19 -10.972 20.974 12.724 1.00 37.58 C ATOM 115 C ASN A 19 -12.364 21.522 13.053 1.00 41.70 C ATOM 116 O ASN A 19 -13.142 20.946 13.818 1.00 48.83 O ATOM 117 CB ASN A 19 -10.781 19.544 13.218 1.00 43.52 C ATOM 118 CG ASN A 19 -11.671 18.549 12.497 1.00 42.92 C ATOM 119 OD1 ASN A 19 -12.272 18.862 11.471 1.00 41.99 O ATOM 120 ND2 ASN A 19 -11.745 17.333 13.026 1.00 34.80 N ATOM 121 HD22 ASN A 19 -11.220 17.111 13.896 1.00 0.00 H ATOM 122 HD21 ASN A 19 -12.328 16.602 12.570 1.00 0.00 H ATOM 123 H ASN A 19 -9.557 21.617 14.242 1.00 0.00 H ATOM 124 N HIS A 20 -12.661 22.679 12.455 1.00 33.72 N ATOM 125 CA HIS A 20 -13.903 23.409 12.645 1.00 35.52 C ATOM 126 C HIS A 20 -14.700 23.457 11.347 1.00 48.50 C ATOM 127 O HIS A 20 -14.120 23.425 10.257 1.00 31.09 O ATOM 128 CB HIS A 20 -13.648 24.849 13.113 1.00 37.31 C ATOM 129 CG HIS A 20 -13.075 24.956 14.490 1.00 48.03 C ATOM 130 ND1 HIS A 20 -12.834 26.169 15.100 1.00 42.80 N ATOM 131 CD2 HIS A 20 -12.685 24.006 15.371 1.00 41.53 C ATOM 132 CE1 HIS A 20 -12.326 25.960 16.301 1.00 49.16 C ATOM 133 NE2 HIS A 20 -12.224 24.656 16.489 1.00 50.23 N ATOM 134 H HIS A 20 -11.955 23.085 11.809 1.00 0.00 H ATOM 135 N PRO A 21 -16.026 23.545 11.428 1.00 35.60 N ATOM 136 CA PRO A 21 -16.823 23.728 10.211 1.00 41.86 C ATOM 137 C PRO A 21 -16.409 24.987 9.462 1.00 46.96 C ATOM 138 O PRO A 21 -16.158 26.036 10.061 1.00 40.40 O ATOM 139 CB PRO A 21 -18.257 23.837 10.741 1.00 38.10 C ATOM 140 CG PRO A 21 -18.231 23.078 12.021 1.00 40.13 C ATOM 141 CD PRO A 21 -16.873 23.341 12.615 1.00 39.18 C ATOM 142 N GLY A 22 -16.307 24.863 8.139 1.00 32.44 N ATOM 143 CA GLY A 22 -16.151 26.010 7.273 1.00 31.41 C ATOM 144 C GLY A 22 -14.731 26.414 6.938 1.00 37.22 C ATOM 145 O GLY A 22 -14.548 27.339 6.137 1.00 37.60 O ATOM 146 H GLY A 22 -16.341 23.913 7.717 1.00 0.00 H ATOM 147 N VAL A 23 -13.715 25.767 7.516 1.00 31.55 N ATOM 148 CA VAL A 23 -12.346 26.183 7.227 1.00 40.38 C ATOM 149 C VAL A 23 -11.946 25.767 5.815 1.00 34.20 C ATOM 150 O VAL A 23 -11.225 26.495 5.124 1.00 44.23 O ATOM 151 CB VAL A 23 -11.372 25.641 8.293 1.00 46.08 C ATOM 152 CG1 VAL A 23 -11.615 24.190 8.542 1.00 51.50 C ATOM 153 CG2 VAL A 23 -9.926 25.849 7.864 1.00 36.80 C ATOM 154 H VAL A 23 -13.898 24.975 8.165 1.00 0.00 H ATOM 155 N MET A 24 -12.427 24.613 5.348 1.00 34.14 N ATOM 156 CA MET A 24 -12.105 24.199 3.984 1.00 28.03 C ATOM 157 C MET A 24 -12.742 25.125 2.956 1.00 34.81 C ATOM 158 O MET A 24 -12.163 25.371 1.891 1.00 34.93 O ATOM 159 CB MET A 24 -12.550 22.762 3.731 1.00 27.99 C ATOM 160 CG MET A 24 -12.145 22.227 2.353 1.00 29.69 C ATOM 161 SD MET A 24 -10.423 21.687 2.228 1.00 37.15 S ATOM 162 CE MET A 24 -9.539 23.200 1.886 1.00 49.88 C ATOM 163 H MET A 24 -13.026 24.013 5.950 1.00 0.00 H ATOM 164 N THR A 25 -13.938 25.637 3.249 1.00 29.69 N ATOM 165 CA THR A 25 -14.572 26.592 2.347 1.00 39.79 C ATOM 166 C THR A 25 -13.744 27.865 2.238 1.00 40.35 C ATOM 167 O THR A 25 -13.518 28.380 1.136 1.00 37.27 O ATOM 168 CB THR A 25 -15.987 26.912 2.831 1.00 40.82 C ATOM 169 OG1 THR A 25 -16.750 25.702 2.905 1.00 51.07 O ATOM 170 CG2 THR A 25 -16.672 27.871 1.876 1.00 46.09 C ATOM 171 HG1 THR A 25 -16.316 25.078 3.540 1.00 0.00 H ATOM 172 H THR A 25 -14.421 25.354 4.125 1.00 0.00 H ATOM 173 N HIS A 26 -13.275 28.381 3.378 1.00 35.35 N ATOM 174 CA HIS A 26 -12.484 29.608 3.370 1.00 40.95 C ATOM 175 C HIS A 26 -11.159 29.409 2.645 1.00 37.84 C ATOM 176 O HIS A 26 -10.738 30.270 1.861 1.00 39.89 O ATOM 177 CB HIS A 26 -12.240 30.090 4.800 1.00 42.96 C ATOM 178 CG HIS A 26 -13.463 30.629 5.474 1.00 59.22 C ATOM 179 ND1 HIS A 26 -13.488 30.974 6.809 1.00 62.94 N ATOM 180 CD2 HIS A 26 -14.705 30.880 4.998 1.00 60.81 C ATOM 181 CE1 HIS A 26 -14.692 31.416 7.125 1.00 60.98 C ATOM 182 NE2 HIS A 26 -15.450 31.368 6.044 1.00 63.65 N ATOM 183 H HIS A 26 -13.476 27.904 4.280 1.00 0.00 H ATOM 184 N VAL A 27 -10.491 28.279 2.891 1.00 26.19 N ATOM 185 CA VAL A 27 -9.209 28.010 2.242 1.00 31.26 C ATOM 186 C VAL A 27 -9.387 27.941 0.729 1.00 35.83 C ATOM 187 O VAL A 27 -8.656 28.586 -0.031 1.00 40.46 O ATOM 188 CB VAL A 27 -8.587 26.716 2.796 1.00 30.77 C ATOM 189 CG1 VAL A 27 -7.442 26.245 1.907 1.00 23.51 C ATOM 190 CG2 VAL A 27 -8.109 26.925 4.230 1.00 31.85 C ATOM 191 H VAL A 27 -10.888 27.582 3.553 1.00 0.00 H ATOM 192 N CYS A 28 -10.373 27.167 0.273 1.00 34.31 N ATOM 193 CA CYS A 28 -10.583 26.998 -1.160 1.00 36.40 C ATOM 194 C CYS A 28 -11.148 28.259 -1.799 1.00 45.02 C ATOM 195 O CYS A 28 -10.918 28.503 -2.991 1.00 36.63 O ATOM 196 CB CYS A 28 -11.514 25.811 -1.420 1.00 30.04 C ATOM 197 SG CYS A 28 -10.739 24.194 -1.204 1.00 43.99 S ATOM 198 H CYS A 28 -10.998 26.679 0.946 1.00 0.00 H ATOM 199 N GLY A 29 -11.889 29.064 -1.029 1.00 40.09 N ATOM 200 CA GLY A 29 -12.449 30.285 -1.578 1.00 30.78 C ATOM 201 C GLY A 29 -11.391 31.276 -2.018 1.00 32.40 C ATOM 202 O GLY A 29 -11.605 32.038 -2.965 1.00 37.52 O ATOM 203 H GLY A 29 -12.064 28.814 -0.035 1.00 0.00 H ATOM 204 N LEU A 30 -10.240 31.283 -1.343 1.00 31.73 N ATOM 205 CA LEU A 30 -9.139 32.144 -1.761 1.00 41.34 C ATOM 206 C LEU A 30 -8.672 31.785 -3.166 1.00 35.26 C ATOM 207 O LEU A 30 -8.415 32.671 -3.988 1.00 41.57 O ATOM 208 CB LEU A 30 -7.986 32.037 -0.764 1.00 33.26 C ATOM 209 CG LEU A 30 -8.281 32.525 0.655 1.00 50.79 C ATOM 210 CD1 LEU A 30 -7.163 32.117 1.601 1.00 45.27 C ATOM 211 CD2 LEU A 30 -8.483 34.034 0.673 1.00 48.78 C ATOM 212 H LEU A 30 -10.127 30.669 -0.511 1.00 0.00 H ATOM 213 N PHE A 31 -8.549 30.488 -3.455 1.00 32.05 N ATOM 214 CA PHE A 31 -8.201 30.051 -4.803 1.00 33.35 C ATOM 215 C PHE A 31 -9.341 30.331 -5.772 1.00 36.60 C ATOM 216 O PHE A 31 -9.122 30.841 -6.877 1.00 36.34 O ATOM 217 CB PHE A 31 -7.855 28.559 -4.799 1.00 29.79 C ATOM 218 CG PHE A 31 -6.570 28.238 -4.088 1.00 33.21 C ATOM 219 CD1 PHE A 31 -6.569 27.950 -2.732 1.00 29.31 C ATOM 220 CD2 PHE A 31 -5.363 28.228 -4.771 1.00 41.24 C ATOM 221 CE1 PHE A 31 -5.389 27.660 -2.070 1.00 29.51 C ATOM 222 CE2 PHE A 31 -4.179 27.940 -4.113 1.00 44.58 C ATOM 223 CZ PHE A 31 -4.192 27.657 -2.760 1.00 28.98 C ATOM 224 H PHE A 31 -8.703 29.779 -2.710 1.00 0.00 H ATOM 225 N ALA A 32 -10.570 30.011 -5.359 1.00 36.01 N ATOM 226 CA ALA A 32 -11.727 30.178 -6.232 1.00 39.76 C ATOM 227 C ALA A 32 -11.902 31.629 -6.659 1.00 38.23 C ATOM 228 O ALA A 32 -12.229 31.908 -7.816 1.00 41.32 O ATOM 229 CB ALA A 32 -12.985 29.676 -5.524 1.00 33.66 C ATOM 230 H ALA A 32 -10.705 29.636 -4.398 1.00 0.00 H ATOM 231 N ARG A 33 -11.675 32.569 -5.742 1.00 38.86 N ATOM 232 CA ARG A 33 -11.897 33.978 -6.041 1.00 44.55 C ATOM 233 C ARG A 33 -10.966 34.491 -7.134 1.00 51.25 C ATOM 234 O ARG A 33 -11.220 35.563 -7.695 1.00 49.21 O ATOM 235 CB ARG A 33 -11.747 34.800 -4.756 1.00 43.19 C ATOM 236 CG ARG A 33 -10.384 35.433 -4.560 1.00 59.71 C ATOM 237 CD ARG A 33 -10.255 36.058 -3.171 1.00 65.27 C ATOM 238 NE ARG A 33 -11.277 37.060 -2.882 1.00 66.93 N ATOM 239 CZ ARG A 33 -11.136 38.360 -3.126 1.00 77.54 C ATOM 240 NH1 ARG A 33 -10.011 38.814 -3.661 1.00 82.87 N ATOM 241 NH2 ARG A 33 -12.113 39.208 -2.826 1.00 75.31 N ATOM 242 HE ARG A 33 -12.171 36.737 -2.459 1.00 0.00 H ATOM 243 HH12 ARG A 33 -9.899 39.830 -3.852 1.00 0.00 H ATOM 244 HH11 ARG A 33 -9.240 38.154 -3.889 1.00 0.00 H ATOM 245 HH22 ARG A 33 -11.998 40.223 -3.019 1.00 0.00 H ATOM 246 HH21 ARG A 33 -12.993 38.857 -2.398 1.00 0.00 H ATOM 247 H ARG A 33 -11.334 32.293 -4.799 1.00 0.00 H ATOM 248 N ARG A 34 -9.914 33.740 -7.465 1.00 56.01 N ATOM 249 CA ARG A 34 -8.980 34.103 -8.524 1.00 57.90 C ATOM 250 C ARG A 34 -9.062 33.173 -9.729 1.00 46.54 C ATOM 251 O ARG A 34 -8.197 33.247 -10.608 1.00 48.76 O ATOM 252 CB ARG A 34 -7.546 34.114 -7.985 1.00 52.99 C ATOM 253 CG ARG A 34 -7.335 34.980 -6.753 1.00 49.27 C ATOM 254 CD ARG A 34 -6.765 36.341 -7.116 1.00 64.86 C ATOM 255 NE ARG A 34 -5.322 36.409 -6.889 1.00 83.84 N ATOM 256 CZ ARG A 34 -4.437 36.806 -7.799 1.00 94.30 C ATOM 257 NH1 ARG A 34 -4.841 37.180 -9.006 1.00 92.86 N ATOM 258 NH2 ARG A 34 -3.145 36.835 -7.499 1.00 99.23 N ATOM 259 HE ARG A 34 -4.964 36.128 -5.954 1.00 0.00 H ATOM 260 HH12 ARG A 34 -4.145 37.490 -9.714 1.00 0.00 H ATOM 261 HH11 ARG A 34 -5.853 37.164 -9.244 1.00 0.00 H ATOM 262 HH22 ARG A 34 -2.453 37.145 -8.210 1.00 0.00 H ATOM 263 HH21 ARG A 34 -2.824 36.547 -6.552 1.00 0.00 H ATOM 264 H ARG A 34 -9.753 32.855 -6.943 1.00 0.00 H ATOM 265 N ALA A 35 -10.074 32.302 -9.792 1.00 44.70 N ATOM 266 CA ALA A 35 -10.166 31.263 -10.824 1.00 44.78 C ATOM 267 C ALA A 35 -8.917 30.384 -10.834 1.00 43.04 C ATOM 268 O ALA A 35 -8.489 29.888 -11.880 1.00 44.69 O ATOM 269 CB ALA A 35 -10.420 31.865 -12.210 1.00 49.42 C ATOM 270 H ALA A 35 -10.829 32.363 -9.079 1.00 0.00 H ATOM 271 N PHE A 36 -8.325 30.199 -9.658 1.00 40.22 N ATOM 272 CA PHE A 36 -7.151 29.357 -9.481 1.00 38.74 C ATOM 273 C PHE A 36 -7.634 27.944 -9.175 1.00 42.53 C ATOM 274 O PHE A 36 -8.319 27.723 -8.169 1.00 36.09 O ATOM 275 CB PHE A 36 -6.283 29.915 -8.351 1.00 39.97 C ATOM 276 CG PHE A 36 -4.873 29.369 -8.300 1.00 57.97 C ATOM 277 CD1 PHE A 36 -4.601 28.025 -8.506 1.00 63.90 C ATOM 278 CD2 PHE A 36 -3.813 30.224 -8.037 1.00 63.22 C ATOM 279 CE1 PHE A 36 -3.300 27.544 -8.447 1.00 48.76 C ATOM 280 CE2 PHE A 36 -2.514 29.752 -7.980 1.00 61.64 C ATOM 281 CZ PHE A 36 -2.257 28.412 -8.185 1.00 52.01 C ATOM 282 H PHE A 36 -8.720 30.679 -8.824 1.00 0.00 H ATOM 283 N ASN A 37 -7.287 26.995 -10.040 1.00 38.73 N ATOM 284 CA ASN A 37 -7.766 25.631 -9.873 1.00 41.40 C ATOM 285 C ASN A 37 -6.941 24.883 -8.833 1.00 31.96 C ATOM 286 O ASN A 37 -5.748 25.134 -8.653 1.00 36.79 O ATOM 287 CB ASN A 37 -7.726 24.875 -11.201 1.00 36.65 C ATOM 288 CG ASN A 37 -8.641 23.660 -11.206 1.00 52.73 C ATOM 289 OD1 ASN A 37 -9.834 23.766 -10.913 1.00 36.55 O ATOM 290 ND2 ASN A 37 -8.080 22.494 -11.524 1.00 35.90 N ATOM 291 HD22 ASN A 37 -7.069 22.452 -11.765 1.00 0.00 H ATOM 292 HD21 ASN A 37 -8.653 21.626 -11.532 1.00 0.00 H ATOM 293 H ASN A 37 -6.668 27.230 -10.842 1.00 0.00 H ATOM 294 N VAL A 38 -7.600 23.961 -8.138 1.00 35.60 N ATOM 295 CA VAL A 38 -6.946 23.033 -7.223 1.00 38.83 C ATOM 296 C VAL A 38 -7.055 21.640 -7.826 1.00 38.52 C ATOM 297 O VAL A 38 -8.155 21.192 -8.170 1.00 37.96 O ATOM 298 CB VAL A 38 -7.567 23.084 -5.816 1.00 36.41 C ATOM 299 CG1 VAL A 38 -6.840 22.127 -4.884 1.00 35.48 C ATOM 300 CG2 VAL A 38 -7.525 24.508 -5.266 1.00 25.73 C ATOM 301 H VAL A 38 -8.632 23.899 -8.252 1.00 0.00 H ATOM 302 N GLU A 39 -5.917 20.963 -7.963 1.00 39.62 N ATOM 303 CA GLU A 39 -5.865 19.703 -8.697 1.00 38.31 C ATOM 304 C GLU A 39 -6.144 18.492 -7.816 1.00 39.12 C ATOM 305 O GLU A 39 -6.845 17.569 -8.242 1.00 41.52 O ATOM 306 CB GLU A 39 -4.501 19.551 -9.374 1.00 42.60 C ATOM 307 CG GLU A 39 -4.276 20.519 -10.523 1.00 55.59 C ATOM 308 CD GLU A 39 -5.409 20.500 -11.536 1.00 65.58 C ATOM 309 OE1 GLU A 39 -5.906 19.398 -11.866 1.00 52.54 O ATOM 310 OE2 GLU A 39 -5.805 21.591 -12.001 1.00 67.00 O ATOM 311 H GLU A 39 -5.046 21.340 -7.538 1.00 0.00 H ATOM 312 N GLY A 40 -5.612 18.471 -6.604 1.00 40.38 N ATOM 313 CA GLY A 40 -5.831 17.353 -5.703 1.00 32.62 C ATOM 314 C GLY A 40 -5.919 17.835 -4.277 1.00 31.47 C ATOM 315 O GLY A 40 -5.276 18.817 -3.891 1.00 33.84 O ATOM 316 H GLY A 40 -5.026 19.271 -6.291 1.00 0.00 H ATOM 317 N ILE A 41 -6.730 17.141 -3.484 1.00 31.20 N ATOM 318 CA ILE A 41 -6.943 17.499 -2.087 1.00 27.32 C ATOM 319 C ILE A 41 -6.961 16.234 -1.243 1.00 40.04 C ATOM 320 O ILE A 41 -7.641 15.261 -1.586 1.00 33.89 O ATOM 321 CB ILE A 41 -8.249 18.293 -1.870 1.00 31.76 C ATOM 322 CG1 ILE A 41 -8.267 19.572 -2.711 1.00 30.25 C ATOM 323 CG2 ILE A 41 -8.434 18.631 -0.402 1.00 21.20 C ATOM 324 CD1 ILE A 41 -9.474 20.439 -2.451 1.00 30.44 C ATOM 325 H ILE A 41 -7.229 16.316 -3.873 1.00 0.00 H ATOM 326 N LEU A 42 -6.211 16.251 -0.142 1.00 30.03 N ATOM 327 CA LEU A 42 -6.328 15.258 0.914 1.00 24.81 C ATOM 328 C LEU A 42 -6.494 15.990 2.235 1.00 33.99 C ATOM 329 O LEU A 42 -5.707 16.888 2.551 1.00 38.92 O ATOM 330 CB LEU A 42 -5.106 14.338 0.976 1.00 26.51 C ATOM 331 CG LEU A 42 -5.112 13.384 2.176 1.00 38.11 C ATOM 332 CD1 LEU A 42 -6.343 12.479 2.133 1.00 26.23 C ATOM 333 CD2 LEU A 42 -3.821 12.565 2.258 1.00 33.42 C ATOM 334 H LEU A 42 -5.509 17.010 -0.033 1.00 0.00 H ATOM 335 N CYS A 43 -7.514 15.617 3.002 1.00 22.40 N ATOM 336 CA CYS A 43 -7.768 16.208 4.310 1.00 22.46 C ATOM 337 C CYS A 43 -7.972 15.089 5.324 1.00 24.08 C ATOM 338 O CYS A 43 -8.846 14.238 5.136 1.00 24.80 O ATOM 339 CB CYS A 43 -8.989 17.134 4.264 1.00 28.71 C ATOM 340 SG CYS A 43 -8.816 18.548 3.132 1.00 24.42 S ATOM 341 H CYS A 43 -8.155 14.875 2.655 1.00 0.00 H ATOM 342 N LEU A 44 -7.181 15.103 6.390 1.00 25.18 N ATOM 343 CA LEU A 44 -7.238 14.108 7.448 1.00 27.35 C ATOM 344 C LEU A 44 -7.212 14.785 8.808 1.00 33.18 C ATOM 345 O LEU A 44 -6.427 15.717 9.029 1.00 36.37 O ATOM 346 CB LEU A 44 -6.062 13.125 7.355 1.00 29.84 C ATOM 347 CG LEU A 44 -5.979 12.227 6.125 1.00 38.47 C ATOM 348 CD1 LEU A 44 -4.758 11.326 6.210 1.00 36.94 C ATOM 349 CD2 LEU A 44 -7.248 11.397 6.016 1.00 38.29 C ATOM 350 H LEU A 44 -6.482 15.868 6.473 1.00 0.00 H ATOM 351 N PRO A 45 -8.050 14.346 9.741 1.00 31.47 N ATOM 352 CA PRO A 45 -7.910 14.807 11.123 1.00 39.73 C ATOM 353 C PRO A 45 -6.622 14.276 11.727 1.00 38.19 C ATOM 354 O PRO A 45 -6.106 13.229 11.328 1.00 40.56 O ATOM 355 CB PRO A 45 -9.140 14.216 11.818 1.00 34.02 C ATOM 356 CG PRO A 45 -9.410 12.968 11.041 1.00 41.65 C ATOM 357 CD PRO A 45 -9.122 13.345 9.604 1.00 31.10 C ATOM 358 N ILE A 46 -6.089 15.023 12.687 1.00 49.33 N ATOM 359 CA ILE A 46 -4.895 14.617 13.416 1.00 40.72 C ATOM 360 C ILE A 46 -5.338 13.908 14.687 1.00 42.09 C ATOM 361 O ILE A 46 -6.205 14.406 15.415 1.00 55.12 O ATOM 362 CB ILE A 46 -3.988 15.821 13.718 1.00 48.51 C ATOM 363 CG1 ILE A 46 -3.293 16.278 12.430 1.00 42.78 C ATOM 364 CG2 ILE A 46 -2.955 15.470 14.784 1.00 43.06 C ATOM 365 CD1 ILE A 46 -2.855 17.724 12.443 1.00 43.33 C ATOM 366 H ILE A 46 -6.540 15.929 12.927 1.00 0.00 H ATOM 367 N GLN A 47 -4.761 12.733 14.934 1.00 50.04 N ATOM 368 CA GLN A 47 -5.204 11.874 16.027 1.00 54.72 C ATOM 369 C GLN A 47 -5.095 12.580 17.371 1.00 57.10 C ATOM 370 O GLN A 47 -4.134 13.310 17.629 1.00 59.38 O ATOM 371 CB GLN A 47 -4.372 10.591 16.058 1.00 60.47 C ATOM 372 CG GLN A 47 -5.165 9.321 15.829 1.00 73.18 C ATOM 373 CD GLN A 47 -4.477 8.102 16.414 1.00 82.11 C ATOM 374 OE1 GLN A 47 -3.342 7.783 16.056 1.00 86.71 O ATOM 375 NE2 GLN A 47 -5.162 7.415 17.320 1.00 82.50 N ATOM 376 HE22 GLN A 47 -6.118 7.722 17.592 1.00 0.00 H ATOM 377 HE21 GLN A 47 -4.743 6.570 17.758 1.00 0.00 H ATOM 378 H GLN A 47 -3.973 12.419 14.331 1.00 0.00 H ATOM 379 N ASP A 48 -6.090 12.339 18.228 1.00 63.85 N ATOM 380 CA ASP A 48 -6.124 12.845 19.601 1.00 74.88 C ATOM 381 C ASP A 48 -5.758 14.327 19.641 1.00 64.20 C ATOM 382 O ASP A 48 -4.789 14.750 20.274 1.00 58.98 O ATOM 383 CB ASP A 48 -5.205 12.018 20.501 1.00 90.05 C ATOM 384 CG ASP A 48 -5.667 10.581 20.637 1.00103.30 C ATOM 385 OD1 ASP A 48 -6.884 10.361 20.815 1.00107.22 O ATOM 386 OD2 ASP A 48 -4.815 9.672 20.556 1.00109.74 O ATOM 387 H ASP A 48 -6.888 11.758 17.901 1.00 0.00 H ATOM 388 N SER A 49 -6.562 15.113 18.933 1.00 52.77 N ATOM 389 CA SER A 49 -6.225 16.495 18.630 1.00 50.83 C ATOM 390 C SER A 49 -7.479 17.207 18.151 1.00 53.32 C ATOM 391 O SER A 49 -8.486 16.576 17.814 1.00 54.85 O ATOM 392 CB SER A 49 -5.117 16.573 17.570 1.00 48.10 C ATOM 393 OG SER A 49 -5.190 17.768 16.812 1.00 51.60 O ATOM 394 HG SER A 49 -4.461 17.778 16.143 1.00 0.00 H ATOM 395 H SER A 49 -7.462 14.727 18.584 1.00 0.00 H ATOM 396 N ASP A 50 -7.404 18.533 18.133 1.00 47.71 N ATOM 397 CA ASP A 50 -8.470 19.362 17.598 1.00 48.22 C ATOM 398 C ASP A 50 -8.118 19.948 16.235 1.00 45.86 C ATOM 399 O ASP A 50 -8.810 20.858 15.766 1.00 40.13 O ATOM 400 CB ASP A 50 -8.816 20.475 18.594 1.00 52.75 C ATOM 401 CG ASP A 50 -7.825 21.624 18.564 1.00 56.70 C ATOM 402 OD1 ASP A 50 -6.615 21.373 18.386 1.00 51.58 O ATOM 403 OD2 ASP A 50 -8.258 22.781 18.738 1.00 64.31 O ATOM 404 H ASP A 50 -6.553 18.993 18.515 1.00 0.00 H ATOM 405 N LYS A 51 -7.067 19.442 15.588 1.00 41.60 N ATOM 406 CA LYS A 51 -6.609 19.947 14.304 1.00 36.83 C ATOM 407 C LYS A 51 -6.816 18.912 13.210 1.00 34.24 C ATOM 408 O LYS A 51 -7.156 17.753 13.458 1.00 40.27 O ATOM 409 CB LYS A 51 -5.121 20.309 14.324 1.00 45.85 C ATOM 410 CG LYS A 51 -4.650 21.126 15.481 1.00 46.92 C ATOM 411 CD LYS A 51 -4.702 22.594 15.172 1.00 64.09 C ATOM 412 CE LYS A 51 -3.865 23.314 16.193 1.00 72.70 C ATOM 413 NZ LYS A 51 -4.245 22.866 17.556 1.00 75.09 N ATOM 414 HZ1 LYS A 51 -5.250 23.077 17.722 1.00 0.00 H ATOM 415 HZ2 LYS A 51 -4.087 21.842 17.640 1.00 0.00 H ATOM 416 HZ3 LYS A 51 -3.664 23.366 18.259 1.00 0.00 H ATOM 417 H LYS A 51 -6.552 18.650 16.022 1.00 0.00 H ATOM 418 N SER A 52 -6.556 19.355 11.984 1.00 34.27 N ATOM 419 CA SER A 52 -6.531 18.492 10.816 1.00 33.29 C ATOM 420 C SER A 52 -5.412 18.950 9.893 1.00 36.26 C ATOM 421 O SER A 52 -4.938 20.088 9.973 1.00 29.32 O ATOM 422 CB SER A 52 -7.868 18.506 10.063 1.00 27.76 C ATOM 423 OG SER A 52 -8.951 18.240 10.936 1.00 31.93 O ATOM 424 HG SER A 52 -9.798 18.255 10.424 1.00 0.00 H ATOM 425 H SER A 52 -6.361 20.368 11.855 1.00 0.00 H ATOM 426 N HIS A 53 -4.991 18.046 9.015 1.00 27.68 N ATOM 427 CA HIS A 53 -4.027 18.363 7.973 1.00 31.16 C ATOM 428 C HIS A 53 -4.735 18.482 6.631 1.00 36.02 C ATOM 429 O HIS A 53 -5.592 17.659 6.295 1.00 31.60 O ATOM 430 CB HIS A 53 -2.933 17.298 7.890 1.00 28.50 C ATOM 431 CG HIS A 53 -1.783 17.536 8.817 1.00 40.28 C ATOM 432 ND1 HIS A 53 -1.233 16.537 9.591 1.00 45.18 N ATOM 433 CD2 HIS A 53 -1.080 18.659 9.095 1.00 39.73 C ATOM 434 CE1 HIS A 53 -0.238 17.034 10.305 1.00 46.17 C ATOM 435 NE2 HIS A 53 -0.127 18.320 10.025 1.00 49.96 N ATOM 436 H HIS A 53 -5.364 17.077 9.075 1.00 0.00 H ATOM 437 N ILE A 54 -4.375 19.512 5.871 1.00 34.53 N ATOM 438 CA ILE A 54 -4.888 19.723 4.522 1.00 22.60 C ATOM 439 C ILE A 54 -3.701 19.745 3.570 1.00 29.85 C ATOM 440 O ILE A 54 -2.802 20.584 3.707 1.00 32.98 O ATOM 441 CB ILE A 54 -5.701 21.022 4.406 1.00 29.39 C ATOM 442 CG1 ILE A 54 -6.856 21.028 5.405 1.00 29.35 C ATOM 443 CG2 ILE A 54 -6.236 21.189 2.986 1.00 30.66 C ATOM 444 CD1 ILE A 54 -7.711 22.286 5.353 1.00 23.06 C ATOM 445 H ILE A 54 -3.696 20.199 6.256 1.00 0.00 H ATOM 446 N TRP A 55 -3.694 18.824 2.613 1.00 28.22 N ATOM 447 CA TRP A 55 -2.719 18.825 1.532 1.00 23.92 C ATOM 448 C TRP A 55 -3.408 19.288 0.258 1.00 29.81 C ATOM 449 O TRP A 55 -4.446 18.738 -0.128 1.00 26.28 O ATOM 450 CB TRP A 55 -2.109 17.440 1.324 1.00 25.18 C ATOM 451 CG TRP A 55 -1.305 16.913 2.480 1.00 33.62 C ATOM 452 CD1 TRP A 55 0.041 17.039 2.664 1.00 35.58 C ATOM 453 CD2 TRP A 55 -1.790 16.138 3.585 1.00 26.95 C ATOM 454 NE1 TRP A 55 0.421 16.407 3.825 1.00 39.70 N ATOM 455 CE2 TRP A 55 -0.683 15.845 4.407 1.00 33.34 C ATOM 456 CE3 TRP A 55 -3.054 15.671 3.963 1.00 29.22 C ATOM 457 CZ2 TRP A 55 -0.798 15.106 5.586 1.00 30.58 C ATOM 458 CZ3 TRP A 55 -3.168 14.937 5.134 1.00 31.53 C ATOM 459 CH2 TRP A 55 -2.043 14.657 5.929 1.00 32.74 C ATOM 460 HE1 TRP A 55 1.390 16.363 4.200 1.00 0.00 H ATOM 461 H TRP A 55 -4.413 18.073 2.637 1.00 0.00 H ATOM 462 N LEU A 56 -2.839 20.299 -0.386 1.00 32.65 N ATOM 463 CA LEU A 56 -3.385 20.847 -1.618 1.00 35.90 C ATOM 464 C LEU A 56 -2.356 20.717 -2.729 1.00 30.20 C ATOM 465 O LEU A 56 -1.224 21.193 -2.594 1.00 33.24 O ATOM 466 CB LEU A 56 -3.793 22.313 -1.445 1.00 23.67 C ATOM 467 CG LEU A 56 -4.859 22.629 -0.396 1.00 32.74 C ATOM 468 CD1 LEU A 56 -5.083 24.134 -0.302 1.00 31.20 C ATOM 469 CD2 LEU A 56 -6.159 21.909 -0.705 1.00 35.93 C ATOM 470 H LEU A 56 -1.970 20.715 0.005 1.00 0.00 H ATOM 471 N LEU A 57 -2.753 20.070 -3.820 1.00 31.85 N ATOM 472 CA LEU A 57 -1.933 19.959 -5.019 1.00 36.70 C ATOM 473 C LEU A 57 -2.346 21.063 -5.984 1.00 38.13 C ATOM 474 O LEU A 57 -3.482 21.077 -6.469 1.00 34.58 O ATOM 475 CB LEU A 57 -2.093 18.581 -5.663 1.00 29.24 C ATOM 476 CG LEU A 57 -1.326 18.314 -6.960 1.00 40.42 C ATOM 477 CD1 LEU A 57 0.169 18.309 -6.709 1.00 41.97 C ATOM 478 CD2 LEU A 57 -1.761 16.996 -7.576 1.00 39.54 C ATOM 479 H LEU A 57 -3.692 19.623 -3.818 1.00 0.00 H ATOM 480 N VAL A 58 -1.429 21.995 -6.248 1.00 38.77 N ATOM 481 CA VAL A 58 -1.697 23.151 -7.095 1.00 32.69 C ATOM 482 C VAL A 58 -0.531 23.343 -8.055 1.00 42.34 C ATOM 483 O VAL A 58 0.577 22.849 -7.833 1.00 42.71 O ATOM 484 CB VAL A 58 -1.923 24.445 -6.277 1.00 42.18 C ATOM 485 CG1 VAL A 58 -3.124 24.304 -5.342 1.00 29.01 C ATOM 486 CG2 VAL A 58 -0.667 24.803 -5.498 1.00 36.36 C ATOM 487 H VAL A 58 -0.482 21.893 -5.831 1.00 0.00 H ATOM 488 N ASN A 59 -0.795 24.074 -9.135 1.00 39.52 N ATOM 489 CA ASN A 59 0.256 24.385 -10.092 1.00 47.70 C ATOM 490 C ASN A 59 1.237 25.382 -9.488 1.00 56.31 C ATOM 491 O ASN A 59 0.841 26.329 -8.802 1.00 58.24 O ATOM 492 CB ASN A 59 -0.347 24.944 -11.381 1.00 59.33 C ATOM 493 CG ASN A 59 0.698 25.552 -12.298 1.00 73.75 C ATOM 494 OD1 ASN A 59 0.847 26.773 -12.367 1.00 77.82 O ATOM 495 ND2 ASN A 59 1.435 24.699 -13.002 1.00 76.12 N ATOM 496 HD22 ASN A 59 1.274 23.675 -12.912 1.00 0.00 H ATOM 497 HD21 ASN A 59 2.173 25.055 -13.643 1.00 0.00 H ATOM 498 H ASN A 59 -1.760 24.426 -9.296 1.00 0.00 H ATOM 499 N ASP A 60 2.526 25.152 -9.728 1.00 56.67 N ATOM 500 CA ASP A 60 3.549 26.088 -9.281 1.00 68.03 C ATOM 501 C ASP A 60 3.341 27.432 -9.965 1.00 76.39 C ATOM 502 O ASP A 60 3.338 27.517 -11.195 1.00 80.34 O ATOM 503 CB ASP A 60 4.940 25.538 -9.583 1.00 75.87 C ATOM 504 CG ASP A 60 6.000 26.100 -8.658 1.00 88.37 C ATOM 505 OD1 ASP A 60 5.678 27.020 -7.874 1.00 87.95 O ATOM 506 OD2 ASP A 60 7.150 25.616 -8.704 1.00 93.39 O ATOM 507 H ASP A 60 2.807 24.292 -10.242 1.00 0.00 H ATOM 508 N ASP A 61 3.161 28.484 -9.169 1.00 79.35 N ATOM 509 CA ASP A 61 2.643 29.733 -9.703 1.00 79.96 C ATOM 510 C ASP A 61 3.301 30.924 -9.018 1.00 81.02 C ATOM 511 O ASP A 61 3.637 30.864 -7.832 1.00 73.01 O ATOM 512 CB ASP A 61 1.121 29.798 -9.526 1.00 76.79 C ATOM 513 CG ASP A 61 0.482 30.905 -10.338 1.00 88.34 C ATOM 514 OD1 ASP A 61 0.967 32.055 -10.284 1.00 95.81 O ATOM 515 OD2 ASP A 61 -0.512 30.621 -11.038 1.00 91.09 O ATOM 516 H ASP A 61 3.393 28.412 -8.158 1.00 0.00 H ATOM 517 N GLN A 62 3.464 32.008 -9.783 1.00 81.55 N ATOM 518 CA GLN A 62 3.919 33.270 -9.206 1.00 81.14 C ATOM 519 C GLN A 62 2.942 33.781 -8.152 1.00 80.00 C ATOM 520 O GLN A 62 3.359 34.304 -7.111 1.00 85.08 O ATOM 521 CB GLN A 62 4.123 34.307 -10.316 1.00 86.06 C ATOM 522 CG GLN A 62 2.826 34.792 -10.961 1.00 93.34 C ATOM 523 CD GLN A 62 2.913 36.204 -11.509 1.00109.01 C ATOM 524 OE1 GLN A 62 3.974 36.657 -11.940 1.00115.91 O ATOM 525 NE2 GLN A 62 1.789 36.913 -11.484 1.00104.81 N ATOM 526 HE22 GLN A 62 0.915 36.490 -11.111 1.00 0.00 H ATOM 527 HE21 GLN A 62 1.783 37.891 -11.838 1.00 0.00 H ATOM 528 H GLN A 62 3.264 31.952 -10.802 1.00 0.00 H ATOM 529 N ARG A 63 1.636 33.618 -8.392 1.00 74.68 N ATOM 530 CA ARG A 63 0.625 34.085 -7.453 1.00 79.53 C ATOM 531 C ARG A 63 0.602 33.271 -6.167 1.00 79.14 C ATOM 532 O ARG A 63 0.014 33.723 -5.180 1.00 82.52 O ATOM 533 CB ARG A 63 -0.763 34.042 -8.099 1.00 85.08 C ATOM 534 CG ARG A 63 -0.853 34.652 -9.494 1.00 98.11 C ATOM 535 CD ARG A 63 -1.639 33.747 -10.437 1.00101.10 C ATOM 536 NE ARG A 63 -3.033 33.602 -10.023 1.00102.82 N ATOM 537 CZ ARG A 63 -3.842 32.633 -10.440 1.00104.17 C ATOM 538 NH1 ARG A 63 -5.094 32.582 -10.007 1.00103.84 N ATOM 539 NH2 ARG A 63 -3.399 31.710 -11.284 1.00103.97 N ATOM 540 HE ARG A 63 -3.418 34.303 -9.358 1.00 0.00 H ATOM 541 HH12 ARG A 63 -5.727 31.824 -10.333 1.00 0.00 H ATOM 542 HH11 ARG A 63 -5.444 33.300 -9.341 1.00 0.00 H ATOM 543 HH22 ARG A 63 -4.035 30.954 -11.608 1.00 0.00 H ATOM 544 HH21 ARG A 63 -2.416 31.743 -11.622 1.00 0.00 H ATOM 545 H ARG A 63 1.336 33.147 -9.269 1.00 0.00 H ATOM 546 N LEU A 64 1.237 32.097 -6.158 1.00 69.08 N ATOM 547 CA LEU A 64 1.127 31.186 -5.023 1.00 65.48 C ATOM 548 C LEU A 64 1.722 31.792 -3.757 1.00 61.87 C ATOM 549 O LEU A 64 1.194 31.583 -2.658 1.00 58.56 O ATOM 550 CB LEU A 64 1.810 29.861 -5.365 1.00 63.46 C ATOM 551 CG LEU A 64 1.373 28.610 -4.611 1.00 61.09 C ATOM 552 CD1 LEU A 64 -0.126 28.432 -4.759 1.00 48.86 C ATOM 553 CD2 LEU A 64 2.111 27.388 -5.139 1.00 66.56 C ATOM 554 H LEU A 64 1.821 31.826 -6.975 1.00 0.00 H ATOM 555 N GLU A 65 2.815 32.548 -3.890 1.00 67.49 N ATOM 556 CA GLU A 65 3.461 33.137 -2.720 1.00 65.72 C ATOM 557 C GLU A 65 2.545 34.136 -2.026 1.00 65.71 C ATOM 558 O GLU A 65 2.505 34.200 -0.791 1.00 69.82 O ATOM 559 CB GLU A 65 4.774 33.800 -3.132 1.00 72.71 C ATOM 560 CG GLU A 65 5.563 34.399 -1.983 1.00 81.81 C ATOM 561 CD GLU A 65 6.545 35.458 -2.447 1.00101.09 C ATOM 562 OE1 GLU A 65 6.105 36.585 -2.761 1.00107.83 O ATOM 563 OE2 GLU A 65 7.757 35.162 -2.501 1.00105.26 O ATOM 564 H GLU A 65 3.210 32.719 -4.837 1.00 0.00 H ATOM 565 N GLN A 66 1.801 34.927 -2.803 1.00 68.23 N ATOM 566 CA GLN A 66 0.830 35.845 -2.216 1.00 73.49 C ATOM 567 C GLN A 66 -0.315 35.087 -1.554 1.00 68.01 C ATOM 568 O GLN A 66 -0.794 35.479 -0.485 1.00 69.13 O ATOM 569 CB GLN A 66 0.290 36.795 -3.288 1.00 79.25 C ATOM 570 CG GLN A 66 -0.859 37.678 -2.815 1.00 88.14 C ATOM 571 CD GLN A 66 -2.095 37.561 -3.691 1.00100.81 C ATOM 572 OE1 GLN A 66 -2.665 36.478 -3.843 1.00106.12 O ATOM 573 NE2 GLN A 66 -2.521 38.680 -4.265 1.00 97.67 N ATOM 574 HE22 GLN A 66 -2.009 39.572 -4.109 1.00 0.00 H ATOM 575 HE21 GLN A 66 -3.367 38.665 -4.870 1.00 0.00 H ATOM 576 H GLN A 66 1.914 34.889 -3.836 1.00 0.00 H ATOM 577 N MET A 67 -0.764 33.994 -2.177 1.00 57.38 N ATOM 578 CA MET A 67 -1.913 33.264 -1.653 1.00 60.56 C ATOM 579 C MET A 67 -1.565 32.473 -0.398 1.00 59.66 C ATOM 580 O MET A 67 -2.419 32.313 0.481 1.00 55.49 O ATOM 581 CB MET A 67 -2.484 32.344 -2.730 1.00 67.86 C ATOM 582 CG MET A 67 -2.799 33.066 -4.026 1.00 73.66 C ATOM 583 SD MET A 67 -4.023 32.188 -4.998 1.00 74.50 S ATOM 584 CE MET A 67 -5.249 31.878 -3.729 1.00 63.91 C ATOM 585 H MET A 67 -0.291 33.661 -3.041 1.00 0.00 H ATOM 586 N ILE A 68 -0.333 31.969 -0.295 1.00 62.74 N ATOM 587 CA ILE A 68 0.118 31.380 0.964 1.00 61.68 C ATOM 588 C ILE A 68 -0.006 32.402 2.087 1.00 58.86 C ATOM 589 O ILE A 68 -0.402 32.073 3.212 1.00 61.19 O ATOM 590 CB ILE A 68 1.562 30.858 0.824 1.00 60.27 C ATOM 591 CG1 ILE A 68 1.606 29.629 -0.084 1.00 48.68 C ATOM 592 CG2 ILE A 68 2.153 30.532 2.186 1.00 56.77 C ATOM 593 CD1 ILE A 68 2.999 29.292 -0.580 1.00 47.63 C ATOM 594 H ILE A 68 0.308 31.996 -1.114 1.00 0.00 H ATOM 595 N SER A 69 0.308 33.665 1.788 1.00 53.25 N ATOM 596 CA SER A 69 0.180 34.722 2.784 1.00 62.41 C ATOM 597 C SER A 69 -1.273 34.920 3.199 1.00 55.35 C ATOM 598 O SER A 69 -1.569 35.072 4.389 1.00 54.65 O ATOM 599 CB SER A 69 0.768 36.024 2.240 1.00 71.71 C ATOM 600 OG SER A 69 2.183 36.005 2.301 1.00 83.95 O ATOM 601 HG SER A 69 2.539 36.857 1.944 1.00 0.00 H ATOM 602 H SER A 69 0.648 33.897 0.833 1.00 0.00 H ATOM 603 N GLN A 70 -2.197 34.923 2.232 1.00 55.07 N ATOM 604 CA GLN A 70 -3.614 35.036 2.570 1.00 57.53 C ATOM 605 C GLN A 70 -4.073 33.847 3.401 1.00 52.19 C ATOM 606 O GLN A 70 -4.792 34.012 4.393 1.00 53.73 O ATOM 607 CB GLN A 70 -4.466 35.138 1.305 1.00 68.05 C ATOM 608 CG GLN A 70 -4.114 36.267 0.361 1.00 79.46 C ATOM 609 CD GLN A 70 -4.974 36.236 -0.888 1.00 91.01 C ATOM 610 OE1 GLN A 70 -6.200 36.325 -0.811 1.00 89.82 O ATOM 611 NE2 GLN A 70 -4.338 36.086 -2.044 1.00 98.12 N ATOM 612 HE22 GLN A 70 -3.301 36.015 -2.061 1.00 0.00 H ATOM 613 HE21 GLN A 70 -4.877 36.039 -2.932 1.00 0.00 H ATOM 614 H GLN A 70 -1.906 34.845 1.237 1.00 0.00 H ATOM 615 N ILE A 71 -3.679 32.638 2.996 1.00 43.75 N ATOM 616 CA ILE A 71 -4.038 31.437 3.743 1.00 43.88 C ATOM 617 C ILE A 71 -3.532 31.533 5.175 1.00 50.96 C ATOM 618 O ILE A 71 -4.223 31.142 6.123 1.00 46.51 O ATOM 619 CB ILE A 71 -3.481 30.190 3.030 1.00 39.87 C ATOM 620 CG1 ILE A 71 -4.172 29.980 1.680 1.00 42.62 C ATOM 621 CG2 ILE A 71 -3.652 28.962 3.896 1.00 36.22 C ATOM 622 CD1 ILE A 71 -3.490 28.944 0.809 1.00 37.81 C ATOM 623 H ILE A 71 -3.106 32.550 2.133 1.00 0.00 H ATOM 624 N ASP A 72 -2.325 32.077 5.354 1.00 55.86 N ATOM 625 CA ASP A 72 -1.726 32.143 6.683 1.00 65.53 C ATOM 626 C ASP A 72 -2.532 33.044 7.612 1.00 64.49 C ATOM 627 O ASP A 72 -2.680 32.746 8.803 1.00 67.73 O ATOM 628 CB ASP A 72 -0.280 32.629 6.577 1.00 74.44 C ATOM 629 CG ASP A 72 0.573 32.198 7.755 1.00 88.87 C ATOM 630 OD1 ASP A 72 1.791 31.995 7.563 1.00 98.92 O ATOM 631 OD2 ASP A 72 0.035 32.063 8.874 1.00 95.41 O ATOM 632 H ASP A 72 -1.806 32.458 4.537 1.00 0.00 H ATOM 633 N LYS A 73 -3.069 34.142 7.087 1.00 54.32 N ATOM 634 CA LYS A 73 -3.864 35.071 7.880 1.00 53.99 C ATOM 635 C LYS A 73 -5.282 34.580 8.134 1.00 45.69 C ATOM 636 O LYS A 73 -6.035 35.257 8.842 1.00 60.18 O ATOM 637 CB LYS A 73 -3.910 36.439 7.190 1.00 55.70 C ATOM 638 H LYS A 73 -2.917 34.344 6.078 1.00 0.00 H ATOM 639 N LEU A 74 -5.662 33.429 7.586 1.00 41.62 N ATOM 640 CA LEU A 74 -7.034 32.960 7.695 1.00 50.12 C ATOM 641 C LEU A 74 -7.387 32.623 9.140 1.00 73.30 C ATOM 642 O LEU A 74 -6.522 32.453 10.005 1.00 79.07 O ATOM 643 CB LEU A 74 -7.254 31.724 6.823 1.00 44.42 C ATOM 644 CG LEU A 74 -7.958 31.916 5.482 1.00 50.51 C ATOM 645 CD1 LEU A 74 -8.095 30.576 4.779 1.00 31.16 C ATOM 646 CD2 LEU A 74 -9.317 32.575 5.681 1.00 48.25 C ATOM 647 H LEU A 74 -4.965 32.854 7.070 1.00 0.00 H ATOM 648 N GLU A 75 -8.688 32.526 9.393 1.00 86.50 N ATOM 649 CA GLU A 75 -9.172 32.038 10.673 1.00 90.02 C ATOM 650 C GLU A 75 -9.100 30.517 10.685 1.00 76.38 C ATOM 651 O GLU A 75 -9.469 29.864 9.704 1.00 79.83 O ATOM 652 CB GLU A 75 -10.604 32.512 10.922 1.00 95.00 C ATOM 653 H GLU A 75 -9.372 32.805 8.661 1.00 0.00 H ATOM 654 N ASP A 76 -8.600 29.964 11.788 1.00 63.73 N ATOM 655 CA ASP A 76 -8.453 28.541 12.090 1.00 62.05 C ATOM 656 C ASP A 76 -7.251 27.904 11.397 1.00 47.72 C ATOM 657 O ASP A 76 -7.083 26.691 11.507 1.00 45.19 O ATOM 658 CB ASP A 76 -9.701 27.713 11.742 1.00 60.33 C ATOM 659 CG ASP A 76 -10.952 28.233 12.416 1.00 63.85 C ATOM 660 OD1 ASP A 76 -11.180 27.898 13.599 1.00 53.43 O ATOM 661 OD2 ASP A 76 -11.717 28.973 11.757 1.00 63.12 O ATOM 662 H ASP A 76 -8.275 30.624 12.523 1.00 0.00 H ATOM 663 N VAL A 77 -6.415 28.665 10.698 1.00 36.36 N ATOM 664 CA VAL A 77 -5.211 28.134 10.064 1.00 34.99 C ATOM 665 C VAL A 77 -4.021 28.455 10.959 1.00 42.59 C ATOM 666 O VAL A 77 -3.771 29.623 11.278 1.00 50.30 O ATOM 667 CB VAL A 77 -5.017 28.709 8.652 1.00 43.28 C ATOM 668 CG1 VAL A 77 -3.649 28.334 8.113 1.00 42.50 C ATOM 669 CG2 VAL A 77 -6.116 28.207 7.719 1.00 37.41 C ATOM 670 H VAL A 77 -6.626 29.678 10.599 1.00 0.00 H ATOM 671 N VAL A 78 -3.277 27.427 11.365 1.00 38.41 N ATOM 672 CA VAL A 78 -2.201 27.628 12.330 1.00 47.00 C ATOM 673 C VAL A 78 -0.848 27.565 11.630 1.00 48.73 C ATOM 674 O VAL A 78 0.121 28.190 12.076 1.00 57.52 O ATOM 675 CB VAL A 78 -2.290 26.612 13.488 1.00 57.68 C ATOM 676 CG1 VAL A 78 -3.738 26.459 13.940 1.00 61.01 C ATOM 677 CG2 VAL A 78 -1.685 25.272 13.111 1.00 62.16 C ATOM 678 H VAL A 78 -3.464 26.475 10.992 1.00 0.00 H ATOM 679 N LYS A 79 -0.772 26.833 10.521 1.00 45.86 N ATOM 680 CA LYS A 79 0.482 26.706 9.794 1.00 49.11 C ATOM 681 C LYS A 79 0.184 26.330 8.349 1.00 47.34 C ATOM 682 O LYS A 79 -0.709 25.521 8.084 1.00 36.90 O ATOM 683 CB LYS A 79 1.400 25.658 10.436 1.00 46.83 C ATOM 684 H LYS A 79 -1.620 26.345 10.169 1.00 0.00 H ATOM 685 N VAL A 80 0.932 26.927 7.424 1.00 42.85 N ATOM 686 CA VAL A 80 0.834 26.604 6.005 1.00 46.84 C ATOM 687 C VAL A 80 2.250 26.434 5.471 1.00 48.68 C ATOM 688 O VAL A 80 3.093 27.322 5.638 1.00 42.21 O ATOM 689 CB VAL A 80 0.063 27.675 5.208 1.00 42.85 C ATOM 690 CG1 VAL A 80 0.632 29.068 5.449 1.00 48.59 C ATOM 691 CG2 VAL A 80 0.074 27.339 3.727 1.00 45.39 C ATOM 692 H VAL A 80 1.613 27.653 7.725 1.00 0.00 H ATOM 693 N GLN A 81 2.521 25.286 4.855 1.00 58.03 N ATOM 694 CA GLN A 81 3.855 24.951 4.380 1.00 62.37 C ATOM 695 C GLN A 81 3.839 24.667 2.888 1.00 57.73 C ATOM 696 O GLN A 81 2.897 24.063 2.366 1.00 54.15 O ATOM 697 CB GLN A 81 4.426 23.739 5.116 1.00 64.31 C ATOM 698 CG GLN A 81 4.675 23.957 6.592 1.00 73.11 C ATOM 699 CD GLN A 81 5.390 22.783 7.225 1.00 80.45 C ATOM 700 OE1 GLN A 81 6.474 22.931 7.788 1.00 91.34 O ATOM 701 NE2 GLN A 81 4.788 21.603 7.127 1.00 78.82 N ATOM 702 HE22 GLN A 81 3.871 21.526 6.642 1.00 0.00 H ATOM 703 HE21 GLN A 81 5.233 20.757 7.536 1.00 0.00 H ATOM 704 H GLN A 81 1.751 24.603 4.708 1.00 0.00 H ATOM 705 N ARG A 82 4.901 25.094 2.215 1.00 63.11 N ATOM 706 CA ARG A 82 5.107 24.831 0.801 1.00 57.63 C ATOM 707 C ARG A 82 6.211 23.795 0.638 1.00 54.80 C ATOM 708 O ARG A 82 7.323 23.982 1.145 1.00 63.38 O ATOM 709 CB ARG A 82 5.476 26.119 0.063 1.00 69.27 C ATOM 710 CG ARG A 82 5.774 25.949 -1.419 1.00 73.34 C ATOM 711 CD ARG A 82 6.302 27.253 -1.998 1.00 79.01 C ATOM 712 NE ARG A 82 7.029 27.064 -3.251 1.00 91.83 N ATOM 713 CZ ARG A 82 6.531 27.345 -4.451 1.00100.40 C ATOM 714 NH1 ARG A 82 5.303 27.832 -4.560 1.00100.04 N ATOM 715 NH2 ARG A 82 7.261 27.146 -5.540 1.00105.05 N ATOM 716 HE ARG A 82 7.997 26.686 -3.201 1.00 0.00 H ATOM 717 HH12 ARG A 82 4.912 28.052 -5.498 1.00 0.00 H ATOM 718 HH11 ARG A 82 4.730 27.994 -3.707 1.00 0.00 H ATOM 719 HH22 ARG A 82 6.868 27.367 -6.477 1.00 0.00 H ATOM 720 HH21 ARG A 82 8.227 26.769 -5.457 1.00 0.00 H ATOM 721 H ARG A 82 5.621 25.644 2.725 1.00 0.00 H ATOM 722 N ASN A 83 5.888 22.693 -0.041 1.00 52.68 N ATOM 723 CA ASN A 83 6.886 21.742 -0.536 1.00 64.89 C ATOM 724 C ASN A 83 7.681 21.082 0.590 1.00 60.51 C ATOM 725 O ASN A 83 8.878 20.818 0.453 1.00 62.16 O ATOM 726 CB ASN A 83 7.834 22.416 -1.532 1.00 81.88 C ATOM 727 CG ASN A 83 7.341 22.318 -2.960 1.00 89.18 C ATOM 728 OD1 ASN A 83 6.170 22.024 -3.207 1.00 98.25 O ATOM 729 ND2 ASN A 83 8.235 22.556 -3.912 1.00 82.90 N ATOM 730 HD22 ASN A 83 9.213 22.801 -3.657 1.00 0.00 H ATOM 731 HD21 ASN A 83 7.957 22.497 -4.913 1.00 0.00 H ATOM 732 H ASN A 83 4.883 22.501 -0.227 1.00 0.00 H ATOM 733 N GLN A 84 7.019 20.802 1.711 1.00 66.74 N ATOM 734 CA GLN A 84 7.630 20.017 2.776 1.00 79.88 C ATOM 735 C GLN A 84 6.914 18.686 2.982 1.00 74.69 C ATOM 736 O GLN A 84 7.025 18.081 4.053 1.00 82.90 O ATOM 737 CB GLN A 84 7.680 20.819 4.078 1.00 87.58 C ATOM 738 CG GLN A 84 8.801 21.853 4.099 1.00 97.08 C ATOM 739 CD GLN A 84 8.935 22.560 5.434 1.00107.42 C ATOM 740 OE1 GLN A 84 8.621 23.744 5.557 1.00108.12 O ATOM 741 NE2 GLN A 84 9.421 21.840 6.439 1.00112.55 N ATOM 742 HE22 GLN A 84 9.673 20.842 6.290 1.00 0.00 H ATOM 743 HE21 GLN A 84 9.549 22.274 7.375 1.00 0.00 H ATOM 744 H GLN A 84 6.046 21.151 1.829 1.00 0.00 H ATOM 745 N SER A 85 6.192 18.216 1.965 1.00 61.41 N ATOM 746 CA SER A 85 5.463 16.957 2.041 1.00 62.01 C ATOM 747 C SER A 85 5.959 15.976 0.985 1.00 66.89 C ATOM 748 O SER A 85 7.110 16.054 0.543 1.00 65.67 O ATOM 749 CB SER A 85 3.961 17.200 1.872 1.00 58.29 C ATOM 750 OG SER A 85 3.566 18.409 2.499 1.00 57.16 O ATOM 751 HG SER A 85 3.773 18.361 3.466 1.00 0.00 H ATOM 752 H SER A 85 6.147 18.768 1.085 1.00 0.00 H ATOM 753 N ASP A 86 5.090 15.053 0.572 1.00 72.97 N ATOM 754 CA ASP A 86 5.449 14.027 -0.399 1.00 72.29 C ATOM 755 C ASP A 86 5.080 14.513 -1.793 1.00 62.86 C ATOM 756 O ASP A 86 3.881 14.606 -2.107 1.00 68.30 O ATOM 757 CB ASP A 86 4.732 12.724 -0.072 1.00 70.97 C ATOM 758 CG ASP A 86 5.119 11.587 -0.994 1.00 73.57 C ATOM 759 OD1 ASP A 86 6.022 11.761 -1.841 1.00 79.50 O ATOM 760 OD2 ASP A 86 4.513 10.504 -0.858 1.00 72.23 O ATOM 761 H ASP A 86 4.123 15.066 0.956 1.00 0.00 H ATOM 762 N PRO A 87 6.047 14.824 -2.660 1.00 60.12 N ATOM 763 CA PRO A 87 5.709 15.433 -3.959 1.00 59.32 C ATOM 764 C PRO A 87 4.812 14.574 -4.837 1.00 62.08 C ATOM 765 O PRO A 87 4.034 15.121 -5.628 1.00 49.70 O ATOM 766 CB PRO A 87 7.079 15.660 -4.618 1.00 59.48 C ATOM 767 CG PRO A 87 8.072 14.906 -3.786 1.00 70.59 C ATOM 768 CD PRO A 87 7.499 14.789 -2.415 1.00 69.41 C ATOM 769 N THR A 88 4.894 13.247 -4.729 1.00 69.52 N ATOM 770 CA THR A 88 4.089 12.348 -5.547 1.00 57.73 C ATOM 771 C THR A 88 2.942 11.716 -4.765 1.00 53.87 C ATOM 772 O THR A 88 2.403 10.690 -5.190 1.00 52.58 O ATOM 773 CB THR A 88 4.969 11.252 -6.149 1.00 57.81 C ATOM 774 OG1 THR A 88 5.904 10.797 -5.163 1.00 54.24 O ATOM 775 CG2 THR A 88 5.731 11.776 -7.357 1.00 54.21 C ATOM 776 HG1 THR A 88 6.474 10.087 -5.553 1.00 0.00 H ATOM 777 H THR A 88 5.555 12.840 -4.037 1.00 0.00 H ATOM 778 N MET A 89 2.549 12.316 -3.638 1.00 46.32 N ATOM 779 CA MET A 89 1.604 11.661 -2.739 1.00 46.37 C ATOM 780 C MET A 89 0.267 11.377 -3.414 1.00 45.60 C ATOM 781 O MET A 89 -0.368 10.359 -3.116 1.00 50.58 O ATOM 782 CB MET A 89 1.406 12.508 -1.478 1.00 36.32 C ATOM 783 CG MET A 89 0.682 13.823 -1.699 1.00 34.12 C ATOM 784 SD MET A 89 0.475 14.735 -0.158 1.00 34.45 S ATOM 785 CE MET A 89 -1.083 14.077 0.424 1.00 35.74 C ATOM 786 H MET A 89 2.920 13.258 -3.399 1.00 0.00 H ATOM 787 N PHE A 90 -0.170 12.240 -4.331 1.00 38.61 N ATOM 788 CA PHE A 90 -1.456 12.013 -4.977 1.00 35.09 C ATOM 789 C PHE A 90 -1.359 10.981 -6.091 1.00 47.77 C ATOM 790 O PHE A 90 -2.346 10.296 -6.378 1.00 46.67 O ATOM 791 CB PHE A 90 -2.023 13.331 -5.504 1.00 33.15 C ATOM 792 CG PHE A 90 -2.530 14.240 -4.417 1.00 31.32 C ATOM 793 CD1 PHE A 90 -3.743 13.985 -3.795 1.00 32.04 C ATOM 794 CD2 PHE A 90 -1.788 15.334 -4.001 1.00 32.12 C ATOM 795 CE1 PHE A 90 -4.213 14.810 -2.787 1.00 26.28 C ATOM 796 CE2 PHE A 90 -2.256 16.168 -2.995 1.00 35.83 C ATOM 797 CZ PHE A 90 -3.470 15.904 -2.388 1.00 25.73 C ATOM 798 H PHE A 90 0.403 13.070 -4.584 1.00 0.00 H ATOM 799 N ASN A 91 -0.190 10.851 -6.723 1.00 41.26 N ATOM 800 CA ASN A 91 0.017 9.748 -7.653 1.00 46.77 C ATOM 801 C ASN A 91 -0.089 8.411 -6.933 1.00 46.48 C ATOM 802 O ASN A 91 -0.639 7.443 -7.474 1.00 51.30 O ATOM 803 CB ASN A 91 1.382 9.875 -8.334 1.00 52.11 C ATOM 804 CG ASN A 91 1.545 11.186 -9.077 1.00 56.54 C ATOM 805 OD1 ASN A 91 1.868 12.212 -8.478 1.00 70.01 O ATOM 806 ND2 ASN A 91 1.334 11.157 -10.388 1.00 56.66 N ATOM 807 HD22 ASN A 91 1.062 10.266 -10.851 1.00 0.00 H ATOM 808 HD21 ASN A 91 1.440 12.025 -10.951 1.00 0.00 H ATOM 809 H ASN A 91 0.573 11.537 -6.552 1.00 0.00 H ATOM 810 N LYS A 92 0.428 8.343 -5.706 1.00 45.73 N ATOM 811 CA LYS A 92 0.433 7.087 -4.965 1.00 55.52 C ATOM 812 C LYS A 92 -0.969 6.721 -4.496 1.00 51.60 C ATOM 813 O LYS A 92 -1.384 5.561 -4.597 1.00 49.23 O ATOM 814 CB LYS A 92 1.401 7.189 -3.786 1.00 54.74 C ATOM 815 CG LYS A 92 2.843 7.413 -4.213 1.00 56.81 C ATOM 816 CD LYS A 92 3.804 7.315 -3.043 1.00 65.30 C ATOM 817 CE LYS A 92 4.856 8.407 -3.132 1.00 68.63 C ATOM 818 NZ LYS A 92 5.978 8.190 -2.179 1.00 78.19 N ATOM 819 HZ1 LYS A 92 5.608 8.177 -1.207 1.00 0.00 H ATOM 820 HZ2 LYS A 92 6.438 7.281 -2.388 1.00 0.00 H ATOM 821 HZ3 LYS A 92 6.669 8.961 -2.278 1.00 0.00 H ATOM 822 H LYS A 92 0.833 9.197 -5.272 1.00 0.00 H ATOM 823 N ILE A 93 -1.714 7.701 -3.980 1.00 45.50 N ATOM 824 CA ILE A 93 -3.112 7.462 -3.637 1.00 46.13 C ATOM 825 C ILE A 93 -3.892 7.033 -4.874 1.00 48.33 C ATOM 826 O ILE A 93 -4.771 6.165 -4.807 1.00 47.33 O ATOM 827 CB ILE A 93 -3.725 8.718 -2.989 1.00 39.11 C ATOM 828 CG1 ILE A 93 -2.944 9.117 -1.735 1.00 38.07 C ATOM 829 CG2 ILE A 93 -5.191 8.492 -2.663 1.00 35.56 C ATOM 830 CD1 ILE A 93 -3.414 10.421 -1.113 1.00 33.84 C ATOM 831 H ILE A 93 -1.296 8.640 -3.822 1.00 0.00 H ATOM 832 N ALA A 94 -3.558 7.612 -6.030 1.00 44.58 N ATOM 833 CA ALA A 94 -4.304 7.343 -7.253 1.00 47.74 C ATOM 834 C ALA A 94 -4.201 5.889 -7.699 1.00 53.44 C ATOM 835 O ALA A 94 -5.043 5.436 -8.482 1.00 54.76 O ATOM 836 CB ALA A 94 -3.824 8.269 -8.372 1.00 44.53 C ATOM 837 H ALA A 94 -2.751 8.267 -6.058 1.00 0.00 H ATOM 838 N VAL A 95 -3.200 5.143 -7.224 1.00 53.88 N ATOM 839 CA VAL A 95 -3.110 3.739 -7.604 1.00 56.41 C ATOM 840 C VAL A 95 -4.236 2.926 -6.980 1.00 56.46 C ATOM 841 O VAL A 95 -4.576 1.851 -7.487 1.00 60.66 O ATOM 842 CB VAL A 95 -1.742 3.137 -7.219 1.00 72.24 C ATOM 843 CG1 VAL A 95 -0.611 4.084 -7.590 1.00 57.89 C ATOM 844 CG2 VAL A 95 -1.700 2.763 -5.743 1.00 79.43 C ATOM 845 H VAL A 95 -2.491 5.561 -6.588 1.00 0.00 H ATOM 846 N PHE A 96 -4.841 3.419 -5.896 1.00 59.58 N ATOM 847 CA PHE A 96 -5.899 2.702 -5.199 1.00 63.24 C ATOM 848 C PHE A 96 -7.274 3.329 -5.358 1.00 57.18 C ATOM 849 O PHE A 96 -8.275 2.635 -5.161 1.00 70.39 O ATOM 850 CB PHE A 96 -5.577 2.603 -3.701 1.00 58.94 C ATOM 851 CG PHE A 96 -4.331 1.825 -3.400 1.00 66.56 C ATOM 852 CD1 PHE A 96 -4.160 0.545 -3.901 1.00 75.02 C ATOM 853 CD2 PHE A 96 -3.329 2.373 -2.618 1.00 69.22 C ATOM 854 CE1 PHE A 96 -3.013 -0.175 -3.624 1.00 77.22 C ATOM 855 CE2 PHE A 96 -2.180 1.661 -2.338 1.00 76.62 C ATOM 856 CZ PHE A 96 -2.022 0.384 -2.841 1.00 78.40 C ATOM 857 H PHE A 96 -4.545 4.349 -5.537 1.00 0.00 H ATOM 858 N PHE A 97 -7.349 4.613 -5.695 1.00 51.75 N ATOM 859 CA PHE A 97 -8.613 5.321 -5.840 1.00 59.72 C ATOM 860 C PHE A 97 -8.585 6.084 -7.154 1.00 69.93 C ATOM 861 O PHE A 97 -7.605 6.775 -7.452 1.00 73.48 O ATOM 862 CB PHE A 97 -8.853 6.277 -4.661 1.00 42.04 C ATOM 863 CG PHE A 97 -8.684 5.631 -3.313 1.00 54.52 C ATOM 864 CD1 PHE A 97 -9.737 4.961 -2.711 1.00 59.62 C ATOM 865 CD2 PHE A 97 -7.467 5.686 -2.653 1.00 56.36 C ATOM 866 CE1 PHE A 97 -9.578 4.356 -1.472 1.00 65.86 C ATOM 867 CE2 PHE A 97 -7.301 5.086 -1.416 1.00 65.60 C ATOM 868 CZ PHE A 97 -8.358 4.420 -0.824 1.00 64.75 C ATOM 869 H PHE A 97 -6.465 5.135 -5.863 1.00 0.00 H ATOM 870 N GLN A 98 -9.647 5.948 -7.941 1.00 73.23 N ATOM 871 CA GLN A 98 -9.707 6.599 -9.244 1.00 75.73 C ATOM 872 C GLN A 98 -10.953 7.468 -9.387 1.00 85.17 C ATOM 873 O GLN A 98 -10.868 8.699 -9.406 1.00 83.82 O ATOM 874 CB GLN A 98 -9.666 5.558 -10.361 1.00 73.82 C ATOM 875 CG GLN A 98 -8.316 4.879 -10.521 1.00 79.63 C ATOM 876 CD GLN A 98 -8.261 3.527 -9.837 1.00 87.80 C ATOM 877 OE1 GLN A 98 -9.278 2.846 -9.704 1.00 91.58 O ATOM 878 NE2 GLN A 98 -7.071 3.131 -9.398 1.00 86.33 N ATOM 879 OXT GLN A 98 -12.069 6.963 -9.489 1.00 86.64 O ATOM 880 HE22 GLN A 98 -6.238 3.739 -9.532 1.00 0.00 H ATOM 881 HE21 GLN A 98 -6.972 2.213 -8.920 1.00 0.00 H ATOM 882 H GLN A 98 -10.449 5.367 -7.622 1.00 0.00 H TER 883 GLN A 98 ATOM 884 N HIS B 8 -21.697 2.238 10.800 1.00110.73 N ATOM 885 CA HIS B 8 -21.119 2.960 11.928 1.00113.50 C ATOM 886 C HIS B 8 -21.497 4.442 11.906 1.00111.72 C ATOM 887 O HIS B 8 -22.544 4.820 11.379 1.00113.42 O ATOM 888 CB HIS B 8 -19.595 2.803 11.943 1.00109.93 C ATOM 889 CG HIS B 8 -19.111 1.668 12.793 1.00113.96 C ATOM 890 ND1 HIS B 8 -18.640 1.849 14.076 1.00117.47 N ATOM 891 CD2 HIS B 8 -19.029 0.339 12.546 1.00119.28 C ATOM 892 CE1 HIS B 8 -18.286 0.681 14.582 1.00122.20 C ATOM 893 NE2 HIS B 8 -18.512 -0.252 13.674 1.00123.27 N ATOM 894 HN3 HIS B 8 -21.350 2.651 9.911 1.00 0.00 H ATOM 895 HN2 HIS B 8 -22.734 2.312 10.837 1.00 0.00 H ATOM 896 HN1 HIS B 8 -21.418 1.237 10.851 1.00 0.00 H ATOM 897 N ASP B 9 -20.624 5.276 12.474 1.00 99.31 N ATOM 898 CA ASP B 9 -20.964 6.673 12.716 1.00 81.40 C ATOM 899 C ASP B 9 -20.959 7.518 11.448 1.00 71.85 C ATOM 900 O ASP B 9 -21.737 8.473 11.348 1.00 63.96 O ATOM 901 CB ASP B 9 -19.997 7.276 13.735 1.00 71.41 C ATOM 902 CG ASP B 9 -20.155 6.673 15.114 1.00 83.30 C ATOM 903 OD1 ASP B 9 -21.106 5.884 15.318 1.00 81.97 O ATOM 904 OD2 ASP B 9 -19.329 6.984 15.998 1.00 77.56 O ATOM 905 H ASP B 9 -19.685 4.924 12.749 1.00 0.00 H ATOM 906 N ASN B 10 -20.107 7.198 10.480 1.00 62.41 N ATOM 907 CA ASN B 10 -19.843 8.099 9.369 1.00 63.73 C ATOM 908 C ASN B 10 -20.345 7.532 8.046 1.00 58.17 C ATOM 909 O ASN B 10 -20.713 6.360 7.928 1.00 56.09 O ATOM 910 CB ASN B 10 -18.348 8.413 9.278 1.00 67.07 C ATOM 911 CG ASN B 10 -17.907 9.447 10.295 1.00 73.62 C ATOM 912 OD1 ASN B 10 -18.723 10.198 10.826 1.00 83.94 O ATOM 913 ND2 ASN B 10 -16.608 9.498 10.562 1.00 67.36 N ATOM 914 HD22 ASN B 10 -15.954 8.843 10.089 1.00 0.00 H ATOM 915 HD21 ASN B 10 -16.244 10.193 11.244 1.00 0.00 H ATOM 916 H ASN B 10 -19.617 6.281 10.518 1.00 0.00 H ATOM 917 N VAL B 11 -20.341 8.403 7.039 1.00 52.31 N ATOM 918 CA VAL B 11 -20.842 8.109 5.700 1.00 46.67 C ATOM 919 C VAL B 11 -19.889 8.730 4.685 1.00 42.63 C ATOM 920 O VAL B 11 -19.358 9.823 4.906 1.00 34.02 O ATOM 921 CB VAL B 11 -22.279 8.645 5.512 1.00 52.32 C ATOM 922 CG1 VAL B 11 -22.616 8.834 4.041 1.00 56.18 C ATOM 923 CG2 VAL B 11 -23.272 7.708 6.160 1.00 67.05 C ATOM 924 H VAL B 11 -19.957 9.353 7.218 1.00 0.00 H ATOM 925 N ILE B 12 -19.660 8.028 3.578 1.00 46.34 N ATOM 926 CA ILE B 12 -18.842 8.534 2.483 1.00 35.48 C ATOM 927 C ILE B 12 -19.765 9.010 1.369 1.00 41.87 C ATOM 928 O ILE B 12 -20.567 8.231 0.838 1.00 43.22 O ATOM 929 CB ILE B 12 -17.867 7.467 1.965 1.00 38.09 C ATOM 930 CG1 ILE B 12 -16.908 7.033 3.072 1.00 36.77 C ATOM 931 CG2 ILE B 12 -17.099 8.000 0.759 1.00 33.52 C ATOM 932 CD1 ILE B 12 -15.733 7.958 3.260 1.00 43.52 C ATOM 933 H ILE B 12 -20.081 7.081 3.491 1.00 0.00 H ATOM 934 N LEU B 13 -19.658 10.287 1.018 1.00 37.13 N ATOM 935 CA LEU B 13 -20.322 10.839 -0.154 1.00 35.95 C ATOM 936 C LEU B 13 -19.307 10.935 -1.284 1.00 36.49 C ATOM 937 O LEU B 13 -18.232 11.517 -1.108 1.00 34.80 O ATOM 938 CB LEU B 13 -20.916 12.219 0.140 1.00 33.88 C ATOM 939 CG LEU B 13 -21.966 12.332 1.248 1.00 43.16 C ATOM 940 CD1 LEU B 13 -22.541 13.745 1.298 1.00 42.95 C ATOM 941 CD2 LEU B 13 -23.072 11.299 1.068 1.00 41.78 C ATOM 942 H LEU B 13 -19.076 10.918 1.605 1.00 0.00 H ATOM 943 N GLU B 14 -19.640 10.354 -2.434 1.00 34.09 N ATOM 944 CA GLU B 14 -18.767 10.377 -3.600 1.00 38.67 C ATOM 945 C GLU B 14 -19.402 11.239 -4.680 1.00 39.08 C ATOM 946 O GLU B 14 -20.502 10.937 -5.154 1.00 41.79 O ATOM 947 CB GLU B 14 -18.502 8.965 -4.123 1.00 40.96 C ATOM 948 CG GLU B 14 -17.391 8.912 -5.161 1.00 62.02 C ATOM 949 CD GLU B 14 -17.330 7.588 -5.895 1.00 78.33 C ATOM 950 OE1 GLU B 14 -17.427 7.594 -7.141 1.00 84.50 O ATOM 951 OE2 GLU B 14 -17.179 6.542 -5.228 1.00 82.95 O ATOM 952 H GLU B 14 -20.556 9.866 -2.503 1.00 0.00 H ATOM 953 N LEU B 15 -18.707 12.304 -5.065 1.00 33.46 N ATOM 954 CA LEU B 15 -19.173 13.232 -6.084 1.00 28.32 C ATOM 955 C LEU B 15 -18.331 13.096 -7.343 1.00 31.30 C ATOM 956 O LEU B 15 -17.109 12.930 -7.272 1.00 33.66 O ATOM 957 CB LEU B 15 -19.101 14.686 -5.602 1.00 33.86 C ATOM 958 CG LEU B 15 -20.070 15.274 -4.571 1.00 37.93 C ATOM 959 CD1 LEU B 15 -20.058 14.517 -3.249 1.00 36.07 C ATOM 960 CD2 LEU B 15 -19.741 16.743 -4.355 1.00 37.48 C ATOM 961 H LEU B 15 -17.786 12.483 -4.616 1.00 0.00 H ATOM 962 N THR B 16 -18.989 13.169 -8.492 1.00 42.04 N ATOM 963 CA THR B 16 -18.322 13.423 -9.762 1.00 34.03 C ATOM 964 C THR B 16 -18.647 14.855 -10.163 1.00 36.38 C ATOM 965 O THR B 16 -19.823 15.215 -10.294 1.00 36.37 O ATOM 966 CB THR B 16 -18.772 12.441 -10.843 1.00 43.94 C ATOM 967 OG1 THR B 16 -18.664 11.101 -10.348 1.00 48.64 O ATOM 968 CG2 THR B 16 -17.899 12.590 -12.089 1.00 36.65 C ATOM 969 HG1 THR B 16 -19.239 10.998 -9.549 1.00 0.00 H ATOM 970 H THR B 16 -20.021 13.040 -8.486 1.00 0.00 H ATOM 971 N VAL B 17 -17.609 15.677 -10.322 1.00 30.51 N ATOM 972 CA VAL B 17 -17.782 17.089 -10.617 1.00 30.70 C ATOM 973 C VAL B 17 -16.892 17.465 -11.792 1.00 34.33 C ATOM 974 O VAL B 17 -15.943 16.760 -12.139 1.00 32.72 O ATOM 975 CB VAL B 17 -17.464 17.997 -9.405 1.00 34.08 C ATOM 976 CG1 VAL B 17 -18.136 17.478 -8.129 1.00 33.85 C ATOM 977 CG2 VAL B 17 -15.960 18.123 -9.216 1.00 28.04 C ATOM 978 H VAL B 17 -16.646 15.295 -10.232 1.00 0.00 H ATOM 979 N ARG B 18 -17.229 18.592 -12.412 1.00 43.70 N ATOM 980 CA ARG B 18 -16.348 19.221 -13.384 1.00 35.24 C ATOM 981 C ARG B 18 -15.102 19.745 -12.683 1.00 34.51 C ATOM 982 O ARG B 18 -15.177 20.305 -11.585 1.00 31.55 O ATOM 983 CB ARG B 18 -17.077 20.366 -14.085 1.00 43.55 C ATOM 984 CG ARG B 18 -18.425 19.989 -14.671 1.00 55.15 C ATOM 985 CD ARG B 18 -18.318 19.324 -16.035 1.00 64.78 C ATOM 986 NE ARG B 18 -19.652 19.210 -16.641 1.00 78.84 N ATOM 987 CZ ARG B 18 -19.968 18.409 -17.657 1.00 84.73 C ATOM 988 NH1 ARG B 18 -19.036 17.657 -18.228 1.00 76.72 N ATOM 989 NH2 ARG B 18 -21.213 18.378 -18.117 1.00 93.64 N ATOM 990 HE ARG B 18 -20.410 19.802 -16.245 1.00 0.00 H ATOM 991 HH12 ARG B 18 -19.286 17.032 -19.021 1.00 0.00 H ATOM 992 HH11 ARG B 18 -18.056 17.692 -17.882 1.00 0.00 H ATOM 993 HH22 ARG B 18 -21.459 17.752 -18.910 1.00 0.00 H ATOM 994 HH21 ARG B 18 -21.943 18.980 -17.684 1.00 0.00 H ATOM 995 H ARG B 18 -18.145 19.035 -12.197 1.00 0.00 H ATOM 996 N ASN B 19 -13.946 19.553 -13.313 1.00 36.38 N ATOM 997 CA ASN B 19 -12.678 19.989 -12.724 1.00 37.58 C ATOM 998 C ASN B 19 -12.457 21.469 -13.053 1.00 41.70 C ATOM 999 O ASN B 19 -11.569 21.854 -13.818 1.00 48.83 O ATOM 1000 CB ASN B 19 -11.535 19.109 -13.218 1.00 43.52 C ATOM 1001 CG ASN B 19 -10.228 19.382 -12.497 1.00 42.92 C ATOM 1002 OD1 ASN B 19 -10.199 20.059 -11.471 1.00 41.99 O ATOM 1003 ND2 ASN B 19 -9.138 18.838 -13.026 1.00 34.80 N ATOM 1004 HD22 ASN B 19 -9.209 18.272 -13.896 1.00 0.00 H ATOM 1005 HD21 ASN B 19 -8.214 18.978 -12.570 1.00 0.00 H ATOM 1006 H ASN B 19 -13.943 19.084 -14.241 1.00 0.00 H ATOM 1007 N HIS B 20 -13.310 22.304 -12.455 1.00 33.72 N ATOM 1008 CA HIS B 20 -13.321 23.745 -12.645 1.00 35.52 C ATOM 1009 C HIS B 20 -12.964 24.459 -11.347 1.00 48.50 C ATOM 1010 O HIS B 20 -13.227 23.941 -10.257 1.00 31.09 O ATOM 1011 CB HIS B 20 -14.696 24.244 -13.113 1.00 37.31 C ATOM 1012 CG HIS B 20 -15.075 23.801 -14.490 1.00 48.03 C ATOM 1013 ND1 HIS B 20 -16.246 24.199 -15.100 1.00 42.80 N ATOM 1014 CD2 HIS B 20 -14.447 22.989 -15.371 1.00 41.53 C ATOM 1015 CE1 HIS B 20 -16.319 23.655 -16.301 1.00 49.16 C ATOM 1016 NE2 HIS B 20 -15.241 22.914 -16.489 1.00 50.23 N ATOM 1017 H HIS B 20 -14.015 21.895 -11.809 1.00 0.00 H ATOM 1018 N PRO B 21 -12.378 25.651 -11.428 1.00 35.60 N ATOM 1019 CA PRO B 21 -12.138 26.433 -10.211 1.00 41.86 C ATOM 1020 C PRO B 21 -13.435 26.704 -9.462 1.00 46.96 C ATOM 1021 O PRO B 21 -14.469 27.011 -10.061 1.00 40.40 O ATOM 1022 CB PRO B 21 -11.515 27.730 -10.741 1.00 38.10 C ATOM 1023 CG PRO B 21 -10.871 27.328 -12.021 1.00 40.13 C ATOM 1024 CD PRO B 21 -11.777 26.283 -12.615 1.00 39.18 C ATOM 1025 N GLY B 22 -13.378 26.554 -8.139 1.00 32.44 N ATOM 1026 CA GLY B 22 -14.450 26.992 -7.273 1.00 31.41 C ATOM 1027 C GLY B 22 -15.510 25.964 -6.938 1.00 37.22 C ATOM 1028 O GLY B 22 -16.402 26.268 -6.137 1.00 37.60 O ATOM 1029 H GLY B 22 -12.538 26.109 -7.717 1.00 0.00 H ATOM 1030 N VAL B 23 -15.457 24.761 -7.516 1.00 31.55 N ATOM 1031 CA VAL B 23 -16.502 23.783 -7.227 1.00 40.38 C ATOM 1032 C VAL B 23 -16.342 23.229 -5.815 1.00 34.20 C ATOM 1033 O VAL B 23 -17.333 22.969 -5.124 1.00 44.23 O ATOM 1034 CB VAL B 23 -16.520 22.669 -8.293 1.00 46.08 C ATOM 1035 CG1 VAL B 23 -15.142 22.154 -8.542 1.00 51.50 C ATOM 1036 CG2 VAL B 23 -17.423 21.521 -7.864 1.00 36.80 C ATOM 1037 H VAL B 23 -14.680 24.523 -8.165 1.00 0.00 H ATOM 1038 N MET B 24 -15.102 23.069 -5.348 1.00 34.14 N ATOM 1039 CA MET B 24 -14.904 22.583 -3.984 1.00 28.03 C ATOM 1040 C MET B 24 -15.388 23.597 -2.956 1.00 34.81 C ATOM 1041 O MET B 24 -15.890 23.219 -1.891 1.00 34.93 O ATOM 1042 CB MET B 24 -13.437 22.250 -3.731 1.00 27.99 C ATOM 1043 CG MET B 24 -13.177 21.631 -2.353 1.00 29.69 C ATOM 1044 SD MET B 24 -13.570 19.870 -2.228 1.00 37.15 S ATOM 1045 CE MET B 24 -15.322 19.861 -1.886 1.00 49.88 C ATOM 1046 H MET B 24 -14.283 23.288 -5.950 1.00 0.00 H ATOM 1047 N THR B 25 -15.233 24.889 -3.249 1.00 29.69 N ATOM 1048 CA THR B 25 -15.743 25.916 -2.347 1.00 39.79 C ATOM 1049 C THR B 25 -17.260 25.835 -2.238 1.00 40.35 C ATOM 1050 O THR B 25 -17.819 25.897 -1.136 1.00 37.27 O ATOM 1051 CB THR B 25 -15.313 27.301 -2.831 1.00 40.82 C ATOM 1052 OG1 THR B 25 -13.884 27.357 -2.905 1.00 51.07 O ATOM 1053 CG2 THR B 25 -15.801 28.374 -1.876 1.00 46.09 C ATOM 1054 HG1 THR B 25 -13.560 26.669 -3.539 1.00 0.00 H ATOM 1055 H THR B 25 -14.746 25.166 -4.125 1.00 0.00 H ATOM 1056 N HIS B 26 -17.941 25.687 -3.378 1.00 35.35 N ATOM 1057 CA HIS B 26 -19.399 25.615 -3.370 1.00 40.95 C ATOM 1058 C HIS B 26 -19.889 24.368 -2.645 1.00 37.84 C ATOM 1059 O HIS B 26 -20.846 24.434 -1.861 1.00 39.89 O ATOM 1060 CB HIS B 26 -19.939 25.645 -4.800 1.00 42.96 C ATOM 1061 CG HIS B 26 -19.794 26.974 -5.474 1.00 59.22 C ATOM 1062 ND1 HIS B 26 -20.080 27.168 -6.809 1.00 62.94 N ATOM 1063 CD2 HIS B 26 -19.390 28.175 -4.998 1.00 60.81 C ATOM 1064 CE1 HIS B 26 -19.861 28.432 -7.125 1.00 60.98 C ATOM 1065 NE2 HIS B 26 -19.440 29.064 -6.044 1.00 63.65 N ATOM 1066 H HIS B 26 -17.427 25.622 -4.280 1.00 0.00 H ATOM 1067 N VAL B 27 -19.245 23.225 -2.891 1.00 26.19 N ATOM 1068 CA VAL B 27 -19.653 21.980 -2.242 1.00 31.26 C ATOM 1069 C VAL B 27 -19.504 22.100 -0.729 1.00 35.83 C ATOM 1070 O VAL B 27 -20.428 21.789 0.031 1.00 40.46 O ATOM 1071 CB VAL B 27 -18.843 20.795 -2.796 1.00 30.77 C ATOM 1072 CG1 VAL B 27 -19.008 19.567 -1.907 1.00 23.51 C ATOM 1073 CG2 VAL B 27 -19.263 20.485 -4.230 1.00 31.85 C ATOM 1074 H VAL B 27 -18.443 23.220 -3.553 1.00 0.00 H ATOM 1075 N CYS B 28 -18.341 22.567 -0.273 1.00 34.31 N ATOM 1076 CA CYS B 28 -18.089 22.664 1.160 1.00 36.40 C ATOM 1077 C CYS B 28 -18.899 23.784 1.799 1.00 45.02 C ATOM 1078 O CYS B 28 -19.225 23.707 2.991 1.00 36.63 O ATOM 1079 CB CYS B 28 -16.596 22.877 1.420 1.00 30.04 C ATOM 1080 SG CYS B 28 -15.583 21.397 1.204 1.00 43.99 S ATOM 1081 H CYS B 28 -17.606 22.865 -0.946 1.00 0.00 H ATOM 1082 N GLY B 29 -19.226 24.828 1.029 1.00 40.09 N ATOM 1083 CA GLY B 29 -20.003 25.924 1.578 1.00 30.78 C ATOM 1084 C GLY B 29 -21.390 25.503 2.018 1.00 32.40 C ATOM 1085 O GLY B 29 -21.943 26.069 2.965 1.00 37.52 O ATOM 1086 H GLY B 29 -18.923 24.854 0.035 1.00 0.00 H ATOM 1087 N LEU B 30 -21.972 24.510 1.343 1.00 31.73 N ATOM 1088 CA LEU B 30 -23.268 23.987 1.761 1.00 41.34 C ATOM 1089 C LEU B 30 -23.191 23.403 3.166 1.00 35.26 C ATOM 1090 O LEU B 30 -24.086 23.623 3.988 1.00 41.57 O ATOM 1091 CB LEU B 30 -23.752 22.935 0.764 1.00 33.26 C ATOM 1092 CG LEU B 30 -24.027 23.434 -0.655 1.00 50.79 C ATOM 1093 CD1 LEU B 30 -24.233 22.262 -1.601 1.00 45.27 C ATOM 1094 CD2 LEU B 30 -25.233 24.363 -0.673 1.00 48.78 C ATOM 1095 H LEU B 30 -21.497 24.105 0.511 1.00 0.00 H ATOM 1096 N PHE B 31 -22.129 22.648 3.455 1.00 32.05 N ATOM 1097 CA PHE B 31 -21.924 22.128 4.803 1.00 33.35 C ATOM 1098 C PHE B 31 -21.597 23.255 5.772 1.00 36.60 C ATOM 1099 O PHE B 31 -22.148 23.320 6.877 1.00 36.34 O ATOM 1100 CB PHE B 31 -20.805 21.082 4.799 1.00 29.79 C ATOM 1101 CG PHE B 31 -21.170 19.809 4.088 1.00 33.21 C ATOM 1102 CD1 PHE B 31 -20.921 19.664 2.732 1.00 29.31 C ATOM 1103 CD2 PHE B 31 -21.765 18.758 4.771 1.00 41.24 C ATOM 1104 CE1 PHE B 31 -21.260 18.497 2.070 1.00 29.51 C ATOM 1105 CE2 PHE B 31 -22.107 17.589 4.113 1.00 44.58 C ATOM 1106 CZ PHE B 31 -21.856 17.459 2.760 1.00 28.98 C ATOM 1107 H PHE B 31 -21.438 22.427 2.709 1.00 0.00 H ATOM 1108 N ALA B 32 -20.705 24.159 5.359 1.00 36.01 N ATOM 1109 CA ALA B 32 -20.271 25.245 6.232 1.00 39.76 C ATOM 1110 C ALA B 32 -21.441 26.122 6.659 1.00 38.23 C ATOM 1111 O ALA B 32 -21.519 26.545 7.816 1.00 41.32 O ATOM 1112 CB ALA B 32 -19.208 26.083 5.524 1.00 33.66 C ATOM 1113 H ALA B 32 -20.313 24.088 4.398 1.00 0.00 H ATOM 1114 N ARG B 33 -22.368 26.395 5.742 1.00 38.86 N ATOM 1115 CA ARG B 33 -23.477 27.292 6.041 1.00 44.55 C ATOM 1116 C ARG B 33 -24.387 26.742 7.134 1.00 51.25 C ATOM 1117 O ARG B 33 -25.188 27.498 7.695 1.00 49.21 O ATOM 1118 CB ARG B 33 -24.264 27.573 4.756 1.00 43.19 C ATOM 1119 CG ARG B 33 -25.494 26.709 4.560 1.00 59.71 C ATOM 1120 CD ARG B 33 -26.100 26.910 3.171 1.00 65.27 C ATOM 1121 NE ARG B 33 -26.456 28.296 2.882 1.00 66.93 N ATOM 1122 CZ ARG B 33 -27.653 28.824 3.126 1.00 77.54 C ATOM 1123 NH1 ARG B 33 -28.608 28.077 3.661 1.00 82.87 N ATOM 1124 NH2 ARG B 33 -27.899 30.094 2.826 1.00 75.31 N ATOM 1125 HE ARG B 33 -25.729 28.908 2.459 1.00 0.00 H ATOM 1126 HH12 ARG B 33 -29.544 28.488 3.852 1.00 0.00 H ATOM 1127 HH11 ARG B 33 -28.421 27.080 3.890 1.00 0.00 H ATOM 1128 HH22 ARG B 33 -28.836 30.502 3.019 1.00 0.00 H ATOM 1129 HH21 ARG B 33 -27.155 30.681 2.398 1.00 0.00 H ATOM 1130 H ARG B 33 -22.299 25.962 4.799 1.00 0.00 H ATOM 1131 N ARG B 34 -24.263 25.456 7.465 1.00 56.01 N ATOM 1132 CA ARG B 34 -25.044 24.828 8.524 1.00 57.90 C ATOM 1133 C ARG B 34 -24.198 24.434 9.729 1.00 46.54 C ATOM 1134 O ARG B 34 -24.694 23.722 10.608 1.00 48.76 O ATOM 1135 CB ARG B 34 -25.771 23.592 7.985 1.00 52.99 C ATOM 1136 CG ARG B 34 -26.626 23.842 6.753 1.00 49.27 C ATOM 1137 CD ARG B 34 -28.090 24.029 7.116 1.00 64.86 C ATOM 1138 NE ARG B 34 -28.870 22.813 6.889 1.00 83.84 N ATOM 1139 CZ ARG B 34 -29.656 22.246 7.799 1.00 94.30 C ATOM 1140 NH1 ARG B 34 -29.778 22.782 9.006 1.00 92.86 N ATOM 1141 NH2 ARG B 34 -30.328 21.141 7.499 1.00 99.23 N ATOM 1142 HE ARG B 34 -28.806 22.362 5.954 1.00 0.00 H ATOM 1143 HH12 ARG B 34 -30.394 22.334 9.714 1.00 0.00 H ATOM 1144 HH11 ARG B 34 -29.257 23.650 9.244 1.00 0.00 H ATOM 1145 HH22 ARG B 34 -30.943 20.697 8.211 1.00 0.00 H ATOM 1146 HH21 ARG B 34 -30.239 20.719 6.552 1.00 0.00 H ATOM 1147 H ARG B 34 -23.577 24.874 6.943 1.00 0.00 H ATOM 1148 N ALA B 35 -22.937 24.875 9.792 1.00 44.70 N ATOM 1149 CA ALA B 35 -21.992 24.436 10.824 1.00 44.78 C ATOM 1150 C ALA B 35 -21.855 22.914 10.834 1.00 43.04 C ATOM 1151 O ALA B 35 -21.639 22.296 11.880 1.00 44.69 O ATOM 1152 CB ALA B 35 -22.386 24.956 12.210 1.00 49.42 C ATOM 1153 H ALA B 35 -22.613 25.559 9.079 1.00 0.00 H ATOM 1154 N PHE B 36 -21.991 22.309 9.658 1.00 40.22 N ATOM 1155 CA PHE B 36 -21.848 20.871 9.481 1.00 38.74 C ATOM 1156 C PHE B 36 -20.383 20.583 9.175 1.00 42.53 C ATOM 1157 O PHE B 36 -19.849 21.066 8.169 1.00 36.09 O ATOM 1158 CB PHE B 36 -22.766 20.399 8.351 1.00 39.97 C ATOM 1159 CG PHE B 36 -22.998 18.905 8.300 1.00 57.97 C ATOM 1160 CD1 PHE B 36 -21.970 17.997 8.506 1.00 63.90 C ATOM 1161 CD2 PHE B 36 -24.268 18.414 8.037 1.00 63.22 C ATOM 1162 CE1 PHE B 36 -22.204 16.630 8.447 1.00 48.76 C ATOM 1163 CE2 PHE B 36 -24.509 17.053 7.980 1.00 61.64 C ATOM 1164 CZ PHE B 36 -23.477 16.161 8.185 1.00 52.01 C ATOM 1165 H PHE B 36 -22.210 22.891 8.824 1.00 0.00 H ATOM 1166 N ASN B 37 -19.735 19.808 10.040 1.00 38.73 N ATOM 1167 CA ASN B 37 -18.314 19.541 9.873 1.00 41.40 C ATOM 1168 C ASN B 37 -18.079 18.453 8.833 1.00 31.96 C ATOM 1169 O ASN B 37 -18.893 17.545 8.653 1.00 36.79 O ATOM 1170 CB ASN B 37 -17.679 19.128 11.201 1.00 36.65 C ATOM 1171 CG ASN B 37 -16.170 19.313 11.206 1.00 52.73 C ATOM 1172 OD1 ASN B 37 -15.665 20.399 10.913 1.00 36.55 O ATOM 1173 ND2 ASN B 37 -15.440 18.244 11.524 1.00 35.90 N ATOM 1174 HD22 ASN B 37 -15.909 17.347 11.765 1.00 0.00 H ATOM 1175 HD21 ASN B 37 -14.402 18.307 11.531 1.00 0.00 H ATOM 1176 H ASN B 37 -20.248 19.389 10.842 1.00 0.00 H ATOM 1177 N VAL B 38 -16.951 18.562 8.138 1.00 35.60 N ATOM 1178 CA VAL B 38 -16.474 17.532 7.223 1.00 38.83 C ATOM 1179 C VAL B 38 -15.213 16.930 7.826 1.00 38.52 C ATOM 1180 O VAL B 38 -14.275 17.658 8.170 1.00 37.96 O ATOM 1181 CB VAL B 38 -16.208 18.095 5.816 1.00 36.41 C ATOM 1182 CG1 VAL B 38 -15.743 16.987 4.884 1.00 35.48 C ATOM 1183 CG2 VAL B 38 -17.462 18.771 5.266 1.00 25.73 C ATOM 1184 H VAL B 38 -16.381 19.424 8.253 1.00 0.00 H ATOM 1185 N GLU B 39 -15.196 15.606 7.963 1.00 39.62 N ATOM 1186 CA GLU B 39 -14.131 14.931 8.697 1.00 38.31 C ATOM 1187 C GLU B 39 -12.943 14.567 7.816 1.00 39.12 C ATOM 1188 O GLU B 39 -11.793 14.712 8.242 1.00 41.52 O ATOM 1189 CB GLU B 39 -14.681 13.673 9.374 1.00 42.60 C ATOM 1190 CG GLU B 39 -15.632 13.963 10.523 1.00 55.59 C ATOM 1191 CD GLU B 39 -15.049 14.934 11.536 1.00 65.58 C ATOM 1192 OE1 GLU B 39 -13.846 14.814 11.866 1.00 52.54 O ATOM 1193 OE2 GLU B 39 -15.796 15.823 12.001 1.00 67.00 O ATOM 1194 H GLU B 39 -15.958 15.041 7.538 1.00 0.00 H ATOM 1195 N GLY B 40 -13.190 14.096 6.604 1.00 40.38 N ATOM 1196 CA GLY B 40 -12.113 13.726 5.703 1.00 32.62 C ATOM 1197 C GLY B 40 -12.486 14.044 4.277 1.00 31.47 C ATOM 1198 O GLY B 40 -13.658 13.978 3.891 1.00 33.84 O ATOM 1199 H GLY B 40 -14.176 13.989 6.290 1.00 0.00 H ATOM 1200 N ILE B 41 -11.480 14.399 3.484 1.00 31.20 N ATOM 1201 CA ILE B 41 -11.683 14.762 2.087 1.00 27.32 C ATOM 1202 C ILE B 41 -10.579 14.145 1.243 1.00 40.04 C ATOM 1203 O ILE B 41 -9.396 14.248 1.586 1.00 33.89 O ATOM 1204 CB ILE B 41 -11.718 16.290 1.870 1.00 31.76 C ATOM 1205 CG1 ILE B 41 -12.816 16.945 2.711 1.00 30.25 C ATOM 1206 CG2 ILE B 41 -11.918 16.620 0.402 1.00 21.20 C ATOM 1207 CD1 ILE B 41 -12.964 18.424 2.451 1.00 30.44 C ATOM 1208 H ILE B 41 -10.516 14.418 3.873 1.00 0.00 H ATOM 1209 N LEU B 42 -10.968 13.504 0.142 1.00 30.03 N ATOM 1210 CA LEU B 42 -10.050 13.109 -0.914 1.00 24.81 C ATOM 1211 C LEU B 42 -10.601 13.619 -2.235 1.00 33.99 C ATOM 1212 O LEU B 42 -11.772 13.386 -2.551 1.00 38.92 O ATOM 1213 CB LEU B 42 -9.864 11.591 -0.976 1.00 26.51 C ATOM 1214 CG LEU B 42 -9.035 11.119 -2.176 1.00 38.11 C ATOM 1215 CD1 LEU B 42 -7.636 11.733 -2.133 1.00 26.23 C ATOM 1216 CD2 LEU B 42 -8.971 9.592 -2.258 1.00 33.42 C ATOM 1217 H LEU B 42 -11.977 13.275 0.033 1.00 0.00 H ATOM 1218 N CYS B 43 -9.768 14.316 -3.002 1.00 22.40 N ATOM 1219 CA CYS B 43 -10.153 14.831 -4.310 1.00 22.46 C ATOM 1220 C CYS B 43 -9.081 14.448 -5.324 1.00 24.08 C ATOM 1221 O CYS B 43 -7.907 14.780 -5.136 1.00 24.80 O ATOM 1222 CB CYS B 43 -10.344 16.352 -4.264 1.00 28.71 C ATOM 1223 SG CYS B 43 -11.655 16.909 -3.132 1.00 24.42 S ATOM 1224 H CYS B 43 -8.805 14.501 -2.655 1.00 0.00 H ATOM 1225 N LEU B 44 -9.489 13.770 -6.390 1.00 25.18 N ATOM 1226 CA LEU B 44 -8.599 13.322 -7.448 1.00 27.35 C ATOM 1227 C LEU B 44 -9.198 13.638 -8.808 1.00 33.18 C ATOM 1228 O LEU B 44 -10.398 13.424 -9.029 1.00 36.37 O ATOM 1229 CB LEU B 44 -8.336 11.812 -7.355 1.00 29.84 C ATOM 1230 CG LEU B 44 -7.599 11.291 -6.125 1.00 38.47 C ATOM 1231 CD1 LEU B 44 -7.430 9.784 -6.210 1.00 36.94 C ATOM 1232 CD2 LEU B 44 -6.246 11.975 -6.016 1.00 38.29 C ATOM 1233 H LEU B 44 -10.501 13.547 -6.473 1.00 0.00 H ATOM 1234 N PRO B 45 -8.399 14.145 -9.741 1.00 31.47 N ATOM 1235 CA PRO B 45 -8.868 14.254 -11.123 1.00 39.73 C ATOM 1236 C PRO B 45 -9.052 12.873 -11.727 1.00 38.19 C ATOM 1237 O PRO B 45 -8.404 11.902 -11.328 1.00 40.56 O ATOM 1238 CB PRO B 45 -7.741 15.023 -11.818 1.00 34.02 C ATOM 1239 CG PRO B 45 -6.526 14.633 -11.041 1.00 41.65 C ATOM 1240 CD PRO B 45 -6.996 14.572 -9.604 1.00 31.10 C ATOM 1241 N ILE B 46 -9.966 12.785 -12.687 1.00 49.33 N ATOM 1242 CA ILE B 46 -10.211 11.548 -13.416 1.00 40.72 C ATOM 1243 C ILE B 46 -9.376 11.577 -14.687 1.00 42.09 C ATOM 1244 O ILE B 46 -9.373 12.577 -15.415 1.00 55.12 O ATOM 1245 CB ILE B 46 -11.707 11.364 -13.718 1.00 48.51 C ATOM 1246 CG1 ILE B 46 -12.451 10.991 -12.430 1.00 42.78 C ATOM 1247 CG2 ILE B 46 -11.920 10.294 -14.784 1.00 43.06 C ATOM 1248 CD1 ILE B 46 -13.922 11.335 -12.443 1.00 43.33 C ATOM 1249 H ILE B 46 -10.526 13.628 -12.926 1.00 0.00 H ATOM 1250 N GLN B 47 -8.647 10.490 -14.934 1.00 50.04 N ATOM 1251 CA GLN B 47 -7.681 10.444 -16.027 1.00 54.72 C ATOM 1252 C GLN B 47 -8.347 10.702 -17.371 1.00 57.10 C ATOM 1253 O GLN B 47 -9.460 10.235 -17.629 1.00 59.38 O ATOM 1254 CB GLN B 47 -6.986 9.082 -16.058 1.00 60.47 C ATOM 1255 CG GLN B 47 -5.490 9.134 -15.829 1.00 73.18 C ATOM 1256 CD GLN B 47 -4.778 7.928 -16.414 1.00 82.11 C ATOM 1257 OE1 GLN B 47 -5.069 6.786 -16.056 1.00 86.71 O ATOM 1258 NE2 GLN B 47 -3.841 8.178 -17.320 1.00 82.50 N ATOM 1259 HE22 GLN B 47 -3.629 9.159 -17.592 1.00 0.00 H ATOM 1260 HE21 GLN B 47 -3.319 7.393 -17.758 1.00 0.00 H ATOM 1261 H GLN B 47 -8.769 9.651 -14.332 1.00 0.00 H ATOM 1262 N ASP B 48 -7.641 11.444 -18.228 1.00 63.85 N ATOM 1263 CA ASP B 48 -8.062 11.726 -19.601 1.00 74.88 C ATOM 1264 C ASP B 48 -9.529 12.150 -19.641 1.00 64.20 C ATOM 1265 O ASP B 48 -10.379 11.522 -20.274 1.00 58.98 O ATOM 1266 CB ASP B 48 -7.805 10.517 -20.501 1.00 90.05 C ATOM 1267 CG ASP B 48 -6.330 10.198 -20.637 1.00103.30 C ATOM 1268 OD1 ASP B 48 -5.531 11.142 -20.815 1.00107.22 O ATOM 1269 OD2 ASP B 48 -5.969 9.006 -20.556 1.00109.74 O ATOM 1270 H ASP B 48 -6.739 11.845 -17.900 1.00 0.00 H ATOM 1271 N SER B 49 -9.807 13.239 -18.933 1.00 52.77 N ATOM 1272 CA SER B 49 -11.173 13.639 -18.630 1.00 50.83 C ATOM 1273 C SER B 49 -11.162 15.081 -18.151 1.00 53.32 C ATOM 1274 O SER B 49 -10.112 15.637 -17.814 1.00 54.85 O ATOM 1275 CB SER B 49 -11.794 12.718 -17.570 1.00 48.10 C ATOM 1276 OG SER B 49 -12.793 13.379 -16.812 1.00 51.60 O ATOM 1277 HG SER B 49 -13.166 12.752 -16.143 1.00 0.00 H ATOM 1278 H SER B 49 -9.022 13.825 -18.584 1.00 0.00 H ATOM 1279 N ASP B 50 -12.348 15.679 -18.133 1.00 47.71 N ATOM 1280 CA ASP B 50 -12.533 17.016 -17.598 1.00 48.22 C ATOM 1281 C ASP B 50 -13.216 17.004 -16.235 1.00 45.86 C ATOM 1282 O ASP B 50 -13.659 18.059 -15.766 1.00 40.13 O ATOM 1283 CB ASP B 50 -13.324 17.872 -18.594 1.00 52.75 C ATOM 1284 CG ASP B 50 -14.814 17.589 -18.564 1.00 56.70 C ATOM 1285 OD1 ASP B 50 -15.202 16.415 -18.386 1.00 51.58 O ATOM 1286 OD2 ASP B 50 -15.600 18.542 -18.738 1.00 64.31 O ATOM 1287 H ASP B 50 -13.172 15.172 -18.515 1.00 0.00 H ATOM 1288 N LYS B 51 -13.304 15.841 -15.588 1.00 41.60 N ATOM 1289 CA LYS B 51 -13.970 15.697 -14.304 1.00 36.83 C ATOM 1290 C LYS B 51 -12.970 15.359 -13.210 1.00 34.24 C ATOM 1291 O LYS B 51 -11.797 15.074 -13.458 1.00 40.27 O ATOM 1292 CB LYS B 51 -15.028 14.589 -14.324 1.00 45.85 C ATOM 1293 CG LYS B 51 -15.971 14.590 -15.481 1.00 46.92 C ATOM 1294 CD LYS B 51 -17.216 15.369 -15.172 1.00 64.09 C ATOM 1295 CE LYS B 51 -18.258 15.004 -16.193 1.00 72.70 C ATOM 1296 NZ LYS B 51 -17.680 15.109 -17.556 1.00 75.09 N ATOM 1297 HZ1 LYS B 51 -17.361 16.085 -17.722 1.00 0.00 H ATOM 1298 HZ2 LYS B 51 -16.872 14.460 -17.640 1.00 0.00 H ATOM 1299 HZ3 LYS B 51 -18.404 14.856 -18.259 1.00 0.00 H ATOM 1300 H LYS B 51 -12.876 14.998 -16.022 1.00 0.00 H ATOM 1301 N SER B 52 -13.484 15.355 -11.984 1.00 34.27 N ATOM 1302 CA SER B 52 -12.749 14.902 -10.816 1.00 33.29 C ATOM 1303 C SER B 52 -13.705 14.162 -9.893 1.00 36.26 C ATOM 1304 O SER B 52 -14.928 14.320 -9.973 1.00 29.32 O ATOM 1305 CB SER B 52 -12.093 16.067 -10.063 1.00 27.76 C ATOM 1306 OG SER B 52 -11.321 16.872 -10.936 1.00 31.93 O ATOM 1307 HG SER B 52 -10.911 17.613 -10.424 1.00 0.00 H ATOM 1308 H SER B 52 -14.459 15.692 -11.855 1.00 0.00 H ATOM 1309 N HIS B 53 -13.133 13.345 -9.015 1.00 27.68 N ATOM 1310 CA HIS B 53 -13.889 12.669 -7.973 1.00 31.16 C ATOM 1311 C HIS B 53 -13.638 13.342 -6.631 1.00 36.02 C ATOM 1312 O HIS B 53 -12.497 13.672 -6.295 1.00 31.60 O ATOM 1313 CB HIS B 53 -13.514 11.189 -7.890 1.00 28.50 C ATOM 1314 CG HIS B 53 -14.295 10.312 -8.817 1.00 40.28 C ATOM 1315 ND1 HIS B 53 -13.705 9.336 -9.591 1.00 45.18 N ATOM 1316 CD2 HIS B 53 -15.619 10.265 -9.095 1.00 39.73 C ATOM 1317 CE1 HIS B 53 -14.633 8.723 -10.305 1.00 46.17 C ATOM 1318 NE2 HIS B 53 -15.802 9.270 -10.025 1.00 49.96 N ATOM 1319 H HIS B 53 -12.107 13.183 -9.075 1.00 0.00 H ATOM 1320 N ILE B 54 -14.710 13.545 -5.871 1.00 34.53 N ATOM 1321 CA ILE B 54 -14.637 14.095 -4.522 1.00 22.60 C ATOM 1322 C ILE B 54 -15.249 13.078 -3.570 1.00 29.85 C ATOM 1323 O ILE B 54 -16.425 12.719 -3.707 1.00 32.98 O ATOM 1324 CB ILE B 54 -15.355 15.448 -4.406 1.00 29.39 C ATOM 1325 CG1 ILE B 54 -14.783 16.451 -5.405 1.00 29.35 C ATOM 1326 CG2 ILE B 54 -15.232 15.995 -2.986 1.00 30.66 C ATOM 1327 CD1 ILE B 54 -15.445 17.821 -5.353 1.00 23.06 C ATOM 1328 H ILE B 54 -15.644 13.300 -6.256 1.00 0.00 H ATOM 1329 N TRP B 55 -14.455 12.611 -2.613 1.00 28.22 N ATOM 1330 CA TRP B 55 -14.943 11.767 -1.532 1.00 23.92 C ATOM 1331 C TRP B 55 -15.000 12.595 -0.258 1.00 29.81 C ATOM 1332 O TRP B 55 -14.005 13.219 0.128 1.00 26.28 O ATOM 1333 CB TRP B 55 -14.049 10.546 -1.324 1.00 25.18 C ATOM 1334 CG TRP B 55 -13.995 9.587 -2.480 1.00 33.62 C ATOM 1335 CD1 TRP B 55 -14.777 8.484 -2.664 1.00 35.58 C ATOM 1336 CD2 TRP B 55 -13.081 9.619 -3.585 1.00 26.95 C ATOM 1337 NE1 TRP B 55 -14.419 7.839 -3.825 1.00 39.70 N ATOM 1338 CE2 TRP B 55 -13.381 8.514 -4.407 1.00 33.34 C ATOM 1339 CE3 TRP B 55 -12.044 10.480 -3.963 1.00 29.22 C ATOM 1340 CZ2 TRP B 55 -12.683 8.244 -5.586 1.00 30.58 C ATOM 1341 CZ3 TRP B 55 -11.352 10.212 -5.134 1.00 31.53 C ATOM 1342 CH2 TRP B 55 -11.672 9.098 -5.929 1.00 32.74 C ATOM 1343 HE1 TRP B 55 -14.865 6.978 -4.200 1.00 0.00 H ATOM 1344 H TRP B 55 -13.445 12.858 -2.637 1.00 0.00 H ATOM 1345 N LEU B 56 -16.160 12.608 0.386 1.00 32.65 N ATOM 1346 CA LEU B 56 -16.362 13.355 1.618 1.00 35.90 C ATOM 1347 C LEU B 56 -16.763 12.399 2.729 1.00 30.20 C ATOM 1348 O LEU B 56 -17.742 11.657 2.594 1.00 33.24 O ATOM 1349 CB LEU B 56 -17.427 14.441 1.445 1.00 23.67 C ATOM 1350 CG LEU B 56 -17.168 15.523 0.396 1.00 32.74 C ATOM 1351 CD1 LEU B 56 -18.359 16.469 0.302 1.00 31.20 C ATOM 1352 CD2 LEU B 56 -15.894 16.288 0.705 1.00 35.93 C ATOM 1353 H LEU B 56 -16.955 12.063 -0.005 1.00 0.00 H ATOM 1354 N LEU B 57 -16.005 12.419 3.820 1.00 31.85 N ATOM 1355 CA LEU B 57 -16.319 11.654 5.019 1.00 36.70 C ATOM 1356 C LEU B 57 -17.068 12.563 5.984 1.00 38.13 C ATOM 1357 O LEU B 57 -16.512 13.554 6.469 1.00 34.58 O ATOM 1358 CB LEU B 57 -15.045 11.103 5.663 1.00 29.24 C ATOM 1359 CG LEU B 57 -15.197 10.305 6.960 1.00 40.42 C ATOM 1360 CD1 LEU B 57 -15.941 9.008 6.709 1.00 41.97 C ATOM 1361 CD2 LEU B 57 -13.838 10.023 7.576 1.00 39.54 C ATOM 1362 H LEU B 57 -15.148 13.008 3.818 1.00 0.00 H ATOM 1363 N VAL B 58 -18.334 12.235 6.248 1.00 38.77 N ATOM 1364 CA VAL B 58 -19.201 13.045 7.095 1.00 32.69 C ATOM 1365 C VAL B 58 -19.950 12.131 8.055 1.00 42.34 C ATOM 1366 O VAL B 58 -20.076 10.925 7.833 1.00 42.71 O ATOM 1367 CB VAL B 58 -20.208 13.888 6.277 1.00 42.18 C ATOM 1368 CG1 VAL B 58 -19.486 14.857 5.342 1.00 29.01 C ATOM 1369 CG2 VAL B 58 -21.147 12.979 5.498 1.00 36.36 C ATOM 1370 H VAL B 58 -18.719 11.363 5.831 1.00 0.00 H ATOM 1371 N ASN B 59 -20.451 12.725 9.135 1.00 39.52 N ATOM 1372 CA ASN B 59 -21.246 11.971 10.092 1.00 47.70 C ATOM 1373 C ASN B 59 -22.600 11.620 9.488 1.00 56.31 C ATOM 1374 O ASN B 59 -23.222 12.436 8.802 1.00 58.24 O ATOM 1375 CB ASN B 59 -21.429 12.773 11.381 1.00 59.33 C ATOM 1376 CG ASN B 59 -22.478 12.172 12.298 1.00 73.75 C ATOM 1377 OD1 ASN B 59 -23.610 12.653 12.367 1.00 77.82 O ATOM 1378 ND2 ASN B 59 -22.107 11.107 13.002 1.00 76.12 N ATOM 1379 HD22 ASN B 59 -21.140 10.735 12.912 1.00 0.00 H ATOM 1380 HD21 ASN B 59 -22.784 10.646 13.643 1.00 0.00 H ATOM 1381 H ASN B 59 -20.273 13.737 9.296 1.00 0.00 H ATOM 1382 N ASP B 60 -23.045 10.388 9.728 1.00 56.67 N ATOM 1383 CA ASP B 60 -24.367 9.970 9.281 1.00 68.03 C ATOM 1384 C ASP B 60 -25.427 10.823 9.965 1.00 76.39 C ATOM 1385 O ASP B 60 -25.499 10.868 11.195 1.00 80.34 O ATOM 1386 CB ASP B 60 -24.587 8.491 9.583 1.00 75.87 C ATOM 1387 CG ASP B 60 -25.603 7.854 8.658 1.00 88.37 C ATOM 1388 OD1 ASP B 60 -26.239 8.593 7.874 1.00 87.95 O ATOM 1389 OD2 ASP B 60 -25.759 6.616 8.704 1.00 93.39 O ATOM 1390 H ASP B 60 -22.441 9.715 10.241 1.00 0.00 H ATOM 1391 N ASP B 61 -26.248 11.504 9.169 1.00 79.35 N ATOM 1392 CA ASP B 61 -27.071 12.578 9.703 1.00 79.96 C ATOM 1393 C ASP B 61 -28.431 12.603 9.018 1.00 81.02 C ATOM 1394 O ASP B 61 -28.548 12.282 7.832 1.00 73.01 O ATOM 1395 CB ASP B 61 -26.366 13.928 9.526 1.00 76.79 C ATOM 1396 CG ASP B 61 -27.006 15.035 10.338 1.00 88.34 C ATOM 1397 OD1 ASP B 61 -28.244 15.190 10.284 1.00 95.81 O ATOM 1398 OD2 ASP B 61 -26.263 15.754 11.038 1.00 91.09 O ATOM 1399 H ASP B 61 -26.302 11.267 8.158 1.00 0.00 H ATOM 1400 N GLN B 62 -29.452 13.004 9.783 1.00 81.55 N ATOM 1401 CA GLN B 62 -30.772 13.241 9.206 1.00 81.14 C ATOM 1402 C GLN B 62 -30.726 14.343 8.152 1.00 80.00 C ATOM 1403 O GLN B 62 -31.388 14.243 7.111 1.00 85.08 O ATOM 1404 CB GLN B 62 -31.772 13.583 10.316 1.00 86.06 C ATOM 1405 CG GLN B 62 -31.544 14.949 10.961 1.00 93.34 C ATOM 1406 CD GLN B 62 -32.810 15.579 11.509 1.00109.01 C ATOM 1407 OE1 GLN B 62 -33.733 14.887 11.940 1.00115.91 O ATOM 1408 NE2 GLN B 62 -32.862 16.907 11.484 1.00104.81 N ATOM 1409 HE22 GLN B 62 -32.059 17.452 11.111 1.00 0.00 H ATOM 1410 HE21 GLN B 62 -33.706 17.401 11.838 1.00 0.00 H ATOM 1411 H GLN B 62 -29.304 13.149 10.802 1.00 0.00 H ATOM 1412 N ARG B 63 -29.932 15.392 8.392 1.00 74.68 N ATOM 1413 CA ARG B 63 -29.831 16.501 7.453 1.00 79.53 C ATOM 1414 C ARG B 63 -29.115 16.114 6.167 1.00 79.14 C ATOM 1415 O ARG B 63 -29.212 16.849 5.180 1.00 82.52 O ATOM 1416 CB ARG B 63 -29.100 17.682 8.099 1.00 85.08 C ATOM 1417 CG ARG B 63 -29.583 18.065 9.494 1.00 98.11 C ATOM 1418 CD ARG B 63 -28.406 18.293 10.437 1.00101.10 C ATOM 1419 NE ARG B 63 -27.584 19.428 10.023 1.00102.82 N ATOM 1420 CZ ARG B 63 -26.340 19.644 10.440 1.00104.17 C ATOM 1421 NH1 ARG B 63 -25.670 20.703 10.007 1.00103.84 N ATOM 1422 NH2 ARG B 63 -25.762 18.799 11.284 1.00103.97 N ATOM 1423 HE ARG B 63 -27.999 20.112 9.359 1.00 0.00 H ATOM 1424 HH12 ARG B 63 -24.697 20.872 10.333 1.00 0.00 H ATOM 1425 HH11 ARG B 63 -26.117 21.365 9.341 1.00 0.00 H ATOM 1426 HH22 ARG B 63 -24.789 18.972 11.608 1.00 0.00 H ATOM 1427 HH21 ARG B 63 -26.282 17.964 11.622 1.00 0.00 H ATOM 1428 H ARG B 63 -29.374 15.417 9.269 1.00 0.00 H ATOM 1429 N LEU B 64 -28.415 14.977 6.158 1.00 69.08 N ATOM 1430 CA LEU B 64 -27.571 14.617 5.023 1.00 65.48 C ATOM 1431 C LEU B 64 -28.394 14.405 3.757 1.00 61.87 C ATOM 1432 O LEU B 64 -27.949 14.757 2.658 1.00 58.56 O ATOM 1433 CB LEU B 64 -26.765 13.363 5.365 1.00 63.46 C ATOM 1434 CG LEU B 64 -25.463 13.116 4.611 1.00 61.09 C ATOM 1435 CD1 LEU B 64 -24.560 14.325 4.759 1.00 48.86 C ATOM 1436 CD2 LEU B 64 -24.774 11.866 5.139 1.00 66.56 C ATOM 1437 H LEU B 64 -28.472 14.336 6.975 1.00 0.00 H ATOM 1438 N GLU B 65 -29.595 13.836 3.890 1.00 67.49 N ATOM 1439 CA GLU B 65 -30.428 13.571 2.720 1.00 65.72 C ATOM 1440 C GLU B 65 -30.835 14.864 2.026 1.00 65.71 C ATOM 1441 O GLU B 65 -30.871 14.931 0.791 1.00 69.82 O ATOM 1442 CB GLU B 65 -31.659 12.766 3.132 1.00 72.71 C ATOM 1443 CG GLU B 65 -32.572 12.382 1.983 1.00 81.81 C ATOM 1444 CD GLU B 65 -33.980 12.061 2.447 1.00101.09 C ATOM 1445 OE1 GLU B 65 -34.736 13.005 2.761 1.00107.83 O ATOM 1446 OE2 GLU B 65 -34.330 10.863 2.501 1.00105.26 O ATOM 1447 H GLU B 65 -29.941 13.579 4.837 1.00 0.00 H ATOM 1448 N GLN B 66 -31.148 15.904 2.803 1.00 68.23 N ATOM 1449 CA GLN B 66 -31.458 17.204 2.216 1.00 73.49 C ATOM 1450 C GLN B 66 -30.229 17.816 1.554 1.00 68.01 C ATOM 1451 O GLN B 66 -30.329 18.427 0.485 1.00 69.13 O ATOM 1452 CB GLN B 66 -32.010 18.146 3.288 1.00 79.25 C ATOM 1453 CG GLN B 66 -32.201 19.583 2.815 1.00 88.14 C ATOM 1454 CD GLN B 66 -31.481 20.595 3.691 1.00100.81 C ATOM 1455 OE1 GLN B 66 -30.258 20.547 3.843 1.00106.12 O ATOM 1456 NE2 GLN B 66 -32.237 21.523 4.265 1.00 97.67 N ATOM 1457 HE22 GLN B 66 -33.265 21.526 4.109 1.00 0.00 H ATOM 1458 HE21 GLN B 66 -31.801 22.247 4.871 1.00 0.00 H ATOM 1459 H GLN B 66 -31.171 15.787 3.836 1.00 0.00 H ATOM 1460 N MET B 67 -29.058 17.659 2.177 1.00 57.38 N ATOM 1461 CA MET B 67 -27.851 18.289 1.653 1.00 60.56 C ATOM 1462 C MET B 67 -27.340 17.592 0.398 1.00 59.66 C ATOM 1463 O MET B 67 -26.774 18.251 -0.481 1.00 55.49 O ATOM 1464 CB MET B 67 -26.769 18.323 2.730 1.00 67.86 C ATOM 1465 CG MET B 67 -27.236 18.957 4.026 1.00 73.66 C ATOM 1466 SD MET B 67 -25.864 19.578 4.998 1.00 74.50 S ATOM 1467 CE MET B 67 -24.983 20.485 3.729 1.00 63.91 C ATOM 1468 H MET B 67 -29.006 17.084 3.042 1.00 0.00 H ATOM 1469 N ILE B 68 -27.519 16.273 0.295 1.00 62.74 N ATOM 1470 CA ILE B 68 -27.235 15.588 -0.964 1.00 61.68 C ATOM 1471 C ILE B 68 -28.058 16.206 -2.087 1.00 58.86 C ATOM 1472 O ILE B 68 -27.575 16.385 -3.212 1.00 61.19 O ATOM 1473 CB ILE B 68 -27.505 14.076 -0.824 1.00 60.27 C ATOM 1474 CG1 ILE B 68 -26.462 13.424 0.084 1.00 48.68 C ATOM 1475 CG2 ILE B 68 -27.518 13.401 -2.186 1.00 56.77 C ATOM 1476 CD1 ILE B 68 -26.867 12.049 0.580 1.00 47.63 C ATOM 1477 H ILE B 68 -27.862 15.731 1.114 1.00 0.00 H ATOM 1478 N SER B 69 -29.309 16.566 -1.788 1.00 53.25 N ATOM 1479 CA SER B 69 -30.160 17.205 -2.784 1.00 62.41 C ATOM 1480 C SER B 69 -29.605 18.562 -3.199 1.00 55.35 C ATOM 1481 O SER B 69 -29.589 18.895 -4.389 1.00 54.65 O ATOM 1482 CB SER B 69 -31.582 17.347 -2.240 1.00 71.71 C ATOM 1483 OG SER B 69 -32.273 16.112 -2.301 1.00 83.95 O ATOM 1484 HG SER B 69 -33.189 16.230 -1.944 1.00 0.00 H ATOM 1485 H SER B 69 -29.680 16.388 -0.833 1.00 0.00 H ATOM 1486 N GLN B 70 -29.146 19.364 -2.232 1.00 55.07 N ATOM 1487 CA GLN B 70 -28.535 20.648 -2.570 1.00 57.53 C ATOM 1488 C GLN B 70 -27.276 20.451 -3.401 1.00 52.19 C ATOM 1489 O GLN B 70 -27.059 21.156 -4.393 1.00 53.73 O ATOM 1490 CB GLN B 70 -28.197 21.437 -1.305 1.00 68.05 C ATOM 1491 CG GLN B 70 -29.351 21.696 -0.361 1.00 79.46 C ATOM 1492 CD GLN B 70 -28.894 22.426 0.888 1.00 91.01 C ATOM 1493 OE1 GLN B 70 -28.358 23.532 0.811 1.00 89.82 O ATOM 1494 NE2 GLN B 70 -29.082 21.800 2.044 1.00 98.12 N ATOM 1495 HE22 GLN B 70 -29.540 20.866 2.061 1.00 0.00 H ATOM 1496 HE21 GLN B 70 -28.772 22.244 2.932 1.00 0.00 H ATOM 1497 H GLN B 70 -29.224 19.073 -1.237 1.00 0.00 H ATOM 1498 N ILE B 71 -26.426 19.505 -2.996 1.00 43.75 N ATOM 1499 CA ILE B 71 -25.206 19.216 -3.743 1.00 43.88 C ATOM 1500 C ILE B 71 -25.542 18.825 -5.175 1.00 50.96 C ATOM 1501 O ILE B 71 -24.858 19.228 -6.123 1.00 46.51 O ATOM 1502 CB ILE B 71 -24.405 18.110 -3.030 1.00 39.87 C ATOM 1503 CG1 ILE B 71 -23.877 18.603 -1.680 1.00 42.62 C ATOM 1504 CG2 ILE B 71 -23.256 17.644 -3.896 1.00 36.22 C ATOM 1505 CD1 ILE B 71 -23.321 17.494 -0.809 1.00 37.81 C ATOM 1506 H ILE B 71 -26.637 18.964 -2.133 1.00 0.00 H ATOM 1507 N ASP B 72 -26.617 18.052 -5.354 1.00 55.86 N ATOM 1508 CA ASP B 72 -26.974 17.566 -6.683 1.00 65.53 C ATOM 1509 C ASP B 72 -27.351 18.715 -7.612 1.00 64.49 C ATOM 1510 O ASP B 72 -27.019 18.694 -8.803 1.00 67.73 O ATOM 1511 CB ASP B 72 -28.118 16.557 -6.577 1.00 74.44 C ATOM 1512 CG ASP B 72 -28.171 15.603 -7.755 1.00 88.87 C ATOM 1513 OD1 ASP B 72 -28.604 14.446 -7.563 1.00 98.92 O ATOM 1514 OD2 ASP B 72 -27.785 16.001 -8.874 1.00 95.41 O ATOM 1515 H ASP B 72 -27.206 17.794 -4.537 1.00 0.00 H ATOM 1516 N LYS B 73 -28.033 19.729 -7.087 1.00 54.32 N ATOM 1517 CA LYS B 73 -28.440 20.882 -7.880 1.00 53.99 C ATOM 1518 C LYS B 73 -27.306 21.864 -8.134 1.00 45.69 C ATOM 1519 O LYS B 73 -27.516 22.855 -8.842 1.00 60.18 O ATOM 1520 CB LYS B 73 -29.602 21.606 -7.190 1.00 55.70 C ATOM 1521 H LYS B 73 -28.284 19.698 -6.078 1.00 0.00 H ATOM 1522 N LEU B 74 -26.119 21.618 -7.586 1.00 41.62 N ATOM 1523 CA LEU B 74 -25.027 22.572 -7.695 1.00 50.12 C ATOM 1524 C LEU B 74 -24.559 22.709 -9.140 1.00 73.30 C ATOM 1525 O LEU B 74 -24.844 21.875 -10.005 1.00 79.07 O ATOM 1526 CB LEU B 74 -23.847 22.144 -6.823 1.00 44.42 C ATOM 1527 CG LEU B 74 -23.661 22.850 -5.482 1.00 50.51 C ATOM 1528 CD1 LEU B 74 -22.432 22.298 -4.779 1.00 31.16 C ATOM 1529 CD2 LEU B 74 -23.552 24.356 -5.681 1.00 48.25 C ATOM 1530 H LEU B 74 -25.969 20.727 -7.070 1.00 0.00 H ATOM 1531 N GLU B 75 -23.824 23.787 -9.393 1.00 86.50 N ATOM 1532 CA GLU B 75 -23.160 23.962 -10.673 1.00 90.02 C ATOM 1533 C GLU B 75 -21.878 23.139 -10.685 1.00 76.38 C ATOM 1534 O GLU B 75 -21.128 23.132 -9.704 1.00 79.83 O ATOM 1535 CB GLU B 75 -22.854 25.439 -10.922 1.00 95.00 C ATOM 1536 H GLU B 75 -23.722 24.519 -8.661 1.00 0.00 H ATOM 1537 N ASP B 76 -21.650 22.430 -11.788 1.00 63.73 N ATOM 1538 CA ASP B 76 -20.491 21.591 -12.090 1.00 62.05 C ATOM 1539 C ASP B 76 -20.540 20.232 -11.397 1.00 47.72 C ATOM 1540 O ASP B 76 -19.574 19.480 -11.507 1.00 45.19 O ATOM 1541 CB ASP B 76 -19.150 22.258 -11.742 1.00 60.33 C ATOM 1542 CG ASP B 76 -18.974 23.601 -12.416 1.00 63.85 C ATOM 1543 OD1 ASP B 76 -18.570 23.631 -13.599 1.00 53.43 O ATOM 1544 OD2 ASP B 76 -19.233 24.634 -11.757 1.00 63.12 O ATOM 1545 H ASP B 76 -22.384 22.478 -12.523 1.00 0.00 H ATOM 1546 N VAL B 77 -21.617 19.888 -10.698 1.00 36.36 N ATOM 1547 CA VAL B 77 -21.759 18.580 -10.064 1.00 34.99 C ATOM 1548 C VAL B 77 -22.632 17.710 -10.959 1.00 42.59 C ATOM 1549 O VAL B 77 -23.769 18.077 -11.278 1.00 50.30 O ATOM 1550 CB VAL B 77 -22.354 18.699 -8.652 1.00 43.28 C ATOM 1551 CG1 VAL B 77 -22.713 17.327 -8.113 1.00 42.50 C ATOM 1552 CG2 VAL B 77 -21.370 19.400 -7.719 1.00 37.41 C ATOM 1553 H VAL B 77 -22.389 20.578 -10.599 1.00 0.00 H ATOM 1554 N VAL B 78 -22.114 16.551 -11.365 1.00 38.41 N ATOM 1555 CA VAL B 78 -22.826 15.720 -12.330 1.00 47.00 C ATOM 1556 C VAL B 78 -23.448 14.517 -11.630 1.00 48.73 C ATOM 1557 O VAL B 78 -24.474 13.990 -12.076 1.00 57.52 O ATOM 1558 CB VAL B 78 -21.902 15.289 -13.488 1.00 57.68 C ATOM 1559 CG1 VAL B 78 -21.045 16.467 -13.940 1.00 61.01 C ATOM 1560 CG2 VAL B 78 -21.044 14.095 -13.111 1.00 62.16 C ATOM 1561 H VAL B 78 -21.196 16.237 -10.991 1.00 0.00 H ATOM 1562 N LYS B 79 -22.852 14.085 -10.521 1.00 45.86 N ATOM 1563 CA LYS B 79 -23.369 12.936 -9.794 1.00 49.11 C ATOM 1564 C LYS B 79 -22.894 13.006 -8.349 1.00 47.34 C ATOM 1565 O LYS B 79 -21.747 13.375 -8.084 1.00 36.90 O ATOM 1566 CB LYS B 79 -22.920 11.617 -10.436 1.00 46.83 C ATOM 1567 H LYS B 79 -22.005 14.576 -10.169 1.00 0.00 H ATOM 1568 N VAL B 80 -23.785 12.656 -7.424 1.00 42.85 N ATOM 1569 CA VAL B 80 -23.457 12.580 -6.005 1.00 46.84 C ATOM 1570 C VAL B 80 -24.018 11.268 -5.471 1.00 48.68 C ATOM 1571 O VAL B 80 -25.208 10.982 -5.638 1.00 42.21 O ATOM 1572 CB VAL B 80 -23.999 13.783 -5.208 1.00 42.85 C ATOM 1573 CG1 VAL B 80 -25.490 13.987 -5.449 1.00 48.59 C ATOM 1574 CG2 VAL B 80 -23.713 13.605 -3.727 1.00 45.39 C ATOM 1575 H VAL B 80 -24.754 12.428 -7.725 1.00 0.00 H ATOM 1576 N GLN B 81 -23.159 10.460 -4.855 1.00 58.03 N ATOM 1577 CA GLN B 81 -23.536 9.137 -4.380 1.00 62.37 C ATOM 1578 C GLN B 81 -23.282 9.009 -2.888 1.00 57.73 C ATOM 1579 O GLN B 81 -22.288 9.523 -2.366 1.00 54.15 O ATOM 1580 CB GLN B 81 -22.772 8.036 -5.116 1.00 64.31 C ATOM 1581 CG GLN B 81 -23.085 7.930 -6.592 1.00 73.11 C ATOM 1582 CD GLN B 81 -22.426 6.724 -7.225 1.00 80.45 C ATOM 1583 OE1 GLN B 81 -23.096 5.859 -7.788 1.00 91.34 O ATOM 1584 NE2 GLN B 81 -21.103 6.655 -7.127 1.00 78.82 N ATOM 1585 HE22 GLN B 81 -20.577 7.410 -6.642 1.00 0.00 H ATOM 1586 HE21 GLN B 81 -20.593 5.846 -7.535 1.00 0.00 H ATOM 1587 H GLN B 81 -22.182 10.786 -4.708 1.00 0.00 H ATOM 1588 N ARG B 82 -24.183 8.303 -2.215 1.00 63.11 N ATOM 1589 CA ARG B 82 -24.058 7.993 -0.801 1.00 57.63 C ATOM 1590 C ARG B 82 -23.713 6.519 -0.638 1.00 54.80 C ATOM 1591 O ARG B 82 -24.431 5.649 -1.145 1.00 63.38 O ATOM 1592 CB ARG B 82 -25.358 8.317 -0.063 1.00 69.27 C ATOM 1593 CG ARG B 82 -25.359 7.974 1.419 1.00 73.34 C ATOM 1594 CD ARG B 82 -26.753 8.169 1.998 1.00 79.01 C ATOM 1595 NE ARG B 82 -26.953 7.445 3.251 1.00 91.83 N ATOM 1596 CZ ARG B 82 -26.947 8.016 4.451 1.00100.40 C ATOM 1597 NH1 ARG B 82 -26.755 9.323 4.560 1.00100.04 N ATOM 1598 NH2 ARG B 82 -27.140 7.285 5.540 1.00105.05 N ATOM 1599 HE ARG B 82 -27.110 6.418 3.201 1.00 0.00 H ATOM 1600 HH12 ARG B 82 -26.750 9.771 5.498 1.00 0.00 H ATOM 1601 HH11 ARG B 82 -26.609 9.900 3.707 1.00 0.00 H ATOM 1602 HH22 ARG B 82 -27.134 7.736 6.477 1.00 0.00 H ATOM 1603 HH21 ARG B 82 -27.297 6.260 5.457 1.00 0.00 H ATOM 1604 H ARG B 82 -25.020 7.955 -2.725 1.00 0.00 H ATOM 1605 N ASN B 83 -22.597 6.247 0.041 1.00 52.68 N ATOM 1606 CA ASN B 83 -22.272 4.908 0.536 1.00 64.89 C ATOM 1607 C ASN B 83 -22.098 3.889 -0.590 1.00 60.51 C ATOM 1608 O ASN B 83 -22.468 2.720 -0.453 1.00 62.16 O ATOM 1609 CB ASN B 83 -23.330 4.424 1.532 1.00 81.88 C ATOM 1610 CG ASN B 83 -22.998 4.802 2.960 1.00 89.18 C ATOM 1611 OD1 ASN B 83 -22.158 5.669 3.207 1.00 98.25 O ATOM 1612 ND2 ASN B 83 -23.652 4.146 3.912 1.00 82.90 N ATOM 1613 HD22 ASN B 83 -24.353 3.422 3.657 1.00 0.00 H ATOM 1614 HD21 ASN B 83 -23.463 4.357 4.913 1.00 0.00 H ATOM 1615 H ASN B 83 -21.928 7.021 0.227 1.00 0.00 H ATOM 1616 N GLN B 84 -21.525 4.322 -1.711 1.00 66.74 N ATOM 1617 CA GLN B 84 -21.150 3.401 -2.776 1.00 79.88 C ATOM 1618 C GLN B 84 -19.640 3.355 -2.982 1.00 74.69 C ATOM 1619 O GLN B 84 -19.171 2.957 -4.053 1.00 82.90 O ATOM 1620 CB GLN B 84 -21.870 3.758 -4.078 1.00 87.58 C ATOM 1621 CG GLN B 84 -23.326 3.305 -4.099 1.00 97.08 C ATOM 1622 CD GLN B 84 -24.005 3.542 -5.434 1.00107.42 C ATOM 1623 OE1 GLN B 84 -24.873 4.406 -5.557 1.00108.12 O ATOM 1624 NE2 GLN B 84 -23.624 2.761 -6.439 1.00112.55 N ATOM 1625 HE22 GLN B 84 -22.886 2.044 -6.289 1.00 0.00 H ATOM 1626 HE21 GLN B 84 -24.064 2.867 -7.376 1.00 0.00 H ATOM 1627 H GLN B 84 -21.341 5.339 -1.829 1.00 0.00 H ATOM 1628 N SER B 85 -18.872 3.746 -1.965 1.00 61.41 N ATOM 1629 CA SER B 85 -17.417 3.747 -2.041 1.00 62.01 C ATOM 1630 C SER B 85 -16.815 2.827 -0.985 1.00 66.89 C ATOM 1631 O SER B 85 -17.458 1.870 -0.543 1.00 65.67 O ATOM 1632 CB SER B 85 -16.876 5.170 -1.872 1.00 58.29 C ATOM 1633 OG SER B 85 -17.726 6.116 -2.499 1.00 57.16 O ATOM 1634 HG SER B 85 -17.788 5.913 -3.466 1.00 0.00 H ATOM 1635 H SER B 85 -19.328 4.062 -1.085 1.00 0.00 H ATOM 1636 N ASP B 86 -15.581 3.118 -0.572 1.00 72.97 N ATOM 1637 CA ASP B 86 -14.872 2.295 0.399 1.00 72.29 C ATOM 1638 C ASP B 86 -15.109 2.857 1.793 1.00 62.86 C ATOM 1639 O ASP B 86 -14.590 3.942 2.107 1.00 68.30 O ATOM 1640 CB ASP B 86 -13.385 2.264 0.072 1.00 70.97 C ATOM 1641 CG ASP B 86 -12.594 1.360 0.994 1.00 73.57 C ATOM 1642 OD1 ASP B 86 -13.196 0.665 1.841 1.00 79.50 O ATOM 1643 OD2 ASP B 86 -11.353 1.344 0.858 1.00 72.23 O ATOM 1644 H ASP B 86 -15.109 3.961 -0.956 1.00 0.00 H ATOM 1645 N PRO B 87 -15.861 2.175 2.660 1.00 60.12 N ATOM 1646 CA PRO B 87 -16.220 2.772 3.959 1.00 59.32 C ATOM 1647 C PRO B 87 -15.027 3.120 4.837 1.00 62.08 C ATOM 1648 O PRO B 87 -15.112 4.067 5.628 1.00 49.70 O ATOM 1649 CB PRO B 87 -17.101 1.699 4.618 1.00 59.48 C ATOM 1650 CG PRO B 87 -16.945 0.462 3.786 1.00 70.59 C ATOM 1651 CD PRO B 87 -16.557 0.900 2.415 1.00 69.41 C ATOM 1652 N THR B 88 -13.919 2.385 4.729 1.00 69.52 N ATOM 1653 CA THR B 88 -12.738 2.633 5.547 1.00 57.73 C ATOM 1654 C THR B 88 -11.617 3.310 4.765 1.00 53.87 C ATOM 1655 O THR B 88 -10.459 3.264 5.190 1.00 52.58 O ATOM 1656 CB THR B 88 -12.229 1.323 6.149 1.00 57.81 C ATOM 1657 OG1 THR B 88 -12.302 0.285 5.163 1.00 54.24 O ATOM 1658 CG2 THR B 88 -13.064 0.925 7.357 1.00 54.21 C ATOM 1659 HG1 THR B 88 -11.972 -0.563 5.553 1.00 0.00 H ATOM 1660 H THR B 88 -13.897 1.608 4.038 1.00 0.00 H ATOM 1661 N MET B 89 -11.940 3.951 3.638 1.00 46.32 N ATOM 1662 CA MET B 89 -10.901 4.441 2.739 1.00 46.37 C ATOM 1663 C MET B 89 -9.986 5.457 3.414 1.00 45.60 C ATOM 1664 O MET B 89 -8.787 5.498 3.116 1.00 50.58 O ATOM 1665 CB MET B 89 -11.535 5.036 1.478 1.00 36.32 C ATOM 1666 CG MET B 89 -12.312 6.321 1.699 1.00 34.12 C ATOM 1667 SD MET B 89 -12.998 6.956 0.158 1.00 34.45 S ATOM 1668 CE MET B 89 -11.650 7.976 -0.424 1.00 35.74 C ATOM 1669 H MET B 89 -12.941 4.102 3.400 1.00 0.00 H ATOM 1670 N PHE B 90 -10.515 6.267 4.331 1.00 38.61 N ATOM 1671 CA PHE B 90 -9.676 7.267 4.977 1.00 35.09 C ATOM 1672 C PHE B 90 -8.830 6.667 6.091 1.00 47.77 C ATOM 1673 O PHE B 90 -7.744 7.180 6.378 1.00 46.67 O ATOM 1674 CB PHE B 90 -10.533 8.417 5.504 1.00 33.15 C ATOM 1675 CG PHE B 90 -11.067 9.311 4.417 1.00 31.32 C ATOM 1676 CD1 PHE B 90 -10.240 10.234 3.795 1.00 32.04 C ATOM 1677 CD2 PHE B 90 -12.386 9.215 4.001 1.00 32.12 C ATOM 1678 CE1 PHE B 90 -10.719 11.054 2.787 1.00 26.28 C ATOM 1679 CE2 PHE B 90 -12.874 10.038 2.995 1.00 35.83 C ATOM 1680 CZ PHE B 90 -12.038 10.957 2.388 1.00 25.73 C ATOM 1681 H PHE B 90 -11.521 6.185 4.584 1.00 0.00 H ATOM 1682 N ASN B 91 -9.302 5.590 6.723 1.00 41.26 N ATOM 1683 CA ASN B 91 -8.451 4.859 7.653 1.00 46.77 C ATOM 1684 C ASN B 91 -7.240 4.283 6.933 1.00 46.48 C ATOM 1685 O ASN B 91 -6.126 4.275 7.474 1.00 51.30 O ATOM 1686 CB ASN B 91 -9.243 3.741 8.334 1.00 52.11 C ATOM 1687 CG ASN B 91 -10.460 4.255 9.077 1.00 56.54 C ATOM 1688 OD1 ASN B 91 -11.510 4.488 8.478 1.00 70.01 O ATOM 1689 ND2 ASN B 91 -10.329 4.423 10.388 1.00 56.66 N ATOM 1690 HD22 ASN B 91 -9.422 4.213 10.851 1.00 0.00 H ATOM 1691 HD21 ASN B 91 -11.134 4.765 10.951 1.00 0.00 H ATOM 1692 H ASN B 91 -10.277 5.273 6.552 1.00 0.00 H ATOM 1693 N LYS B 92 -7.439 3.801 5.706 1.00 45.73 N ATOM 1694 CA LYS B 92 -6.354 3.169 4.965 1.00 55.52 C ATOM 1695 C LYS B 92 -5.336 4.200 4.496 1.00 51.60 C ATOM 1696 O LYS B 92 -4.124 3.979 4.597 1.00 49.23 O ATOM 1697 CB LYS B 92 -6.926 2.381 3.786 1.00 54.74 C ATOM 1698 CG LYS B 92 -7.841 1.244 4.213 1.00 56.81 C ATOM 1699 CD LYS B 92 -8.237 0.363 3.043 1.00 65.30 C ATOM 1700 CE LYS B 92 -9.709 -0.002 3.132 1.00 68.63 C ATOM 1701 NZ LYS B 92 -10.082 -1.082 2.179 1.00 78.19 N ATOM 1702 HZ1 LYS B 92 -9.886 -0.768 1.207 1.00 0.00 H ATOM 1703 HZ2 LYS B 92 -9.525 -1.935 2.388 1.00 0.00 H ATOM 1704 HZ3 LYS B 92 -11.095 -1.295 2.278 1.00 0.00 H ATOM 1705 H LYS B 92 -8.381 3.877 5.272 1.00 0.00 H ATOM 1706 N ILE B 93 -5.812 5.335 3.980 1.00 45.50 N ATOM 1707 CA ILE B 93 -4.906 6.426 3.637 1.00 46.13 C ATOM 1708 C ILE B 93 -4.145 6.887 4.874 1.00 48.33 C ATOM 1709 O ILE B 93 -2.954 7.214 4.807 1.00 47.33 O ATOM 1710 CB ILE B 93 -5.688 7.585 2.989 1.00 39.11 C ATOM 1711 CG1 ILE B 93 -6.424 7.108 1.735 1.00 38.07 C ATOM 1712 CG2 ILE B 93 -4.759 8.742 2.663 1.00 35.56 C ATOM 1713 CD1 ILE B 93 -7.318 8.167 1.113 1.00 33.84 C ATOM 1714 H ILE B 93 -6.834 5.442 3.822 1.00 0.00 H ATOM 1715 N ALA B 94 -4.813 6.887 6.030 1.00 44.58 N ATOM 1716 CA ALA B 94 -4.207 7.399 7.253 1.00 47.74 C ATOM 1717 C ALA B 94 -3.000 6.583 7.699 1.00 53.44 C ATOM 1718 O ALA B 94 -2.186 7.085 8.482 1.00 54.76 O ATOM 1719 CB ALA B 94 -5.249 7.446 8.372 1.00 44.53 C ATOM 1720 H ALA B 94 -5.784 6.515 6.058 1.00 0.00 H ATOM 1721 N VAL B 95 -2.854 5.343 7.224 1.00 53.88 N ATOM 1722 CA VAL B 95 -1.683 4.563 7.604 1.00 56.41 C ATOM 1723 C VAL B 95 -0.416 5.131 6.980 1.00 56.46 C ATOM 1724 O VAL B 95 0.685 4.888 7.487 1.00 60.66 O ATOM 1725 CB VAL B 95 -1.846 3.077 7.219 1.00 72.24 C ATOM 1726 CG1 VAL B 95 -3.231 2.571 7.590 1.00 57.89 C ATOM 1727 CG2 VAL B 95 -1.543 2.854 5.743 1.00 79.43 C ATOM 1728 H VAL B 95 -3.570 4.938 6.588 1.00 0.00 H ATOM 1729 N PHE B 96 -0.540 5.902 5.896 1.00 59.58 N ATOM 1730 CA PHE B 96 0.609 6.460 5.199 1.00 63.24 C ATOM 1731 C PHE B 96 0.754 7.964 5.358 1.00 57.18 C ATOM 1732 O PHE B 96 1.856 8.484 5.161 1.00 70.39 O ATOM 1733 CB PHE B 96 0.534 6.131 3.701 1.00 58.94 C ATOM 1734 CG PHE B 96 0.585 4.663 3.400 1.00 66.56 C ATOM 1735 CD1 PHE B 96 1.608 3.875 3.901 1.00 75.02 C ATOM 1736 CD2 PHE B 96 -0.391 4.069 2.618 1.00 69.22 C ATOM 1737 CE1 PHE B 96 1.658 2.522 3.624 1.00 77.22 C ATOM 1738 CE2 PHE B 96 -0.348 2.718 2.338 1.00 76.62 C ATOM 1739 CZ PHE B 96 0.678 1.943 2.841 1.00 78.40 C ATOM 1740 H PHE B 96 -1.493 6.111 5.537 1.00 0.00 H ATOM 1741 N PHE B 97 -0.320 8.671 5.695 1.00 51.75 N ATOM 1742 CA PHE B 97 -0.302 10.120 5.840 1.00 59.72 C ATOM 1743 C PHE B 97 -0.976 10.477 7.154 1.00 69.93 C ATOM 1744 O PHE B 97 -2.065 9.974 7.452 1.00 73.48 O ATOM 1745 CB PHE B 97 -1.010 10.805 4.661 1.00 42.04 C ATOM 1746 CG PHE B 97 -0.535 10.336 3.313 1.00 54.52 C ATOM 1747 CD1 PHE B 97 0.572 10.913 2.711 1.00 59.62 C ATOM 1748 CD2 PHE B 97 -1.191 9.310 2.653 1.00 56.36 C ATOM 1749 CE1 PHE B 97 1.017 10.473 1.472 1.00 65.86 C ATOM 1750 CE2 PHE B 97 -0.754 8.866 1.416 1.00 65.60 C ATOM 1751 CZ PHE B 97 0.351 9.448 0.824 1.00 64.75 C ATOM 1752 H PHE B 97 -1.214 8.166 5.863 1.00 0.00 H ATOM 1753 N GLN B 98 -0.328 11.329 7.941 1.00 73.23 N ATOM 1754 CA GLN B 98 -0.861 11.706 9.244 1.00 75.73 C ATOM 1755 C GLN B 98 -0.991 13.220 9.387 1.00 85.17 C ATOM 1756 O GLN B 98 -2.100 13.761 9.406 1.00 83.82 O ATOM 1757 CB GLN B 98 0.020 11.150 10.361 1.00 73.82 C ATOM 1758 CG GLN B 98 -0.067 9.641 10.521 1.00 79.63 C ATOM 1759 CD GLN B 98 1.076 8.918 9.837 1.00 87.80 C ATOM 1760 OE1 GLN B 98 2.174 9.458 9.704 1.00 91.58 O ATOM 1761 NE2 GLN B 98 0.824 7.689 9.398 1.00 86.33 N ATOM 1762 OXT GLN B 98 0.004 13.934 9.489 1.00 86.64 O ATOM 1763 HE22 GLN B 98 -0.119 7.272 9.532 1.00 0.00 H ATOM 1764 HE21 GLN B 98 1.570 7.144 8.920 1.00 0.00 H ATOM 1765 H GLN B 98 0.575 11.734 7.622 1.00 0.00 H TER 1766 GLN B 98 HETATM 1767 CO CO A 1 -13.622 28.148 14.478 1.00 59.08 CO HETATM 1768 O HOH 2 -7.491 28.802 16.052 1.00 64.40 O HETATM 1769 O HOH 3 -12.028 32.346 1.715 1.00 45.72 O HETATM 1770 O HOH 4 -13.423 36.819 -7.918 1.00 58.13 O HETATM 1771 O HOH 5 -14.377 38.523 -3.879 1.00 71.59 O HETATM 1772 O HOH 6 -17.750 22.454 7.030 1.00 31.21 O HETATM 1773 O HOH 7 -12.315 29.625 8.770 1.00 49.54 O HETATM 1774 O HOH 8 -3.497 24.319 -9.959 1.00 36.85 O HETATM 1775 O HOH 9 -8.282 9.309 -10.151 1.00 56.66 O HETATM 1776 O HOH 10 -9.263 16.907 15.085 1.00 39.26 O HETATM 1777 O HOH 11 -11.009 17.144 9.396 1.00 35.65 O HETATM 1778 O HOH 12 -15.913 23.789 4.908 1.00 34.63 O HETATM 1779 O HOH 13 -7.160 35.186 -3.274 1.00 44.58 O HETATM 1780 O HOH 14 -8.676 22.306 -14.358 1.00 50.06 O HETATM 1781 O HOH 15 1.521 22.383 8.126 1.00 44.31 O HETATM 1782 O HOH 16 -5.403 27.589 -12.258 1.00 48.11 O HETATM 1783 O HOH 17 -14.427 28.454 9.761 1.00 52.76 O HETATM 1784 O HOH 18 1.321 20.276 12.431 1.00 48.05 O HETATM 1785 O HOH 19 -1.820 24.351 18.720 1.00 63.57 O HETATM 1786 O HOH 20 -11.582 22.810 19.024 1.00 51.35 O HETATM 1787 O HOH 21 7.461 26.444 4.135 1.00 61.67 O HETATM 1788 O HOH 22 -3.176 25.346 20.245 1.00 80.54 O HETATM 1789 O HOH 23 -9.168 11.155 17.882 1.00 60.76 O HETATM 1790 O HOH 24 -9.426 37.365 0.081 1.00 59.96 O HETATM 1791 O HOH 25 -1.971 5.406 -0.372 1.00 65.43 O HETATM 1792 O HOH 26 -2.139 14.046 -9.729 1.00 56.89 O HETATM 1793 O HOH 27 -4.866 2.667 0.840 1.00 72.91 O HETATM 1794 O HOH 28 -21.198 20.888 -16.052 1.00 64.40 O HETATM 1795 O HOH 29 -21.998 26.590 -1.715 1.00 45.72 O HETATM 1796 O HOH 30 -25.175 30.034 7.918 1.00 58.13 O HETATM 1797 O HOH 31 -26.173 31.712 3.879 1.00 71.59 O HETATM 1798 O HOH 32 -10.571 26.599 -7.030 1.00 31.21 O HETATM 1799 O HOH 33 -19.499 25.478 -8.770 1.00 49.54 O HETATM 1800 O HOH 34 -19.312 15.188 9.959 1.00 36.85 O HETATM 1801 O HOH 35 -3.921 11.827 10.151 1.00 56.66 O HETATM 1802 O HOH 36 -10.010 16.475 -15.085 1.00 39.26 O HETATM 1803 O HOH 37 -9.343 18.106 -9.396 1.00 35.65 O HETATM 1804 O HOH 38 -12.645 25.676 -4.908 1.00 34.63 O HETATM 1805 O HOH 39 -26.892 23.794 3.274 1.00 44.58 O HETATM 1806 O HOH 40 -14.980 18.667 14.358 1.00 50.06 O HETATM 1807 O HOH 41 -20.145 9.874 -8.126 1.00 44.31 O HETATM 1808 O HOH 42 -21.191 18.474 12.258 1.00 48.11 O HETATM 1809 O HOH 43 -17.428 26.721 -9.761 1.00 52.76 O HETATM 1810 O HOH 44 -18.220 8.994 -12.431 1.00 48.05 O HETATM 1811 O HOH 45 -20.179 13.752 -18.720 1.00 63.57 O HETATM 1812 O HOH 46 -13.963 21.435 -19.024 1.00 51.35 O HETATM 1813 O HOH 47 -26.632 6.761 -4.135 1.00 61.67 O HETATM 1814 O HOH 48 -20.362 15.423 -20.245 1.00 80.54 O HETATM 1815 O HOH 49 -5.077 13.517 -17.882 1.00 60.76 O HETATM 1816 O HOH 50 -27.646 26.846 -0.081 1.00 59.96 O HETATM 1817 O HOH 51 -3.696 4.410 0.372 1.00 65.43 O HETATM 1818 O HOH 52 -11.095 8.875 9.729 1.00 56.89 O HETATM 1819 O HOH 53 0.123 5.548 -0.840 1.00 72.91 O HETATM 1820 N ILE A 54 -13.738 19.848 9.117 1.00 0.23 N HETATM 1821 CA ILE A 54 -13.295 21.063 8.456 1.00 0.03 C HETATM 1822 C ILE A 54 -14.412 21.632 7.583 1.00 0.08 C HETATM 1823 O ILE A 54 -14.205 22.580 6.824 1.00 -0.56 O HETATM 1824 OXT ILE A 54 -15.549 21.159 7.610 1.00 -0.56 O HETATM 1825 CB ILE A 54 -12.026 20.818 7.622 1.00 0.01 C HETATM 1826 CG1 ILE A 54 -12.248 19.671 6.647 1.00 -0.05 C HETATM 1827 CD1 ILE A 54 -11.382 19.769 5.447 1.00 -0.06 C HETATM 1828 H11 ILE A 54 -11.583 18.918 4.779 1.00 0.02 H HETATM 1829 H12 ILE A 54 -10.326 19.752 5.755 1.00 0.02 H HETATM 1830 H13 ILE A 54 -11.595 20.709 4.917 1.00 0.02 H HETATM 1831 H6 ILE A 54 -13.300 19.681 6.325 1.00 0.03 H HETATM 1832 H7 ILE A 54 -12.031 18.724 7.162 1.00 0.03 H HETATM 1833 CG2 ILE A 54 -10.829 20.544 8.523 1.00 -0.06 C HETATM 1834 H8 ILE A 54 -10.691 21.387 9.216 1.00 0.02 H HETATM 1835 H9 ILE A 54 -9.926 20.425 7.907 1.00 0.02 H HETATM 1836 H10 ILE A 54 -11.005 19.622 9.097 1.00 0.02 H HETATM 1837 H5 ILE A 54 -11.815 21.728 7.041 1.00 0.04 H HETATM 1838 H4 ILE A 54 -13.054 21.805 9.232 1.00 0.10 H HETATM 1839 H1 ILE A 54 -14.569 20.041 9.654 1.00 0.20 H HETATM 1840 H2 ILE A 54 -13.011 19.515 9.731 1.00 0.20 H HETATM 1841 H3 ILE A 54 -13.941 19.144 8.425 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 130 129 132 1767 CONECT 660 659 1767 CONECT 884 885 894 895 896 CONECT 894 884 CONECT 895 884 CONECT 896 884 CONECT 1767 130 660 CONECT 1820 1821 1839 1840 1841 CONECT 1821 1820 1822 1825 1838 CONECT 1822 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1821 1826 1833 1837 CONECT 1826 1825 1827 1831 1832 CONECT 1827 1826 1828 1829 1830 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1827 CONECT 1831 1826 CONECT 1832 1826 CONECT 1833 1825 1834 1835 1836 CONECT 1834 1833 CONECT 1835 1833 CONECT 1836 1833 CONECT 1837 1825 CONECT 1838 1821 CONECT 1839 1820 CONECT 1840 1820 CONECT 1841 1820 MASTER 0 0 0 0 0 0 0 0 1839 2 33 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5yum
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ypy
RCSB PDB
PDBbind
98aa, >5YPY_1|Chains... at 100%
5ypw
RCSB PDB
PDBbind
98aa, >5YPW_1|Chains... at 100%
5ypp
RCSB PDB
PDBbind
98aa, >5YPP_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3f6g
RCSB PDB
PDBbind
ILE
3f6h
RCSB PDB
PDBbind
ILE
4xmr
RCSB PDB
PDBbind
ILE
Entry Information
PDB ID
5yum
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Acetolactate synthase isozyme 1 small subunit
Ligand Name
ILE
EC.Number
E.C.2.2.1.6
Resolution
2.43(Å)
Affinity (Kd/Ki/IC50)
Ki=223uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochemistry Vol. 58: pp. 1992-2008
Ligand Properties
Formula
C
6
H
1
4
NO
2
Molecular Weight
132.181
Exact Mass
132.102
No. of atoms
23
No. of bonds
22
Polar Surface Area
64.94
LOGP Value
-0.79 (
Computed with XLOGP3
)
-0.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)O)[NH3+])C
InChI String
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1/t4-,5-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0ADF8
Entrez Gene ID
NCBI Entrez Gene ID:
56816289
61752823
948183
ASD
Information of known allosteric effects of PDB entries
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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
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