Browse entries in the PDBbind-CN Database
HEADER 6PVZ_COMPLEX COMPND 6PVZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 188 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 188 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 188 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 188 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 188 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 188 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 188 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 188 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 188 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 188 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 188 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 188 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 188 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 188 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 188 LYS TYR LEU SER GLU LYS HET OZM A 375 33 SSBOND 1 CYS A 30 CYS A 33 ATOM 1 N ALA A 1 22.747 -18.027 -19.449 1.00 39.71 N ATOM 2 CA ALA A 1 23.732 -18.642 -18.568 1.00 34.65 C ATOM 3 C ALA A 1 23.172 -18.850 -17.163 1.00 32.77 C ATOM 4 O ALA A 1 22.291 -18.112 -16.719 1.00 32.77 O ATOM 5 CB ALA A 1 24.993 -17.796 -18.513 1.00 36.43 C ATOM 6 HN3 ALA A 1 22.469 -17.102 -19.064 1.00 0.00 H ATOM 7 HN2 ALA A 1 21.911 -18.642 -19.515 1.00 0.00 H ATOM 8 HN1 ALA A 1 23.161 -17.900 -20.395 1.00 0.00 H ATOM 9 N GLN A 2 23.692 -19.863 -16.467 1.00 30.13 N ATOM 10 CA GLN A 2 23.251 -20.128 -15.100 1.00 28.29 C ATOM 11 C GLN A 2 23.636 -18.986 -14.165 1.00 32.50 C ATOM 12 O GLN A 2 22.849 -18.590 -13.297 1.00 26.23 O ATOM 13 CB GLN A 2 23.837 -21.453 -14.610 1.00 27.35 C ATOM 14 CG GLN A 2 23.333 -22.675 -15.375 1.00 28.61 C ATOM 15 CD GLN A 2 21.937 -23.099 -14.951 1.00 28.78 C ATOM 16 OE1 GLN A 2 21.408 -22.617 -13.949 1.00 27.84 O ATOM 17 NE2 GLN A 2 21.335 -24.010 -15.711 1.00 30.19 N ATOM 18 HE22 GLN A 2 21.819 -24.390 -16.549 1.00 0.00 H ATOM 19 HE21 GLN A 2 20.380 -24.342 -15.467 1.00 0.00 H ATOM 20 H GLN A 2 24.417 -20.469 -16.902 1.00 0.00 H ATOM 21 N TYR A 3 24.844 -18.452 -14.318 1.00 26.82 N ATOM 22 CA TYR A 3 25.263 -17.245 -13.620 1.00 25.94 C ATOM 23 C TYR A 3 25.211 -16.081 -14.598 1.00 27.71 C ATOM 24 O TYR A 3 25.786 -16.157 -15.688 1.00 29.29 O ATOM 25 CB TYR A 3 26.674 -17.385 -13.050 1.00 24.83 C ATOM 26 CG TYR A 3 26.809 -18.416 -11.954 1.00 25.40 C ATOM 27 CD1 TYR A 3 26.481 -18.108 -10.638 1.00 21.71 C ATOM 28 CD2 TYR A 3 27.277 -19.696 -12.233 1.00 24.08 C ATOM 29 CE1 TYR A 3 26.607 -19.047 -9.630 1.00 20.60 C ATOM 30 CE2 TYR A 3 27.407 -20.641 -11.234 1.00 22.40 C ATOM 31 CZ TYR A 3 27.071 -20.312 -9.935 1.00 20.99 C ATOM 32 OH TYR A 3 27.201 -21.255 -8.941 1.00 20.21 O ATOM 33 HH TYR A 3 26.921 -20.862 -8.076 1.00 0.00 H ATOM 34 H TYR A 3 25.517 -18.915 -14.962 1.00 0.00 H ATOM 35 N GLU A 4 24.529 -15.008 -14.212 1.00 27.71 N ATOM 36 CA GLU A 4 24.333 -13.880 -15.107 1.00 33.76 C ATOM 37 C GLU A 4 24.621 -12.568 -14.398 1.00 29.14 C ATOM 38 O GLU A 4 24.239 -12.373 -13.240 1.00 27.53 O ATOM 39 CB GLU A 4 22.911 -13.860 -15.671 1.00 39.34 C ATOM 40 CG GLU A 4 22.779 -14.629 -16.966 1.00 46.20 C ATOM 41 CD GLU A 4 21.349 -14.748 -17.437 1.00 54.56 C ATOM 42 OE1 GLU A 4 20.456 -14.167 -16.786 1.00 58.78 O ATOM 43 OE2 GLU A 4 21.120 -15.427 -18.460 1.00 59.16 O ATOM 44 H GLU A 4 24.129 -14.975 -13.253 1.00 0.00 H ATOM 45 N ASP A 5 25.308 -11.680 -15.109 1.00 30.68 N ATOM 46 CA ASP A 5 25.441 -10.296 -14.683 1.00 35.53 C ATOM 47 C ASP A 5 24.065 -9.703 -14.423 1.00 35.75 C ATOM 48 O ASP A 5 23.187 -9.741 -15.289 1.00 38.77 O ATOM 49 CB ASP A 5 26.177 -9.502 -15.763 1.00 43.72 C ATOM 50 CG ASP A 5 26.726 -8.188 -15.254 1.00 53.48 C ATOM 51 OD1 ASP A 5 26.086 -7.568 -14.379 1.00 54.75 O ATOM 52 OD2 ASP A 5 27.804 -7.777 -15.731 1.00 59.04 O ATOM 53 H ASP A 5 25.763 -11.983 -15.994 1.00 0.00 H ATOM 54 N GLY A 6 23.875 -9.169 -13.222 1.00 30.59 N ATOM 55 CA GLY A 6 22.602 -8.643 -12.797 1.00 35.52 C ATOM 56 C GLY A 6 21.778 -9.583 -11.941 1.00 44.26 C ATOM 57 O GLY A 6 20.813 -9.135 -11.308 1.00 51.00 O ATOM 58 H GLY A 6 24.677 -9.129 -12.561 1.00 0.00 H ATOM 59 N LYS A 7 22.135 -10.866 -11.891 1.00 31.76 N ATOM 60 CA LYS A 7 21.406 -11.811 -11.055 1.00 38.18 C ATOM 61 C LYS A 7 22.185 -12.104 -9.776 1.00 36.83 C ATOM 62 O LYS A 7 21.935 -11.491 -8.730 1.00 31.60 O ATOM 63 CB LYS A 7 21.132 -13.110 -11.815 1.00 34.03 C ATOM 64 H LYS A 7 22.944 -11.197 -12.455 1.00 0.00 H ATOM 65 N GLN A 8 23.144 -13.034 -9.848 1.00 23.05 N ATOM 66 CA GLN A 8 23.935 -13.366 -8.669 1.00 23.83 C ATOM 67 C GLN A 8 25.072 -12.386 -8.429 1.00 27.16 C ATOM 68 O GLN A 8 25.633 -12.370 -7.328 1.00 21.80 O ATOM 69 CB GLN A 8 24.520 -14.776 -8.777 1.00 25.23 C ATOM 70 CG GLN A 8 23.508 -15.895 -8.944 1.00 23.98 C ATOM 71 CD GLN A 8 23.255 -16.216 -10.391 1.00 31.27 C ATOM 72 OE1 GLN A 8 23.311 -15.331 -11.242 1.00 24.81 O ATOM 73 NE2 GLN A 8 22.990 -17.488 -10.688 1.00 37.70 N ATOM 74 HE22 GLN A 8 22.953 -18.202 -9.932 1.00 0.00 H ATOM 75 HE21 GLN A 8 22.820 -17.767 -11.675 1.00 0.00 H ATOM 76 H GLN A 8 23.326 -13.522 -10.748 1.00 0.00 H ATOM 77 N TYR A 9 25.455 -11.608 -9.437 1.00 22.00 N ATOM 78 CA TYR A 9 26.542 -10.653 -9.285 1.00 29.97 C ATOM 79 C TYR A 9 26.326 -9.493 -10.245 1.00 35.58 C ATOM 80 O TYR A 9 25.512 -9.558 -11.171 1.00 30.03 O ATOM 81 CB TYR A 9 27.906 -11.310 -9.535 1.00 23.55 C ATOM 82 CG TYR A 9 28.125 -11.711 -10.977 1.00 23.54 C ATOM 83 CD1 TYR A 9 27.630 -12.913 -11.464 1.00 23.76 C ATOM 84 CD2 TYR A 9 28.818 -10.884 -11.855 1.00 27.60 C ATOM 85 CE1 TYR A 9 27.819 -13.285 -12.783 1.00 27.72 C ATOM 86 CE2 TYR A 9 29.013 -11.248 -13.179 1.00 36.25 C ATOM 87 CZ TYR A 9 28.512 -12.451 -13.636 1.00 35.91 C ATOM 88 OH TYR A 9 28.704 -12.816 -14.951 1.00 35.81 O ATOM 89 HH TYR A 9 28.285 -13.699 -15.112 1.00 0.00 H ATOM 90 H TYR A 9 24.968 -11.684 -10.353 1.00 0.00 H ATOM 91 N THR A 10 27.071 -8.422 -10.009 1.00 35.70 N ATOM 92 CA THR A 10 27.175 -7.324 -10.952 1.00 31.16 C ATOM 93 C THR A 10 28.650 -7.096 -11.251 1.00 29.41 C ATOM 94 O THR A 10 29.532 -7.598 -10.551 1.00 28.35 O ATOM 95 CB THR A 10 26.514 -6.045 -10.416 1.00 36.27 C ATOM 96 OG1 THR A 10 27.148 -5.648 -9.196 1.00 31.18 O ATOM 97 CG2 THR A 10 25.037 -6.280 -10.151 1.00 34.60 C ATOM 98 HG1 THR A 10 27.055 -6.371 -8.526 1.00 0.00 H ATOM 99 H THR A 10 27.600 -8.367 -9.115 1.00 0.00 H ATOM 100 N THR A 11 28.924 -6.347 -12.313 1.00 34.10 N ATOM 101 CA THR A 11 30.290 -6.107 -12.758 1.00 38.09 C ATOM 102 C THR A 11 30.591 -4.620 -12.660 1.00 40.43 C ATOM 103 O THR A 11 29.813 -3.793 -13.147 1.00 46.97 O ATOM 104 CB THR A 11 30.504 -6.604 -14.192 1.00 41.96 C ATOM 105 OG1 THR A 11 30.074 -7.968 -14.293 1.00 37.41 O ATOM 106 CG2 THR A 11 31.972 -6.520 -14.569 1.00 39.49 C ATOM 107 HG1 THR A 11 30.212 -8.289 -15.219 1.00 0.00 H ATOM 108 H THR A 11 28.139 -5.918 -12.843 1.00 0.00 H ATOM 109 N LEU A 12 31.713 -4.284 -12.024 1.00 40.03 N ATOM 110 CA LEU A 12 32.102 -2.890 -11.837 1.00 42.58 C ATOM 111 C LEU A 12 32.420 -2.268 -13.190 1.00 50.19 C ATOM 112 O LEU A 12 33.379 -2.674 -13.855 1.00 42.21 O ATOM 113 CB LEU A 12 33.302 -2.798 -10.899 1.00 39.82 C ATOM 114 CG LEU A 12 33.038 -3.061 -9.414 1.00 35.27 C ATOM 115 CD1 LEU A 12 34.346 -3.210 -8.652 1.00 31.12 C ATOM 116 CD2 LEU A 12 32.191 -1.948 -8.813 1.00 40.25 C ATOM 117 H LEU A 12 32.328 -5.035 -11.651 1.00 0.00 H ATOM 118 N GLU A 13 31.612 -1.286 -13.602 1.00 61.34 N ATOM 119 CA GLU A 13 31.875 -0.576 -14.848 1.00 65.75 C ATOM 120 C GLU A 13 33.220 0.136 -14.820 1.00 61.79 C ATOM 121 O GLU A 13 33.795 0.397 -15.883 1.00 66.02 O ATOM 122 CB GLU A 13 30.753 0.425 -15.135 1.00 67.64 C ATOM 123 H GLU A 13 30.786 -1.025 -13.027 1.00 0.00 H ATOM 124 N LYS A 14 33.730 0.455 -13.629 1.00 57.33 N ATOM 125 CA LYS A 14 35.085 0.968 -13.435 1.00 58.00 C ATOM 126 C LYS A 14 35.836 -0.042 -12.578 1.00 54.38 C ATOM 127 O LYS A 14 35.758 -0.003 -11.340 1.00 50.19 O ATOM 128 CB LYS A 14 35.071 2.349 -12.783 1.00 57.78 C ATOM 129 H LYS A 14 33.128 0.331 -12.790 1.00 0.00 H ATOM 130 N PRO A 15 36.562 -0.974 -13.192 1.00 53.83 N ATOM 131 CA PRO A 15 37.256 -2.006 -12.414 1.00 50.31 C ATOM 132 C PRO A 15 38.360 -1.412 -11.553 1.00 51.77 C ATOM 133 O PRO A 15 38.904 -0.343 -11.835 1.00 56.57 O ATOM 134 CB PRO A 15 37.831 -2.938 -13.488 1.00 54.27 C ATOM 135 CG PRO A 15 37.034 -2.637 -14.731 1.00 54.04 C ATOM 136 CD PRO A 15 36.700 -1.184 -14.641 1.00 55.71 C ATOM 137 N VAL A 16 38.696 -2.139 -10.489 1.00 51.79 N ATOM 138 CA VAL A 16 39.652 -1.685 -9.482 1.00 51.70 C ATOM 139 C VAL A 16 40.894 -2.565 -9.573 1.00 50.61 C ATOM 140 O VAL A 16 40.873 -3.733 -9.169 1.00 45.83 O ATOM 141 CB VAL A 16 39.050 -1.721 -8.070 1.00 46.94 C ATOM 142 CG1 VAL A 16 40.107 -1.366 -7.037 1.00 41.01 C ATOM 143 CG2 VAL A 16 37.865 -0.769 -7.975 1.00 50.16 C ATOM 144 H VAL A 16 38.257 -3.074 -10.369 1.00 0.00 H ATOM 145 N ALA A 17 41.984 -2.000 -10.083 1.00 55.62 N ATOM 146 CA ALA A 17 43.213 -2.756 -10.258 1.00 53.64 C ATOM 147 C ALA A 17 43.882 -3.042 -8.920 1.00 48.94 C ATOM 148 O ALA A 17 43.922 -2.193 -8.024 1.00 47.67 O ATOM 149 CB ALA A 17 44.168 -1.988 -11.173 1.00 53.99 C ATOM 150 H ALA A 17 41.957 -0.998 -10.362 1.00 0.00 H ATOM 151 N GLY A 18 44.400 -4.259 -8.791 1.00 46.44 N ATOM 152 CA GLY A 18 45.234 -4.627 -7.655 1.00 43.58 C ATOM 153 C GLY A 18 44.509 -4.658 -6.328 1.00 53.27 C ATOM 154 O GLY A 18 45.007 -4.109 -5.339 1.00 62.74 O ATOM 155 H GLY A 18 44.204 -4.971 -9.524 1.00 0.00 H ATOM 156 N ALA A 19 43.344 -5.274 -6.280 1.00 49.97 N ATOM 157 CA ALA A 19 42.563 -5.343 -5.054 1.00 47.36 C ATOM 158 C ALA A 19 42.674 -6.723 -4.447 1.00 40.83 C ATOM 159 O ALA A 19 43.193 -7.651 -5.078 1.00 44.73 O ATOM 160 CB ALA A 19 41.112 -4.967 -5.346 1.00 45.41 C ATOM 161 H ALA A 19 42.973 -5.723 -7.142 1.00 0.00 H ATOM 162 N PRO A 20 42.222 -6.876 -3.206 1.00 44.43 N ATOM 163 CA PRO A 20 42.277 -8.192 -2.577 1.00 42.72 C ATOM 164 C PRO A 20 41.410 -9.169 -3.358 1.00 44.13 C ATOM 165 O PRO A 20 40.418 -8.786 -3.983 1.00 55.45 O ATOM 166 CB PRO A 20 41.753 -7.931 -1.154 1.00 39.71 C ATOM 167 CG PRO A 20 41.852 -6.462 -0.949 1.00 46.03 C ATOM 168 CD PRO A 20 41.702 -5.836 -2.285 1.00 42.83 C ATOM 169 N GLN A 21 41.868 -10.420 -3.392 1.00 34.13 N ATOM 170 CA GLN A 21 41.153 -11.500 -4.066 1.00 32.80 C ATOM 171 C GLN A 21 39.689 -11.562 -3.628 1.00 35.27 C ATOM 172 O GLN A 21 38.773 -11.482 -4.455 1.00 33.90 O ATOM 173 CB GLN A 21 41.872 -12.829 -3.789 1.00 36.18 C ATOM 174 H GLN A 21 42.769 -10.635 -2.920 1.00 0.00 H ATOM 175 N VAL A 22 39.447 -11.708 -2.330 1.00 29.95 N ATOM 176 CA VAL A 22 38.101 -11.634 -1.770 1.00 20.99 C ATOM 177 C VAL A 22 38.075 -10.489 -0.767 1.00 18.58 C ATOM 178 O VAL A 22 38.813 -10.506 0.228 1.00 18.95 O ATOM 179 CB VAL A 22 37.666 -12.954 -1.111 1.00 27.52 C ATOM 180 CG1 VAL A 22 36.385 -12.740 -0.292 1.00 21.65 C ATOM 181 CG2 VAL A 22 37.436 -14.030 -2.170 1.00 36.34 C ATOM 182 H VAL A 22 40.247 -11.882 -1.688 1.00 0.00 H ATOM 183 N LEU A 23 37.217 -9.506 -1.016 1.00 15.37 N ATOM 184 CA LEU A 23 37.167 -8.286 -0.218 1.00 15.40 C ATOM 185 C LEU A 23 35.744 -8.055 0.264 1.00 15.83 C ATOM 186 O LEU A 23 34.845 -7.800 -0.544 1.00 17.73 O ATOM 187 CB LEU A 23 37.655 -7.076 -1.019 1.00 22.09 C ATOM 188 CG LEU A 23 37.653 -5.725 -0.298 1.00 22.31 C ATOM 189 CD1 LEU A 23 38.623 -5.715 0.883 1.00 22.82 C ATOM 190 CD2 LEU A 23 37.993 -4.612 -1.281 1.00 23.64 C ATOM 191 H LEU A 23 36.555 -9.610 -1.811 1.00 0.00 H ATOM 192 N GLU A 24 35.552 -8.114 1.575 1.00 14.71 N ATOM 193 CA GLU A 24 34.249 -7.922 2.190 1.00 12.80 C ATOM 194 C GLU A 24 34.221 -6.590 2.927 1.00 19.49 C ATOM 195 O GLU A 24 35.226 -6.169 3.508 1.00 13.71 O ATOM 196 CB GLU A 24 33.926 -9.061 3.159 1.00 16.52 C ATOM 197 CG GLU A 24 33.608 -10.384 2.488 1.00 13.34 C ATOM 198 CD GLU A 24 33.249 -11.453 3.498 1.00 20.00 C ATOM 199 OE1 GLU A 24 34.171 -12.017 4.124 1.00 21.35 O ATOM 200 OE2 GLU A 24 32.041 -11.716 3.682 1.00 21.56 O ATOM 201 H GLU A 24 36.369 -8.306 2.189 1.00 0.00 H ATOM 202 N PHE A 25 33.072 -5.922 2.880 1.00 15.61 N ATOM 203 CA PHE A 25 32.835 -4.682 3.609 1.00 13.87 C ATOM 204 C PHE A 25 31.630 -4.881 4.517 1.00 14.67 C ATOM 205 O PHE A 25 30.633 -5.478 4.102 1.00 12.25 O ATOM 206 CB PHE A 25 32.592 -3.506 2.656 1.00 12.82 C ATOM 207 CG PHE A 25 33.818 -3.069 1.901 1.00 17.62 C ATOM 208 CD1 PHE A 25 34.725 -2.195 2.478 1.00 19.76 C ATOM 209 CD2 PHE A 25 34.059 -3.521 0.613 1.00 17.40 C ATOM 210 CE1 PHE A 25 35.857 -1.783 1.783 1.00 17.88 C ATOM 211 CE2 PHE A 25 35.182 -3.111 -0.085 1.00 22.06 C ATOM 212 CZ PHE A 25 36.082 -2.240 0.500 1.00 21.94 C ATOM 213 H PHE A 25 32.303 -6.304 2.293 1.00 0.00 H ATOM 214 N PHE A 26 31.722 -4.396 5.753 1.00 11.27 N ATOM 215 CA PHE A 26 30.636 -4.558 6.711 1.00 9.68 C ATOM 216 C PHE A 26 30.601 -3.352 7.634 1.00 19.12 C ATOM 217 O PHE A 26 31.513 -2.520 7.641 1.00 9.81 O ATOM 218 CB PHE A 26 30.793 -5.840 7.534 1.00 9.20 C ATOM 219 CG PHE A 26 31.808 -5.732 8.648 1.00 14.22 C ATOM 220 CD1 PHE A 26 33.168 -5.707 8.366 1.00 12.06 C ATOM 221 CD2 PHE A 26 31.400 -5.661 9.973 1.00 12.70 C ATOM 222 CE1 PHE A 26 34.107 -5.609 9.385 1.00 13.01 C ATOM 223 CE2 PHE A 26 32.331 -5.563 10.999 1.00 13.67 C ATOM 224 CZ PHE A 26 33.687 -5.538 10.706 1.00 12.84 C ATOM 225 H PHE A 26 32.585 -3.892 6.040 1.00 0.00 H ATOM 226 N SER A 27 29.524 -3.268 8.415 1.00 13.70 N ATOM 227 CA SER A 27 29.402 -2.316 9.509 1.00 13.66 C ATOM 228 C SER A 27 28.825 -3.040 10.713 1.00 15.63 C ATOM 229 O SER A 27 27.928 -3.876 10.572 1.00 12.65 O ATOM 230 CB SER A 27 28.500 -1.118 9.154 1.00 10.65 C ATOM 231 OG SER A 27 28.252 -0.322 10.310 1.00 10.83 O ATOM 232 HG SER A 27 29.111 0.016 10.667 1.00 0.00 H ATOM 233 H SER A 27 28.731 -3.916 8.233 1.00 0.00 H ATOM 234 N PHE A 28 29.346 -2.724 11.898 1.00 13.76 N ATOM 235 CA PHE A 28 28.733 -3.271 13.100 1.00 13.62 C ATOM 236 C PHE A 28 27.331 -2.726 13.330 1.00 10.75 C ATOM 237 O PHE A 28 26.604 -3.278 14.163 1.00 17.69 O ATOM 238 CB PHE A 28 29.617 -2.999 14.320 1.00 9.75 C ATOM 239 CG PHE A 28 30.849 -3.861 14.369 1.00 11.63 C ATOM 240 CD1 PHE A 28 32.104 -3.315 14.143 1.00 12.02 C ATOM 241 CD2 PHE A 28 30.745 -5.224 14.613 1.00 10.16 C ATOM 242 CE1 PHE A 28 33.237 -4.112 14.174 1.00 12.18 C ATOM 243 CE2 PHE A 28 31.873 -6.030 14.645 1.00 9.94 C ATOM 244 CZ PHE A 28 33.122 -5.474 14.426 1.00 9.14 C ATOM 245 H PHE A 28 30.174 -2.099 11.963 1.00 0.00 H ATOM 246 N PHE A 29 26.937 -1.667 12.619 1.00 12.17 N ATOM 247 CA PHE A 29 25.568 -1.159 12.667 1.00 14.47 C ATOM 248 C PHE A 29 24.641 -1.805 11.639 1.00 18.79 C ATOM 249 O PHE A 29 23.421 -1.633 11.733 1.00 17.58 O ATOM 250 CB PHE A 29 25.557 0.368 12.470 1.00 17.12 C ATOM 251 CG PHE A 29 25.884 1.147 13.722 1.00 21.22 C ATOM 252 CD1 PHE A 29 24.886 1.467 14.631 1.00 17.05 C ATOM 253 CD2 PHE A 29 27.183 1.569 13.985 1.00 21.05 C ATOM 254 CE1 PHE A 29 25.179 2.174 15.787 1.00 20.79 C ATOM 255 CE2 PHE A 29 27.474 2.278 15.143 1.00 12.18 C ATOM 256 CZ PHE A 29 26.472 2.573 16.040 1.00 22.94 C ATOM 257 H PHE A 29 27.629 -1.187 12.009 1.00 0.00 H ATOM 258 N CYS A 30 25.179 -2.566 10.692 1.00 15.95 N ATOM 259 CA CYS A 30 24.444 -3.074 9.527 1.00 13.09 C ATOM 260 C CYS A 30 23.677 -4.335 9.907 1.00 13.78 C ATOM 261 O CYS A 30 24.300 -5.327 10.310 1.00 16.69 O ATOM 262 CB CYS A 30 25.437 -3.324 8.360 1.00 18.17 C ATOM 263 SG CYS A 30 25.128 -4.727 7.224 1.00 27.23 S ATOM 264 H CYS A 30 26.184 -2.818 10.782 1.00 0.00 H ATOM 265 N PRO A 31 22.343 -4.343 9.846 1.00 17.37 N ATOM 266 CA PRO A 31 21.623 -5.519 10.371 1.00 21.76 C ATOM 267 C PRO A 31 21.895 -6.803 9.587 1.00 26.80 C ATOM 268 O PRO A 31 21.977 -7.887 10.183 1.00 14.67 O ATOM 269 CB PRO A 31 20.147 -5.077 10.323 1.00 19.72 C ATOM 270 CG PRO A 31 20.195 -3.565 10.381 1.00 24.86 C ATOM 271 CD PRO A 31 21.445 -3.198 9.596 1.00 21.36 C ATOM 272 N HIS A 32 22.093 -6.715 8.270 1.00 18.62 N ATOM 273 CA HIS A 32 22.426 -7.914 7.501 1.00 19.63 C ATOM 274 C HIS A 32 23.814 -8.432 7.846 1.00 20.90 C ATOM 275 O HIS A 32 24.076 -9.638 7.754 1.00 12.46 O ATOM 276 CB HIS A 32 22.354 -7.629 6.002 1.00 25.39 C ATOM 277 CG HIS A 32 20.977 -7.747 5.435 1.00 27.93 C ATOM 278 ND1 HIS A 32 20.072 -8.684 5.884 1.00 27.15 N ATOM 279 CD2 HIS A 32 20.343 -7.042 4.468 1.00 25.20 C ATOM 280 CE1 HIS A 32 18.940 -8.555 5.215 1.00 25.04 C ATOM 281 NE2 HIS A 32 19.077 -7.566 4.350 1.00 31.71 N ATOM 282 H HIS A 32 22.011 -5.795 7.791 1.00 0.00 H ATOM 283 N CYS A 33 24.732 -7.532 8.203 1.00 11.83 N ATOM 284 CA CYS A 33 26.093 -7.959 8.503 1.00 13.08 C ATOM 285 C CYS A 33 26.122 -8.782 9.784 1.00 14.82 C ATOM 286 O CYS A 33 26.875 -9.757 9.897 1.00 15.08 O ATOM 287 CB CYS A 33 27.013 -6.737 8.600 1.00 14.58 C ATOM 288 SG CYS A 33 26.977 -5.638 7.150 1.00 17.15 S ATOM 289 H CYS A 33 24.477 -6.526 8.267 1.00 0.00 H ATOM 290 N TYR A 34 25.279 -8.416 10.748 1.00 12.39 N ATOM 291 CA TYR A 34 25.114 -9.201 11.966 1.00 13.00 C ATOM 292 C TYR A 34 24.780 -10.650 11.637 1.00 16.35 C ATOM 293 O TYR A 34 25.382 -11.582 12.184 1.00 15.60 O ATOM 294 CB TYR A 34 24.012 -8.559 12.815 1.00 15.32 C ATOM 295 CG TYR A 34 23.802 -9.109 14.209 1.00 16.02 C ATOM 296 CD1 TYR A 34 23.103 -10.295 14.415 1.00 19.95 C ATOM 297 CD2 TYR A 34 24.241 -8.405 15.324 1.00 20.94 C ATOM 298 CE1 TYR A 34 22.884 -10.777 15.688 1.00 19.77 C ATOM 299 CE2 TYR A 34 24.024 -8.878 16.603 1.00 16.36 C ATOM 300 CZ TYR A 34 23.348 -10.064 16.780 1.00 17.69 C ATOM 301 OH TYR A 34 23.132 -10.539 18.055 1.00 18.91 O ATOM 302 HH TYR A 34 22.636 -11.395 18.008 1.00 0.00 H ATOM 303 H TYR A 34 24.722 -7.546 10.629 1.00 0.00 H ATOM 304 N GLN A 35 23.818 -10.854 10.734 1.00 13.56 N ATOM 305 CA GLN A 35 23.453 -12.210 10.333 1.00 18.92 C ATOM 306 C GLN A 35 24.594 -12.896 9.599 1.00 15.05 C ATOM 307 O GLN A 35 24.865 -14.079 9.837 1.00 16.06 O ATOM 308 CB GLN A 35 22.208 -12.182 9.453 1.00 18.84 C ATOM 309 CG GLN A 35 20.989 -11.602 10.132 1.00 23.29 C ATOM 310 CD GLN A 35 19.914 -11.234 9.139 1.00 39.23 C ATOM 311 OE1 GLN A 35 20.208 -10.784 8.030 1.00 32.42 O ATOM 312 NE2 GLN A 35 18.659 -11.429 9.525 1.00 33.70 N ATOM 313 HE22 GLN A 35 18.459 -11.811 10.471 1.00 0.00 H ATOM 314 HE21 GLN A 35 17.875 -11.199 8.881 1.00 0.00 H ATOM 315 H GLN A 35 23.325 -10.041 10.313 1.00 0.00 H ATOM 316 N PHE A 36 25.267 -12.174 8.693 1.00 14.90 N ATOM 317 CA PHE A 36 26.403 -12.757 7.985 1.00 12.60 C ATOM 318 C PHE A 36 27.430 -13.311 8.958 1.00 20.63 C ATOM 319 O PHE A 36 28.108 -14.300 8.654 1.00 13.76 O ATOM 320 CB PHE A 36 27.056 -11.718 7.067 1.00 11.43 C ATOM 321 CG PHE A 36 26.462 -11.661 5.683 1.00 15.40 C ATOM 322 CD1 PHE A 36 25.112 -11.906 5.473 1.00 18.91 C ATOM 323 CD2 PHE A 36 27.265 -11.375 4.591 1.00 18.75 C ATOM 324 CE1 PHE A 36 24.571 -11.854 4.195 1.00 16.43 C ATOM 325 CE2 PHE A 36 26.735 -11.324 3.314 1.00 14.41 C ATOM 326 CZ PHE A 36 25.385 -11.561 3.114 1.00 13.37 C ATOM 327 H PHE A 36 24.979 -11.195 8.493 1.00 0.00 H ATOM 328 N GLU A 37 27.546 -12.700 10.137 1.00 16.24 N ATOM 329 CA GLU A 37 28.499 -13.163 11.139 1.00 24.52 C ATOM 330 C GLU A 37 27.918 -14.286 11.995 1.00 19.73 C ATOM 331 O GLU A 37 28.513 -15.362 12.110 1.00 22.54 O ATOM 332 CB GLU A 37 28.937 -11.990 12.022 1.00 20.18 C ATOM 333 CG GLU A 37 29.829 -12.402 13.186 1.00 18.56 C ATOM 334 CD GLU A 37 31.099 -13.093 12.724 1.00 23.35 C ATOM 335 OE1 GLU A 37 31.633 -12.701 11.665 1.00 16.95 O ATOM 336 OE2 GLU A 37 31.552 -14.035 13.411 1.00 20.83 O ATOM 337 H GLU A 37 26.945 -11.877 10.346 1.00 0.00 H ATOM 338 N GLU A 38 26.749 -14.057 12.597 1.00 17.19 N ATOM 339 CA GLU A 38 26.285 -14.910 13.686 1.00 19.16 C ATOM 340 C GLU A 38 25.490 -16.135 13.241 1.00 20.32 C ATOM 341 O GLU A 38 25.595 -17.189 13.882 1.00 19.81 O ATOM 342 CB GLU A 38 25.437 -14.094 14.666 1.00 20.01 C ATOM 343 CG GLU A 38 26.233 -13.045 15.430 1.00 16.97 C ATOM 344 CD GLU A 38 25.707 -12.821 16.836 1.00 25.78 C ATOM 345 OE1 GLU A 38 24.705 -13.468 17.210 1.00 27.56 O ATOM 346 OE2 GLU A 38 26.301 -12.003 17.567 1.00 29.67 O ATOM 347 H GLU A 38 26.160 -13.259 12.285 1.00 0.00 H ATOM 348 N VAL A 39 24.684 -16.039 12.186 1.00 16.40 N ATOM 349 CA VAL A 39 23.814 -17.149 11.816 1.00 17.57 C ATOM 350 C VAL A 39 24.101 -17.706 10.432 1.00 16.86 C ATOM 351 O VAL A 39 23.740 -18.863 10.164 1.00 19.02 O ATOM 352 CB VAL A 39 22.325 -16.760 11.926 1.00 29.63 C ATOM 353 CG1 VAL A 39 21.991 -16.297 13.345 1.00 28.83 C ATOM 354 CG2 VAL A 39 21.974 -15.694 10.912 1.00 21.73 C ATOM 355 H VAL A 39 24.675 -15.166 11.621 1.00 0.00 H ATOM 356 N LEU A 40 24.727 -16.946 9.535 1.00 16.52 N ATOM 357 CA LEU A 40 25.045 -17.442 8.200 1.00 19.89 C ATOM 358 C LEU A 40 26.511 -17.809 8.020 1.00 23.03 C ATOM 359 O LEU A 40 26.828 -18.662 7.183 1.00 17.41 O ATOM 360 CB LEU A 40 24.668 -16.400 7.145 1.00 14.14 C ATOM 361 CG LEU A 40 23.206 -15.974 7.113 1.00 15.07 C ATOM 362 CD1 LEU A 40 22.986 -14.964 5.996 1.00 19.85 C ATOM 363 CD2 LEU A 40 22.295 -17.188 6.945 1.00 16.51 C ATOM 364 H LEU A 40 24.996 -15.975 9.792 1.00 0.00 H ATOM 365 N HIS A 41 27.406 -17.183 8.777 1.00 13.55 N ATOM 366 CA HIS A 41 28.835 -17.482 8.725 1.00 15.88 C ATOM 367 C HIS A 41 29.346 -17.442 7.286 1.00 19.77 C ATOM 368 O HIS A 41 29.997 -18.368 6.794 1.00 14.80 O ATOM 369 CB HIS A 41 29.121 -18.830 9.386 1.00 21.71 C ATOM 370 CG HIS A 41 28.537 -18.954 10.759 1.00 24.30 C ATOM 371 ND1 HIS A 41 29.071 -18.310 11.855 1.00 24.61 N ATOM 372 CD2 HIS A 41 27.446 -19.620 11.208 1.00 27.01 C ATOM 373 CE1 HIS A 41 28.343 -18.586 12.923 1.00 21.89 C ATOM 374 NE2 HIS A 41 27.352 -19.379 12.557 1.00 29.51 N ATOM 375 H HIS A 41 27.075 -16.449 9.435 1.00 0.00 H ATOM 376 N ILE A 42 29.036 -16.336 6.609 1.00 17.38 N ATOM 377 CA ILE A 42 29.318 -16.215 5.181 1.00 16.80 C ATOM 378 C ILE A 42 30.810 -16.340 4.910 1.00 13.17 C ATOM 379 O ILE A 42 31.230 -17.058 3.996 1.00 15.69 O ATOM 380 CB ILE A 42 28.752 -14.888 4.637 1.00 16.50 C ATOM 381 CG1 ILE A 42 27.228 -14.979 4.500 1.00 16.11 C ATOM 382 CG2 ILE A 42 29.406 -14.539 3.302 1.00 11.72 C ATOM 383 CD1 ILE A 42 26.767 -15.945 3.416 1.00 16.07 C ATOM 384 H ILE A 42 28.584 -15.543 7.108 1.00 0.00 H ATOM 385 N SER A 43 31.638 -15.654 5.702 1.00 14.80 N ATOM 386 CA SER A 43 33.076 -15.664 5.446 1.00 17.07 C ATOM 387 C SER A 43 33.644 -17.077 5.535 1.00 18.38 C ATOM 388 O SER A 43 34.396 -17.514 4.654 1.00 18.24 O ATOM 389 CB SER A 43 33.794 -14.730 6.422 1.00 17.64 C ATOM 390 OG SER A 43 33.345 -13.391 6.277 1.00 15.41 O ATOM 391 HG SER A 43 33.525 -13.082 5.354 1.00 0.00 H ATOM 392 H SER A 43 31.258 -15.111 6.503 1.00 0.00 H ATOM 393 N ASP A 44 33.296 -17.813 6.593 1.00 17.26 N ATOM 394 CA ASP A 44 33.835 -19.163 6.734 1.00 17.62 C ATOM 395 C ASP A 44 33.347 -20.076 5.617 1.00 17.37 C ATOM 396 O ASP A 44 34.113 -20.901 5.104 1.00 17.83 O ATOM 397 CB ASP A 44 33.470 -19.750 8.097 1.00 19.76 C ATOM 398 CG ASP A 44 34.054 -21.136 8.302 1.00 27.02 C ATOM 399 OD1 ASP A 44 35.296 -21.272 8.262 1.00 29.08 O ATOM 400 OD2 ASP A 44 33.272 -22.089 8.498 1.00 31.82 O ATOM 401 H ASP A 44 32.648 -17.429 7.310 1.00 0.00 H ATOM 402 N ASN A 45 32.078 -19.944 5.220 1.00 14.36 N ATOM 403 CA ASN A 45 31.546 -20.817 4.179 1.00 14.82 C ATOM 404 C ASN A 45 32.129 -20.483 2.811 1.00 23.73 C ATOM 405 O ASN A 45 32.358 -21.383 1.996 1.00 22.94 O ATOM 406 CB ASN A 45 30.021 -20.745 4.156 1.00 17.42 C ATOM 407 CG ASN A 45 29.395 -21.645 5.197 1.00 20.32 C ATOM 408 OD1 ASN A 45 29.444 -22.868 5.079 1.00 21.53 O ATOM 409 ND2 ASN A 45 28.817 -21.048 6.229 1.00 17.14 N ATOM 410 HD22 ASN A 45 28.800 -20.010 6.286 1.00 0.00 H ATOM 411 HD21 ASN A 45 28.381 -21.618 6.982 1.00 0.00 H ATOM 412 H ASN A 45 31.470 -19.220 5.653 1.00 0.00 H ATOM 413 N VAL A 46 32.377 -19.203 2.535 1.00 16.18 N ATOM 414 CA VAL A 46 33.083 -18.854 1.306 1.00 16.14 C ATOM 415 C VAL A 46 34.506 -19.401 1.344 1.00 15.01 C ATOM 416 O VAL A 46 34.984 -20.009 0.378 1.00 16.49 O ATOM 417 CB VAL A 46 33.063 -17.330 1.090 1.00 16.66 C ATOM 418 CG1 VAL A 46 34.036 -16.928 -0.017 1.00 15.22 C ATOM 419 CG2 VAL A 46 31.649 -16.862 0.766 1.00 14.45 C ATOM 420 H VAL A 46 32.069 -18.457 3.191 1.00 0.00 H ATOM 421 N LYS A 47 35.199 -19.205 2.468 1.00 16.95 N ATOM 422 CA LYS A 47 36.570 -19.689 2.595 1.00 17.23 C ATOM 423 C LYS A 47 36.668 -21.183 2.309 1.00 20.95 C ATOM 424 O LYS A 47 37.638 -21.644 1.696 1.00 21.76 O ATOM 425 CB LYS A 47 37.103 -19.374 3.994 1.00 19.68 C ATOM 426 CG LYS A 47 38.541 -19.806 4.229 1.00 24.08 C ATOM 427 CD LYS A 47 39.002 -19.421 5.624 1.00 29.70 C ATOM 428 CE LYS A 47 40.404 -19.930 5.913 1.00 35.94 C ATOM 429 NZ LYS A 47 40.881 -19.480 7.252 1.00 43.31 N ATOM 430 HZ1 LYS A 47 40.894 -18.441 7.283 1.00 0.00 H ATOM 431 HZ2 LYS A 47 40.240 -19.842 7.987 1.00 0.00 H ATOM 432 HZ3 LYS A 47 41.841 -19.845 7.417 1.00 0.00 H ATOM 433 H LYS A 47 34.756 -18.701 3.263 1.00 0.00 H ATOM 434 N LYS A 48 35.667 -21.957 2.739 1.00 21.96 N ATOM 435 CA LYS A 48 35.706 -23.404 2.548 1.00 27.65 C ATOM 436 C LYS A 48 35.460 -23.815 1.101 1.00 26.01 C ATOM 437 O LYS A 48 35.795 -24.943 0.727 1.00 28.81 O ATOM 438 CB LYS A 48 34.683 -24.087 3.457 1.00 34.80 C ATOM 439 CG LYS A 48 34.973 -23.926 4.939 1.00 36.33 C ATOM 440 CD LYS A 48 33.957 -24.673 5.781 1.00 43.09 C ATOM 441 CE LYS A 48 34.275 -24.546 7.261 1.00 49.00 C ATOM 442 NZ LYS A 48 33.238 -25.193 8.110 1.00 54.78 N ATOM 443 HZ1 LYS A 48 32.317 -24.742 7.935 1.00 0.00 H ATOM 444 HZ2 LYS A 48 33.181 -26.204 7.875 1.00 0.00 H ATOM 445 HZ3 LYS A 48 33.494 -25.083 9.112 1.00 0.00 H ATOM 446 H LYS A 48 34.850 -21.523 3.215 1.00 0.00 H ATOM 447 N LYS A 49 34.884 -22.938 0.284 1.00 20.30 N ATOM 448 CA LYS A 49 34.646 -23.226 -1.124 1.00 23.77 C ATOM 449 C LYS A 49 35.754 -22.702 -2.032 1.00 27.60 C ATOM 450 O LYS A 49 35.719 -22.955 -3.240 1.00 25.64 O ATOM 451 CB LYS A 49 33.295 -22.644 -1.561 1.00 20.83 C ATOM 452 CG LYS A 49 32.073 -23.408 -1.051 1.00 22.61 C ATOM 453 CD LYS A 49 31.854 -24.703 -1.826 1.00 28.51 C ATOM 454 CE LYS A 49 30.624 -25.453 -1.325 1.00 29.20 C ATOM 455 NZ LYS A 49 29.360 -24.675 -1.504 1.00 25.66 N ATOM 456 HZ1 LYS A 49 29.426 -23.782 -0.975 1.00 0.00 H ATOM 457 HZ2 LYS A 49 29.220 -24.471 -2.514 1.00 0.00 H ATOM 458 HZ3 LYS A 49 28.558 -25.232 -1.147 1.00 0.00 H ATOM 459 H LYS A 49 34.593 -22.014 0.663 1.00 0.00 H ATOM 460 N LEU A 50 36.731 -21.993 -1.485 1.00 23.02 N ATOM 461 CA LEU A 50 37.851 -21.465 -2.244 1.00 22.22 C ATOM 462 C LEU A 50 39.113 -22.271 -1.968 1.00 31.44 C ATOM 463 O LEU A 50 39.225 -22.941 -0.935 1.00 28.77 O ATOM 464 CB LEU A 50 38.090 -19.991 -1.892 1.00 19.99 C ATOM 465 CG LEU A 50 36.904 -19.076 -2.214 1.00 20.82 C ATOM 466 CD1 LEU A 50 37.160 -17.654 -1.738 1.00 24.47 C ATOM 467 CD2 LEU A 50 36.619 -19.101 -3.710 1.00 22.71 C ATOM 468 H LEU A 50 36.694 -21.806 -0.463 1.00 0.00 H ATOM 469 N PRO A 51 40.084 -22.242 -2.879 1.00 27.65 N ATOM 470 CA PRO A 51 41.313 -23.009 -2.654 1.00 29.42 C ATOM 471 C PRO A 51 42.053 -22.533 -1.412 1.00 36.35 C ATOM 472 O PRO A 51 41.950 -21.375 -0.994 1.00 32.82 O ATOM 473 CB PRO A 51 42.129 -22.773 -3.933 1.00 35.31 C ATOM 474 CG PRO A 51 41.487 -21.608 -4.617 1.00 43.19 C ATOM 475 CD PRO A 51 40.054 -21.593 -4.200 1.00 31.13 C ATOM 476 N GLU A 52 42.793 -23.463 -0.814 1.00 38.00 N ATOM 477 CA GLU A 52 43.551 -23.177 0.396 1.00 38.61 C ATOM 478 C GLU A 52 44.507 -22.009 0.177 1.00 43.56 C ATOM 479 O GLU A 52 45.199 -21.933 -0.842 1.00 45.18 O ATOM 480 CB GLU A 52 44.333 -24.424 0.813 1.00 48.91 C ATOM 481 CG GLU A 52 44.858 -24.439 2.240 1.00 53.43 C ATOM 482 CD GLU A 52 45.568 -25.746 2.569 1.00 68.72 C ATOM 483 OE1 GLU A 52 45.497 -26.689 1.749 1.00 72.72 O ATOM 484 OE2 GLU A 52 46.200 -25.833 3.643 1.00 73.50 O ATOM 485 H GLU A 52 42.831 -24.419 -1.221 1.00 0.00 H ATOM 486 N GLY A 53 44.541 -21.094 1.142 1.00 44.67 N ATOM 487 CA GLY A 53 45.498 -20.014 1.130 1.00 48.63 C ATOM 488 C GLY A 53 45.083 -18.771 0.374 1.00 47.46 C ATOM 489 O GLY A 53 45.845 -17.786 0.379 1.00 46.71 O ATOM 490 H GLY A 53 43.860 -21.159 1.925 1.00 0.00 H ATOM 491 N VAL A 54 43.913 -18.774 -0.276 1.00 43.79 N ATOM 492 CA VAL A 54 43.437 -17.561 -0.923 1.00 41.71 C ATOM 493 C VAL A 54 43.352 -16.441 0.104 1.00 37.89 C ATOM 494 O VAL A 54 43.042 -16.677 1.281 1.00 35.10 O ATOM 495 CB VAL A 54 42.085 -17.823 -1.608 1.00 43.14 C ATOM 496 CG1 VAL A 54 41.560 -16.549 -2.223 1.00 45.54 C ATOM 497 CG2 VAL A 54 42.243 -18.918 -2.675 1.00 43.11 C ATOM 498 H VAL A 54 43.344 -19.644 -0.319 1.00 0.00 H ATOM 499 N LYS A 55 43.602 -15.207 -0.356 1.00 35.76 N ATOM 500 CA LYS A 55 43.570 -14.054 0.533 1.00 29.41 C ATOM 501 C LYS A 55 42.145 -13.531 0.650 1.00 22.42 C ATOM 502 O LYS A 55 41.526 -13.168 -0.354 1.00 24.86 O ATOM 503 CB LYS A 55 44.497 -12.955 0.026 1.00 31.94 C ATOM 504 CG LYS A 55 44.511 -11.684 0.868 1.00 45.48 C ATOM 505 CD LYS A 55 45.013 -11.933 2.289 1.00 48.83 C ATOM 506 CE LYS A 55 45.452 -10.631 2.962 1.00 57.15 C ATOM 507 NZ LYS A 55 45.814 -10.818 4.398 1.00 61.18 N ATOM 508 HZ1 LYS A 55 44.990 -11.184 4.917 1.00 0.00 H ATOM 509 HZ2 LYS A 55 46.600 -11.495 4.471 1.00 0.00 H ATOM 510 HZ3 LYS A 55 46.103 -9.905 4.803 1.00 0.00 H ATOM 511 H LYS A 55 43.822 -15.071 -1.363 1.00 0.00 H ATOM 512 N MET A 56 41.641 -13.461 1.877 1.00 25.41 N ATOM 513 CA MET A 56 40.343 -12.873 2.174 1.00 22.77 C ATOM 514 C MET A 56 40.555 -11.686 3.101 1.00 26.43 C ATOM 515 O MET A 56 41.256 -11.801 4.112 1.00 23.81 O ATOM 516 CB MET A 56 39.406 -13.895 2.823 1.00 27.01 C ATOM 517 CG MET A 56 39.050 -15.057 1.919 1.00 31.74 C ATOM 518 SD MET A 56 37.869 -16.184 2.681 1.00 26.42 S ATOM 519 CE MET A 56 36.372 -15.196 2.691 1.00 20.54 C ATOM 520 H MET A 56 42.201 -13.845 2.664 1.00 0.00 H ATOM 521 N THR A 57 39.952 -10.555 2.755 1.00 22.11 N ATOM 522 CA THR A 57 40.092 -9.318 3.506 1.00 19.68 C ATOM 523 C THR A 57 38.712 -8.818 3.894 1.00 17.72 C ATOM 524 O THR A 57 37.755 -8.975 3.134 1.00 15.61 O ATOM 525 CB THR A 57 40.826 -8.267 2.672 1.00 24.31 C ATOM 526 OG1 THR A 57 42.051 -8.826 2.188 1.00 20.95 O ATOM 527 CG2 THR A 57 41.128 -7.033 3.504 1.00 21.53 C ATOM 528 HG1 THR A 57 42.530 -8.149 1.647 1.00 0.00 H ATOM 529 H THR A 57 39.351 -10.554 1.906 1.00 0.00 H ATOM 530 N LYS A 58 38.604 -8.233 5.086 1.00 17.34 N ATOM 531 CA LYS A 58 37.330 -7.712 5.570 1.00 15.00 C ATOM 532 C LYS A 58 37.565 -6.365 6.230 1.00 15.35 C ATOM 533 O LYS A 58 38.346 -6.269 7.182 1.00 11.60 O ATOM 534 CB LYS A 58 36.661 -8.675 6.556 1.00 13.33 C ATOM 535 CG LYS A 58 35.349 -8.132 7.116 1.00 16.20 C ATOM 536 CD LYS A 58 34.664 -9.133 8.037 1.00 19.76 C ATOM 537 CE LYS A 58 34.186 -10.364 7.279 1.00 19.84 C ATOM 538 NZ LYS A 58 33.505 -11.327 8.189 1.00 14.38 N ATOM 539 HZ1 LYS A 58 34.169 -11.630 8.930 1.00 0.00 H ATOM 540 HZ2 LYS A 58 32.682 -10.866 8.626 1.00 0.00 H ATOM 541 HZ3 LYS A 58 33.191 -12.155 7.643 1.00 0.00 H ATOM 542 H LYS A 58 39.449 -8.146 5.686 1.00 0.00 H ATOM 543 N TYR A 59 36.860 -5.342 5.748 1.00 12.10 N ATOM 544 CA TYR A 59 37.025 -3.970 6.203 1.00 11.22 C ATOM 545 C TYR A 59 35.700 -3.416 6.717 1.00 13.53 C ATOM 546 O TYR A 59 34.622 -3.781 6.235 1.00 14.04 O ATOM 547 CB TYR A 59 37.544 -3.060 5.073 1.00 12.47 C ATOM 548 CG TYR A 59 38.991 -3.278 4.662 1.00 13.65 C ATOM 549 CD1 TYR A 59 39.436 -2.879 3.408 1.00 15.13 C ATOM 550 CD2 TYR A 59 39.915 -3.857 5.529 1.00 16.06 C ATOM 551 CE1 TYR A 59 40.752 -3.057 3.015 1.00 21.67 C ATOM 552 CE2 TYR A 59 41.244 -4.043 5.143 1.00 15.03 C ATOM 553 CZ TYR A 59 41.653 -3.637 3.882 1.00 27.95 C ATOM 554 OH TYR A 59 42.965 -3.813 3.483 1.00 23.18 O ATOM 555 HH TYR A 59 43.189 -4.777 3.506 1.00 0.00 H ATOM 556 H TYR A 59 36.155 -5.534 5.008 1.00 0.00 H ATOM 557 N HIS A 60 35.797 -2.509 7.684 1.00 13.06 N ATOM 558 CA HIS A 60 34.651 -1.793 8.228 1.00 12.94 C ATOM 559 C HIS A 60 34.448 -0.488 7.460 1.00 11.84 C ATOM 560 O HIS A 60 35.367 0.027 6.818 1.00 13.43 O ATOM 561 CB HIS A 60 34.861 -1.517 9.723 1.00 9.64 C ATOM 562 CG HIS A 60 33.612 -1.131 10.456 1.00 12.32 C ATOM 563 ND1 HIS A 60 33.244 0.181 10.665 1.00 12.21 N ATOM 564 CD2 HIS A 60 32.651 -1.888 11.040 1.00 13.63 C ATOM 565 CE1 HIS A 60 32.107 0.216 11.339 1.00 14.64 C ATOM 566 NE2 HIS A 60 31.727 -1.026 11.580 1.00 10.59 N ATOM 567 H HIS A 60 36.739 -2.300 8.072 1.00 0.00 H ATOM 568 N VAL A 61 33.224 0.038 7.519 1.00 10.90 N ATOM 569 CA VAL A 61 32.880 1.243 6.774 1.00 11.97 C ATOM 570 C VAL A 61 32.356 2.309 7.728 1.00 12.38 C ATOM 571 O VAL A 61 31.885 2.029 8.835 1.00 11.98 O ATOM 572 CB VAL A 61 31.847 0.982 5.656 1.00 14.57 C ATOM 573 CG1 VAL A 61 32.345 -0.098 4.713 1.00 13.61 C ATOM 574 CG2 VAL A 61 30.477 0.605 6.262 1.00 12.07 C ATOM 575 H VAL A 61 32.500 -0.421 8.108 1.00 0.00 H ATOM 576 N ASN A 62 32.431 3.552 7.264 1.00 14.27 N ATOM 577 CA ASN A 62 32.042 4.696 8.074 1.00 14.41 C ATOM 578 C ASN A 62 30.575 5.088 7.934 1.00 16.22 C ATOM 579 O ASN A 62 30.062 5.791 8.808 1.00 18.26 O ATOM 580 CB ASN A 62 32.897 5.923 7.714 1.00 14.84 C ATOM 581 CG ASN A 62 34.351 5.777 8.120 1.00 14.53 C ATOM 582 OD1 ASN A 62 34.694 4.984 8.998 1.00 17.27 O ATOM 583 ND2 ASN A 62 35.216 6.569 7.486 1.00 15.88 N ATOM 584 HD22 ASN A 62 34.880 7.223 6.751 1.00 0.00 H ATOM 585 HD21 ASN A 62 36.227 6.533 7.727 1.00 0.00 H ATOM 586 H ASN A 62 32.777 3.711 6.296 1.00 0.00 H ATOM 587 N PHE A 63 29.887 4.681 6.867 1.00 14.79 N ATOM 588 CA PHE A 63 28.716 5.464 6.481 1.00 22.38 C ATOM 589 C PHE A 63 27.492 5.188 7.347 1.00 20.83 C ATOM 590 O PHE A 63 26.491 5.896 7.205 1.00 22.27 O ATOM 591 CB PHE A 63 28.374 5.282 4.996 1.00 17.31 C ATOM 592 CG PHE A 63 28.059 3.867 4.580 1.00 22.35 C ATOM 593 CD1 PHE A 63 29.027 3.098 3.959 1.00 24.71 C ATOM 594 CD2 PHE A 63 26.779 3.346 4.717 1.00 24.11 C ATOM 595 CE1 PHE A 63 28.751 1.819 3.539 1.00 26.11 C ATOM 596 CE2 PHE A 63 26.496 2.060 4.299 1.00 23.46 C ATOM 597 CZ PHE A 63 27.484 1.296 3.709 1.00 22.45 C ATOM 598 H PHE A 63 30.173 3.838 6.330 1.00 0.00 H ATOM 599 N MET A 64 27.555 4.219 8.261 1.00 17.28 N ATOM 600 CA MET A 64 26.473 3.965 9.207 1.00 15.13 C ATOM 601 C MET A 64 26.933 4.315 10.616 1.00 15.40 C ATOM 602 O MET A 64 28.032 3.936 11.031 1.00 15.53 O ATOM 603 CB MET A 64 26.019 2.498 9.169 1.00 16.18 C ATOM 604 CG MET A 64 25.622 1.986 7.799 1.00 20.59 C ATOM 605 SD MET A 64 24.925 0.325 7.914 1.00 20.13 S ATOM 606 CE MET A 64 23.405 0.659 8.811 1.00 23.63 C ATOM 607 H MET A 64 28.406 3.623 8.301 1.00 0.00 H ATOM 608 N GLY A 65 26.103 5.058 11.344 1.00 20.68 N ATOM 609 CA GLY A 65 26.340 5.276 12.755 1.00 17.41 C ATOM 610 C GLY A 65 27.065 6.549 13.117 1.00 14.95 C ATOM 611 O GLY A 65 27.475 6.695 14.273 1.00 15.80 O ATOM 612 H GLY A 65 25.271 5.489 10.892 1.00 0.00 H ATOM 613 N GLY A 66 27.251 7.467 12.174 1.00 15.45 N ATOM 614 CA GLY A 66 27.826 8.762 12.514 1.00 20.18 C ATOM 615 C GLY A 66 29.169 8.656 13.218 1.00 18.93 C ATOM 616 O GLY A 66 30.074 7.940 12.774 1.00 18.05 O ATOM 617 H GLY A 66 26.985 7.260 11.190 1.00 0.00 H ATOM 618 N ASP A 67 29.306 9.397 14.326 1.00 16.54 N ATOM 619 CA ASP A 67 30.553 9.398 15.091 1.00 14.91 C ATOM 620 C ASP A 67 30.969 7.984 15.462 1.00 14.64 C ATOM 621 O ASP A 67 32.125 7.587 15.273 1.00 16.87 O ATOM 622 CB ASP A 67 30.396 10.235 16.365 1.00 26.44 C ATOM 623 CG ASP A 67 30.984 11.625 16.240 1.00 34.27 C ATOM 624 OD1 ASP A 67 31.929 11.822 15.451 1.00 34.31 O ATOM 625 OD2 ASP A 67 30.490 12.527 16.948 1.00 43.52 O ATOM 626 H ASP A 67 28.510 9.983 14.649 1.00 0.00 H ATOM 627 N LEU A 68 30.030 7.209 16.004 1.00 13.27 N ATOM 628 CA LEU A 68 30.356 5.869 16.475 1.00 15.14 C ATOM 629 C LEU A 68 30.781 4.977 15.319 1.00 18.23 C ATOM 630 O LEU A 68 31.642 4.105 15.478 1.00 15.93 O ATOM 631 CB LEU A 68 29.152 5.285 17.217 1.00 15.97 C ATOM 632 CG LEU A 68 29.390 4.207 18.269 1.00 27.88 C ATOM 633 CD1 LEU A 68 30.537 4.609 19.195 1.00 22.67 C ATOM 634 CD2 LEU A 68 28.102 3.995 19.056 1.00 29.14 C ATOM 635 H LEU A 68 29.056 7.564 16.092 1.00 0.00 H ATOM 636 N GLY A 69 30.191 5.192 14.142 1.00 16.76 N ATOM 637 CA GLY A 69 30.599 4.438 12.966 1.00 16.77 C ATOM 638 C GLY A 69 32.070 4.606 12.641 1.00 20.48 C ATOM 639 O GLY A 69 32.768 3.635 12.338 1.00 17.89 O ATOM 640 H GLY A 69 29.435 5.902 14.064 1.00 0.00 H ATOM 641 N LYS A 70 32.568 5.845 12.715 1.00 11.53 N ATOM 642 CA LYS A 70 33.990 6.081 12.481 1.00 15.90 C ATOM 643 C LYS A 70 34.837 5.531 13.620 1.00 17.99 C ATOM 644 O LYS A 70 35.932 5.005 13.386 1.00 12.96 O ATOM 645 CB LYS A 70 34.258 7.573 12.283 1.00 24.46 C ATOM 646 CG LYS A 70 34.373 7.966 10.810 1.00 21.60 C ATOM 647 CD LYS A 70 34.502 9.469 10.619 1.00 20.36 C ATOM 648 CE LYS A 70 35.951 9.929 10.652 1.00 35.07 C ATOM 649 NZ LYS A 70 36.808 9.180 9.699 1.00 34.82 N ATOM 650 HZ1 LYS A 70 36.788 8.168 9.938 1.00 0.00 H ATOM 651 HZ2 LYS A 70 36.450 9.317 8.732 1.00 0.00 H ATOM 652 HZ3 LYS A 70 37.784 9.533 9.762 1.00 0.00 H ATOM 653 H LYS A 70 31.940 6.643 12.940 1.00 0.00 H ATOM 654 N ASP A 71 34.347 5.629 14.860 1.00 16.06 N ATOM 655 CA ASP A 71 35.044 4.982 15.968 1.00 13.36 C ATOM 656 C ASP A 71 35.184 3.489 15.719 1.00 12.93 C ATOM 657 O ASP A 71 36.223 2.892 16.029 1.00 11.90 O ATOM 658 CB ASP A 71 34.303 5.219 17.287 1.00 16.57 C ATOM 659 CG ASP A 71 34.620 6.565 17.909 1.00 22.74 C ATOM 660 OD1 ASP A 71 35.774 7.027 17.786 1.00 16.17 O ATOM 661 OD2 ASP A 71 33.714 7.154 18.534 1.00 22.63 O ATOM 662 H ASP A 71 33.473 6.164 15.035 1.00 0.00 H ATOM 663 N LEU A 72 34.143 2.869 15.165 1.00 9.59 N ATOM 664 CA LEU A 72 34.174 1.429 14.948 1.00 11.64 C ATOM 665 C LEU A 72 35.125 1.050 13.819 1.00 10.13 C ATOM 666 O LEU A 72 35.741 -0.020 13.866 1.00 11.79 O ATOM 667 CB LEU A 72 32.755 0.922 14.684 1.00 8.93 C ATOM 668 CG LEU A 72 31.916 0.859 15.969 1.00 11.60 C ATOM 669 CD1 LEU A 72 30.436 0.723 15.668 1.00 13.61 C ATOM 670 CD2 LEU A 72 32.390 -0.286 16.860 1.00 11.24 C ATOM 671 H LEU A 72 33.304 3.416 14.886 1.00 0.00 H ATOM 672 N THR A 73 35.285 1.915 12.815 1.00 10.74 N ATOM 673 CA THR A 73 36.288 1.650 11.789 1.00 9.44 C ATOM 674 C THR A 73 37.693 1.713 12.374 1.00 11.23 C ATOM 675 O THR A 73 38.564 0.912 12.009 1.00 13.50 O ATOM 676 CB THR A 73 36.151 2.644 10.639 1.00 12.44 C ATOM 677 OG1 THR A 73 34.870 2.491 10.015 1.00 13.42 O ATOM 678 CG2 THR A 73 37.248 2.416 9.607 1.00 17.08 C ATOM 679 HG1 THR A 73 34.788 3.138 9.270 1.00 0.00 H ATOM 680 H THR A 73 34.698 2.772 12.764 1.00 0.00 H ATOM 681 N GLN A 74 37.933 2.658 13.284 1.00 9.93 N ATOM 682 CA GLN A 74 39.228 2.725 13.948 1.00 10.35 C ATOM 683 C GLN A 74 39.429 1.534 14.877 1.00 14.82 C ATOM 684 O GLN A 74 40.534 0.987 14.962 1.00 15.47 O ATOM 685 CB GLN A 74 39.355 4.042 14.713 1.00 12.23 C ATOM 686 CG GLN A 74 40.748 4.310 15.267 1.00 12.18 C ATOM 687 CD GLN A 74 40.936 5.759 15.660 1.00 20.93 C ATOM 688 OE1 GLN A 74 40.144 6.622 15.280 1.00 17.95 O ATOM 689 NE2 GLN A 74 41.983 6.036 16.423 1.00 13.51 N ATOM 690 HE22 GLN A 74 42.626 5.274 16.720 1.00 0.00 H ATOM 691 HE21 GLN A 74 42.162 7.015 16.725 1.00 0.00 H ATOM 692 H GLN A 74 37.193 3.350 13.520 1.00 0.00 H ATOM 693 N ALA A 75 38.368 1.114 15.576 1.00 11.71 N ATOM 694 CA ALA A 75 38.463 -0.069 16.427 1.00 11.09 C ATOM 695 C ALA A 75 38.731 -1.319 15.601 1.00 9.97 C ATOM 696 O ALA A 75 39.486 -2.203 16.023 1.00 12.32 O ATOM 697 CB ALA A 75 37.182 -0.235 17.250 1.00 11.13 C ATOM 698 H ALA A 75 37.469 1.634 15.513 1.00 0.00 H ATOM 699 N TRP A 76 38.118 -1.415 14.418 1.00 10.80 N ATOM 700 CA TRP A 76 38.395 -2.557 13.555 1.00 13.09 C ATOM 701 C TRP A 76 39.844 -2.544 13.087 1.00 14.18 C ATOM 702 O TRP A 76 40.466 -3.603 12.945 1.00 12.16 O ATOM 703 CB TRP A 76 37.441 -2.570 12.361 1.00 10.78 C ATOM 704 CG TRP A 76 37.514 -3.861 11.602 1.00 12.18 C ATOM 705 CD1 TRP A 76 37.961 -4.041 10.328 1.00 13.14 C ATOM 706 CD2 TRP A 76 37.157 -5.160 12.091 1.00 10.20 C ATOM 707 NE1 TRP A 76 37.895 -5.372 9.987 1.00 11.84 N ATOM 708 CE2 TRP A 76 37.404 -6.079 11.053 1.00 13.84 C ATOM 709 CE3 TRP A 76 36.649 -5.633 13.305 1.00 13.09 C ATOM 710 CZ2 TRP A 76 37.157 -7.444 11.189 1.00 18.56 C ATOM 711 CZ3 TRP A 76 36.406 -6.989 13.440 1.00 18.57 C ATOM 712 CH2 TRP A 76 36.660 -7.879 12.387 1.00 15.74 C ATOM 713 HE1 TRP A 76 38.173 -5.776 9.070 1.00 0.00 H ATOM 714 H TRP A 76 37.448 -0.680 14.115 1.00 0.00 H ATOM 715 N ALA A 77 40.399 -1.354 12.839 1.00 10.01 N ATOM 716 CA ALA A 77 41.819 -1.262 12.518 1.00 13.32 C ATOM 717 C ALA A 77 42.669 -1.763 13.679 1.00 15.69 C ATOM 718 O ALA A 77 43.652 -2.485 13.474 1.00 16.08 O ATOM 719 CB ALA A 77 42.185 0.178 12.158 1.00 11.38 C ATOM 720 H ALA A 77 39.818 -0.492 12.875 1.00 0.00 H ATOM 721 N VAL A 78 42.295 -1.403 14.909 1.00 13.20 N ATOM 722 CA VAL A 78 42.980 -1.940 16.082 1.00 12.84 C ATOM 723 C VAL A 78 42.889 -3.460 16.098 1.00 13.84 C ATOM 724 O VAL A 78 43.885 -4.158 16.329 1.00 14.01 O ATOM 725 CB VAL A 78 42.400 -1.334 17.373 1.00 16.32 C ATOM 726 CG1 VAL A 78 42.942 -2.075 18.590 1.00 12.55 C ATOM 727 CG2 VAL A 78 42.723 0.149 17.462 1.00 12.52 C ATOM 728 H VAL A 78 41.509 -0.734 15.033 1.00 0.00 H ATOM 729 N ALA A 79 41.691 -3.999 15.858 1.00 12.11 N ATOM 730 CA ALA A 79 41.525 -5.450 15.874 1.00 12.73 C ATOM 731 C ALA A 79 42.399 -6.119 14.816 1.00 14.40 C ATOM 732 O ALA A 79 42.974 -7.188 15.061 1.00 16.24 O ATOM 733 CB ALA A 79 40.052 -5.813 15.675 1.00 11.31 C ATOM 734 H ALA A 79 40.875 -3.385 15.660 1.00 0.00 H ATOM 735 N MET A 80 42.519 -5.500 13.636 1.00 13.53 N ATOM 736 CA MET A 80 43.364 -6.066 12.587 1.00 16.21 C ATOM 737 C MET A 80 44.840 -5.959 12.951 1.00 15.21 C ATOM 738 O MET A 80 45.603 -6.918 12.776 1.00 17.96 O ATOM 739 CB MET A 80 43.089 -5.374 11.247 1.00 18.85 C ATOM 740 CG MET A 80 41.728 -5.695 10.632 1.00 14.45 C ATOM 741 SD MET A 80 41.544 -5.057 8.946 1.00 16.36 S ATOM 742 CE MET A 80 41.570 -3.292 9.229 1.00 16.25 C ATOM 743 H MET A 80 42.008 -4.611 13.464 1.00 0.00 H ATOM 744 N ALA A 81 45.260 -4.804 13.469 1.00 17.08 N ATOM 745 CA ALA A 81 46.660 -4.638 13.850 1.00 19.91 C ATOM 746 C ALA A 81 47.057 -5.622 14.943 1.00 23.12 C ATOM 747 O ALA A 81 48.157 -6.188 14.912 1.00 20.43 O ATOM 748 CB ALA A 81 46.910 -3.201 14.303 1.00 20.27 C ATOM 749 H ALA A 81 44.589 -4.020 13.602 1.00 0.00 H ATOM 750 N LEU A 82 46.176 -5.839 15.920 1.00 18.72 N ATOM 751 CA LEU A 82 46.457 -6.759 17.014 1.00 19.09 C ATOM 752 C LEU A 82 46.128 -8.206 16.677 1.00 16.17 C ATOM 753 O LEU A 82 46.516 -9.103 17.434 1.00 17.25 O ATOM 754 CB LEU A 82 45.678 -6.343 18.266 1.00 17.61 C ATOM 755 CG LEU A 82 46.031 -4.991 18.889 1.00 15.53 C ATOM 756 CD1 LEU A 82 45.171 -4.731 20.114 1.00 29.49 C ATOM 757 CD2 LEU A 82 47.506 -4.935 19.249 1.00 21.83 C ATOM 758 H LEU A 82 45.265 -5.338 15.901 1.00 0.00 H ATOM 759 N GLY A 83 45.430 -8.454 15.573 1.00 19.05 N ATOM 760 CA GLY A 83 45.044 -9.808 15.212 1.00 16.87 C ATOM 761 C GLY A 83 44.032 -10.437 16.146 1.00 20.32 C ATOM 762 O GLY A 83 44.130 -11.635 16.444 1.00 22.60 O ATOM 763 H GLY A 83 45.155 -7.664 14.956 1.00 0.00 H ATOM 764 N VAL A 84 43.052 -9.664 16.608 1.00 16.50 N ATOM 765 CA VAL A 84 42.054 -10.153 17.549 1.00 13.73 C ATOM 766 C VAL A 84 40.643 -10.072 16.967 1.00 18.44 C ATOM 767 O VAL A 84 39.670 -10.037 17.714 1.00 16.29 O ATOM 768 CB VAL A 84 42.145 -9.397 18.888 1.00 13.81 C ATOM 769 CG1 VAL A 84 43.495 -9.652 19.555 1.00 15.40 C ATOM 770 CG2 VAL A 84 41.919 -7.904 18.670 1.00 13.93 C ATOM 771 H VAL A 84 42.997 -8.677 16.286 1.00 0.00 H ATOM 772 N GLU A 85 40.518 -10.044 15.637 1.00 12.23 N ATOM 773 CA GLU A 85 39.198 -9.958 15.011 1.00 16.18 C ATOM 774 C GLU A 85 38.252 -11.020 15.560 1.00 16.63 C ATOM 775 O GLU A 85 37.099 -10.729 15.905 1.00 17.61 O ATOM 776 CB GLU A 85 39.319 -10.095 13.492 1.00 20.93 C ATOM 777 CG GLU A 85 40.177 -9.035 12.822 1.00 19.60 C ATOM 778 CD GLU A 85 41.602 -9.504 12.576 1.00 22.14 C ATOM 779 OE1 GLU A 85 42.172 -10.179 13.458 1.00 18.92 O ATOM 780 OE2 GLU A 85 42.152 -9.210 11.495 1.00 19.56 O ATOM 781 H GLU A 85 41.369 -10.084 15.040 1.00 0.00 H ATOM 782 N ASP A 86 38.725 -12.264 15.652 1.00 15.65 N ATOM 783 CA ASP A 86 37.861 -13.354 16.090 1.00 20.84 C ATOM 784 C ASP A 86 37.401 -13.192 17.532 1.00 19.66 C ATOM 785 O ASP A 86 36.391 -13.789 17.917 1.00 24.22 O ATOM 786 CB ASP A 86 38.577 -14.696 15.923 1.00 20.11 C ATOM 787 CG ASP A 86 38.782 -15.068 14.467 1.00 31.86 C ATOM 788 OD1 ASP A 86 38.289 -14.329 13.588 1.00 32.39 O ATOM 789 OD2 ASP A 86 39.437 -16.097 14.200 1.00 40.19 O ATOM 790 H ASP A 86 39.718 -12.458 15.409 1.00 0.00 H ATOM 791 N LYS A 87 38.111 -12.402 18.334 1.00 18.24 N ATOM 792 CA LYS A 87 37.759 -12.228 19.735 1.00 18.09 C ATOM 793 C LYS A 87 36.755 -11.105 19.967 1.00 16.50 C ATOM 794 O LYS A 87 36.028 -11.135 20.967 1.00 18.90 O ATOM 795 CB LYS A 87 39.018 -11.957 20.564 1.00 16.44 C ATOM 796 CG LYS A 87 39.967 -13.136 20.672 1.00 26.34 C ATOM 797 CD LYS A 87 41.238 -12.737 21.407 1.00 26.16 C ATOM 798 CE LYS A 87 42.147 -13.932 21.655 1.00 34.24 C ATOM 799 NZ LYS A 87 43.430 -13.521 22.292 1.00 38.15 N ATOM 800 HZ1 LYS A 87 43.927 -12.853 21.669 1.00 0.00 H ATOM 801 HZ2 LYS A 87 43.232 -13.063 23.205 1.00 0.00 H ATOM 802 HZ3 LYS A 87 44.024 -14.361 22.446 1.00 0.00 H ATOM 803 H LYS A 87 38.936 -11.898 17.951 1.00 0.00 H ATOM 804 N VAL A 88 36.687 -10.119 19.073 1.00 14.27 N ATOM 805 CA VAL A 88 35.868 -8.933 19.308 1.00 13.21 C ATOM 806 C VAL A 88 34.689 -8.804 18.354 1.00 14.94 C ATOM 807 O VAL A 88 33.776 -8.010 18.638 1.00 16.61 O ATOM 808 CB VAL A 88 36.716 -7.643 19.265 1.00 12.51 C ATOM 809 CG1 VAL A 88 37.732 -7.642 20.401 1.00 15.47 C ATOM 810 CG2 VAL A 88 37.403 -7.498 17.910 1.00 12.65 C ATOM 811 H VAL A 88 37.229 -10.196 18.189 1.00 0.00 H ATOM 812 N THR A 89 34.658 -9.548 17.246 1.00 13.63 N ATOM 813 CA THR A 89 33.596 -9.335 16.263 1.00 10.84 C ATOM 814 C THR A 89 32.217 -9.558 16.877 1.00 10.14 C ATOM 815 O THR A 89 31.331 -8.702 16.765 1.00 12.67 O ATOM 816 CB THR A 89 33.795 -10.243 15.050 1.00 20.17 C ATOM 817 OG1 THR A 89 35.062 -9.956 14.444 1.00 30.11 O ATOM 818 CG2 THR A 89 32.695 -9.991 14.030 1.00 11.85 C ATOM 819 HG1 THR A 89 35.785 -10.117 15.101 1.00 0.00 H ATOM 820 H THR A 89 35.384 -10.274 17.083 1.00 0.00 H ATOM 821 N VAL A 90 32.010 -10.704 17.526 1.00 10.92 N ATOM 822 CA VAL A 90 30.701 -11.004 18.105 1.00 11.99 C ATOM 823 C VAL A 90 30.319 -10.003 19.212 1.00 13.68 C ATOM 824 O VAL A 90 29.233 -9.439 19.146 1.00 15.58 O ATOM 825 CB VAL A 90 30.641 -12.460 18.574 1.00 17.05 C ATOM 826 CG1 VAL A 90 29.394 -12.706 19.417 1.00 21.91 C ATOM 827 CG2 VAL A 90 30.660 -13.399 17.375 1.00 17.44 C ATOM 828 H VAL A 90 32.786 -11.390 17.621 1.00 0.00 H ATOM 829 N PRO A 91 31.166 -9.782 20.221 1.00 19.43 N ATOM 830 CA PRO A 91 30.790 -8.788 21.251 1.00 22.43 C ATOM 831 C PRO A 91 30.555 -7.391 20.703 1.00 14.76 C ATOM 832 O PRO A 91 29.735 -6.657 21.268 1.00 11.36 O ATOM 833 CB PRO A 91 31.981 -8.825 22.226 1.00 23.63 C ATOM 834 CG PRO A 91 33.051 -9.629 21.538 1.00 27.19 C ATOM 835 CD PRO A 91 32.350 -10.552 20.605 1.00 18.42 C ATOM 836 N LEU A 92 31.239 -6.993 19.625 1.00 11.55 N ATOM 837 CA LEU A 92 30.961 -5.686 19.034 1.00 18.01 C ATOM 838 C LEU A 92 29.612 -5.681 18.321 1.00 20.34 C ATOM 839 O LEU A 92 28.831 -4.735 18.469 1.00 14.27 O ATOM 840 CB LEU A 92 32.088 -5.282 18.078 1.00 17.01 C ATOM 841 CG LEU A 92 33.430 -4.904 18.722 1.00 14.84 C ATOM 842 CD1 LEU A 92 34.535 -4.803 17.677 1.00 11.57 C ATOM 843 CD2 LEU A 92 33.319 -3.600 19.502 1.00 17.13 C ATOM 844 H LEU A 92 31.965 -7.611 19.209 1.00 0.00 H ATOM 845 N PHE A 93 29.312 -6.733 17.554 1.00 14.80 N ATOM 846 CA PHE A 93 27.994 -6.829 16.933 1.00 10.51 C ATOM 847 C PHE A 93 26.894 -6.793 17.985 1.00 14.29 C ATOM 848 O PHE A 93 25.899 -6.073 17.841 1.00 11.94 O ATOM 849 CB PHE A 93 27.885 -8.107 16.103 1.00 10.96 C ATOM 850 CG PHE A 93 28.240 -7.926 14.660 1.00 10.94 C ATOM 851 CD1 PHE A 93 27.483 -7.095 13.849 1.00 10.52 C ATOM 852 CD2 PHE A 93 29.316 -8.604 14.105 1.00 16.43 C ATOM 853 CE1 PHE A 93 27.799 -6.927 12.512 1.00 16.29 C ATOM 854 CE2 PHE A 93 29.639 -8.444 12.767 1.00 13.17 C ATOM 855 CZ PHE A 93 28.877 -7.602 11.968 1.00 13.25 C ATOM 856 H PHE A 93 30.016 -7.482 17.399 1.00 0.00 H ATOM 857 N GLU A 94 27.054 -7.568 19.057 1.00 11.81 N ATOM 858 CA GLU A 94 25.992 -7.643 20.053 1.00 12.91 C ATOM 859 C GLU A 94 25.931 -6.374 20.896 1.00 13.06 C ATOM 860 O GLU A 94 24.841 -5.929 21.269 1.00 14.05 O ATOM 861 CB GLU A 94 26.176 -8.891 20.916 1.00 17.37 C ATOM 862 CG GLU A 94 26.147 -10.155 20.057 1.00 23.15 C ATOM 863 CD GLU A 94 26.001 -11.439 20.844 1.00 28.42 C ATOM 864 OE1 GLU A 94 26.087 -11.392 22.086 1.00 30.05 O ATOM 865 OE2 GLU A 94 25.801 -12.498 20.207 1.00 25.13 O ATOM 866 H GLU A 94 27.930 -8.115 19.182 1.00 0.00 H ATOM 867 N GLY A 95 27.084 -5.763 21.185 1.00 13.19 N ATOM 868 CA GLY A 95 27.076 -4.493 21.896 1.00 13.97 C ATOM 869 C GLY A 95 26.361 -3.392 21.132 1.00 14.05 C ATOM 870 O GLY A 95 25.684 -2.548 21.725 1.00 13.96 O ATOM 871 H GLY A 95 27.987 -6.195 20.902 1.00 0.00 H ATOM 872 N VAL A 96 26.494 -3.386 19.807 1.00 13.01 N ATOM 873 CA VAL A 96 25.865 -2.343 19.004 1.00 13.36 C ATOM 874 C VAL A 96 24.393 -2.648 18.758 1.00 15.68 C ATOM 875 O VAL A 96 23.534 -1.772 18.899 1.00 14.04 O ATOM 876 CB VAL A 96 26.619 -2.155 17.676 1.00 19.18 C ATOM 877 CG1 VAL A 96 25.830 -1.233 16.764 1.00 11.66 C ATOM 878 CG2 VAL A 96 28.019 -1.611 17.918 1.00 14.88 C ATOM 879 H VAL A 96 27.051 -4.131 19.341 1.00 0.00 H ATOM 880 N GLN A 97 24.070 -3.884 18.379 1.00 13.20 N ATOM 881 CA GLN A 97 22.742 -4.188 17.856 1.00 14.27 C ATOM 882 C GLN A 97 21.847 -4.956 18.818 1.00 15.50 C ATOM 883 O GLN A 97 20.625 -4.807 18.738 1.00 17.78 O ATOM 884 CB GLN A 97 22.847 -4.986 16.548 1.00 19.27 C ATOM 885 CG GLN A 97 23.460 -4.196 15.390 1.00 17.94 C ATOM 886 CD GLN A 97 23.329 -4.902 14.043 1.00 20.61 C ATOM 887 OE1 GLN A 97 22.266 -5.423 13.699 1.00 15.50 O ATOM 888 NE2 GLN A 97 24.411 -4.912 13.271 1.00 13.88 N ATOM 889 HE22 GLN A 97 25.288 -4.460 13.600 1.00 0.00 H ATOM 890 HE21 GLN A 97 24.380 -5.371 12.338 1.00 0.00 H ATOM 891 H GLN A 97 24.776 -4.644 18.457 1.00 0.00 H ATOM 892 N LYS A 98 22.402 -5.772 19.719 1.00 15.36 N ATOM 893 CA LYS A 98 21.546 -6.590 20.582 1.00 16.76 C ATOM 894 C LYS A 98 21.304 -5.937 21.942 1.00 17.66 C ATOM 895 O LYS A 98 20.158 -5.662 22.313 1.00 19.16 O ATOM 896 CB LYS A 98 22.148 -7.989 20.758 1.00 16.64 C ATOM 897 CG LYS A 98 21.304 -8.904 21.623 1.00 20.80 C ATOM 898 CD LYS A 98 21.914 -10.300 21.760 1.00 24.24 C ATOM 899 CE LYS A 98 21.030 -11.194 22.631 1.00 32.15 C ATOM 900 NZ LYS A 98 21.604 -12.563 22.788 1.00 37.26 N ATOM 901 HZ1 LYS A 98 21.696 -13.008 21.853 1.00 0.00 H ATOM 902 HZ2 LYS A 98 22.540 -12.496 23.235 1.00 0.00 H ATOM 903 HZ3 LYS A 98 20.974 -13.136 23.385 1.00 0.00 H ATOM 904 H LYS A 98 23.437 -5.826 19.807 1.00 0.00 H ATOM 905 N THR A 99 22.374 -5.709 22.702 1.00 18.36 N ATOM 906 CA THR A 99 22.259 -5.075 24.005 1.00 21.27 C ATOM 907 C THR A 99 22.281 -3.560 23.912 1.00 19.19 C ATOM 908 O THR A 99 21.798 -2.892 24.833 1.00 19.84 O ATOM 909 CB THR A 99 23.391 -5.541 24.932 1.00 17.68 C ATOM 910 OG1 THR A 99 24.658 -5.173 24.373 1.00 16.10 O ATOM 911 CG2 THR A 99 23.346 -7.050 25.126 1.00 18.17 C ATOM 912 HG1 THR A 99 25.383 -5.476 24.975 1.00 0.00 H ATOM 913 H THR A 99 23.313 -5.991 22.355 1.00 0.00 H ATOM 914 N GLN A 100 22.811 -3.011 22.818 1.00 16.57 N ATOM 915 CA GLN A 100 22.926 -1.565 22.644 1.00 21.63 C ATOM 916 C GLN A 100 23.615 -0.930 23.847 1.00 19.42 C ATOM 917 O GLN A 100 23.215 0.122 24.348 1.00 21.80 O ATOM 918 CB GLN A 100 21.559 -0.939 22.370 1.00 19.63 C ATOM 919 CG GLN A 100 20.940 -1.499 21.092 1.00 20.47 C ATOM 920 CD GLN A 100 19.733 -0.721 20.608 1.00 28.71 C ATOM 921 OE1 GLN A 100 19.116 -1.081 19.604 1.00 43.48 O ATOM 922 NE2 GLN A 100 19.388 0.343 21.315 1.00 27.46 N ATOM 923 HE22 GLN A 100 19.939 0.609 22.156 1.00 0.00 H ATOM 924 HE21 GLN A 100 18.566 0.913 21.030 1.00 0.00 H ATOM 925 H GLN A 100 23.155 -3.635 22.061 1.00 0.00 H ATOM 926 N THR A 101 24.679 -1.586 24.305 1.00 17.03 N ATOM 927 CA THR A 101 25.532 -1.089 25.374 1.00 22.28 C ATOM 928 C THR A 101 26.766 -0.374 24.849 1.00 20.84 C ATOM 929 O THR A 101 27.605 0.053 25.647 1.00 25.42 O ATOM 930 CB THR A 101 25.960 -2.243 26.286 1.00 22.09 C ATOM 931 OG1 THR A 101 26.401 -3.346 25.481 1.00 23.85 O ATOM 932 CG2 THR A 101 24.799 -2.682 27.174 1.00 24.90 C ATOM 933 HG1 THR A 101 25.660 -3.643 24.896 1.00 0.00 H ATOM 934 H THR A 101 24.913 -2.504 23.875 1.00 0.00 H ATOM 935 N ILE A 102 26.904 -0.241 23.534 1.00 17.78 N ATOM 936 CA ILE A 102 28.022 0.469 22.928 1.00 24.05 C ATOM 937 C ILE A 102 27.502 1.814 22.431 1.00 17.44 C ATOM 938 O ILE A 102 26.812 1.895 21.410 1.00 19.33 O ATOM 939 CB ILE A 102 28.670 -0.345 21.800 1.00 21.18 C ATOM 940 CG1 ILE A 102 29.311 -1.614 22.368 1.00 17.06 C ATOM 941 CG2 ILE A 102 29.711 0.496 21.070 1.00 26.63 C ATOM 942 CD1 ILE A 102 29.901 -2.529 21.313 1.00 14.02 C ATOM 943 H ILE A 102 26.184 -0.661 22.912 1.00 0.00 H ATOM 944 N ARG A 103 27.837 2.875 23.159 1.00 15.71 N ATOM 945 CA ARG A 103 27.354 4.211 22.853 1.00 22.51 C ATOM 946 C ARG A 103 28.477 5.226 22.724 1.00 24.38 C ATOM 947 O ARG A 103 28.200 6.404 22.475 1.00 25.17 O ATOM 948 CB ARG A 103 26.372 4.685 23.937 1.00 20.18 C ATOM 949 CG ARG A 103 25.223 3.725 24.189 1.00 22.42 C ATOM 950 CD ARG A 103 24.342 4.202 25.335 1.00 33.83 C ATOM 951 NE ARG A 103 23.589 3.101 25.928 1.00 48.50 N ATOM 952 CZ ARG A 103 23.960 2.452 27.027 1.00 56.99 C ATOM 953 NH1 ARG A 103 25.073 2.797 27.661 1.00 56.84 N ATOM 954 NH2 ARG A 103 23.217 1.459 27.497 1.00 59.34 N ATOM 955 HE ARG A 103 22.707 2.806 25.462 1.00 0.00 H ATOM 956 HH12 ARG A 103 25.361 2.288 28.521 1.00 0.00 H ATOM 957 HH11 ARG A 103 25.658 3.577 27.298 1.00 0.00 H ATOM 958 HH22 ARG A 103 23.509 0.953 28.357 1.00 0.00 H ATOM 959 HH21 ARG A 103 22.342 1.187 27.005 1.00 0.00 H ATOM 960 H ARG A 103 28.467 2.744 23.976 1.00 0.00 H ATOM 961 N SER A 104 29.728 4.804 22.889 1.00 20.83 N ATOM 962 CA SER A 104 30.862 5.714 22.920 1.00 19.63 C ATOM 963 C SER A 104 32.125 4.915 22.647 1.00 20.48 C ATOM 964 O SER A 104 32.130 3.682 22.722 1.00 16.20 O ATOM 965 CB SER A 104 30.971 6.426 24.270 1.00 23.55 C ATOM 966 OG SER A 104 31.439 5.528 25.261 1.00 19.38 O ATOM 967 HG SER A 104 31.505 6.001 26.128 1.00 0.00 H ATOM 968 H SER A 104 29.901 3.785 23.000 1.00 0.00 H ATOM 969 N ALA A 105 33.205 5.635 22.341 1.00 16.47 N ATOM 970 CA ALA A 105 34.483 4.967 22.125 1.00 18.31 C ATOM 971 C ALA A 105 34.944 4.226 23.374 1.00 15.34 C ATOM 972 O ALA A 105 35.609 3.190 23.271 1.00 17.39 O ATOM 973 CB ALA A 105 35.539 5.979 21.683 1.00 16.41 C ATOM 974 H ALA A 105 33.136 6.669 22.257 1.00 0.00 H ATOM 975 N SER A 106 34.603 4.738 24.559 1.00 16.98 N ATOM 976 CA SER A 106 34.959 4.040 25.791 1.00 18.23 C ATOM 977 C SER A 106 34.259 2.688 25.881 1.00 16.43 C ATOM 978 O SER A 106 34.863 1.695 26.306 1.00 16.73 O ATOM 979 CB SER A 106 34.616 4.911 27.001 1.00 21.60 C ATOM 980 OG SER A 106 34.952 4.258 28.212 1.00 27.75 O ATOM 981 HG SER A 106 34.447 3.409 28.279 1.00 0.00 H ATOM 982 H SER A 106 34.082 5.637 24.605 1.00 0.00 H ATOM 983 N ASP A 107 32.986 2.626 25.479 1.00 14.73 N ATOM 984 CA ASP A 107 32.273 1.349 25.476 1.00 13.90 C ATOM 985 C ASP A 107 32.916 0.360 24.508 1.00 15.83 C ATOM 986 O ASP A 107 32.984 -0.844 24.790 1.00 15.87 O ATOM 987 CB ASP A 107 30.801 1.562 25.116 1.00 17.63 C ATOM 988 CG ASP A 107 30.070 2.440 26.119 1.00 20.50 C ATOM 989 OD1 ASP A 107 30.533 2.550 27.275 1.00 18.87 O ATOM 990 OD2 ASP A 107 29.022 3.016 25.753 1.00 17.61 O ATOM 991 H ASP A 107 32.500 3.491 25.167 1.00 0.00 H ATOM 992 N ILE A 108 33.377 0.842 23.352 1.00 12.43 N ATOM 993 CA ILE A 108 34.096 -0.034 22.429 1.00 11.07 C ATOM 994 C ILE A 108 35.344 -0.583 23.104 1.00 14.96 C ATOM 995 O ILE A 108 35.628 -1.786 23.055 1.00 18.64 O ATOM 996 CB ILE A 108 34.447 0.715 21.132 1.00 12.89 C ATOM 997 CG1 ILE A 108 33.184 1.111 20.368 1.00 14.83 C ATOM 998 CG2 ILE A 108 35.372 -0.128 20.265 1.00 11.30 C ATOM 999 CD1 ILE A 108 33.453 2.084 19.228 1.00 14.89 C ATOM 1000 H ILE A 108 33.225 1.841 23.108 1.00 0.00 H ATOM 1001 N ARG A 109 36.111 0.299 23.743 1.00 13.85 N ATOM 1002 CA ARG A 109 37.295 -0.134 24.471 1.00 12.88 C ATOM 1003 C ARG A 109 36.951 -1.227 25.481 1.00 16.70 C ATOM 1004 O ARG A 109 37.691 -2.213 25.614 1.00 15.71 O ATOM 1005 CB ARG A 109 37.934 1.072 25.162 1.00 13.87 C ATOM 1006 CG ARG A 109 39.251 0.791 25.854 1.00 14.89 C ATOM 1007 CD ARG A 109 39.843 2.070 26.432 1.00 19.97 C ATOM 1008 NE ARG A 109 41.120 1.822 27.097 1.00 17.24 N ATOM 1009 CZ ARG A 109 41.233 1.378 28.345 1.00 19.81 C ATOM 1010 NH1 ARG A 109 40.146 1.133 29.062 1.00 18.67 N ATOM 1011 NH2 ARG A 109 42.434 1.175 28.873 1.00 20.80 N ATOM 1012 HE ARG A 109 41.993 2.004 26.562 1.00 0.00 H ATOM 1013 HH12 ARG A 109 40.234 0.786 30.038 1.00 0.00 H ATOM 1014 HH11 ARG A 109 39.204 1.288 28.648 1.00 0.00 H ATOM 1015 HH22 ARG A 109 42.521 0.828 29.849 1.00 0.00 H ATOM 1016 HH21 ARG A 109 43.288 1.363 28.310 1.00 0.00 H ATOM 1017 H ARG A 109 35.861 1.308 23.722 1.00 0.00 H ATOM 1018 N ASP A 110 35.828 -1.075 26.200 1.00 16.29 N ATOM 1019 CA ASP A 110 35.452 -2.085 27.188 1.00 14.81 C ATOM 1020 C ASP A 110 35.329 -3.468 26.556 1.00 16.01 C ATOM 1021 O ASP A 110 35.677 -4.476 27.185 1.00 18.62 O ATOM 1022 CB ASP A 110 34.144 -1.699 27.872 1.00 16.01 C ATOM 1023 CG ASP A 110 34.296 -0.518 28.818 1.00 21.49 C ATOM 1024 OD1 ASP A 110 35.434 -0.202 29.224 1.00 19.69 O ATOM 1025 OD2 ASP A 110 33.262 0.094 29.163 1.00 21.88 O ATOM 1026 H ASP A 110 35.226 -0.240 26.055 1.00 0.00 H ATOM 1027 N VAL A 111 34.807 -3.543 25.326 1.00 14.59 N ATOM 1028 CA VAL A 111 34.662 -4.839 24.664 1.00 15.89 C ATOM 1029 C VAL A 111 36.020 -5.510 24.515 1.00 18.91 C ATOM 1030 O VAL A 111 36.164 -6.711 24.771 1.00 16.10 O ATOM 1031 CB VAL A 111 33.954 -4.681 23.304 1.00 20.05 C ATOM 1032 CG1 VAL A 111 34.100 -5.949 22.465 1.00 17.73 C ATOM 1033 CG2 VAL A 111 32.483 -4.366 23.506 1.00 20.90 C ATOM 1034 H VAL A 111 34.503 -2.676 24.839 1.00 0.00 H ATOM 1035 N PHE A 112 37.040 -4.747 24.102 1.00 20.06 N ATOM 1036 CA PHE A 112 38.384 -5.307 23.969 1.00 16.88 C ATOM 1037 C PHE A 112 38.951 -5.711 25.325 1.00 18.26 C ATOM 1038 O PHE A 112 39.555 -6.782 25.456 1.00 18.89 O ATOM 1039 CB PHE A 112 39.315 -4.300 23.285 1.00 14.24 C ATOM 1040 CG PHE A 112 39.075 -4.144 21.801 1.00 13.72 C ATOM 1041 CD1 PHE A 112 37.928 -3.521 21.327 1.00 15.34 C ATOM 1042 CD2 PHE A 112 40.014 -4.594 20.885 1.00 12.64 C ATOM 1043 CE1 PHE A 112 37.711 -3.368 19.960 1.00 14.00 C ATOM 1044 CE2 PHE A 112 39.806 -4.443 19.520 1.00 12.82 C ATOM 1045 CZ PHE A 112 38.651 -3.829 19.058 1.00 12.66 C ATOM 1046 H PHE A 112 36.875 -3.746 23.874 1.00 0.00 H ATOM 1047 N ILE A 113 38.782 -4.860 26.340 1.00 15.12 N ATOM 1048 CA ILE A 113 39.256 -5.194 27.682 1.00 16.77 C ATOM 1049 C ILE A 113 38.631 -6.503 28.146 1.00 19.79 C ATOM 1050 O ILE A 113 39.322 -7.415 28.616 1.00 20.45 O ATOM 1051 CB ILE A 113 38.946 -4.049 28.665 1.00 21.17 C ATOM 1052 CG1 ILE A 113 39.669 -2.764 28.252 1.00 21.09 C ATOM 1053 CG2 ILE A 113 39.313 -4.451 30.093 1.00 22.28 C ATOM 1054 CD1 ILE A 113 41.166 -2.906 28.170 1.00 20.64 C ATOM 1055 H ILE A 113 38.308 -3.949 26.174 1.00 0.00 H ATOM 1056 N ASN A 114 37.308 -6.610 28.019 1.00 20.95 N ATOM 1057 CA ASN A 114 36.610 -7.822 28.435 1.00 23.16 C ATOM 1058 C ASN A 114 37.082 -9.042 27.650 1.00 23.73 C ATOM 1059 O ASN A 114 37.062 -10.162 28.173 1.00 22.86 O ATOM 1060 CB ASN A 114 35.101 -7.616 28.273 1.00 18.90 C ATOM 1061 CG ASN A 114 34.291 -8.797 28.761 1.00 22.32 C ATOM 1062 OD1 ASN A 114 33.484 -9.360 28.020 1.00 32.42 O ATOM 1063 ND2 ASN A 114 34.504 -9.182 30.012 1.00 19.63 N ATOM 1064 HD22 ASN A 114 35.196 -8.676 30.601 1.00 0.00 H ATOM 1065 HD21 ASN A 114 33.979 -9.990 30.404 1.00 0.00 H ATOM 1066 H ASN A 114 36.766 -5.818 27.618 1.00 0.00 H ATOM 1067 N ALA A 115 37.510 -8.849 26.403 1.00 23.89 N ATOM 1068 CA ALA A 115 37.988 -9.954 25.581 1.00 26.02 C ATOM 1069 C ALA A 115 39.447 -10.299 25.855 1.00 28.27 C ATOM 1070 O ALA A 115 40.004 -11.151 25.157 1.00 32.72 O ATOM 1071 CB ALA A 115 37.804 -9.633 24.093 1.00 14.57 C ATOM 1072 H ALA A 115 37.503 -7.887 26.007 1.00 0.00 H ATOM 1073 N GLY A 116 40.086 -9.649 26.823 1.00 19.55 N ATOM 1074 CA GLY A 116 41.430 -9.995 27.216 1.00 20.81 C ATOM 1075 C GLY A 116 42.548 -9.173 26.609 1.00 21.22 C ATOM 1076 O GLY A 116 43.721 -9.513 26.833 1.00 25.87 O ATOM 1077 H GLY A 116 39.603 -8.868 27.311 1.00 0.00 H ATOM 1078 N ILE A 117 42.241 -8.124 25.844 1.00 19.90 N ATOM 1079 CA ILE A 117 43.280 -7.229 25.333 1.00 22.31 C ATOM 1080 C ILE A 117 43.628 -6.225 26.427 1.00 24.98 C ATOM 1081 O ILE A 117 42.742 -5.559 26.964 1.00 22.33 O ATOM 1082 CB ILE A 117 42.824 -6.516 24.049 1.00 20.80 C ATOM 1083 CG1 ILE A 117 42.690 -7.507 22.879 1.00 19.53 C ATOM 1084 CG2 ILE A 117 43.797 -5.408 23.688 1.00 17.59 C ATOM 1085 CD1 ILE A 117 41.360 -8.248 22.831 1.00 16.08 C ATOM 1086 H ILE A 117 41.246 -7.939 25.607 1.00 0.00 H ATOM 1087 N LYS A 118 44.912 -6.118 26.766 1.00 20.15 N ATOM 1088 CA LYS A 118 45.330 -5.208 27.828 1.00 22.88 C ATOM 1089 C LYS A 118 45.020 -3.766 27.452 1.00 23.16 C ATOM 1090 O LYS A 118 45.074 -3.381 26.281 1.00 24.40 O ATOM 1091 CB LYS A 118 46.829 -5.354 28.105 1.00 24.03 C ATOM 1092 CG LYS A 118 47.264 -6.741 28.575 1.00 31.36 C ATOM 1093 CD LYS A 118 48.752 -6.755 28.935 1.00 40.15 C ATOM 1094 CE LYS A 118 49.248 -8.180 29.137 1.00 50.46 C ATOM 1095 NZ LYS A 118 48.442 -8.921 30.151 1.00 55.50 N ATOM 1096 HZ1 LYS A 118 48.498 -8.427 31.065 1.00 0.00 H ATOM 1097 HZ2 LYS A 118 47.451 -8.965 29.839 1.00 0.00 H ATOM 1098 HZ3 LYS A 118 48.818 -9.885 30.253 1.00 0.00 H ATOM 1099 H LYS A 118 45.624 -6.689 26.268 1.00 0.00 H ATOM 1100 N GLY A 119 44.701 -2.965 28.469 1.00 21.02 N ATOM 1101 CA GLY A 119 44.357 -1.576 28.218 1.00 20.34 C ATOM 1102 C GLY A 119 45.496 -0.813 27.574 1.00 24.60 C ATOM 1103 O GLY A 119 45.290 -0.028 26.645 1.00 22.71 O ATOM 1104 H GLY A 119 44.698 -3.334 29.441 1.00 0.00 H ATOM 1105 N GLU A 120 46.718 -1.033 28.064 1.00 23.91 N ATOM 1106 CA GLU A 120 47.882 -0.370 27.482 1.00 25.02 C ATOM 1107 C GLU A 120 48.033 -0.725 26.008 1.00 21.92 C ATOM 1108 O GLU A 120 48.290 0.149 25.172 1.00 31.96 O ATOM 1109 CB GLU A 120 49.149 -0.738 28.265 1.00 25.60 C ATOM 1110 H GLU A 120 46.842 -1.682 28.867 1.00 0.00 H ATOM 1111 N GLU A 121 47.843 -2.004 25.666 1.00 26.86 N ATOM 1112 CA GLU A 121 47.982 -2.424 24.273 1.00 24.83 C ATOM 1113 C GLU A 121 46.893 -1.812 23.401 1.00 26.14 C ATOM 1114 O GLU A 121 47.159 -1.352 22.285 1.00 23.01 O ATOM 1115 CB GLU A 121 47.946 -3.949 24.160 1.00 26.33 C ATOM 1116 CG GLU A 121 49.153 -4.663 24.735 1.00 35.73 C ATOM 1117 CD GLU A 121 49.228 -6.108 24.288 1.00 51.61 C ATOM 1118 OE1 GLU A 121 48.515 -6.464 23.326 1.00 55.17 O ATOM 1119 OE2 GLU A 121 49.998 -6.886 24.895 1.00 59.96 O ATOM 1120 H GLU A 121 47.595 -2.703 26.395 1.00 0.00 H ATOM 1121 N TYR A 122 45.652 -1.811 23.886 1.00 22.56 N ATOM 1122 CA TYR A 122 44.573 -1.195 23.124 1.00 18.40 C ATOM 1123 C TYR A 122 44.861 0.276 22.857 1.00 17.93 C ATOM 1124 O TYR A 122 44.817 0.734 21.710 1.00 19.41 O ATOM 1125 CB TYR A 122 43.244 -1.343 23.863 1.00 21.56 C ATOM 1126 CG TYR A 122 42.081 -0.800 23.064 1.00 19.83 C ATOM 1127 CD1 TYR A 122 41.664 0.520 23.206 1.00 13.98 C ATOM 1128 CD2 TYR A 122 41.418 -1.604 22.151 1.00 12.91 C ATOM 1129 CE1 TYR A 122 40.605 1.014 22.464 1.00 12.98 C ATOM 1130 CE2 TYR A 122 40.365 -1.124 21.409 1.00 19.09 C ATOM 1131 CZ TYR A 122 39.960 0.181 21.566 1.00 15.47 C ATOM 1132 OH TYR A 122 38.904 0.646 20.815 1.00 13.96 O ATOM 1133 HH TYR A 122 38.734 1.595 21.039 1.00 0.00 H ATOM 1134 H TYR A 122 45.453 -2.250 24.808 1.00 0.00 H ATOM 1135 N ASP A 123 45.158 1.034 23.914 1.00 21.09 N ATOM 1136 CA ASP A 123 45.354 2.471 23.759 1.00 17.73 C ATOM 1137 C ASP A 123 46.543 2.777 22.855 1.00 21.05 C ATOM 1138 O ASP A 123 46.476 3.686 22.020 1.00 18.08 O ATOM 1139 CB ASP A 123 45.530 3.119 25.131 1.00 19.18 C ATOM 1140 CG ASP A 123 44.316 2.927 26.019 1.00 24.52 C ATOM 1141 OD1 ASP A 123 43.212 2.705 25.479 1.00 19.89 O ATOM 1142 OD2 ASP A 123 44.462 2.993 27.255 1.00 24.96 O ATOM 1143 H ASP A 123 45.250 0.598 24.854 1.00 0.00 H ATOM 1144 N ALA A 124 47.641 2.032 23.009 1.00 21.78 N ATOM 1145 CA ALA A 124 48.801 2.232 22.145 1.00 24.14 C ATOM 1146 C ALA A 124 48.436 2.017 20.681 1.00 25.67 C ATOM 1147 O ALA A 124 48.791 2.822 19.812 1.00 24.89 O ATOM 1148 CB ALA A 124 49.933 1.295 22.567 1.00 21.83 C ATOM 1149 H ALA A 124 47.670 1.303 23.751 1.00 0.00 H ATOM 1150 N ALA A 125 47.719 0.929 20.389 1.00 19.56 N ATOM 1151 CA ALA A 125 47.280 0.677 19.021 1.00 16.67 C ATOM 1152 C ALA A 125 46.313 1.755 18.552 1.00 15.70 C ATOM 1153 O ALA A 125 46.447 2.283 17.442 1.00 17.14 O ATOM 1154 CB ALA A 125 46.634 -0.707 18.922 1.00 16.01 C ATOM 1155 H ALA A 125 47.472 0.256 21.143 1.00 0.00 H ATOM 1156 N TRP A 126 45.336 2.102 19.395 1.00 15.14 N ATOM 1157 CA TRP A 126 44.328 3.083 19.006 1.00 16.92 C ATOM 1158 C TRP A 126 44.964 4.382 18.534 1.00 18.34 C ATOM 1159 O TRP A 126 44.485 5.008 17.581 1.00 19.09 O ATOM 1160 CB TRP A 126 43.380 3.355 20.176 1.00 15.59 C ATOM 1161 CG TRP A 126 42.338 4.395 19.872 1.00 15.64 C ATOM 1162 CD1 TRP A 126 42.455 5.746 20.041 1.00 21.16 C ATOM 1163 CD2 TRP A 126 41.022 4.170 19.345 1.00 12.72 C ATOM 1164 NE1 TRP A 126 41.296 6.373 19.652 1.00 19.48 N ATOM 1165 CE2 TRP A 126 40.401 5.429 19.222 1.00 25.02 C ATOM 1166 CE3 TRP A 126 40.311 3.026 18.968 1.00 11.98 C ATOM 1167 CZ2 TRP A 126 39.102 5.576 18.738 1.00 20.25 C ATOM 1168 CZ3 TRP A 126 39.021 3.176 18.485 1.00 16.68 C ATOM 1169 CH2 TRP A 126 38.431 4.441 18.376 1.00 15.27 C ATOM 1170 HE1 TRP A 126 41.126 7.399 19.680 1.00 0.00 H ATOM 1171 H TRP A 126 45.293 1.668 20.339 1.00 0.00 H ATOM 1172 N ASN A 127 46.045 4.804 19.187 1.00 20.76 N ATOM 1173 CA ASN A 127 46.698 6.068 18.878 1.00 18.75 C ATOM 1174 C ASN A 127 47.863 5.918 17.908 1.00 23.05 C ATOM 1175 O ASN A 127 48.560 6.905 17.641 1.00 21.38 O ATOM 1176 CB ASN A 127 47.182 6.736 20.169 1.00 21.46 C ATOM 1177 CG ASN A 127 46.036 7.118 21.087 1.00 29.15 C ATOM 1178 OD1 ASN A 127 45.270 8.036 20.791 1.00 25.50 O ATOM 1179 ND2 ASN A 127 45.913 6.414 22.206 1.00 31.83 N ATOM 1180 HD22 ASN A 127 46.584 5.647 22.414 1.00 0.00 H ATOM 1181 HD21 ASN A 127 45.146 6.629 22.874 1.00 0.00 H ATOM 1182 H ASN A 127 46.437 4.209 19.945 1.00 0.00 H ATOM 1183 N SER A 128 48.086 4.722 17.368 1.00 18.35 N ATOM 1184 CA SER A 128 49.260 4.472 16.545 1.00 30.25 C ATOM 1185 C SER A 128 49.038 4.928 15.110 1.00 28.48 C ATOM 1186 O SER A 128 47.908 4.974 14.612 1.00 20.20 O ATOM 1187 CB SER A 128 49.620 2.987 16.549 1.00 19.38 C ATOM 1188 OG SER A 128 48.620 2.235 15.885 1.00 17.81 O ATOM 1189 HG SER A 128 47.754 2.359 16.348 1.00 0.00 H ATOM 1190 H SER A 128 47.408 3.951 17.537 1.00 0.00 H ATOM 1191 N PHE A 129 50.143 5.263 14.441 1.00 23.05 N ATOM 1192 CA PHE A 129 50.063 5.620 13.032 1.00 22.41 C ATOM 1193 C PHE A 129 49.860 4.395 12.153 1.00 20.26 C ATOM 1194 O PHE A 129 49.318 4.513 11.051 1.00 21.44 O ATOM 1195 CB PHE A 129 51.314 6.394 12.623 1.00 23.16 C ATOM 1196 CG PHE A 129 51.286 7.820 13.069 1.00 27.30 C ATOM 1197 CD1 PHE A 129 51.803 8.187 14.298 1.00 25.14 C ATOM 1198 CD2 PHE A 129 50.693 8.788 12.277 1.00 24.97 C ATOM 1199 CE1 PHE A 129 51.754 9.504 14.718 1.00 30.21 C ATOM 1200 CE2 PHE A 129 50.640 10.103 12.690 1.00 28.37 C ATOM 1201 CZ PHE A 129 51.171 10.463 13.912 1.00 29.15 C ATOM 1202 H PHE A 129 51.063 5.269 14.927 1.00 0.00 H ATOM 1203 N VAL A 130 50.283 3.218 12.615 1.00 20.28 N ATOM 1204 CA VAL A 130 49.924 1.995 11.906 1.00 19.55 C ATOM 1205 C VAL A 130 48.407 1.857 11.830 1.00 17.62 C ATOM 1206 O VAL A 130 47.854 1.483 10.789 1.00 17.93 O ATOM 1207 CB VAL A 130 50.580 0.772 12.574 1.00 23.79 C ATOM 1208 CG1 VAL A 130 49.842 -0.501 12.194 1.00 30.61 C ATOM 1209 CG2 VAL A 130 52.047 0.676 12.166 1.00 22.26 C ATOM 1210 H VAL A 130 50.865 3.172 13.476 1.00 0.00 H ATOM 1211 N VAL A 131 47.708 2.178 12.920 1.00 16.72 N ATOM 1212 CA VAL A 131 46.250 2.111 12.904 1.00 15.14 C ATOM 1213 C VAL A 131 45.669 3.243 12.062 1.00 15.09 C ATOM 1214 O VAL A 131 44.699 3.042 11.324 1.00 15.18 O ATOM 1215 CB VAL A 131 45.696 2.118 14.340 1.00 20.21 C ATOM 1216 CG1 VAL A 131 44.213 2.455 14.340 1.00 14.87 C ATOM 1217 CG2 VAL A 131 45.921 0.756 14.984 1.00 17.61 C ATOM 1218 H VAL A 131 48.204 2.477 13.784 1.00 0.00 H ATOM 1219 N LYS A 132 46.254 4.444 12.150 1.00 16.15 N ATOM 1220 CA LYS A 132 45.861 5.523 11.243 1.00 20.06 C ATOM 1221 C LYS A 132 45.911 5.066 9.791 1.00 24.21 C ATOM 1222 O LYS A 132 45.003 5.362 9.004 1.00 22.04 O ATOM 1223 CB LYS A 132 46.764 6.743 11.430 1.00 22.22 C ATOM 1224 CG LYS A 132 46.213 7.820 12.343 1.00 34.53 C ATOM 1225 CD LYS A 132 47.186 8.998 12.403 1.00 40.40 C ATOM 1226 CE LYS A 132 46.773 9.996 13.473 1.00 47.57 C ATOM 1227 NZ LYS A 132 46.654 9.359 14.815 1.00 48.88 N ATOM 1228 HZ1 LYS A 132 45.937 8.607 14.778 1.00 0.00 H ATOM 1229 HZ2 LYS A 132 47.572 8.952 15.087 1.00 0.00 H ATOM 1230 HZ3 LYS A 132 46.371 10.075 15.514 1.00 0.00 H ATOM 1231 H LYS A 132 46.990 4.611 12.865 1.00 0.00 H ATOM 1232 N SER A 133 46.975 4.357 9.417 1.00 21.05 N ATOM 1233 CA SER A 133 47.124 3.915 8.035 1.00 21.03 C ATOM 1234 C SER A 133 46.116 2.827 7.692 1.00 18.02 C ATOM 1235 O SER A 133 45.596 2.789 6.571 1.00 21.91 O ATOM 1236 CB SER A 133 48.554 3.428 7.793 1.00 31.56 C ATOM 1237 OG SER A 133 48.698 2.872 6.499 1.00 39.50 O ATOM 1238 HG SER A 133 48.480 3.559 5.820 1.00 0.00 H ATOM 1239 H SER A 133 47.706 4.117 10.117 1.00 0.00 H ATOM 1240 N LEU A 134 45.821 1.937 8.643 1.00 15.89 N ATOM 1241 CA LEU A 134 44.807 0.914 8.404 1.00 16.91 C ATOM 1242 C LEU A 134 43.415 1.519 8.262 1.00 18.08 C ATOM 1243 O LEU A 134 42.590 0.996 7.503 1.00 14.48 O ATOM 1244 CB LEU A 134 44.827 -0.120 9.530 1.00 16.18 C ATOM 1245 CG LEU A 134 45.929 -1.180 9.418 1.00 23.71 C ATOM 1246 CD1 LEU A 134 46.140 -1.899 10.746 1.00 23.62 C ATOM 1247 CD2 LEU A 134 45.608 -2.167 8.306 1.00 19.52 C ATOM 1248 H LEU A 134 46.315 1.973 9.557 1.00 0.00 H ATOM 1249 N VAL A 135 43.128 2.604 8.984 1.00 16.90 N ATOM 1250 CA VAL A 135 41.876 3.323 8.761 1.00 17.71 C ATOM 1251 C VAL A 135 41.836 3.874 7.340 1.00 17.23 C ATOM 1252 O VAL A 135 40.840 3.723 6.622 1.00 15.29 O ATOM 1253 CB VAL A 135 41.698 4.440 9.805 1.00 19.59 C ATOM 1254 CG1 VAL A 135 40.589 5.386 9.374 1.00 15.91 C ATOM 1255 CG2 VAL A 135 41.389 3.842 11.173 1.00 14.91 C ATOM 1256 H VAL A 135 43.797 2.938 9.707 1.00 0.00 H ATOM 1257 N ALA A 136 42.928 4.513 6.910 1.00 15.44 N ATOM 1258 CA ALA A 136 42.996 5.020 5.545 1.00 19.02 C ATOM 1259 C ALA A 136 42.824 3.899 4.529 1.00 24.76 C ATOM 1260 O ALA A 136 42.166 4.081 3.497 1.00 19.03 O ATOM 1261 CB ALA A 136 44.324 5.750 5.322 1.00 20.58 C ATOM 1262 H ALA A 136 43.734 4.649 7.553 1.00 0.00 H ATOM 1263 N GLN A 137 43.412 2.728 4.800 1.00 16.43 N ATOM 1264 CA GLN A 137 43.310 1.619 3.856 1.00 24.12 C ATOM 1265 C GLN A 137 41.869 1.149 3.712 1.00 15.70 C ATOM 1266 O GLN A 137 41.415 0.849 2.601 1.00 16.33 O ATOM 1267 CB GLN A 137 44.206 0.460 4.296 1.00 26.23 C ATOM 1268 CG GLN A 137 45.695 0.769 4.280 1.00 36.46 C ATOM 1269 CD GLN A 137 46.532 -0.390 4.794 1.00 42.78 C ATOM 1270 OE1 GLN A 137 46.295 -1.545 4.439 1.00 42.57 O ATOM 1271 NE2 GLN A 137 47.510 -0.088 5.644 1.00 40.88 N ATOM 1272 HE22 GLN A 137 47.675 0.902 5.917 1.00 0.00 H ATOM 1273 HE21 GLN A 137 48.110 -0.842 6.036 1.00 0.00 H ATOM 1274 H GLN A 137 43.943 2.607 5.686 1.00 0.00 H ATOM 1275 N GLN A 138 41.139 1.067 4.827 1.00 14.35 N ATOM 1276 CA GLN A 138 39.736 0.665 4.763 1.00 14.64 C ATOM 1277 C GLN A 138 38.907 1.684 3.998 1.00 15.72 C ATOM 1278 O GLN A 138 38.049 1.318 3.188 1.00 14.44 O ATOM 1279 CB GLN A 138 39.173 0.485 6.170 1.00 12.30 C ATOM 1280 CG GLN A 138 39.862 -0.581 6.999 1.00 11.87 C ATOM 1281 CD GLN A 138 39.254 -0.697 8.378 1.00 11.14 C ATOM 1282 OE1 GLN A 138 38.225 -1.350 8.564 1.00 11.33 O ATOM 1283 NE2 GLN A 138 39.880 -0.051 9.358 1.00 11.54 N ATOM 1284 HE22 GLN A 138 40.746 0.488 9.155 1.00 0.00 H ATOM 1285 HE21 GLN A 138 39.503 -0.085 10.327 1.00 0.00 H ATOM 1286 H GLN A 138 41.572 1.291 5.746 1.00 0.00 H ATOM 1287 N GLU A 139 39.140 2.972 4.252 1.00 14.55 N ATOM 1288 CA GLU A 139 38.396 4.000 3.535 1.00 15.92 C ATOM 1289 C GLU A 139 38.713 3.967 2.046 1.00 16.85 C ATOM 1290 O GLU A 139 37.811 4.081 1.208 1.00 18.42 O ATOM 1291 CB GLU A 139 38.707 5.379 4.122 1.00 19.50 C ATOM 1292 CG GLU A 139 38.299 5.532 5.581 1.00 26.08 C ATOM 1293 CD GLU A 139 38.441 6.958 6.084 1.00 31.55 C ATOM 1294 OE1 GLU A 139 38.703 7.860 5.259 1.00 36.01 O ATOM 1295 OE2 GLU A 139 38.290 7.176 7.305 1.00 34.09 O ATOM 1296 H GLU A 139 39.851 3.243 4.961 1.00 0.00 H ATOM 1297 N LYS A 140 39.991 3.807 1.697 1.00 17.61 N ATOM 1298 CA LYS A 140 40.369 3.799 0.288 1.00 20.51 C ATOM 1299 C LYS A 140 39.736 2.628 -0.449 1.00 20.72 C ATOM 1300 O LYS A 140 39.257 2.783 -1.578 1.00 21.40 O ATOM 1301 CB LYS A 140 41.888 3.754 0.145 1.00 20.25 C ATOM 1302 CG LYS A 140 42.350 3.773 -1.298 1.00 26.69 C ATOM 1303 CD LYS A 140 43.821 3.429 -1.433 1.00 36.20 C ATOM 1304 CE LYS A 140 44.218 3.375 -2.901 1.00 40.96 C ATOM 1305 NZ LYS A 140 43.291 2.496 -3.673 1.00 39.57 N ATOM 1306 HZ1 LYS A 140 43.323 1.533 -3.282 1.00 0.00 H ATOM 1307 HZ2 LYS A 140 42.323 2.868 -3.602 1.00 0.00 H ATOM 1308 HZ3 LYS A 140 43.584 2.477 -4.671 1.00 0.00 H ATOM 1309 H LYS A 140 40.719 3.688 2.431 1.00 0.00 H ATOM 1310 N ALA A 141 39.739 1.444 0.167 1.00 18.15 N ATOM 1311 CA ALA A 141 39.142 0.275 -0.474 1.00 18.29 C ATOM 1312 C ALA A 141 37.669 0.517 -0.781 1.00 23.89 C ATOM 1313 O ALA A 141 37.193 0.218 -1.882 1.00 26.38 O ATOM 1314 CB ALA A 141 39.310 -0.960 0.417 1.00 17.09 C ATOM 1315 H ALA A 141 40.169 1.353 1.109 1.00 0.00 H ATOM 1316 N ALA A 142 36.927 1.053 0.191 1.00 17.09 N ATOM 1317 CA ALA A 142 35.516 1.351 -0.037 1.00 17.26 C ATOM 1318 C ALA A 142 35.350 2.470 -1.054 1.00 33.36 C ATOM 1319 O ALA A 142 34.469 2.403 -1.919 1.00 30.53 O ATOM 1320 CB ALA A 142 34.830 1.715 1.281 1.00 16.13 C ATOM 1321 H ALA A 142 37.356 1.259 1.115 1.00 0.00 H ATOM 1322 N ALA A 143 36.198 3.501 -0.977 1.00 25.58 N ATOM 1323 CA ALA A 143 36.087 4.618 -1.910 1.00 24.40 C ATOM 1324 C ALA A 143 36.230 4.150 -3.350 1.00 25.95 C ATOM 1325 O ALA A 143 35.534 4.650 -4.241 1.00 34.51 O ATOM 1326 CB ALA A 143 37.134 5.686 -1.588 1.00 26.70 C ATOM 1327 H ALA A 143 36.940 3.507 -0.249 1.00 0.00 H ATOM 1328 N ASP A 144 37.126 3.190 -3.598 1.00 24.14 N ATOM 1329 CA ASP A 144 37.351 2.717 -4.959 1.00 29.60 C ATOM 1330 C ASP A 144 36.048 2.381 -5.680 1.00 36.04 C ATOM 1331 O ASP A 144 35.981 2.483 -6.909 1.00 36.28 O ATOM 1332 CB ASP A 144 38.278 1.498 -4.943 1.00 37.65 C ATOM 1333 CG ASP A 144 39.725 1.867 -4.634 1.00 41.43 C ATOM 1334 OD1 ASP A 144 40.072 3.071 -4.691 1.00 38.48 O ATOM 1335 OD2 ASP A 144 40.514 0.946 -4.325 1.00 47.90 O ATOM 1336 H ASP A 144 37.668 2.776 -2.813 1.00 0.00 H ATOM 1337 N VAL A 145 35.003 1.986 -4.948 1.00 35.60 N ATOM 1338 CA VAL A 145 33.751 1.585 -5.588 1.00 24.93 C ATOM 1339 C VAL A 145 32.567 2.375 -5.040 1.00 42.35 C ATOM 1340 O VAL A 145 31.406 1.962 -5.181 1.00 34.32 O ATOM 1341 CB VAL A 145 33.510 0.078 -5.420 1.00 27.80 C ATOM 1342 CG1 VAL A 145 34.715 -0.699 -5.885 1.00 36.73 C ATOM 1343 CG2 VAL A 145 33.194 -0.238 -3.961 1.00 41.45 C ATOM 1344 H VAL A 145 35.081 1.963 -3.911 1.00 0.00 H ATOM 1345 N GLN A 146 32.854 3.509 -4.407 1.00 54.40 N ATOM 1346 CA GLN A 146 31.827 4.382 -3.839 1.00 57.85 C ATOM 1347 C GLN A 146 30.748 3.567 -3.127 1.00 58.63 C ATOM 1348 O GLN A 146 29.546 3.770 -3.319 1.00 61.89 O ATOM 1349 CB GLN A 146 31.215 5.277 -4.915 1.00 61.58 C ATOM 1350 H GLN A 146 33.852 3.787 -4.312 1.00 0.00 H ATOM 1351 N LEU A 147 31.200 2.611 -2.320 1.00 38.02 N ATOM 1352 CA LEU A 147 30.317 1.726 -1.574 1.00 39.22 C ATOM 1353 C LEU A 147 29.231 2.512 -0.852 1.00 46.66 C ATOM 1354 O LEU A 147 29.524 3.374 -0.019 1.00 35.56 O ATOM 1355 CB LEU A 147 31.145 0.921 -0.568 1.00 31.71 C ATOM 1356 CG LEU A 147 30.495 -0.271 0.125 1.00 23.91 C ATOM 1357 CD1 LEU A 147 30.291 -1.418 -0.856 1.00 29.18 C ATOM 1358 CD2 LEU A 147 31.363 -0.695 1.290 1.00 39.06 C ATOM 1359 H LEU A 147 32.228 2.491 -2.218 1.00 0.00 H ATOM 1360 N ARG A 148 27.972 2.214 -1.175 1.00 48.16 N ATOM 1361 CA ARG A 148 26.832 2.811 -0.489 1.00 46.45 C ATOM 1362 C ARG A 148 25.993 1.784 0.257 1.00 43.25 C ATOM 1363 O ARG A 148 24.953 2.144 0.824 1.00 37.83 O ATOM 1364 CB ARG A 148 25.945 3.580 -1.482 1.00 44.51 C ATOM 1365 H ARG A 148 27.797 1.533 -1.942 1.00 0.00 H ATOM 1366 N GLY A 149 26.415 0.525 0.278 1.00 36.18 N ATOM 1367 CA GLY A 149 25.655 -0.514 0.939 1.00 24.36 C ATOM 1368 C GLY A 149 26.491 -1.683 1.427 1.00 23.04 C ATOM 1369 O GLY A 149 27.427 -2.119 0.752 1.00 20.52 O ATOM 1370 H GLY A 149 27.311 0.281 -0.191 1.00 0.00 H ATOM 1371 N VAL A 150 26.160 -2.198 2.605 1.00 19.70 N ATOM 1372 CA VAL A 150 26.798 -3.398 3.145 1.00 17.81 C ATOM 1373 C VAL A 150 25.697 -4.353 3.580 1.00 17.50 C ATOM 1374 O VAL A 150 24.547 -3.936 3.790 1.00 18.47 O ATOM 1375 CB VAL A 150 27.743 -3.062 4.324 1.00 17.92 C ATOM 1376 CG1 VAL A 150 28.986 -2.341 3.825 1.00 18.99 C ATOM 1377 CG2 VAL A 150 27.010 -2.213 5.355 1.00 18.99 C ATOM 1378 H VAL A 150 25.419 -1.730 3.165 1.00 0.00 H ATOM 1379 N PRO A 151 26.006 -5.650 3.717 1.00 15.32 N ATOM 1380 CA PRO A 151 27.307 -6.277 3.472 1.00 17.49 C ATOM 1381 C PRO A 151 27.609 -6.393 1.983 1.00 25.15 C ATOM 1382 O PRO A 151 26.715 -6.673 1.191 1.00 22.72 O ATOM 1383 CB PRO A 151 27.148 -7.661 4.107 1.00 18.65 C ATOM 1384 CG PRO A 151 25.685 -7.947 3.989 1.00 16.72 C ATOM 1385 CD PRO A 151 25.003 -6.625 4.183 1.00 24.15 C ATOM 1386 N ALA A 152 28.866 -6.180 1.610 1.00 21.12 N ATOM 1387 CA ALA A 152 29.293 -6.242 0.225 1.00 15.77 C ATOM 1388 C ALA A 152 30.519 -7.133 0.112 1.00 15.38 C ATOM 1389 O ALA A 152 31.373 -7.160 1.002 1.00 16.35 O ATOM 1390 CB ALA A 152 29.622 -4.842 -0.327 1.00 17.62 C ATOM 1391 H ALA A 152 29.573 -5.960 2.341 1.00 0.00 H ATOM 1392 N MET A 153 30.613 -7.850 -1.001 1.00 15.39 N ATOM 1393 CA MET A 153 31.797 -8.639 -1.296 1.00 17.68 C ATOM 1394 C MET A 153 32.208 -8.389 -2.736 1.00 19.08 C ATOM 1395 O MET A 153 31.361 -8.391 -3.634 1.00 19.02 O ATOM 1396 CB MET A 153 31.564 -10.132 -1.076 1.00 14.37 C ATOM 1397 CG MET A 153 32.824 -10.941 -1.367 1.00 21.54 C ATOM 1398 SD MET A 153 32.598 -12.708 -1.155 1.00 27.97 S ATOM 1399 CE MET A 153 32.660 -12.880 0.618 1.00 20.98 C ATOM 1400 H MET A 153 29.822 -7.847 -1.676 1.00 0.00 H ATOM 1401 N PHE A 154 33.505 -8.178 -2.947 1.00 18.21 N ATOM 1402 CA PHE A 154 34.072 -7.970 -4.270 1.00 19.96 C ATOM 1403 C PHE A 154 35.104 -9.051 -4.546 1.00 26.51 C ATOM 1404 O PHE A 154 35.889 -9.414 -3.665 1.00 25.36 O ATOM 1405 CB PHE A 154 34.697 -6.576 -4.383 1.00 21.91 C ATOM 1406 CG PHE A 154 33.717 -5.465 -4.152 1.00 27.61 C ATOM 1407 CD1 PHE A 154 33.436 -5.021 -2.867 1.00 28.28 C ATOM 1408 CD2 PHE A 154 33.052 -4.882 -5.216 1.00 23.28 C ATOM 1409 CE1 PHE A 154 32.521 -4.007 -2.653 1.00 24.35 C ATOM 1410 CE2 PHE A 154 32.139 -3.865 -5.009 1.00 29.29 C ATOM 1411 CZ PHE A 154 31.874 -3.427 -3.726 1.00 26.09 C ATOM 1412 H PHE A 154 34.144 -8.161 -2.126 1.00 0.00 H ATOM 1413 N VAL A 155 35.088 -9.576 -5.767 1.00 21.18 N ATOM 1414 CA VAL A 155 35.984 -10.653 -6.174 1.00 21.93 C ATOM 1415 C VAL A 155 36.947 -10.105 -7.222 1.00 25.09 C ATOM 1416 O VAL A 155 36.521 -9.587 -8.263 1.00 29.47 O ATOM 1417 CB VAL A 155 35.205 -11.864 -6.706 1.00 23.98 C ATOM 1418 CG1 VAL A 155 36.163 -12.953 -7.150 1.00 22.17 C ATOM 1419 CG2 VAL A 155 34.252 -12.385 -5.630 1.00 21.42 C ATOM 1420 H VAL A 155 34.409 -9.204 -6.461 1.00 0.00 H ATOM 1421 N ASN A 156 38.246 -10.209 -6.934 1.00 28.44 N ATOM 1422 CA ASN A 156 39.302 -9.762 -7.843 1.00 36.87 C ATOM 1423 C ASN A 156 39.094 -8.313 -8.278 1.00 41.59 C ATOM 1424 O ASN A 156 39.424 -7.933 -9.403 1.00 44.68 O ATOM 1425 CB ASN A 156 39.404 -10.688 -9.056 1.00 40.11 C ATOM 1426 CG ASN A 156 39.886 -12.072 -8.682 1.00 41.18 C ATOM 1427 OD1 ASN A 156 40.719 -12.226 -7.789 1.00 47.69 O ATOM 1428 ND2 ASN A 156 39.361 -13.087 -9.353 1.00 36.41 N ATOM 1429 HD22 ASN A 156 38.660 -12.909 -10.100 1.00 0.00 H ATOM 1430 HD21 ASN A 156 39.650 -14.061 -9.132 1.00 0.00 H ATOM 1431 H ASN A 156 38.520 -10.627 -6.022 1.00 0.00 H ATOM 1432 N GLY A 157 38.543 -7.493 -7.384 1.00 32.29 N ATOM 1433 CA GLY A 157 38.303 -6.089 -7.675 1.00 30.45 C ATOM 1434 C GLY A 157 37.495 -5.846 -8.928 1.00 38.41 C ATOM 1435 O GLY A 157 37.606 -4.768 -9.532 1.00 41.09 O ATOM 1436 H GLY A 157 38.277 -7.868 -6.451 1.00 0.00 H ATOM 1437 N LYS A 158 36.661 -6.810 -9.328 1.00 39.68 N ATOM 1438 CA LYS A 158 35.971 -6.715 -10.609 1.00 39.78 C ATOM 1439 C LYS A 158 34.478 -6.992 -10.479 1.00 41.99 C ATOM 1440 O LYS A 158 33.653 -6.289 -11.080 1.00 37.28 O ATOM 1441 CB LYS A 158 36.589 -7.691 -11.593 1.00 40.71 C ATOM 1442 H LYS A 158 36.502 -7.638 -8.719 1.00 0.00 H ATOM 1443 N TYR A 159 34.118 -7.988 -9.666 1.00 26.51 N ATOM 1444 CA TYR A 159 32.744 -8.455 -9.553 1.00 24.83 C ATOM 1445 C TYR A 159 32.239 -8.240 -8.135 1.00 25.48 C ATOM 1446 O TYR A 159 32.972 -8.459 -7.165 1.00 24.79 O ATOM 1447 CB TYR A 159 32.639 -9.931 -9.944 1.00 25.76 C ATOM 1448 CG TYR A 159 33.227 -10.203 -11.308 1.00 28.18 C ATOM 1449 CD1 TYR A 159 32.596 -9.743 -12.454 1.00 37.17 C ATOM 1450 CD2 TYR A 159 34.431 -10.880 -11.448 1.00 27.62 C ATOM 1451 CE1 TYR A 159 33.131 -9.964 -13.712 1.00 37.33 C ATOM 1452 CE2 TYR A 159 34.980 -11.109 -12.710 1.00 34.93 C ATOM 1453 CZ TYR A 159 34.324 -10.648 -13.836 1.00 36.10 C ATOM 1454 OH TYR A 159 34.864 -10.873 -15.083 1.00 47.85 O ATOM 1455 HH TYR A 159 34.273 -10.480 -15.773 1.00 0.00 H ATOM 1456 H TYR A 159 34.850 -8.450 -9.089 1.00 0.00 H ATOM 1457 N GLN A 160 30.986 -7.807 -8.025 1.00 26.22 N ATOM 1458 CA GLN A 160 30.335 -7.562 -6.745 1.00 24.64 C ATOM 1459 C GLN A 160 29.200 -8.559 -6.562 1.00 22.72 C ATOM 1460 O GLN A 160 28.358 -8.712 -7.452 1.00 26.57 O ATOM 1461 CB GLN A 160 29.792 -6.132 -6.658 1.00 24.49 C ATOM 1462 CG GLN A 160 29.082 -5.817 -5.348 1.00 27.14 C ATOM 1463 CD GLN A 160 28.679 -4.358 -5.234 1.00 37.80 C ATOM 1464 OE1 GLN A 160 28.893 -3.567 -6.154 1.00 37.30 O ATOM 1465 NE2 GLN A 160 28.093 -3.995 -4.098 1.00 38.63 N ATOM 1466 HE22 GLN A 160 27.932 -4.697 -3.348 1.00 0.00 H ATOM 1467 HE21 GLN A 160 27.795 -3.008 -3.959 1.00 0.00 H ATOM 1468 H GLN A 160 30.444 -7.635 -8.896 1.00 0.00 H ATOM 1469 N LEU A 161 29.191 -9.245 -5.421 1.00 24.36 N ATOM 1470 CA LEU A 161 28.109 -10.172 -5.117 1.00 23.25 C ATOM 1471 C LEU A 161 26.784 -9.425 -5.052 1.00 17.91 C ATOM 1472 O LEU A 161 26.727 -8.272 -4.617 1.00 18.36 O ATOM 1473 CB LEU A 161 28.385 -10.890 -3.794 1.00 19.93 C ATOM 1474 CG LEU A 161 29.275 -12.133 -3.873 1.00 24.79 C ATOM 1475 CD1 LEU A 161 28.507 -13.298 -4.489 1.00 22.58 C ATOM 1476 CD2 LEU A 161 30.549 -11.848 -4.659 1.00 22.20 C ATOM 1477 H LEU A 161 29.965 -9.118 -4.739 1.00 0.00 H ATOM 1478 N ASN A 162 25.713 -10.084 -5.505 1.00 16.85 N ATOM 1479 CA ASN A 162 24.366 -9.517 -5.509 1.00 17.78 C ATOM 1480 C ASN A 162 23.431 -10.454 -4.749 1.00 19.63 C ATOM 1481 O ASN A 162 22.650 -11.202 -5.358 1.00 24.17 O ATOM 1482 CB ASN A 162 23.866 -9.280 -6.932 1.00 19.86 C ATOM 1483 CG ASN A 162 22.538 -8.560 -6.961 1.00 35.14 C ATOM 1484 OD1 ASN A 162 22.329 -7.597 -6.225 1.00 35.57 O ATOM 1485 ND2 ASN A 162 21.623 -9.036 -7.795 1.00 30.34 N ATOM 1486 HD22 ASN A 162 21.845 -9.853 -8.399 1.00 0.00 H ATOM 1487 HD21 ASN A 162 20.684 -8.592 -7.845 1.00 0.00 H ATOM 1488 H ASN A 162 25.845 -11.048 -5.873 1.00 0.00 H ATOM 1489 N PRO A 163 23.474 -10.434 -3.415 1.00 18.07 N ATOM 1490 CA PRO A 163 22.600 -11.333 -2.643 1.00 24.56 C ATOM 1491 C PRO A 163 21.122 -11.056 -2.847 1.00 25.70 C ATOM 1492 O PRO A 163 20.299 -11.937 -2.566 1.00 19.15 O ATOM 1493 CB PRO A 163 23.023 -11.075 -1.192 1.00 25.19 C ATOM 1494 CG PRO A 163 23.601 -9.682 -1.212 1.00 22.65 C ATOM 1495 CD PRO A 163 24.261 -9.536 -2.552 1.00 18.45 C ATOM 1496 N GLN A 164 20.758 -9.863 -3.323 1.00 20.30 N ATOM 1497 CA GLN A 164 19.357 -9.575 -3.601 1.00 25.20 C ATOM 1498 C GLN A 164 18.772 -10.566 -4.601 1.00 35.24 C ATOM 1499 O GLN A 164 17.551 -10.761 -4.643 1.00 30.08 O ATOM 1500 CB GLN A 164 19.204 -8.142 -4.124 1.00 30.43 C ATOM 1501 CG GLN A 164 19.505 -7.046 -3.101 1.00 39.27 C ATOM 1502 CD GLN A 164 20.993 -6.775 -2.924 1.00 49.61 C ATOM 1503 OE1 GLN A 164 21.839 -7.531 -3.403 1.00 45.37 O ATOM 1504 NE2 GLN A 164 21.315 -5.686 -2.234 1.00 52.00 N ATOM 1505 HE22 GLN A 164 20.567 -5.075 -1.847 1.00 0.00 H ATOM 1506 HE21 GLN A 164 22.315 -5.444 -2.081 1.00 0.00 H ATOM 1507 H GLN A 164 21.479 -9.134 -3.497 1.00 0.00 H ATOM 1508 N GLY A 165 19.619 -11.203 -5.405 1.00 30.03 N ATOM 1509 CA GLY A 165 19.142 -12.129 -6.413 1.00 33.58 C ATOM 1510 C GLY A 165 19.239 -13.589 -6.017 1.00 36.76 C ATOM 1511 O GLY A 165 19.214 -14.469 -6.882 1.00 38.91 O ATOM 1512 H GLY A 165 20.641 -11.034 -5.309 1.00 0.00 H ATOM 1513 N MET A 166 19.337 -13.866 -4.717 1.00 30.92 N ATOM 1514 CA MET A 166 19.512 -15.223 -4.220 1.00 29.28 C ATOM 1515 C MET A 166 18.339 -15.630 -3.337 1.00 31.55 C ATOM 1516 O MET A 166 17.677 -14.789 -2.722 1.00 31.24 O ATOM 1517 CB MET A 166 20.824 -15.363 -3.440 1.00 27.37 C ATOM 1518 CG MET A 166 22.060 -15.018 -4.253 1.00 15.01 C ATOM 1519 SD MET A 166 23.568 -15.062 -3.274 1.00 19.08 S ATOM 1520 CE MET A 166 24.744 -14.375 -4.446 1.00 21.24 C ATOM 1521 H MET A 166 19.287 -13.084 -4.033 1.00 0.00 H ATOM 1522 N ASP A 167 18.102 -16.939 -3.276 1.00 27.99 N ATOM 1523 CA ASP A 167 16.974 -17.478 -2.526 1.00 31.91 C ATOM 1524 C ASP A 167 17.133 -17.211 -1.035 1.00 24.32 C ATOM 1525 O ASP A 167 18.164 -17.540 -0.439 1.00 27.49 O ATOM 1526 CB ASP A 167 16.857 -18.982 -2.787 1.00 41.81 C ATOM 1527 CG ASP A 167 15.711 -19.626 -2.027 1.00 54.30 C ATOM 1528 OD1 ASP A 167 14.946 -18.901 -1.357 1.00 53.43 O ATOM 1529 OD2 ASP A 167 15.573 -20.865 -2.103 1.00 56.71 O ATOM 1530 H ASP A 167 18.737 -17.593 -3.776 1.00 0.00 H ATOM 1531 N THR A 168 16.098 -16.626 -0.425 1.00 21.87 N ATOM 1532 CA THR A 168 16.095 -16.376 1.013 1.00 26.80 C ATOM 1533 C THR A 168 15.016 -17.169 1.745 1.00 33.23 C ATOM 1534 O THR A 168 14.734 -16.880 2.915 1.00 25.85 O ATOM 1535 CB THR A 168 15.937 -14.878 1.312 1.00 21.90 C ATOM 1536 OG1 THR A 168 14.688 -14.401 0.800 1.00 24.28 O ATOM 1537 CG2 THR A 168 17.078 -14.083 0.687 1.00 26.72 C ATOM 1538 HG1 THR A 168 14.598 -13.435 0.999 1.00 0.00 H ATOM 1539 H THR A 168 15.273 -16.341 -0.990 1.00 0.00 H ATOM 1540 N SER A 169 14.403 -18.159 1.094 1.00 25.30 N ATOM 1541 CA SER A 169 13.463 -19.023 1.797 1.00 28.26 C ATOM 1542 C SER A 169 14.178 -19.983 2.734 1.00 26.35 C ATOM 1543 O SER A 169 13.557 -20.501 3.668 1.00 24.95 O ATOM 1544 CB SER A 169 12.612 -19.812 0.800 1.00 31.38 C ATOM 1545 OG SER A 169 13.363 -20.856 0.202 1.00 37.60 O ATOM 1546 HG SER A 169 14.138 -20.470 -0.278 1.00 0.00 H ATOM 1547 H SER A 169 14.596 -18.314 0.084 1.00 0.00 H ATOM 1548 N ASN A 170 15.472 -20.208 2.515 1.00 20.37 N ATOM 1549 CA ASN A 170 16.247 -21.192 3.261 1.00 23.85 C ATOM 1550 C ASN A 170 17.639 -20.621 3.494 1.00 22.86 C ATOM 1551 O ASN A 170 18.361 -20.333 2.535 1.00 20.49 O ATOM 1552 CB ASN A 170 16.304 -22.520 2.493 1.00 20.51 C ATOM 1553 CG ASN A 170 17.090 -23.593 3.223 1.00 25.92 C ATOM 1554 OD1 ASN A 170 18.240 -23.384 3.609 1.00 19.32 O ATOM 1555 ND2 ASN A 170 16.472 -24.757 3.409 1.00 23.56 N ATOM 1556 HD22 ASN A 170 15.499 -24.890 3.066 1.00 0.00 H ATOM 1557 HD21 ASN A 170 16.962 -25.534 3.897 1.00 0.00 H ATOM 1558 H ASN A 170 15.953 -19.655 1.777 1.00 0.00 H ATOM 1559 N MET A 171 18.015 -20.451 4.764 1.00 18.09 N ATOM 1560 CA MET A 171 19.278 -19.783 5.073 1.00 16.09 C ATOM 1561 C MET A 171 20.482 -20.553 4.548 1.00 21.55 C ATOM 1562 O MET A 171 21.467 -19.943 4.118 1.00 14.10 O ATOM 1563 CB MET A 171 19.410 -19.577 6.580 1.00 16.54 C ATOM 1564 CG MET A 171 18.360 -18.656 7.174 1.00 19.65 C ATOM 1565 SD MET A 171 18.341 -18.691 8.980 1.00 31.70 S ATOM 1566 CE MET A 171 19.923 -17.950 9.369 1.00 35.49 C ATOM 1567 H MET A 171 17.408 -20.795 5.535 1.00 0.00 H ATOM 1568 N ASP A 172 20.438 -21.884 4.585 1.00 20.68 N ATOM 1569 CA ASP A 172 21.598 -22.644 4.140 1.00 19.19 C ATOM 1570 C ASP A 172 21.705 -22.658 2.621 1.00 17.73 C ATOM 1571 O ASP A 172 22.814 -22.606 2.079 1.00 17.99 O ATOM 1572 CB ASP A 172 21.546 -24.062 4.709 1.00 17.48 C ATOM 1573 CG ASP A 172 21.586 -24.074 6.231 1.00 25.12 C ATOM 1574 OD1 ASP A 172 20.560 -24.411 6.855 1.00 28.60 O ATOM 1575 OD2 ASP A 172 22.639 -23.716 6.803 1.00 28.51 O ATOM 1576 H ASP A 172 19.587 -22.374 4.927 1.00 0.00 H ATOM 1577 N VAL A 173 20.571 -22.707 1.916 1.00 16.11 N ATOM 1578 CA VAL A 173 20.610 -22.584 0.458 1.00 15.96 C ATOM 1579 C VAL A 173 21.197 -21.236 0.057 1.00 14.70 C ATOM 1580 O VAL A 173 22.012 -21.143 -0.870 1.00 14.30 O ATOM 1581 CB VAL A 173 19.204 -22.790 -0.136 1.00 20.56 C ATOM 1582 CG1 VAL A 173 19.204 -22.470 -1.624 1.00 23.75 C ATOM 1583 CG2 VAL A 173 18.727 -24.215 0.104 1.00 18.91 C ATOM 1584 H VAL A 173 19.661 -22.833 2.403 1.00 0.00 H ATOM 1585 N PHE A 174 20.791 -20.171 0.748 1.00 14.57 N ATOM 1586 CA PHE A 174 21.345 -18.846 0.483 1.00 14.13 C ATOM 1587 C PHE A 174 22.866 -18.845 0.622 1.00 13.54 C ATOM 1588 O PHE A 174 23.587 -18.390 -0.273 1.00 14.49 O ATOM 1589 CB PHE A 174 20.711 -17.833 1.439 1.00 13.57 C ATOM 1590 CG PHE A 174 21.296 -16.456 1.341 1.00 15.41 C ATOM 1591 CD1 PHE A 174 22.348 -16.077 2.160 1.00 14.53 C ATOM 1592 CD2 PHE A 174 20.789 -15.536 0.436 1.00 17.25 C ATOM 1593 CE1 PHE A 174 22.891 -14.800 2.075 1.00 16.28 C ATOM 1594 CE2 PHE A 174 21.326 -14.254 0.343 1.00 16.85 C ATOM 1595 CZ PHE A 174 22.376 -13.887 1.162 1.00 14.76 C ATOM 1596 H PHE A 174 20.069 -20.285 1.487 1.00 0.00 H ATOM 1597 N VAL A 175 23.368 -19.340 1.752 1.00 13.22 N ATOM 1598 CA VAL A 175 24.811 -19.377 1.979 1.00 12.55 C ATOM 1599 C VAL A 175 25.502 -20.167 0.877 1.00 16.05 C ATOM 1600 O VAL A 175 26.557 -19.769 0.369 1.00 17.21 O ATOM 1601 CB VAL A 175 25.101 -19.971 3.370 1.00 17.46 C ATOM 1602 CG1 VAL A 175 26.581 -20.266 3.538 1.00 15.29 C ATOM 1603 CG2 VAL A 175 24.601 -19.028 4.455 1.00 12.35 C ATOM 1604 H VAL A 175 22.724 -19.705 2.483 1.00 0.00 H ATOM 1605 N GLN A 176 24.912 -21.298 0.491 1.00 13.10 N ATOM 1606 CA GLN A 176 25.483 -22.135 -0.558 1.00 17.15 C ATOM 1607 C GLN A 176 25.547 -21.388 -1.885 1.00 14.76 C ATOM 1608 O GLN A 176 26.578 -21.393 -2.566 1.00 15.20 O ATOM 1609 CB GLN A 176 24.646 -23.409 -0.680 1.00 20.90 C ATOM 1610 CG GLN A 176 25.223 -24.500 -1.549 1.00 28.83 C ATOM 1611 CD GLN A 176 24.448 -25.794 -1.396 1.00 36.46 C ATOM 1612 OE1 GLN A 176 24.890 -26.717 -0.712 1.00 46.37 O ATOM 1613 NE2 GLN A 176 23.276 -25.861 -2.018 1.00 30.12 N ATOM 1614 HE22 GLN A 176 22.942 -25.056 -2.586 1.00 0.00 H ATOM 1615 HE21 GLN A 176 22.693 -26.718 -1.937 1.00 0.00 H ATOM 1616 H GLN A 176 24.025 -21.590 0.948 1.00 0.00 H ATOM 1617 N GLN A 177 24.444 -20.742 -2.274 1.00 17.18 N ATOM 1618 CA GLN A 177 24.440 -19.973 -3.514 1.00 15.82 C ATOM 1619 C GLN A 177 25.471 -18.852 -3.466 1.00 17.54 C ATOM 1620 O GLN A 177 26.213 -18.636 -4.432 1.00 17.85 O ATOM 1621 CB GLN A 177 23.045 -19.404 -3.773 1.00 18.58 C ATOM 1622 CG GLN A 177 21.957 -20.460 -3.922 1.00 29.00 C ATOM 1623 CD GLN A 177 20.623 -19.866 -4.338 1.00 33.84 C ATOM 1624 OE1 GLN A 177 20.425 -18.652 -4.269 1.00 26.38 O ATOM 1625 NE2 GLN A 177 19.706 -20.717 -4.782 1.00 28.18 N ATOM 1626 HE22 GLN A 177 19.917 -21.734 -4.823 1.00 0.00 H ATOM 1627 HE21 GLN A 177 18.776 -20.366 -5.089 1.00 0.00 H ATOM 1628 H GLN A 177 23.584 -20.788 -1.690 1.00 0.00 H ATOM 1629 N TYR A 178 25.528 -18.131 -2.345 1.00 13.28 N ATOM 1630 CA TYR A 178 26.495 -17.050 -2.190 1.00 16.13 C ATOM 1631 C TYR A 178 27.919 -17.570 -2.353 1.00 16.60 C ATOM 1632 O TYR A 178 28.699 -17.043 -3.154 1.00 17.64 O ATOM 1633 CB TYR A 178 26.300 -16.394 -0.819 1.00 14.90 C ATOM 1634 CG TYR A 178 26.911 -15.017 -0.633 1.00 13.82 C ATOM 1635 CD1 TYR A 178 28.269 -14.865 -0.384 1.00 19.48 C ATOM 1636 CD2 TYR A 178 26.117 -13.872 -0.656 1.00 14.68 C ATOM 1637 CE1 TYR A 178 28.828 -13.608 -0.189 1.00 18.81 C ATOM 1638 CE2 TYR A 178 26.668 -12.607 -0.463 1.00 16.55 C ATOM 1639 CZ TYR A 178 28.026 -12.484 -0.229 1.00 20.19 C ATOM 1640 OH TYR A 178 28.588 -11.237 -0.036 1.00 19.97 O ATOM 1641 HH TYR A 178 28.433 -10.679 -0.839 1.00 0.00 H ATOM 1642 H TYR A 178 24.871 -18.344 -1.567 1.00 0.00 H ATOM 1643 N ALA A 179 28.267 -18.624 -1.607 1.00 19.08 N ATOM 1644 CA ALA A 179 29.615 -19.178 -1.680 1.00 13.06 C ATOM 1645 C ALA A 179 29.916 -19.734 -3.066 1.00 14.75 C ATOM 1646 O ALA A 179 31.023 -19.554 -3.587 1.00 17.29 O ATOM 1647 CB ALA A 179 29.797 -20.265 -0.621 1.00 19.53 C ATOM 1648 H ALA A 179 27.569 -19.054 -0.967 1.00 0.00 H ATOM 1649 N ASP A 180 28.952 -20.432 -3.674 1.00 14.23 N ATOM 1650 CA ASP A 180 29.179 -20.956 -5.018 1.00 19.18 C ATOM 1651 C ASP A 180 29.356 -19.837 -6.035 1.00 22.88 C ATOM 1652 O ASP A 180 30.117 -19.992 -6.998 1.00 18.35 O ATOM 1653 CB ASP A 180 28.029 -21.871 -5.437 1.00 15.82 C ATOM 1654 CG ASP A 180 28.048 -23.203 -4.712 1.00 17.38 C ATOM 1655 OD1 ASP A 180 29.069 -23.511 -4.058 1.00 16.52 O ATOM 1656 OD2 ASP A 180 27.039 -23.939 -4.796 1.00 16.69 O ATOM 1657 H ASP A 180 28.046 -20.601 -3.193 1.00 0.00 H ATOM 1658 N THR A 181 28.663 -18.710 -5.850 1.00 14.98 N ATOM 1659 CA THR A 181 28.865 -17.580 -6.749 1.00 15.64 C ATOM 1660 C THR A 181 30.270 -17.013 -6.600 1.00 16.00 C ATOM 1661 O THR A 181 30.926 -16.688 -7.598 1.00 17.33 O ATOM 1662 CB THR A 181 27.814 -16.499 -6.485 1.00 17.44 C ATOM 1663 OG1 THR A 181 26.507 -17.051 -6.679 1.00 17.74 O ATOM 1664 CG2 THR A 181 28.001 -15.325 -7.437 1.00 16.27 C ATOM 1665 HG1 THR A 181 26.372 -17.805 -6.052 1.00 0.00 H ATOM 1666 H THR A 181 27.982 -18.639 -5.067 1.00 0.00 H ATOM 1667 N VAL A 182 30.753 -16.893 -5.360 1.00 16.57 N ATOM 1668 CA VAL A 182 32.125 -16.437 -5.139 1.00 19.07 C ATOM 1669 C VAL A 182 33.105 -17.367 -5.839 1.00 21.32 C ATOM 1670 O VAL A 182 34.023 -16.921 -6.537 1.00 18.72 O ATOM 1671 CB VAL A 182 32.430 -16.337 -3.632 1.00 17.45 C ATOM 1672 CG1 VAL A 182 33.877 -15.906 -3.416 1.00 16.23 C ATOM 1673 CG2 VAL A 182 31.468 -15.373 -2.950 1.00 14.61 C ATOM 1674 H VAL A 182 30.149 -17.126 -4.546 1.00 0.00 H ATOM 1675 N LYS A 183 32.922 -18.678 -5.662 1.00 17.30 N ATOM 1676 CA LYS A 183 33.805 -19.641 -6.315 1.00 19.00 C ATOM 1677 C LYS A 183 33.770 -19.466 -7.829 1.00 22.92 C ATOM 1678 O LYS A 183 34.816 -19.409 -8.485 1.00 25.84 O ATOM 1679 CB LYS A 183 33.408 -21.064 -5.911 1.00 18.99 C ATOM 1680 CG LYS A 183 34.369 -22.154 -6.382 1.00 24.21 C ATOM 1681 CD LYS A 183 33.993 -23.513 -5.800 1.00 28.32 C ATOM 1682 CE LYS A 183 34.866 -24.632 -6.362 1.00 27.48 C ATOM 1683 NZ LYS A 183 34.692 -24.789 -7.829 1.00 27.75 N ATOM 1684 HZ1 LYS A 183 33.698 -25.016 -8.037 1.00 0.00 H ATOM 1685 HZ2 LYS A 183 34.953 -23.902 -8.305 1.00 0.00 H ATOM 1686 HZ3 LYS A 183 35.303 -25.559 -8.169 1.00 0.00 H ATOM 1687 H LYS A 183 32.147 -19.015 -5.056 1.00 0.00 H ATOM 1688 N TYR A 184 32.565 -19.365 -8.399 1.00 19.73 N ATOM 1689 CA TYR A 184 32.428 -19.139 -9.836 1.00 21.20 C ATOM 1690 C TYR A 184 33.157 -17.872 -10.269 1.00 24.42 C ATOM 1691 O TYR A 184 33.890 -17.872 -11.265 1.00 24.19 O ATOM 1692 CB TYR A 184 30.947 -19.067 -10.210 1.00 20.63 C ATOM 1693 CG TYR A 184 30.659 -18.321 -11.494 1.00 24.38 C ATOM 1694 CD1 TYR A 184 30.830 -18.931 -12.731 1.00 24.14 C ATOM 1695 CD2 TYR A 184 30.207 -17.005 -11.469 1.00 21.87 C ATOM 1696 CE1 TYR A 184 30.563 -18.251 -13.909 1.00 29.43 C ATOM 1697 CE2 TYR A 184 29.937 -16.317 -12.642 1.00 27.20 C ATOM 1698 CZ TYR A 184 30.117 -16.945 -13.858 1.00 32.80 C ATOM 1699 OH TYR A 184 29.850 -16.265 -15.025 1.00 34.89 O ATOM 1700 HH TYR A 184 30.030 -16.856 -15.799 1.00 0.00 H ATOM 1701 H TYR A 184 31.712 -19.449 -7.810 1.00 0.00 H ATOM 1702 N LEU A 185 32.965 -16.777 -9.534 1.00 21.83 N ATOM 1703 CA LEU A 185 33.618 -15.526 -9.909 1.00 22.15 C ATOM 1704 C LEU A 185 35.137 -15.639 -9.812 1.00 23.55 C ATOM 1705 O LEU A 185 35.860 -15.081 -10.646 1.00 25.65 O ATOM 1706 CB LEU A 185 33.094 -14.384 -9.036 1.00 20.80 C ATOM 1707 CG LEU A 185 31.616 -14.029 -9.228 1.00 20.10 C ATOM 1708 CD1 LEU A 185 31.137 -13.045 -8.165 1.00 20.69 C ATOM 1709 CD2 LEU A 185 31.372 -13.480 -10.632 1.00 23.16 C ATOM 1710 H LEU A 185 32.351 -16.813 -8.695 1.00 0.00 H ATOM 1711 N SER A 186 35.636 -16.374 -8.810 1.00 22.85 N ATOM 1712 CA SER A 186 37.078 -16.486 -8.597 1.00 28.29 C ATOM 1713 C SER A 186 37.763 -17.271 -9.706 1.00 34.21 C ATOM 1714 O SER A 186 38.936 -17.012 -10.012 1.00 34.05 O ATOM 1715 CB SER A 186 37.361 -17.153 -7.249 1.00 27.20 C ATOM 1716 OG SER A 186 37.157 -18.549 -7.352 1.00 28.09 O ATOM 1717 HG SER A 186 36.219 -18.726 -7.614 1.00 0.00 H ATOM 1718 H SER A 186 34.986 -16.875 -8.171 1.00 0.00 H ATOM 1719 N GLU A 187 37.055 -18.240 -10.309 1.00 32.63 N ATOM 1720 CA GLU A 187 37.593 -19.105 -11.360 1.00 30.35 C ATOM 1721 C GLU A 187 37.449 -18.469 -12.732 1.00 37.74 C ATOM 1722 O GLU A 187 37.719 -19.125 -13.746 1.00 42.19 O ATOM 1723 CB GLU A 187 36.922 -20.479 -11.342 1.00 31.84 C ATOM 1724 CG GLU A 187 37.185 -21.223 -10.094 1.00 33.77 C ATOM 1725 CD GLU A 187 36.167 -22.318 -9.923 1.00 38.86 C ATOM 1726 OE1 GLU A 187 35.205 -22.410 -10.732 1.00 40.56 O ATOM 1727 OE2 GLU A 187 36.322 -23.093 -8.973 1.00 38.33 O ATOM 1728 H GLU A 187 36.069 -18.384 -10.012 1.00 0.00 H ATOM 1729 N LYS A 188 37.085 -17.176 -12.766 1.00 35.41 N ATOM 1730 CA LYS A 188 36.611 -16.497 -13.986 1.00 40.33 C ATOM 1731 C LYS A 188 37.640 -15.568 -14.610 1.00 50.64 C ATOM 1732 O LYS A 188 38.721 -15.404 -14.088 1.00 56.70 O ATOM 1733 CB LYS A 188 35.342 -15.735 -13.618 1.00 43.75 C ATOM 1734 CG LYS A 188 34.589 -15.170 -14.737 1.00 48.43 C ATOM 1735 CD LYS A 188 33.499 -14.275 -14.119 1.00 42.93 C ATOM 1736 CE LYS A 188 32.678 -13.599 -15.176 1.00 43.32 C ATOM 1737 NZ LYS A 188 31.987 -14.659 -15.926 1.00 44.21 N ATOM 1738 HZ1 LYS A 188 32.691 -15.293 -16.356 1.00 0.00 H ATOM 1739 HZ2 LYS A 188 31.380 -15.201 -15.278 1.00 0.00 H ATOM 1740 HZ3 LYS A 188 31.404 -14.230 -16.673 1.00 0.00 H ATOM 1741 H LYS A 188 37.141 -16.625 -11.886 1.00 0.00 H TER 1742 LYS A 188 HETATM 1743 O HOH 1 30.720 14.824 16.845 1.00 40.58 O HETATM 1744 O HOH 2 36.967 -19.410 8.709 1.00 41.11 O HETATM 1745 O HOH 3 38.206 -7.927 -4.553 1.00 33.69 O HETATM 1746 O HOH 4 24.720 -23.312 -5.458 1.00 16.13 O HETATM 1747 O HOH 5 29.735 -8.934 -16.835 1.00 46.71 O HETATM 1748 O HOH 6 41.163 5.315 -5.067 1.00 41.63 O HETATM 1749 O HOH 7 21.222 -17.931 -6.555 1.00 33.18 O HETATM 1750 O HOH 8 35.867 -12.640 22.990 1.00 23.70 O HETATM 1751 O HOH 9 11.187 -21.276 4.100 1.00 25.27 O HETATM 1752 O HOH 10 27.082 -9.236 -0.423 1.00 16.40 O HETATM 1753 O HOH 11 21.864 -0.762 13.547 1.00 28.75 O HETATM 1754 O HOH 12 26.121 -5.064 -13.919 1.00 49.82 O HETATM 1755 O HOH 13 30.741 5.936 27.686 1.00 42.69 O HETATM 1756 O HOH 14 24.218 -6.966 0.696 1.00 33.76 O HETATM 1757 O HOH 15 27.950 -7.595 -2.461 1.00 19.43 O HETATM 1758 O HOH 16 28.529 -3.480 -9.237 1.00 39.51 O HETATM 1759 O HOH 17 19.999 -3.570 26.551 1.00 26.27 O HETATM 1760 O HOH 18 36.443 -16.718 7.854 1.00 28.07 O HETATM 1761 O HOH 19 33.936 -14.313 14.374 1.00 43.31 O HETATM 1762 O HOH 20 26.028 7.072 21.238 1.00 47.14 O HETATM 1763 O HOH 21 27.882 4.689 27.370 1.00 49.43 O HETATM 1764 O HOH 22 43.506 -9.679 4.790 1.00 44.13 O HETATM 1765 O HOH 23 51.004 4.192 19.893 1.00 38.21 O HETATM 1766 O HOH 24 33.965 -12.848 18.019 1.00 22.63 O HETATM 1767 O HOH 25 29.219 -6.438 23.818 1.00 16.78 O HETATM 1768 O HOH 26 29.390 2.014 9.888 1.00 14.52 O HETATM 1769 O HOH 27 21.535 -4.863 6.507 1.00 25.92 O HETATM 1770 O HOH 28 30.308 8.155 9.940 1.00 18.64 O HETATM 1771 O HOH 29 36.757 -11.594 3.870 1.00 17.66 O HETATM 1772 O HOH 30 27.218 0.615 -3.132 1.00 36.71 O HETATM 1773 O HOH 31 44.160 -7.338 1.646 1.00 42.36 O HETATM 1774 O HOH 32 32.945 -13.925 9.726 1.00 23.79 O HETATM 1775 O HOH 33 30.883 -23.577 2.147 1.00 26.04 O HETATM 1776 O HOH 34 37.125 1.684 28.429 1.00 29.68 O HETATM 1777 O HOH 35 35.681 1.614 4.706 1.00 19.90 O HETATM 1778 O HOH 36 16.867 -7.128 2.925 1.00 41.63 O HETATM 1779 O HOH 37 37.788 -23.810 -4.689 1.00 36.56 O HETATM 1780 O HOH 38 36.901 8.909 19.305 1.00 26.16 O HETATM 1781 O HOH 39 44.822 -9.196 11.393 1.00 25.54 O HETATM 1782 O HOH 40 31.263 -16.795 11.606 1.00 35.98 O HETATM 1783 O HOH 41 32.755 2.709 28.866 1.00 17.93 O HETATM 1784 O HOH 42 26.905 -26.557 -4.235 1.00 24.22 O HETATM 1785 O HOH 43 30.710 -11.840 6.007 1.00 15.26 O HETATM 1786 O HOH 44 26.040 -9.744 24.207 1.00 26.40 O HETATM 1787 O HOH 45 30.089 -10.385 2.394 1.00 17.38 O HETATM 1788 O HOH 46 46.734 -7.675 24.944 1.00 30.67 O HETATM 1789 O HOH 47 43.514 7.605 8.890 1.00 27.57 O HETATM 1790 O HOH 48 19.847 -2.761 17.157 1.00 35.50 O HETATM 1791 O HOH 49 35.562 -11.442 31.051 1.00 45.88 O HETATM 1792 O HOH 50 27.097 10.500 15.447 1.00 19.63 O HETATM 1793 O HOH 51 30.900 -1.084 28.541 1.00 21.75 O HETATM 1794 O HOH 52 38.417 -22.720 -7.279 1.00 31.12 O HETATM 1795 O HOH 53 25.070 -22.970 5.800 1.00 28.51 O HETATM 1796 O HOH 54 30.698 -13.827 7.916 1.00 15.46 O HETATM 1797 O HOH 55 37.789 6.030 11.657 1.00 25.30 O HETATM 1798 O HOH 56 31.692 -10.352 9.995 1.00 21.81 O HETATM 1799 O HOH 57 19.624 -4.884 14.181 1.00 31.80 O HETATM 1800 O HOH 58 27.482 -26.928 -1.577 1.00 19.83 O HETATM 1801 O HOH 59 27.680 -0.052 28.385 1.00 34.23 O HETATM 1802 O HOH 60 42.727 4.961 28.052 1.00 34.50 O HETATM 1803 O HOH 61 29.067 -3.868 25.084 1.00 23.14 O HETATM 1804 O HOH 62 40.085 -20.543 1.114 1.00 30.14 O HETATM 1805 O HOH 63 37.932 3.070 21.802 1.00 18.46 O HETATM 1806 O HOH 64 45.566 6.230 15.345 1.00 21.94 O HETATM 1807 O HOH 65 26.069 -6.363 -6.755 1.00 31.09 O HETATM 1808 O HOH 66 21.415 -12.691 18.290 1.00 28.28 O HETATM 1809 O HOH 67 43.177 -0.010 0.650 1.00 26.12 O HETATM 1810 O HOH 68 25.634 6.344 16.307 1.00 25.10 O HETATM 1811 O HOH 69 30.598 -22.296 -8.451 1.00 23.39 O HETATM 1812 O HOH 70 26.611 -7.134 24.522 1.00 23.00 O HETATM 1813 O HOH 71 35.967 -27.184 -8.404 1.00 34.56 O HETATM 1814 O HOH 72 39.337 -20.264 -7.280 1.00 28.83 O HETATM 1815 O HOH 73 30.394 -16.039 14.947 1.00 25.50 O HETATM 1816 O HOH 74 22.268 -14.400 16.246 1.00 19.91 O HETATM 1817 O HOH 75 34.268 7.470 24.962 1.00 19.83 O HETATM 1818 O HOH 76 42.243 6.641 2.409 1.00 28.85 O HETATM 1819 O HOH 77 25.495 -21.070 7.595 1.00 20.81 O HETATM 1820 O HOH 78 41.986 -6.943 29.281 1.00 22.84 O HETATM 1821 O HOH 79 34.148 -8.630 24.948 1.00 16.67 O HETATM 1822 O HOH 80 42.581 -12.140 24.753 1.00 40.90 O HETATM 1823 O HOH 81 40.847 -15.735 -8.428 1.00 43.01 O HETATM 1824 O HOH 82 28.424 -23.419 0.810 1.00 25.24 O HETATM 1825 O HOH 83 27.727 12.405 17.408 1.00 40.03 O HETATM 1826 O HOH 84 43.679 -12.445 12.780 1.00 46.02 O HETATM 1827 O HOH 85 44.961 9.530 18.437 1.00 42.58 O HETATM 1828 O HOH 86 36.036 -12.843 12.805 1.00 39.56 O HETATM 1829 O HOH 87 47.264 3.614 4.197 1.00 32.31 O HETATM 1830 O HOH 88 49.313 2.612 26.068 1.00 34.36 O HETATM 1831 O HOH 89 49.514 -2.251 21.031 1.00 22.70 O HETATM 1832 O HOH 90 38.476 -13.371 24.317 1.00 34.33 O HETATM 1833 O HOH 91 29.506 -9.244 8.975 1.00 16.84 O HETATM 1834 O HOH 92 25.940 -12.452 -17.781 1.00 49.12 O HETATM 1835 O HOH 93 32.054 -16.757 9.065 1.00 21.93 O HETATM 1836 O HOH 94 26.155 8.101 9.617 1.00 17.14 O HETATM 1837 O HOH 95 33.657 9.999 18.287 1.00 34.29 O HETATM 1838 O HOH 96 32.676 8.283 21.392 1.00 41.88 O HETATM 1839 O HOH 97 22.687 -23.637 -3.724 1.00 27.71 O HETATM 1840 O HOH 98 23.607 -14.708 -19.703 1.00 57.39 O HETATM 1841 O HOH 99 19.437 -23.943 -12.331 1.00 26.45 O HETATM 1842 O HOH 100 34.077 -19.091 -13.863 1.00 33.51 O HETATM 1843 O HOH 101 44.452 -14.425 -2.995 1.00 51.24 O HETATM 1844 O HOH 102 23.928 -0.835 3.849 1.00 33.78 O HETATM 1845 O HOH 103 40.643 -8.053 7.137 1.00 19.82 O HETATM 1846 O HOH 104 24.976 -20.978 -7.105 1.00 20.43 O HETATM 1847 O HOH 105 30.793 -2.239 26.078 1.00 20.33 O HETATM 1848 O HOH 106 34.113 -22.039 -13.394 1.00 34.72 O HETATM 1849 O HOH 107 39.557 -13.609 11.071 1.00 51.31 O HETATM 1850 O HOH 108 49.167 -0.089 8.723 1.00 32.19 O HETATM 1851 O HOH 109 13.820 -25.244 2.303 1.00 28.54 O HETATM 1852 O HOH 110 34.292 3.780 5.019 1.00 19.87 O HETATM 1853 O HOH 111 40.339 9.299 16.460 1.00 45.10 O HETATM 1854 O HOH 112 41.430 -13.097 14.876 1.00 23.71 O HETATM 1855 O HOH 113 41.879 4.553 23.625 1.00 24.57 O HETATM 1856 O HOH 114 35.446 -25.736 -10.511 1.00 35.39 O HETATM 1857 O HOH 115 24.195 0.673 20.410 1.00 36.56 O HETATM 1858 O HOH 116 49.947 6.715 9.192 1.00 26.18 O HETATM 1859 O HOH 117 28.430 -22.632 8.694 1.00 30.86 O HETATM 1860 O HOH 118 43.996 -13.447 18.780 1.00 37.89 O HETATM 1861 O HOH 119 27.434 8.263 16.974 1.00 35.19 O HETATM 1862 O HOH 120 16.845 -0.402 17.800 1.00 38.09 O HETATM 1863 O HOH 121 29.782 -0.512 -5.558 1.00 51.55 O HETATM 1864 O HOH 122 30.396 -8.456 4.004 1.00 19.83 O HETATM 1865 O HOH 123 17.102 -11.999 -1.794 1.00 53.30 O HETATM 1866 O HOH 124 49.744 -0.495 16.423 1.00 26.80 O HETATM 1867 O HOH 125 44.157 -3.999 31.234 1.00 31.14 O HETATM 1868 O HOH 126 36.301 -12.418 8.345 1.00 20.10 O HETATM 1869 O HOH 127 40.312 -9.624 9.155 1.00 28.53 O HETATM 1870 O HOH 128 44.700 -5.520 5.255 1.00 40.06 O HETATM 1871 O HOH 129 40.419 -12.112 6.997 1.00 50.54 O HETATM 1872 O HOH 130 42.950 8.842 17.047 1.00 32.85 O HETATM 1873 O HOH 131 31.603 -11.506 29.057 1.00 40.63 O HETATM 1874 O HOH 132 26.095 -5.289 -2.182 1.00 41.02 O HETATM 1875 O HOH 133 35.506 -12.653 27.324 1.00 43.45 O HETATM 1876 O HOH 134 33.078 4.545 30.621 1.00 42.82 O HETATM 1877 O HOH 135 43.258 -14.426 4.309 1.00 31.34 O HETATM 1878 O HOH 136 37.294 -26.101 -1.776 1.00 46.26 O HETATM 1879 O HOH 137 18.993 -7.432 -8.472 1.00 49.67 O HETATM 1880 O HOH 138 35.438 -11.136 11.505 1.00 34.66 O HETATM 1881 O HOH 139 47.463 -2.572 30.770 1.00 30.05 O HETATM 1882 O HOH 140 43.364 6.844 24.109 1.00 37.13 O HETATM 1883 O HOH 141 23.087 -19.409 -8.117 1.00 34.31 O HETATM 1884 O HOH 142 41.924 -13.656 17.624 1.00 29.62 O HETATM 1885 O HOH 143 51.727 3.973 6.466 1.00 31.04 O HETATM 1886 O HOH 144 33.526 5.056 -7.155 1.00 43.20 O HETATM 1887 O HOH 145 22.725 -2.370 6.024 1.00 34.77 O HETATM 1888 O HOH 146 29.247 -11.214 23.048 1.00 34.55 O HETATM 1889 O HOH 147 48.357 5.600 24.398 1.00 31.92 O HETATM 1890 O HOH 148 51.052 8.572 19.285 1.00 56.86 O HETATM 1891 O HOH 149 34.766 7.251 29.941 1.00 50.98 O HETATM 1892 O HOH 150 44.826 -10.548 23.423 1.00 43.60 O HETATM 1893 O HOH 151 21.720 -0.652 16.117 1.00 43.65 O HETATM 1894 O HOH 152 41.818 8.093 6.915 1.00 41.02 O HETATM 1895 O HOH 153 33.504 -8.789 11.490 1.00 21.47 O HETATM 1896 O HOH 154 51.457 1.196 7.947 1.00 37.04 O HETATM 1897 O HOH 155 20.156 -21.503 -17.942 1.00 43.27 O HETATM 1898 O HOH 156 31.599 -7.575 25.587 1.00 30.24 O HETATM 1899 O HOH 157 50.609 -0.545 18.890 1.00 31.37 O HETATM 1900 O HOH 158 45.625 3.662 2.092 1.00 29.70 O HETATM 1901 O HOH 159 24.059 5.054 2.875 1.00 38.59 O HETATM 1902 O HOH 160 34.533 -11.262 25.056 1.00 27.65 O HETATM 1903 O HOH 161 50.302 -3.464 16.184 1.00 44.67 O HETATM 1904 O HOH 162 48.242 6.056 4.674 1.00 45.75 O HETATM 1905 O HOH 163 48.171 -6.802 33.205 1.00 37.70 O HETATM 1906 O HOH 164 32.039 -5.432 27.430 1.00 48.99 O HETATM 1907 O HOH 165 38.117 5.109 25.933 1.00 30.32 O HETATM 1908 O HOH 166 27.928 -16.180 16.794 1.00 44.08 O HETATM 1909 O HOH 167 47.173 -6.153 9.294 1.00 49.03 O HETATM 1910 O HOH 168 35.652 -14.403 9.486 1.00 26.45 O HETATM 1911 O HOH 169 37.147 7.715 25.224 1.00 34.80 O HETATM 1912 O HOH 170 22.382 3.750 10.744 1.00 49.92 O HETATM 1913 O HOH 171 39.561 4.866 22.932 1.00 30.53 O HETATM 1914 O HOH 172 37.676 -12.695 5.992 1.00 19.77 O HETATM 1915 O HOH 173 28.896 -4.483 28.497 1.00 41.60 O HETATM 1916 O HOH 174 33.182 -14.055 20.694 1.00 36.50 O HETATM 1917 O HOH 175 18.254 -0.917 25.373 1.00 34.34 O HETATM 1918 O HOH 176 23.888 -6.172 -17.711 1.00 49.49 O HETATM 1919 O HOH 177 35.407 9.840 21.348 1.00 38.65 O HETATM 1920 O HOH 178 37.992 -15.540 5.929 1.00 27.06 O HETATM 1921 O HOH 179 24.195 -5.774 28.662 1.00 33.85 O HETATM 1922 O HOH 180 29.823 -9.177 6.453 1.00 30.52 O HETATM 1923 O HOH 181 48.684 -4.482 10.672 1.00 37.55 O HETATM 1924 O HOH 182 45.630 -7.894 -0.500 1.00 42.13 O HETATM 1925 O HOH 183 41.138 -16.377 18.336 1.00 45.72 O HETATM 1926 O HOH 184 43.493 -7.468 6.622 1.00 35.67 O HETATM 1927 O HOH 185 49.734 -2.539 9.073 1.00 33.64 O HETATM 1928 O HOH 186 37.884 -10.994 10.146 1.00 25.25 O HETATM 1929 C10 OZM A 187 19.073 -12.998 5.751 1.00 0.01 C HETATM 1930 C09 OZM A 187 19.449 -12.039 4.586 1.00 -0.04 C HETATM 1931 C17 OZM A 187 18.481 -11.715 3.576 1.00 -0.07 C HETATM 1932 C18 OZM A 187 18.820 -10.837 2.494 1.00 -0.07 C HETATM 1933 C19 OZM A 187 20.134 -10.282 2.416 1.00 -0.01 C HETATM 1934 C04 OZM A 187 20.790 -9.359 1.421 1.00 -0.02 C HETATM 1935 C03 OZM A 187 20.293 -8.693 0.234 1.00 0.02 C HETATM 1936 C02 OZM A 187 19.126 -7.684 0.490 1.00 0.04 C HETATM 1937 O01 OZM A 187 19.381 -6.501 0.947 1.00 -0.57 O HETATM 1938 O20 OZM A 187 17.901 -8.023 0.287 1.00 -0.57 O HETATM 1939 H6 OZM A 187 21.128 -8.142 -0.224 1.00 0.05 H HETATM 1940 H7 OZM A 187 19.933 -9.462 -0.465 1.00 0.05 H HETATM 1941 C05 OZM A 187 22.125 -9.214 1.976 1.00 0.08 C HETATM 1942 O06 OZM A 187 22.213 -9.966 3.104 1.00 -0.27 O HETATM 1943 C07 OZM A 187 21.080 -10.613 3.413 1.00 0.11 C HETATM 1944 C08 OZM A 187 20.739 -11.486 4.484 1.00 -0.03 C HETATM 1945 H9 OZM A 187 21.484 -11.729 5.233 1.00 0.05 H HETATM 1946 H8 OZM A 187 22.923 -8.603 1.557 1.00 0.09 H HETATM 1947 H13 OZM A 187 18.082 -10.595 1.738 1.00 0.05 H HETATM 1948 H5 OZM A 187 17.485 -12.138 3.632 1.00 0.05 H HETATM 1949 C11 OZM A 187 18.439 -14.324 5.292 1.00 -0.03 C HETATM 1950 C12 OZM A 187 17.169 -14.724 5.761 1.00 -0.06 C HETATM 1951 C13 OZM A 187 16.585 -15.947 5.330 1.00 -0.07 C HETATM 1952 C14 OZM A 187 17.273 -16.776 4.415 1.00 -0.07 C HETATM 1953 C15 OZM A 187 18.543 -16.379 3.934 1.00 -0.07 C HETATM 1954 C16 OZM A 187 19.115 -15.158 4.371 1.00 -0.06 C HETATM 1955 H12 OZM A 187 20.086 -14.859 3.993 1.00 0.06 H HETATM 1956 H4 OZM A 187 19.078 -17.008 3.232 1.00 0.06 H HETATM 1957 H11 OZM A 187 16.831 -17.709 4.084 1.00 0.06 H HETATM 1958 H3 OZM A 187 15.612 -16.244 5.704 1.00 0.06 H HETATM 1959 H10 OZM A 187 16.632 -14.091 6.458 1.00 0.06 H HETATM 1960 H1 OZM A 187 18.357 -12.481 6.407 1.00 0.06 H HETATM 1961 H2 OZM A 187 19.987 -13.230 6.317 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 263 262 288 CONECT 288 263 287 CONECT 1929 1930 1949 1960 1961 CONECT 1930 1929 1931 1944 CONECT 1931 1930 1932 1948 CONECT 1932 1931 1933 1947 CONECT 1933 1932 1934 1943 CONECT 1934 1933 1935 1941 CONECT 1935 1934 1936 1939 1940 CONECT 1936 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1935 CONECT 1940 1935 CONECT 1941 1934 1942 1946 CONECT 1942 1941 1943 CONECT 1943 1933 1942 1944 CONECT 1944 1930 1943 1945 CONECT 1945 1944 CONECT 1946 1941 CONECT 1947 1932 CONECT 1948 1931 CONECT 1949 1929 1950 1954 CONECT 1950 1949 1951 1959 CONECT 1951 1950 1952 1958 CONECT 1952 1951 1953 1957 CONECT 1953 1952 1954 1956 CONECT 1954 1949 1953 1955 CONECT 1955 1954 CONECT 1956 1953 CONECT 1957 1952 CONECT 1958 1951 CONECT 1959 1950 CONECT 1960 1929 CONECT 1961 1929 MASTER 0 0 0 0 0 0 0 0 1960 1 39 15 END
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Related entries of code: 6pvz
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Protein Sequence Similarity
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4wet
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189aa, >4WET_1|Chains... at 99%
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189aa, >4WEY_1|Chains... at 99%
4wf4
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189aa, >4WF4_1|Chains... at 99%
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PDBbind
188aa, >4ZIJ_1|Chains... at 99%
6pvy
RCSB PDB
PDBbind
189aa, >6PVY_1|Chains... at 99%
6poq
RCSB PDB
PDBbind
189aa, >6POQ_1|Chains... at 99%
6poi
RCSB PDB
PDBbind
189aa, >6POI_1|Chains... at 99%
6poh
RCSB PDB
PDBbind
189aa, >6POH_1|Chains... at 99%
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RCSB PDB
PDBbind
189aa, >6PML_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6pvz
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Thiol:disulfide interchange protein DsbA
Ligand Name
OZM
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Kd=341uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Molecules Vol. 24: pp. 3756
Ligand Properties
Formula
C
1
7
H
1
4
O
3
Molecular Weight
266.291
Exact Mass
266.094
No. of atoms
34
No. of bonds
36
Polar Surface Area
50.44
LOGP Value
5.15 (
Computed with XLOGP3
)
3.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
OC(=O)Cc1coc2c1ccc(c2)Cc1ccccc1
InChI String
InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0AEG4
Entrez Gene ID
NCBI Entrez Gene ID:
61755786
948353
ASD
Information of known allosteric effects of PDB entries
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