Browse entries in the PDBbind-CN Database
HEADER 6AOX_COMPLEX COMPND 6AOX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 PHE SER CYS ASN VAL ASP GLY GLY SER SER ILE GLY ALA SEQRES 2 A 109 GLY THR THR SER VAL TYR VAL ASN LEU ASP PRO VAL ILE SEQRES 3 A 109 GLN PRO GLY GLN ASN LEU VAL VAL ASP LEU SER GLN HIS SEQRES 4 A 109 ILE SER CYS TRP ASN ASP TYR GLY GLY TRP TYR ASP THR SEQRES 5 A 109 ASP HIS ILE ASN LEU VAL GLN GLY SER ALA PHE ALA GLY SEQRES 6 A 109 SER LEU GLN SER TYR LYS GLY SER LEU TYR TRP ASN ASN SEQRES 7 A 109 VAL THR TYR PRO PHE PRO LEU THR THR ASN THR ASN VAL SEQRES 8 A 109 LEU ASP ILE GLY ASP LYS THR PRO MET PRO LEU PRO LEU SEQRES 9 A 109 LYS LEU TYR ILE THR SEQRES 1 A 37 VAL ILE LYS ALA GLY GLU VAL ILE ALA ARG ILE HIS MET SEQRES 2 A 37 TYR LYS ILE ALA THR LEU GLY SER GLY ASN PRO ARG ASN SEQRES 3 A 37 PHE THR TRP ASN ILE ILE SER ASN ASN SER VAL HET TF A 0 51 SSBOND 1 CYS A 3 CYS A 42 ATOM 1 N PHE A 1 -9.439 4.179 -12.182 1.00 22.93 N ATOM 2 CA PHE A 1 -10.886 4.215 -12.541 1.00 25.71 C ATOM 3 C PHE A 1 -11.748 4.169 -11.288 1.00 27.26 C ATOM 4 O PHE A 1 -11.455 3.424 -10.352 1.00 30.43 O ATOM 5 CB PHE A 1 -11.247 3.056 -13.466 1.00 23.70 C ATOM 6 CG PHE A 1 -12.697 3.025 -13.853 1.00 24.74 C ATOM 7 CD1 PHE A 1 -13.561 2.108 -13.281 1.00 23.57 C ATOM 8 CD2 PHE A 1 -13.198 3.921 -14.782 1.00 24.85 C ATOM 9 CE1 PHE A 1 -14.898 2.081 -13.634 1.00 19.79 C ATOM 10 CE2 PHE A 1 -14.532 3.899 -15.136 1.00 24.41 C ATOM 11 CZ PHE A 1 -15.383 2.975 -14.562 1.00 19.91 C ATOM 12 HN3 PHE A 1 -9.234 3.302 -11.662 1.00 0.00 H ATOM 13 HN2 PHE A 1 -9.211 4.999 -11.584 1.00 0.00 H ATOM 14 HN1 PHE A 1 -8.867 4.211 -13.050 1.00 0.00 H ATOM 15 N SER A 2 -12.814 4.964 -11.278 1.00 28.70 N ATOM 16 CA SER A 2 -13.671 5.070 -10.105 1.00 31.55 C ATOM 17 C SER A 2 -15.145 5.187 -10.464 1.00 27.20 C ATOM 18 O SER A 2 -15.506 5.686 -11.530 1.00 28.17 O ATOM 19 CB SER A 2 -13.259 6.281 -9.267 1.00 34.96 C ATOM 20 OG SER A 2 -11.893 6.212 -8.901 1.00 29.93 O ATOM 21 HG SER A 2 -11.334 6.189 -9.718 1.00 0.00 H ATOM 22 H SER A 2 -13.041 5.522 -12.126 1.00 0.00 H ATOM 23 N CYS A 3 -15.984 4.710 -9.551 1.00 25.09 N ATOM 24 CA CYS A 3 -17.430 4.825 -9.664 1.00 30.14 C ATOM 25 C CYS A 3 -17.987 5.190 -8.299 1.00 31.83 C ATOM 26 O CYS A 3 -17.311 5.019 -7.285 1.00 32.42 O ATOM 27 CB CYS A 3 -18.062 3.520 -10.152 1.00 29.98 C ATOM 28 SG CYS A 3 -17.539 2.964 -11.782 1.00 27.87 S ATOM 29 H CYS A 3 -15.589 4.232 -8.716 1.00 0.00 H ATOM 30 N ASN A 4 -19.212 5.698 -8.269 1.00 31.63 N ATOM 31 CA ASN A 4 -19.910 5.878 -7.006 1.00 35.19 C ATOM 32 C ASN A 4 -21.413 5.707 -7.183 1.00 35.33 C ATOM 33 O ASN A 4 -21.930 5.781 -8.299 1.00 34.48 O ATOM 34 CB ASN A 4 -19.567 7.245 -6.394 1.00 36.71 C ATOM 35 CG ASN A 4 -20.219 8.412 -7.120 1.00 43.35 C ATOM 36 OD1 ASN A 4 -20.777 8.267 -8.208 1.00 42.34 O ATOM 37 ND2 ASN A 4 -20.143 9.590 -6.510 1.00 44.39 N ATOM 38 HD22 ASN A 4 -19.662 9.670 -5.591 1.00 0.00 H ATOM 39 HD21 ASN A 4 -20.564 10.432 -6.951 1.00 0.00 H ATOM 40 H ASN A 4 -19.678 5.970 -9.158 1.00 0.00 H ATOM 41 N VAL A 5 -22.104 5.456 -6.076 1.00 37.70 N ATOM 42 CA VAL A 5 -23.533 5.183 -6.111 1.00 34.12 C ATOM 43 C VAL A 5 -24.264 6.242 -5.304 1.00 42.41 C ATOM 44 O VAL A 5 -24.004 6.410 -4.110 1.00 32.77 O ATOM 45 CB VAL A 5 -23.865 3.785 -5.558 1.00 32.05 C ATOM 46 CG1 VAL A 5 -25.371 3.530 -5.608 1.00 38.50 C ATOM 47 CG2 VAL A 5 -23.121 2.716 -6.335 1.00 29.95 C ATOM 48 H VAL A 5 -21.611 5.455 -5.161 1.00 0.00 H ATOM 49 N ASP A 6 -25.179 6.946 -5.966 1.00 37.92 N ATOM 50 CA ASP A 6 -25.919 8.037 -5.345 1.00 40.07 C ATOM 51 C ASP A 6 -24.967 9.013 -4.663 1.00 47.99 C ATOM 52 O ASP A 6 -25.112 9.312 -3.481 1.00 50.07 O ATOM 53 CB ASP A 6 -26.933 7.486 -4.342 1.00 37.99 C ATOM 54 CG ASP A 6 -28.018 6.653 -5.005 1.00 41.46 C ATOM 55 OD1 ASP A 6 -28.343 6.918 -6.182 1.00 40.39 O ATOM 56 OD2 ASP A 6 -28.544 5.728 -4.350 1.00 39.80 O ATOM 57 H ASP A 6 -25.372 6.710 -6.960 1.00 0.00 H ATOM 58 N GLY A 7 -23.967 9.472 -5.409 1.00 51.89 N ATOM 59 CA GLY A 7 -23.026 10.458 -4.908 1.00 50.00 C ATOM 60 C GLY A 7 -22.233 9.956 -3.721 1.00 39.55 C ATOM 61 O GLY A 7 -21.658 10.742 -2.970 1.00 43.66 O ATOM 62 H GLY A 7 -23.855 9.115 -6.379 1.00 0.00 H ATOM 63 N GLY A 8 -22.182 8.641 -3.551 1.00 46.36 N ATOM 64 CA GLY A 8 -21.521 8.068 -2.396 1.00 50.03 C ATOM 65 C GLY A 8 -20.015 8.169 -2.527 1.00 41.32 C ATOM 66 O GLY A 8 -19.503 8.913 -3.364 1.00 43.82 O ATOM 67 H GLY A 8 -22.622 8.014 -4.255 1.00 0.00 H ATOM 68 N SER A 9 -19.301 7.423 -1.693 1.00 44.13 N ATOM 69 CA SER A 9 -17.846 7.453 -1.707 1.00 43.94 C ATOM 70 C SER A 9 -17.314 6.638 -2.882 1.00 36.02 C ATOM 71 O SER A 9 -17.992 5.740 -3.383 1.00 35.76 O ATOM 72 CB SER A 9 -17.289 6.923 -0.386 1.00 45.74 C ATOM 73 OG SER A 9 -17.642 5.565 -0.193 1.00 56.00 O ATOM 74 HG SER A 9 -17.270 5.248 0.668 1.00 0.00 H ATOM 75 H SER A 9 -19.791 6.804 -1.016 1.00 0.00 H ATOM 76 N SER A 10 -16.104 6.969 -3.324 1.00 35.26 N ATOM 77 CA SER A 10 -15.526 6.368 -4.521 1.00 36.70 C ATOM 78 C SER A 10 -15.330 4.864 -4.382 1.00 34.05 C ATOM 79 O SER A 10 -14.944 4.366 -3.321 1.00 26.45 O ATOM 80 CB SER A 10 -14.190 7.033 -4.853 1.00 34.11 C ATOM 81 OG SER A 10 -14.365 8.414 -5.111 1.00 51.48 O ATOM 82 HG SER A 10 -14.749 8.852 -4.311 1.00 0.00 H ATOM 83 H SER A 10 -15.553 7.678 -2.800 1.00 0.00 H ATOM 84 N ILE A 11 -15.599 4.158 -5.477 1.00 32.69 N ATOM 85 CA ILE A 11 -15.481 2.707 -5.543 1.00 31.53 C ATOM 86 C ILE A 11 -14.487 2.323 -6.636 1.00 31.06 C ATOM 87 O ILE A 11 -14.641 2.728 -7.788 1.00 26.70 O ATOM 88 CB ILE A 11 -16.854 2.054 -5.824 1.00 33.53 C ATOM 89 CG1 ILE A 11 -17.882 2.513 -4.785 1.00 37.57 C ATOM 90 CG2 ILE A 11 -16.750 0.535 -5.807 1.00 30.51 C ATOM 91 CD1 ILE A 11 -19.321 2.326 -5.214 1.00 35.27 C ATOM 92 H ILE A 11 -15.909 4.667 -6.329 1.00 0.00 H ATOM 93 N GLY A 12 -13.477 1.535 -6.274 1.00 35.39 N ATOM 94 CA GLY A 12 -12.430 1.149 -7.206 1.00 33.04 C ATOM 95 C GLY A 12 -12.583 -0.278 -7.701 1.00 27.93 C ATOM 96 O GLY A 12 -11.999 -0.659 -8.714 1.00 28.14 O ATOM 97 H GLY A 12 -13.436 1.185 -5.295 1.00 0.00 H ATOM 98 N ALA A 13 -13.400 -1.052 -6.993 1.00 28.63 N ATOM 99 CA ALA A 13 -13.706 -2.432 -7.356 1.00 32.05 C ATOM 100 C ALA A 13 -14.669 -3.004 -6.330 1.00 28.62 C ATOM 101 O ALA A 13 -14.988 -2.347 -5.340 1.00 28.65 O ATOM 102 CB ALA A 13 -12.441 -3.284 -7.420 1.00 26.19 C ATOM 103 H ALA A 13 -13.842 -0.655 -6.140 1.00 0.00 H ATOM 104 N GLY A 14 -15.133 -4.226 -6.570 1.00 31.66 N ATOM 105 CA GLY A 14 -15.874 -4.965 -5.565 1.00 28.94 C ATOM 106 C GLY A 14 -17.376 -4.948 -5.751 1.00 28.64 C ATOM 107 O GLY A 14 -17.889 -4.542 -6.795 1.00 28.23 O ATOM 108 H GLY A 14 -14.961 -4.662 -7.498 1.00 0.00 H ATOM 109 N THR A 15 -18.078 -5.395 -4.714 1.00 30.43 N ATOM 110 CA THR A 15 -19.529 -5.512 -4.739 1.00 28.59 C ATOM 111 C THR A 15 -20.193 -4.344 -4.025 1.00 29.14 C ATOM 112 O THR A 15 -19.867 -4.037 -2.878 1.00 35.81 O ATOM 113 CB THR A 15 -19.985 -6.829 -4.084 1.00 28.90 C ATOM 114 OG1 THR A 15 -19.418 -7.940 -4.790 1.00 26.55 O ATOM 115 CG2 THR A 15 -21.504 -6.949 -4.094 1.00 21.80 C ATOM 116 HG1 THR A 15 -19.713 -8.784 -4.366 1.00 0.00 H ATOM 117 H THR A 15 -17.570 -5.672 -3.850 1.00 0.00 H ATOM 118 N THR A 16 -21.127 -3.701 -4.719 1.00 29.90 N ATOM 119 CA THR A 16 -21.893 -2.599 -4.154 1.00 29.85 C ATOM 120 C THR A 16 -23.378 -2.816 -4.397 1.00 32.58 C ATOM 121 O THR A 16 -23.786 -3.235 -5.481 1.00 32.27 O ATOM 122 CB THR A 16 -21.474 -1.248 -4.762 1.00 33.41 C ATOM 123 OG1 THR A 16 -20.050 -1.111 -4.693 1.00 34.20 O ATOM 124 CG2 THR A 16 -22.132 -0.090 -4.022 1.00 33.19 C ATOM 125 HG1 THR A 16 -19.761 -1.150 -3.747 1.00 0.00 H ATOM 126 H THR A 16 -21.317 -3.995 -5.698 1.00 0.00 H ATOM 127 N SER A 17 -24.187 -2.529 -3.385 1.00 31.53 N ATOM 128 CA SER A 17 -25.632 -2.577 -3.538 1.00 38.24 C ATOM 129 C SER A 17 -26.109 -1.294 -4.209 1.00 36.89 C ATOM 130 O SER A 17 -25.639 -0.204 -3.876 1.00 30.41 O ATOM 131 CB SER A 17 -26.317 -2.762 -2.184 1.00 35.35 C ATOM 132 OG SER A 17 -25.973 -4.003 -1.597 1.00 45.20 O ATOM 133 HG SER A 17 -26.431 -4.092 -0.724 1.00 0.00 H ATOM 134 H SER A 17 -23.780 -2.265 -2.465 1.00 0.00 H ATOM 135 N VAL A 18 -27.035 -1.431 -5.155 1.00 34.82 N ATOM 136 CA VAL A 18 -27.626 -0.282 -5.835 1.00 39.89 C ATOM 137 C VAL A 18 -29.138 -0.320 -5.677 1.00 41.49 C ATOM 138 O VAL A 18 -29.805 -1.259 -6.113 1.00 36.08 O ATOM 139 CB VAL A 18 -27.251 -0.245 -7.327 1.00 42.59 C ATOM 140 CG1 VAL A 18 -27.936 0.924 -8.029 1.00 41.21 C ATOM 141 CG2 VAL A 18 -25.739 -0.154 -7.485 1.00 35.93 C ATOM 142 H VAL A 18 -27.348 -2.387 -5.418 1.00 0.00 H ATOM 143 N TYR A 19 -29.660 0.724 -5.049 1.00 41.98 N ATOM 144 CA TYR A 19 -31.059 0.794 -4.648 1.00 51.06 C ATOM 145 C TYR A 19 -31.911 1.668 -5.554 1.00 42.84 C ATOM 146 O TYR A 19 -31.570 2.816 -5.835 1.00 46.35 O ATOM 147 CB TYR A 19 -31.113 1.263 -3.203 1.00 50.38 C ATOM 148 CG TYR A 19 -30.533 0.218 -2.290 1.00 60.17 C ATOM 149 CD1 TYR A 19 -31.333 -0.787 -1.767 1.00 61.69 C ATOM 150 CD2 TYR A 19 -29.171 0.165 -2.040 1.00 63.10 C ATOM 151 CE1 TYR A 19 -30.810 -1.763 -0.953 1.00 60.66 C ATOM 152 CE2 TYR A 19 -28.636 -0.817 -1.238 1.00 66.70 C ATOM 153 CZ TYR A 19 -29.461 -1.782 -0.697 1.00 68.34 C ATOM 154 OH TYR A 19 -28.937 -2.766 0.109 1.00 71.83 O ATOM 155 HH TYR A 19 -28.265 -3.285 -0.400 1.00 0.00 H ATOM 156 H TYR A 19 -29.042 1.532 -4.832 1.00 0.00 H ATOM 157 N VAL A 20 -33.030 1.100 -5.993 1.00 45.71 N ATOM 158 CA VAL A 20 -33.898 1.734 -6.974 1.00 56.21 C ATOM 159 C VAL A 20 -35.351 1.836 -6.511 1.00 55.88 C ATOM 160 O VAL A 20 -35.880 0.917 -5.884 1.00 49.10 O ATOM 161 CB VAL A 20 -33.852 0.951 -8.305 1.00 51.22 C ATOM 162 CG1 VAL A 20 -32.450 0.971 -8.879 1.00 44.68 C ATOM 163 CG2 VAL A 20 -34.310 -0.491 -8.106 1.00 54.21 C ATOM 164 H VAL A 20 -33.295 0.166 -5.621 1.00 0.00 H ATOM 165 N ASN A 21 -35.985 2.965 -6.822 1.00 55.06 N ATOM 166 CA ASN A 21 -37.411 3.151 -6.565 1.00 48.93 C ATOM 167 C ASN A 21 -38.210 2.807 -7.815 1.00 48.89 C ATOM 168 O ASN A 21 -38.094 3.488 -8.832 1.00 54.85 O ATOM 169 CB ASN A 21 -37.717 4.590 -6.136 1.00 44.55 C ATOM 170 CG ASN A 21 -37.002 4.988 -4.863 1.00 53.49 C ATOM 171 OD1 ASN A 21 -37.510 4.778 -3.762 1.00 49.03 O ATOM 172 ND2 ASN A 21 -35.820 5.578 -5.007 1.00 57.25 N ATOM 173 HD22 ASN A 21 -35.430 5.735 -5.958 1.00 0.00 H ATOM 174 HD21 ASN A 21 -35.285 5.883 -4.169 1.00 0.00 H ATOM 175 H ASN A 21 -35.448 3.739 -7.262 1.00 0.00 H ATOM 176 N LEU A 22 -39.008 1.746 -7.738 1.00 48.03 N ATOM 177 CA LEU A 22 -39.751 1.252 -8.894 1.00 54.39 C ATOM 178 C LEU A 22 -41.250 1.512 -8.794 1.00 55.30 C ATOM 179 O LEU A 22 -41.792 1.697 -7.702 1.00 47.62 O ATOM 180 CB LEU A 22 -39.497 -0.247 -9.064 1.00 52.92 C ATOM 181 CG LEU A 22 -38.020 -0.614 -9.219 1.00 64.74 C ATOM 182 CD1 LEU A 22 -37.838 -2.121 -9.317 1.00 64.45 C ATOM 183 CD2 LEU A 22 -37.427 0.081 -10.442 1.00 52.85 C ATOM 184 H LEU A 22 -39.106 1.253 -6.827 1.00 0.00 H ATOM 185 N ASP A 23 -41.911 1.528 -9.948 1.00 56.26 N ATOM 186 CA ASP A 23 -43.365 1.592 -10.000 1.00 58.20 C ATOM 187 C ASP A 23 -43.946 0.400 -9.248 1.00 57.93 C ATOM 188 O ASP A 23 -43.775 -0.732 -9.686 1.00 64.12 O ATOM 189 CB ASP A 23 -43.860 1.591 -11.450 1.00 56.05 C ATOM 190 CG ASP A 23 -45.342 1.932 -11.562 1.00 58.29 C ATOM 191 OD1 ASP A 23 -46.041 1.919 -10.529 1.00 60.92 O ATOM 192 OD2 ASP A 23 -45.826 2.184 -12.684 1.00 57.30 O ATOM 193 H ASP A 23 -41.374 1.494 -10.838 1.00 0.00 H ATOM 194 N PRO A 24 -44.642 0.646 -8.125 1.00 62.25 N ATOM 195 CA PRO A 24 -45.075 -0.452 -7.252 1.00 60.39 C ATOM 196 C PRO A 24 -46.205 -1.311 -7.822 1.00 57.94 C ATOM 197 O PRO A 24 -46.608 -2.271 -7.162 1.00 61.43 O ATOM 198 CB PRO A 24 -45.539 0.281 -5.989 1.00 58.08 C ATOM 199 CG PRO A 24 -46.017 1.584 -6.496 1.00 56.04 C ATOM 200 CD PRO A 24 -45.013 1.953 -7.549 1.00 53.92 C ATOM 201 N VAL A 25 -46.703 -0.988 -9.016 1.00 63.49 N ATOM 202 CA VAL A 25 -47.811 -1.745 -9.598 1.00 66.34 C ATOM 203 C VAL A 25 -47.678 -1.963 -11.108 1.00 65.61 C ATOM 204 O VAL A 25 -47.308 -1.055 -11.855 1.00 70.46 O ATOM 205 CB VAL A 25 -49.158 -1.021 -9.315 1.00 71.10 C ATOM 206 CG1 VAL A 25 -49.338 -0.776 -7.825 1.00 68.64 C ATOM 207 CG2 VAL A 25 -49.244 0.305 -10.074 1.00 56.90 C ATOM 208 H VAL A 25 -46.298 -0.187 -9.541 1.00 0.00 H ATOM 209 N ILE A 26 -47.961 -3.192 -11.539 1.00 60.76 N ATOM 210 CA ILE A 26 -47.891 -3.561 -12.951 1.00 68.48 C ATOM 211 C ILE A 26 -48.926 -4.609 -13.343 1.00 75.55 C ATOM 212 O ILE A 26 -49.368 -5.403 -12.508 1.00 74.89 O ATOM 213 CB ILE A 26 -46.513 -4.140 -13.343 1.00 73.44 C ATOM 214 CG1 ILE A 26 -46.139 -5.322 -12.441 1.00 73.23 C ATOM 215 CG2 ILE A 26 -45.447 -3.059 -13.313 1.00 71.01 C ATOM 216 CD1 ILE A 26 -45.191 -6.301 -13.102 1.00 66.29 C ATOM 217 H ILE A 26 -48.242 -3.914 -10.845 1.00 0.00 H ATOM 218 N GLN A 27 -49.324 -4.587 -14.610 1.00 75.60 N ATOM 219 CA GLN A 27 -50.077 -5.686 -15.194 1.00 71.55 C ATOM 220 C GLN A 27 -49.070 -6.462 -16.042 1.00 80.04 C ATOM 221 O GLN A 27 -48.267 -5.847 -16.746 1.00 77.59 O ATOM 222 CB GLN A 27 -51.251 -5.185 -16.032 1.00 73.47 C ATOM 223 H GLN A 27 -49.091 -3.763 -15.200 1.00 0.00 H ATOM 224 N PRO A 28 -49.093 -7.805 -15.980 1.00 91.78 N ATOM 225 CA PRO A 28 -48.022 -8.522 -16.685 1.00 93.68 C ATOM 226 C PRO A 28 -48.089 -8.308 -18.197 1.00 83.68 C ATOM 227 O PRO A 28 -49.158 -8.001 -18.728 1.00 79.76 O ATOM 228 CB PRO A 28 -48.248 -9.992 -16.303 1.00 96.08 C ATOM 229 CG PRO A 28 -49.589 -10.067 -15.643 1.00107.29 C ATOM 230 CD PRO A 28 -50.194 -8.696 -15.578 1.00 93.89 C ATOM 231 N GLY A 29 -46.957 -8.477 -18.874 1.00 85.53 N ATOM 232 CA GLY A 29 -46.829 -8.117 -20.276 1.00 85.19 C ATOM 233 C GLY A 29 -46.365 -6.679 -20.445 1.00 83.17 C ATOM 234 O GLY A 29 -45.775 -6.324 -21.466 1.00 91.33 O ATOM 235 H GLY A 29 -46.134 -8.881 -18.383 1.00 0.00 H ATOM 236 N GLN A 30 -46.640 -5.850 -19.441 1.00 73.59 N ATOM 237 CA GLN A 30 -46.123 -4.484 -19.386 1.00 69.24 C ATOM 238 C GLN A 30 -44.808 -4.500 -18.617 1.00 66.33 C ATOM 239 O GLN A 30 -44.767 -4.951 -17.472 1.00 62.62 O ATOM 240 CB GLN A 30 -47.126 -3.543 -18.719 1.00 67.07 C ATOM 241 H GLN A 30 -47.246 -6.187 -18.666 1.00 0.00 H ATOM 242 N ASN A 31 -43.736 -4.005 -19.232 1.00 66.67 N ATOM 243 CA ASN A 31 -42.409 -4.177 -18.650 1.00 56.73 C ATOM 244 C ASN A 31 -41.969 -3.029 -17.745 1.00 48.29 C ATOM 245 O ASN A 31 -42.397 -1.883 -17.894 1.00 55.31 O ATOM 246 CB ASN A 31 -41.364 -4.395 -19.757 1.00 53.82 C ATOM 247 CG ASN A 31 -40.910 -3.106 -20.425 1.00 55.70 C ATOM 248 OD1 ASN A 31 -41.591 -2.081 -20.389 1.00 61.16 O ATOM 249 ND2 ASN A 31 -39.715 -3.148 -21.004 1.00 51.28 N ATOM 250 HD22 ASN A 31 -39.172 -4.035 -21.012 1.00 0.00 H ATOM 251 HD21 ASN A 31 -39.322 -2.294 -21.449 1.00 0.00 H ATOM 252 H ASN A 31 -43.845 -3.494 -20.131 1.00 0.00 H ATOM 253 N LEU A 32 -41.141 -3.382 -16.769 1.00 47.09 N ATOM 254 CA LEU A 32 -40.636 -2.450 -15.775 1.00 48.66 C ATOM 255 C LEU A 32 -39.322 -1.839 -16.251 1.00 49.00 C ATOM 256 O LEU A 32 -38.529 -2.517 -16.901 1.00 46.80 O ATOM 257 CB LEU A 32 -40.450 -3.171 -14.441 1.00 54.68 C ATOM 258 CG LEU A 32 -40.360 -2.331 -13.169 1.00 52.65 C ATOM 259 CD1 LEU A 32 -41.624 -1.525 -12.931 1.00 65.46 C ATOM 260 CD2 LEU A 32 -40.104 -3.256 -11.999 1.00 55.76 C ATOM 261 H LEU A 32 -40.839 -4.375 -16.713 1.00 0.00 H ATOM 262 N VAL A 33 -39.098 -0.565 -15.939 1.00 46.18 N ATOM 263 CA VAL A 33 -37.852 0.101 -16.305 1.00 40.41 C ATOM 264 C VAL A 33 -37.029 0.357 -15.054 1.00 44.66 C ATOM 265 O VAL A 33 -37.487 1.029 -14.129 1.00 40.71 O ATOM 266 CB VAL A 33 -38.094 1.449 -17.024 1.00 41.27 C ATOM 267 CG1 VAL A 33 -36.762 2.099 -17.408 1.00 40.54 C ATOM 268 CG2 VAL A 33 -38.953 1.259 -18.259 1.00 35.28 C ATOM 269 H VAL A 33 -39.827 -0.032 -15.423 1.00 0.00 H ATOM 270 N VAL A 34 -35.814 -0.182 -15.033 1.00 40.29 N ATOM 271 CA VAL A 34 -34.869 0.095 -13.960 1.00 33.25 C ATOM 272 C VAL A 34 -33.729 0.914 -14.542 1.00 38.28 C ATOM 273 O VAL A 34 -32.774 0.370 -15.099 1.00 37.59 O ATOM 274 CB VAL A 34 -34.316 -1.190 -13.313 1.00 36.07 C ATOM 275 CG1 VAL A 34 -33.440 -0.841 -12.114 1.00 38.79 C ATOM 276 CG2 VAL A 34 -35.450 -2.113 -12.898 1.00 41.87 C ATOM 277 H VAL A 34 -35.530 -0.819 -15.804 1.00 0.00 H ATOM 278 N ASP A 35 -33.843 2.231 -14.416 1.00 36.09 N ATOM 279 CA ASP A 35 -32.825 3.133 -14.924 1.00 35.40 C ATOM 280 C ASP A 35 -31.706 3.249 -13.896 1.00 35.41 C ATOM 281 O ASP A 35 -31.834 3.954 -12.895 1.00 36.17 O ATOM 282 CB ASP A 35 -33.432 4.503 -15.235 1.00 36.56 C ATOM 283 CG ASP A 35 -32.489 5.400 -16.010 1.00 36.80 C ATOM 284 OD1 ASP A 35 -31.323 5.006 -16.223 1.00 38.28 O ATOM 285 OD2 ASP A 35 -32.914 6.505 -16.406 1.00 43.49 O ATOM 286 H ASP A 35 -34.681 2.625 -13.943 1.00 0.00 H ATOM 287 N LEU A 36 -30.608 2.549 -14.158 1.00 40.30 N ATOM 288 CA LEU A 36 -29.468 2.526 -13.249 1.00 34.26 C ATOM 289 C LEU A 36 -28.543 3.709 -13.504 1.00 33.38 C ATOM 290 O LEU A 36 -27.652 3.996 -12.703 1.00 28.65 O ATOM 291 CB LEU A 36 -28.704 1.207 -13.394 1.00 30.06 C ATOM 292 CG LEU A 36 -29.464 -0.058 -12.982 1.00 34.95 C ATOM 293 CD1 LEU A 36 -28.638 -1.297 -13.264 1.00 41.20 C ATOM 294 CD2 LEU A 36 -29.836 -0.008 -11.505 1.00 35.83 C ATOM 295 H LEU A 36 -30.560 2.000 -15.040 1.00 0.00 H ATOM 296 N SER A 37 -28.754 4.392 -14.624 1.00 29.80 N ATOM 297 CA SER A 37 -27.953 5.559 -14.961 1.00 28.88 C ATOM 298 C SER A 37 -28.139 6.663 -13.922 1.00 33.92 C ATOM 299 O SER A 37 -27.275 7.521 -13.755 1.00 36.07 O ATOM 300 CB SER A 37 -28.324 6.079 -16.350 1.00 30.20 C ATOM 301 OG SER A 37 -29.543 6.800 -16.315 1.00 37.17 O ATOM 302 HG SER A 37 -30.267 6.206 -15.994 1.00 0.00 H ATOM 303 H SER A 37 -29.507 4.086 -15.273 1.00 0.00 H ATOM 304 N GLN A 38 -29.261 6.625 -13.212 1.00 30.83 N ATOM 305 CA GLN A 38 -29.576 7.653 -12.226 1.00 35.52 C ATOM 306 C GLN A 38 -28.901 7.398 -10.881 1.00 38.96 C ATOM 307 O GLN A 38 -28.911 8.267 -10.008 1.00 39.44 O ATOM 308 CB GLN A 38 -31.091 7.745 -12.030 1.00 33.23 C ATOM 309 CG GLN A 38 -31.854 8.069 -13.303 1.00 32.04 C ATOM 310 CD GLN A 38 -33.355 7.961 -13.133 1.00 36.55 C ATOM 311 OE1 GLN A 38 -33.846 7.490 -12.107 1.00 38.95 O ATOM 312 NE2 GLN A 38 -34.093 8.376 -14.154 1.00 47.31 N ATOM 313 HE22 GLN A 38 -33.635 8.767 -15.002 1.00 0.00 H ATOM 314 HE21 GLN A 38 -35.130 8.310 -14.107 1.00 0.00 H ATOM 315 H GLN A 38 -29.931 5.844 -13.363 1.00 0.00 H ATOM 316 N HIS A 39 -28.314 6.214 -10.716 1.00 32.38 N ATOM 317 CA HIS A 39 -27.712 5.832 -9.441 1.00 38.19 C ATOM 318 C HIS A 39 -26.205 5.626 -9.525 1.00 37.36 C ATOM 319 O HIS A 39 -25.484 5.943 -8.581 1.00 39.14 O ATOM 320 CB HIS A 39 -28.358 4.549 -8.916 1.00 35.99 C ATOM 321 CG HIS A 39 -29.842 4.641 -8.754 1.00 43.16 C ATOM 322 ND1 HIS A 39 -30.436 5.276 -7.684 1.00 41.53 N ATOM 323 CD2 HIS A 39 -30.855 4.178 -9.525 1.00 42.99 C ATOM 324 CE1 HIS A 39 -31.749 5.202 -7.804 1.00 49.09 C ATOM 325 NE2 HIS A 39 -32.030 4.539 -8.912 1.00 42.63 N ATOM 326 H HIS A 39 -28.284 5.546 -11.513 1.00 0.00 H ATOM 327 N ILE A 40 -25.730 5.115 -10.656 1.00 32.43 N ATOM 328 CA ILE A 40 -24.320 4.766 -10.796 1.00 31.23 C ATOM 329 C ILE A 40 -23.630 5.727 -11.755 1.00 27.79 C ATOM 330 O ILE A 40 -24.068 5.903 -12.892 1.00 33.69 O ATOM 331 CB ILE A 40 -24.141 3.318 -11.306 1.00 30.49 C ATOM 332 CG1 ILE A 40 -25.107 2.374 -10.581 1.00 35.12 C ATOM 333 CG2 ILE A 40 -22.687 2.878 -11.146 1.00 27.67 C ATOM 334 CD1 ILE A 40 -25.061 0.938 -11.066 1.00 32.76 C ATOM 335 H ILE A 40 -26.376 4.961 -11.457 1.00 0.00 H ATOM 336 N SER A 41 -22.546 6.339 -11.287 1.00 33.56 N ATOM 337 CA SER A 41 -21.744 7.241 -12.105 1.00 34.65 C ATOM 338 C SER A 41 -20.273 6.857 -12.016 1.00 30.64 C ATOM 339 O SER A 41 -19.814 6.385 -10.979 1.00 28.54 O ATOM 340 CB SER A 41 -21.942 8.693 -11.664 1.00 26.75 C ATOM 341 OG SER A 41 -23.233 9.157 -12.016 1.00 32.05 O ATOM 342 HG SER A 41 -23.917 8.594 -11.574 1.00 0.00 H ATOM 343 H SER A 41 -22.260 6.168 -10.302 1.00 0.00 H ATOM 344 N CYS A 42 -19.545 7.052 -13.112 1.00 27.15 N ATOM 345 CA CYS A 42 -18.139 6.664 -13.187 1.00 31.55 C ATOM 346 C CYS A 42 -17.310 7.703 -13.935 1.00 29.37 C ATOM 347 O CYS A 42 -17.833 8.444 -14.769 1.00 30.32 O ATOM 348 CB CYS A 42 -18.002 5.299 -13.863 1.00 30.15 C ATOM 349 SG CYS A 42 -18.839 3.958 -12.983 1.00 33.91 S ATOM 350 H CYS A 42 -19.991 7.494 -13.941 1.00 0.00 H ATOM 351 N TRP A 43 -16.018 7.761 -13.624 1.00 29.83 N ATOM 352 CA TRP A 43 -15.126 8.722 -14.261 1.00 29.19 C ATOM 353 C TRP A 43 -13.707 8.178 -14.372 1.00 28.30 C ATOM 354 O TRP A 43 -13.346 7.207 -13.704 1.00 24.80 O ATOM 355 CB TRP A 43 -15.112 10.038 -13.479 1.00 30.82 C ATOM 356 CG TRP A 43 -14.649 9.903 -12.055 1.00 30.09 C ATOM 357 CD1 TRP A 43 -13.392 10.139 -11.578 1.00 29.22 C ATOM 358 CD2 TRP A 43 -15.435 9.492 -10.929 1.00 27.08 C ATOM 359 NE1 TRP A 43 -13.347 9.907 -10.225 1.00 30.19 N ATOM 360 CE2 TRP A 43 -14.587 9.508 -9.801 1.00 28.98 C ATOM 361 CE3 TRP A 43 -16.770 9.112 -10.761 1.00 31.53 C ATOM 362 CZ2 TRP A 43 -15.033 9.160 -8.527 1.00 34.05 C ATOM 363 CZ3 TRP A 43 -17.210 8.767 -9.496 1.00 33.89 C ATOM 364 CH2 TRP A 43 -16.344 8.794 -8.395 1.00 36.66 C ATOM 365 HE1 TRP A 43 -12.508 10.016 -9.621 1.00 0.00 H ATOM 366 H TRP A 43 -15.636 7.107 -12.911 1.00 0.00 H ATOM 367 N ASN A 44 -12.913 8.812 -15.229 1.00 27.47 N ATOM 368 CA ASN A 44 -11.487 8.530 -15.321 1.00 27.32 C ATOM 369 C ASN A 44 -10.764 9.313 -14.233 1.00 27.12 C ATOM 370 O ASN A 44 -11.108 10.465 -13.970 1.00 28.71 O ATOM 371 CB ASN A 44 -10.960 8.904 -16.707 1.00 27.33 C ATOM 372 CG ASN A 44 -9.519 8.492 -16.918 1.00 27.31 C ATOM 373 OD1 ASN A 44 -8.608 9.014 -16.274 1.00 26.78 O ATOM 374 ND2 ASN A 44 -9.302 7.561 -17.841 1.00 25.48 N ATOM 375 HD22 ASN A 44 -10.102 7.148 -18.361 1.00 0.00 H ATOM 376 HD21 ASN A 44 -8.332 7.246 -18.044 1.00 0.00 H ATOM 377 H ASN A 44 -13.324 9.534 -15.855 1.00 0.00 H ATOM 378 N ASP A 45 -9.758 8.708 -13.609 1.00 28.04 N ATOM 379 CA ASP A 45 -9.151 9.309 -12.424 1.00 30.76 C ATOM 380 C ASP A 45 -8.048 10.316 -12.738 1.00 30.92 C ATOM 381 O ASP A 45 -7.641 11.070 -11.854 1.00 31.26 O ATOM 382 CB ASP A 45 -8.580 8.221 -11.510 1.00 30.79 C ATOM 383 CG ASP A 45 -9.650 7.508 -10.710 1.00 31.90 C ATOM 384 OD1 ASP A 45 -10.450 8.191 -10.037 1.00 32.18 O ATOM 385 OD2 ASP A 45 -9.674 6.262 -10.737 1.00 37.35 O ATOM 386 H ASP A 45 -9.400 7.800 -13.967 1.00 0.00 H ATOM 387 N TYR A 46 -7.576 10.349 -13.983 1.00 31.47 N ATOM 388 CA TYR A 46 -6.560 11.326 -14.376 1.00 33.06 C ATOM 389 C TYR A 46 -7.139 12.361 -15.341 1.00 35.60 C ATOM 390 O TYR A 46 -6.870 13.556 -15.209 1.00 35.01 O ATOM 391 CB TYR A 46 -5.346 10.628 -14.997 1.00 31.50 C ATOM 392 CG TYR A 46 -4.558 9.795 -14.010 1.00 30.26 C ATOM 393 CD1 TYR A 46 -4.019 10.365 -12.860 1.00 34.89 C ATOM 394 CD2 TYR A 46 -4.335 8.443 -14.237 1.00 28.42 C ATOM 395 CE1 TYR A 46 -3.295 9.607 -11.954 1.00 36.59 C ATOM 396 CE2 TYR A 46 -3.610 7.677 -13.342 1.00 31.10 C ATOM 397 CZ TYR A 46 -3.093 8.263 -12.203 1.00 34.70 C ATOM 398 OH TYR A 46 -2.374 7.494 -11.319 1.00 45.87 O ATOM 399 HH TYR A 46 -2.075 8.057 -10.561 1.00 0.00 H ATOM 400 H TYR A 46 -7.934 9.671 -14.686 1.00 0.00 H ATOM 401 N GLY A 47 -7.920 11.905 -16.316 1.00 30.79 N ATOM 402 CA GLY A 47 -8.597 12.814 -17.224 1.00 31.88 C ATOM 403 C GLY A 47 -7.882 13.011 -18.547 1.00 31.31 C ATOM 404 O GLY A 47 -6.770 12.519 -18.744 1.00 36.80 O ATOM 405 H GLY A 47 -8.048 10.879 -16.430 1.00 0.00 H ATOM 406 N GLY A 48 -8.527 13.741 -19.453 1.00 29.86 N ATOM 407 CA GLY A 48 -7.932 14.078 -20.735 1.00 31.14 C ATOM 408 C GLY A 48 -7.737 12.883 -21.648 1.00 37.71 C ATOM 409 O GLY A 48 -7.018 12.978 -22.644 1.00 37.16 O ATOM 410 H GLY A 48 -9.486 14.081 -19.237 1.00 0.00 H ATOM 411 N TRP A 49 -8.375 11.764 -21.313 1.00 34.87 N ATOM 412 CA TRP A 49 -8.271 10.548 -22.115 1.00 34.32 C ATOM 413 C TRP A 49 -6.808 10.160 -22.223 1.00 35.51 C ATOM 414 O TRP A 49 -6.344 9.662 -23.252 1.00 35.19 O ATOM 415 CB TRP A 49 -8.906 10.744 -23.492 1.00 30.31 C ATOM 416 CG TRP A 49 -10.348 11.087 -23.372 1.00 28.58 C ATOM 417 CD1 TRP A 49 -10.879 12.313 -23.100 1.00 29.90 C ATOM 418 CD2 TRP A 49 -11.455 10.185 -23.474 1.00 26.53 C ATOM 419 NE1 TRP A 49 -12.249 12.233 -23.038 1.00 29.60 N ATOM 420 CE2 TRP A 49 -12.626 10.935 -23.263 1.00 30.81 C ATOM 421 CE3 TRP A 49 -11.566 8.814 -23.724 1.00 27.99 C ATOM 422 CZ2 TRP A 49 -13.895 10.363 -23.300 1.00 23.38 C ATOM 423 CZ3 TRP A 49 -12.826 8.248 -23.762 1.00 25.52 C ATOM 424 CH2 TRP A 49 -13.974 9.022 -23.553 1.00 25.37 C ATOM 425 HE1 TRP A 49 -12.894 13.027 -22.851 1.00 0.00 H ATOM 426 H TRP A 49 -8.964 11.755 -20.456 1.00 0.00 H ATOM 427 N TYR A 50 -6.091 10.411 -21.135 1.00 32.90 N ATOM 428 CA TYR A 50 -4.673 10.123 -21.054 1.00 36.46 C ATOM 429 C TYR A 50 -4.408 8.636 -20.838 1.00 34.22 C ATOM 430 O TYR A 50 -3.562 8.039 -21.505 1.00 40.87 O ATOM 431 CB TYR A 50 -4.057 10.925 -19.910 1.00 35.25 C ATOM 432 CG TYR A 50 -2.625 10.568 -19.664 1.00 31.07 C ATOM 433 CD1 TYR A 50 -1.627 11.101 -20.453 1.00 38.47 C ATOM 434 CD2 TYR A 50 -2.268 9.684 -18.656 1.00 35.73 C ATOM 435 CE1 TYR A 50 -0.318 10.776 -20.251 1.00 34.59 C ATOM 436 CE2 TYR A 50 -0.949 9.349 -18.444 1.00 36.78 C ATOM 437 CZ TYR A 50 0.021 9.903 -19.248 1.00 35.39 C ATOM 438 OH TYR A 50 1.339 9.585 -19.062 1.00 33.27 O ATOM 439 HH TYR A 50 1.891 10.072 -19.724 1.00 0.00 H ATOM 440 H TYR A 50 -6.564 10.830 -20.309 1.00 0.00 H ATOM 441 N ASP A 51 -5.140 8.052 -19.896 1.00 32.18 N ATOM 442 CA ASP A 51 -5.130 6.613 -19.674 1.00 31.21 C ATOM 443 C ASP A 51 -6.576 6.143 -19.689 1.00 28.68 C ATOM 444 O ASP A 51 -7.204 5.980 -18.641 1.00 33.35 O ATOM 445 CB ASP A 51 -4.435 6.268 -18.355 1.00 32.85 C ATOM 446 CG ASP A 51 -4.296 4.774 -18.139 1.00 31.71 C ATOM 447 OD1 ASP A 51 -4.533 4.002 -19.093 1.00 28.17 O ATOM 448 OD2 ASP A 51 -3.932 4.372 -17.013 1.00 34.78 O ATOM 449 H ASP A 51 -5.744 8.646 -19.293 1.00 0.00 H ATOM 450 N THR A 52 -7.097 5.931 -20.891 1.00 30.25 N ATOM 451 CA THR A 52 -8.517 5.669 -21.079 1.00 26.29 C ATOM 452 C THR A 52 -8.946 4.354 -20.439 1.00 25.07 C ATOM 453 O THR A 52 -8.290 3.322 -20.591 1.00 23.01 O ATOM 454 CB THR A 52 -8.880 5.650 -22.576 1.00 27.18 C ATOM 455 OG1 THR A 52 -8.600 6.931 -23.152 1.00 33.55 O ATOM 456 CG2 THR A 52 -10.358 5.314 -22.779 1.00 29.08 C ATOM 457 HG1 THR A 52 -8.834 6.917 -24.114 1.00 0.00 H ATOM 458 H THR A 52 -6.473 5.953 -21.723 1.00 0.00 H ATOM 459 N ASP A 53 -10.057 4.414 -19.715 1.00 18.05 N ATOM 460 CA ASP A 53 -10.645 3.243 -19.089 1.00 27.16 C ATOM 461 C ASP A 53 -11.620 2.579 -20.053 1.00 26.77 C ATOM 462 O ASP A 53 -12.385 3.262 -20.733 1.00 23.05 O ATOM 463 CB ASP A 53 -11.356 3.640 -17.797 1.00 27.17 C ATOM 464 CG ASP A 53 -10.396 4.139 -16.737 1.00 27.96 C ATOM 465 OD1 ASP A 53 -9.378 3.460 -16.489 1.00 23.28 O ATOM 466 OD2 ASP A 53 -10.654 5.217 -16.161 1.00 29.86 O ATOM 467 H ASP A 53 -10.524 5.335 -19.591 1.00 0.00 H ATOM 468 N HIS A 54 -11.598 1.251 -20.098 1.00 24.29 N ATOM 469 CA HIS A 54 -12.490 0.499 -20.969 1.00 22.12 C ATOM 470 C HIS A 54 -13.423 -0.358 -20.134 1.00 25.95 C ATOM 471 O HIS A 54 -12.982 -1.259 -19.419 1.00 20.86 O ATOM 472 CB HIS A 54 -11.692 -0.370 -21.940 1.00 23.22 C ATOM 473 CG HIS A 54 -10.605 0.373 -22.650 1.00 24.06 C ATOM 474 ND1 HIS A 54 -10.864 1.329 -23.608 1.00 25.86 N ATOM 475 CD2 HIS A 54 -9.257 0.298 -22.547 1.00 26.81 C ATOM 476 CE1 HIS A 54 -9.722 1.817 -24.059 1.00 26.90 C ATOM 477 NE2 HIS A 54 -8.732 1.206 -23.433 1.00 24.30 N ATOM 478 H HIS A 54 -10.926 0.735 -19.495 1.00 0.00 H ATOM 479 N ILE A 55 -14.716 -0.068 -20.241 1.00 21.65 N ATOM 480 CA ILE A 55 -15.729 -0.691 -19.400 1.00 21.82 C ATOM 481 C ILE A 55 -16.717 -1.488 -20.236 1.00 26.30 C ATOM 482 O ILE A 55 -17.175 -1.029 -21.282 1.00 25.69 O ATOM 483 CB ILE A 55 -16.517 0.357 -18.581 1.00 21.27 C ATOM 484 CG1 ILE A 55 -15.583 1.446 -18.042 1.00 22.46 C ATOM 485 CG2 ILE A 55 -17.286 -0.320 -17.454 1.00 16.08 C ATOM 486 CD1 ILE A 55 -14.518 0.943 -17.089 1.00 20.94 C ATOM 487 H ILE A 55 -15.015 0.630 -20.952 1.00 0.00 H ATOM 488 N ASN A 56 -17.037 -2.689 -19.770 1.00 25.75 N ATOM 489 CA ASN A 56 -18.111 -3.470 -20.360 1.00 24.78 C ATOM 490 C ASN A 56 -18.778 -4.312 -19.288 1.00 25.31 C ATOM 491 O ASN A 56 -18.217 -4.514 -18.210 1.00 27.74 O ATOM 492 CB ASN A 56 -17.585 -4.360 -21.491 1.00 26.51 C ATOM 493 CG ASN A 56 -16.656 -5.454 -20.994 1.00 32.75 C ATOM 494 OD1 ASN A 56 -15.435 -5.283 -20.958 1.00 22.78 O ATOM 495 ND2 ASN A 56 -17.230 -6.594 -20.624 1.00 29.93 N ATOM 496 HD22 ASN A 56 -18.264 -6.695 -20.671 1.00 0.00 H ATOM 497 HD21 ASN A 56 -16.645 -7.386 -20.288 1.00 0.00 H ATOM 498 H ASN A 56 -16.507 -3.080 -18.965 1.00 0.00 H ATOM 499 N LEU A 57 -19.980 -4.794 -19.583 1.00 25.65 N ATOM 500 CA LEU A 57 -20.686 -5.684 -18.676 1.00 27.34 C ATOM 501 C LEU A 57 -20.406 -7.106 -19.111 1.00 24.86 C ATOM 502 O LEU A 57 -20.170 -7.368 -20.292 1.00 26.30 O ATOM 503 CB LEU A 57 -22.186 -5.391 -18.667 1.00 27.47 C ATOM 504 CG LEU A 57 -22.553 -3.939 -18.354 1.00 27.44 C ATOM 505 CD1 LEU A 57 -24.055 -3.751 -18.369 1.00 33.13 C ATOM 506 CD2 LEU A 57 -21.987 -3.519 -17.004 1.00 25.82 C ATOM 507 H LEU A 57 -20.427 -4.528 -20.484 1.00 0.00 H ATOM 508 N VAL A 58 -20.418 -8.019 -18.149 1.00 28.58 N ATOM 509 CA VAL A 58 -19.861 -9.341 -18.369 1.00 27.92 C ATOM 510 C VAL A 58 -20.916 -10.436 -18.393 1.00 27.92 C ATOM 511 O VAL A 58 -21.873 -10.428 -17.616 1.00 29.02 O ATOM 512 CB VAL A 58 -18.822 -9.688 -17.294 1.00 31.10 C ATOM 513 CG1 VAL A 58 -18.062 -10.930 -17.687 1.00 23.22 C ATOM 514 CG2 VAL A 58 -17.857 -8.527 -17.090 1.00 32.41 C ATOM 515 H VAL A 58 -20.832 -7.784 -17.224 1.00 0.00 H ATOM 516 N GLN A 59 -20.713 -11.360 -19.323 1.00 23.92 N ATOM 517 CA GLN A 59 -21.442 -12.614 -19.404 1.00 24.95 C ATOM 518 C GLN A 59 -21.704 -13.195 -18.015 1.00 25.74 C ATOM 519 O GLN A 59 -20.797 -13.273 -17.185 1.00 28.49 O ATOM 520 CB GLN A 59 -20.629 -13.582 -20.263 1.00 27.80 C ATOM 521 CG GLN A 59 -21.235 -14.937 -20.533 1.00 28.18 C ATOM 522 CD GLN A 59 -20.217 -15.874 -21.152 1.00 31.66 C ATOM 523 OE1 GLN A 59 -19.289 -16.328 -20.482 1.00 32.42 O ATOM 524 NE2 GLN A 59 -20.360 -16.136 -22.446 1.00 32.40 N ATOM 525 HE22 GLN A 59 -21.160 -15.731 -22.973 1.00 0.00 H ATOM 526 HE21 GLN A 59 -19.672 -16.746 -22.932 1.00 0.00 H ATOM 527 H GLN A 59 -19.984 -11.174 -20.041 1.00 0.00 H ATOM 528 N GLY A 60 -22.950 -13.589 -17.767 1.00 31.05 N ATOM 529 CA GLY A 60 -23.343 -14.140 -16.481 1.00 27.17 C ATOM 530 C GLY A 60 -24.178 -13.173 -15.663 1.00 28.22 C ATOM 531 O GLY A 60 -24.806 -13.567 -14.677 1.00 22.60 O ATOM 532 H GLY A 60 -23.665 -13.500 -18.517 1.00 0.00 H ATOM 533 N SER A 61 -24.173 -11.903 -16.057 1.00 27.29 N ATOM 534 CA SER A 61 -25.060 -10.917 -15.452 1.00 25.90 C ATOM 535 C SER A 61 -26.497 -11.399 -15.621 1.00 25.75 C ATOM 536 O SER A 61 -26.902 -11.767 -16.722 1.00 26.92 O ATOM 537 CB SER A 61 -24.868 -9.548 -16.097 1.00 34.98 C ATOM 538 OG SER A 61 -23.545 -9.074 -15.901 1.00 26.33 O ATOM 539 HG SER A 61 -22.904 -9.710 -16.308 1.00 0.00 H ATOM 540 H SER A 61 -23.523 -11.607 -16.813 1.00 0.00 H ATOM 541 N ALA A 62 -27.267 -11.397 -14.537 1.00 30.52 N ATOM 542 CA ALA A 62 -28.567 -12.061 -14.551 1.00 30.07 C ATOM 543 C ALA A 62 -29.525 -11.538 -13.492 1.00 29.38 C ATOM 544 O ALA A 62 -29.144 -10.760 -12.615 1.00 31.05 O ATOM 545 CB ALA A 62 -28.373 -13.559 -14.368 1.00 35.32 C ATOM 546 H ALA A 62 -26.941 -10.919 -13.673 1.00 0.00 H ATOM 547 N PHE A 63 -30.779 -11.972 -13.584 1.00 36.53 N ATOM 548 CA PHE A 63 -31.755 -11.673 -12.549 1.00 36.62 C ATOM 549 C PHE A 63 -31.401 -12.459 -11.296 1.00 32.98 C ATOM 550 O PHE A 63 -30.736 -13.492 -11.368 1.00 32.08 O ATOM 551 CB PHE A 63 -33.176 -12.011 -13.012 1.00 38.88 C ATOM 552 CG PHE A 63 -33.701 -11.088 -14.072 1.00 39.61 C ATOM 553 CD1 PHE A 63 -33.844 -9.737 -13.812 1.00 35.51 C ATOM 554 CD2 PHE A 63 -34.064 -11.568 -15.320 1.00 41.44 C ATOM 555 CE1 PHE A 63 -34.323 -8.880 -14.777 1.00 37.57 C ATOM 556 CE2 PHE A 63 -34.551 -10.711 -16.292 1.00 42.13 C ATOM 557 CZ PHE A 63 -34.683 -9.365 -16.018 1.00 39.90 C ATOM 558 H PHE A 63 -31.066 -12.535 -14.410 1.00 0.00 H ATOM 559 N ALA A 64 -31.849 -11.959 -10.151 1.00 37.29 N ATOM 560 CA ALA A 64 -31.544 -12.574 -8.867 1.00 40.76 C ATOM 561 C ALA A 64 -32.808 -12.833 -8.056 1.00 52.22 C ATOM 562 O ALA A 64 -33.755 -12.041 -8.076 1.00 40.81 O ATOM 563 CB ALA A 64 -30.584 -11.702 -8.086 1.00 43.18 C ATOM 564 H ALA A 64 -32.436 -11.101 -10.172 1.00 0.00 H ATOM 565 N GLY A 65 -32.801 -13.953 -7.341 1.00 52.85 N ATOM 566 CA GLY A 65 -33.894 -14.339 -6.469 1.00 53.58 C ATOM 567 C GLY A 65 -35.258 -14.401 -7.130 1.00 51.61 C ATOM 568 O GLY A 65 -35.478 -15.201 -8.039 1.00 46.85 O ATOM 569 H GLY A 65 -31.975 -14.581 -7.410 1.00 0.00 H ATOM 570 N SER A 66 -36.170 -13.557 -6.653 1.00 52.13 N ATOM 571 CA SER A 66 -37.558 -13.528 -7.119 1.00 51.69 C ATOM 572 C SER A 66 -37.705 -13.610 -8.643 1.00 58.48 C ATOM 573 O SER A 66 -38.620 -14.263 -9.148 1.00 55.78 O ATOM 574 CB SER A 66 -38.248 -12.263 -6.601 1.00 49.25 C ATOM 575 OG SER A 66 -39.415 -11.968 -7.348 1.00 46.69 O ATOM 576 HG SER A 66 -39.836 -11.147 -6.989 1.00 0.00 H ATOM 577 H SER A 66 -35.883 -12.885 -5.913 1.00 0.00 H ATOM 578 N LEU A 67 -36.799 -12.954 -9.364 1.00 53.41 N ATOM 579 CA LEU A 67 -36.918 -12.785 -10.812 1.00 48.66 C ATOM 580 C LEU A 67 -36.053 -13.736 -11.641 1.00 44.96 C ATOM 581 O LEU A 67 -35.904 -13.539 -12.846 1.00 45.95 O ATOM 582 CB LEU A 67 -36.574 -11.344 -11.201 1.00 47.65 C ATOM 583 CG LEU A 67 -37.412 -10.202 -10.619 1.00 51.61 C ATOM 584 CD1 LEU A 67 -37.150 -9.989 -9.137 1.00 54.29 C ATOM 585 CD2 LEU A 67 -37.142 -8.927 -11.398 1.00 47.21 C ATOM 586 H LEU A 67 -35.974 -12.546 -8.879 1.00 0.00 H ATOM 587 N GLN A 68 -35.478 -14.750 -11.002 1.00 45.38 N ATOM 588 CA GLN A 68 -34.585 -15.688 -11.686 1.00 47.77 C ATOM 589 C GLN A 68 -35.113 -16.228 -13.020 1.00 48.56 C ATOM 590 O GLN A 68 -34.370 -16.293 -13.998 1.00 49.96 O ATOM 591 CB GLN A 68 -34.280 -16.873 -10.761 1.00 51.62 C ATOM 592 H GLN A 68 -35.668 -14.881 -9.988 1.00 0.00 H ATOM 593 N SER A 69 -36.384 -16.618 -13.055 1.00 53.94 N ATOM 594 CA SER A 69 -36.965 -17.221 -14.256 1.00 56.59 C ATOM 595 C SER A 69 -37.400 -16.207 -15.316 1.00 54.90 C ATOM 596 O SER A 69 -37.681 -16.587 -16.453 1.00 60.94 O ATOM 597 CB SER A 69 -38.163 -18.101 -13.879 1.00 63.83 C ATOM 598 OG SER A 69 -39.211 -17.340 -13.306 1.00 65.23 O ATOM 599 HG SER A 69 -39.965 -17.939 -13.076 1.00 0.00 H ATOM 600 H SER A 69 -36.978 -16.492 -12.211 1.00 0.00 H ATOM 601 N TYR A 70 -37.445 -14.926 -14.962 1.00 52.41 N ATOM 602 CA TYR A 70 -37.912 -13.909 -15.900 1.00 48.77 C ATOM 603 C TYR A 70 -36.922 -13.651 -17.023 1.00 50.01 C ATOM 604 O TYR A 70 -35.707 -13.745 -16.840 1.00 50.31 O ATOM 605 CB TYR A 70 -38.190 -12.591 -15.174 1.00 50.94 C ATOM 606 CG TYR A 70 -39.394 -12.615 -14.267 1.00 51.29 C ATOM 607 CD1 TYR A 70 -40.541 -13.313 -14.616 1.00 56.69 C ATOM 608 CD2 TYR A 70 -39.379 -11.942 -13.059 1.00 52.34 C ATOM 609 CE1 TYR A 70 -41.643 -13.337 -13.784 1.00 56.71 C ATOM 610 CE2 TYR A 70 -40.469 -11.959 -12.216 1.00 56.81 C ATOM 611 CZ TYR A 70 -41.601 -12.656 -12.582 1.00 65.31 C ATOM 612 OH TYR A 70 -42.684 -12.665 -11.736 1.00 68.89 O ATOM 613 HH TYR A 70 -43.411 -13.204 -12.138 1.00 0.00 H ATOM 614 H TYR A 70 -37.144 -14.645 -14.007 1.00 0.00 H ATOM 615 N LYS A 71 -37.468 -13.320 -18.189 1.00 44.95 N ATOM 616 CA LYS A 71 -36.675 -12.841 -19.309 1.00 49.69 C ATOM 617 C LYS A 71 -36.797 -11.326 -19.368 1.00 42.64 C ATOM 618 O LYS A 71 -37.788 -10.755 -18.914 1.00 49.62 O ATOM 619 CB LYS A 71 -37.138 -13.473 -20.622 1.00 41.58 C ATOM 620 H LYS A 71 -38.498 -13.407 -18.304 1.00 0.00 H ATOM 621 N GLY A 72 -35.782 -10.680 -19.923 1.00 48.22 N ATOM 622 CA GLY A 72 -35.734 -9.233 -19.963 1.00 39.98 C ATOM 623 C GLY A 72 -34.682 -8.777 -20.946 1.00 41.01 C ATOM 624 O GLY A 72 -34.144 -9.583 -21.707 1.00 38.99 O ATOM 625 H GLY A 72 -35.001 -11.225 -20.340 1.00 0.00 H ATOM 626 N SER A 73 -34.398 -7.481 -20.938 1.00 44.14 N ATOM 627 CA SER A 73 -33.364 -6.925 -21.795 1.00 41.04 C ATOM 628 C SER A 73 -32.551 -5.896 -21.027 1.00 35.92 C ATOM 629 O SER A 73 -33.000 -5.360 -20.014 1.00 32.51 O ATOM 630 CB SER A 73 -33.979 -6.295 -23.047 1.00 42.98 C ATOM 631 OG SER A 73 -34.913 -5.284 -22.709 1.00 51.88 O ATOM 632 HG SER A 73 -35.292 -4.897 -23.537 1.00 0.00 H ATOM 633 H SER A 73 -34.927 -6.849 -20.304 1.00 0.00 H ATOM 634 N LEU A 74 -31.344 -5.640 -21.515 1.00 35.64 N ATOM 635 CA LEU A 74 -30.425 -4.727 -20.857 1.00 32.11 C ATOM 636 C LEU A 74 -29.846 -3.773 -21.890 1.00 33.96 C ATOM 637 O LEU A 74 -29.256 -4.197 -22.885 1.00 35.96 O ATOM 638 CB LEU A 74 -29.323 -5.509 -20.132 1.00 34.93 C ATOM 639 CG LEU A 74 -28.176 -4.715 -19.503 1.00 30.01 C ATOM 640 CD1 LEU A 74 -27.669 -5.414 -18.249 1.00 31.94 C ATOM 641 CD2 LEU A 74 -27.036 -4.538 -20.491 1.00 38.72 C ATOM 642 H LEU A 74 -31.047 -6.107 -22.395 1.00 0.00 H ATOM 643 N TYR A 75 -30.044 -2.481 -21.652 1.00 28.05 N ATOM 644 CA TYR A 75 -29.514 -1.441 -22.520 1.00 31.56 C ATOM 645 C TYR A 75 -28.170 -0.969 -21.989 1.00 31.66 C ATOM 646 O TYR A 75 -28.058 -0.601 -20.824 1.00 34.73 O ATOM 647 CB TYR A 75 -30.497 -0.272 -22.606 1.00 30.43 C ATOM 648 CG TYR A 75 -29.940 0.955 -23.290 1.00 35.90 C ATOM 649 CD1 TYR A 75 -30.056 1.119 -24.663 1.00 35.05 C ATOM 650 CD2 TYR A 75 -29.304 1.952 -22.562 1.00 36.95 C ATOM 651 CE1 TYR A 75 -29.551 2.239 -25.294 1.00 37.79 C ATOM 652 CE2 TYR A 75 -28.794 3.076 -23.183 1.00 39.30 C ATOM 653 CZ TYR A 75 -28.922 3.215 -24.549 1.00 45.18 C ATOM 654 OH TYR A 75 -28.417 4.332 -25.173 1.00 43.51 O ATOM 655 HH TYR A 75 -28.593 4.273 -26.146 1.00 0.00 H ATOM 656 H TYR A 75 -30.597 -2.204 -20.816 1.00 0.00 H ATOM 657 N TRP A 76 -27.154 -0.983 -22.848 1.00 35.79 N ATOM 658 CA TRP A 76 -25.813 -0.558 -22.460 1.00 26.04 C ATOM 659 C TRP A 76 -25.129 0.187 -23.601 1.00 33.84 C ATOM 660 O TRP A 76 -24.891 -0.381 -24.667 1.00 30.65 O ATOM 661 CB TRP A 76 -24.964 -1.761 -22.039 1.00 31.16 C ATOM 662 CG TRP A 76 -23.508 -1.436 -21.853 1.00 23.90 C ATOM 663 CD1 TRP A 76 -22.502 -1.639 -22.752 1.00 28.08 C ATOM 664 CD2 TRP A 76 -22.898 -0.856 -20.693 1.00 24.61 C ATOM 665 NE1 TRP A 76 -21.303 -1.220 -22.225 1.00 25.35 N ATOM 666 CE2 TRP A 76 -21.519 -0.735 -20.963 1.00 22.25 C ATOM 667 CE3 TRP A 76 -23.382 -0.426 -19.453 1.00 26.03 C ATOM 668 CZ2 TRP A 76 -20.621 -0.204 -20.039 1.00 21.84 C ATOM 669 CZ3 TRP A 76 -22.489 0.101 -18.537 1.00 25.49 C ATOM 670 CH2 TRP A 76 -21.124 0.209 -18.836 1.00 22.05 C ATOM 671 HE1 TRP A 76 -20.382 -1.264 -22.707 1.00 0.00 H ATOM 672 H TRP A 76 -27.320 -1.306 -23.823 1.00 0.00 H ATOM 673 N ASN A 77 -24.824 1.461 -23.359 1.00 35.41 N ATOM 674 CA ASN A 77 -24.094 2.302 -24.306 1.00 42.76 C ATOM 675 C ASN A 77 -24.623 2.185 -25.740 1.00 43.29 C ATOM 676 O ASN A 77 -23.923 1.711 -26.634 1.00 46.26 O ATOM 677 CB ASN A 77 -22.601 1.954 -24.261 1.00 34.39 C ATOM 678 CG ASN A 77 -21.742 2.958 -25.008 1.00 32.45 C ATOM 679 OD1 ASN A 77 -22.092 4.133 -25.117 1.00 34.73 O ATOM 680 ND2 ASN A 77 -20.605 2.500 -25.519 1.00 35.18 N ATOM 681 HD22 ASN A 77 -20.349 1.499 -25.403 1.00 0.00 H ATOM 682 HD21 ASN A 77 -19.971 3.143 -26.035 1.00 0.00 H ATOM 683 H ASN A 77 -25.119 1.877 -22.453 1.00 0.00 H ATOM 684 N ASN A 78 -25.882 2.583 -25.920 1.00 44.15 N ATOM 685 CA ASN A 78 -26.544 2.656 -27.228 1.00 42.77 C ATOM 686 C ASN A 78 -26.903 1.300 -27.846 1.00 43.44 C ATOM 687 O ASN A 78 -27.448 1.254 -28.951 1.00 39.00 O ATOM 688 CB ASN A 78 -25.687 3.451 -28.223 1.00 41.27 C ATOM 689 CG ASN A 78 -25.421 4.870 -27.759 1.00 49.83 C ATOM 690 OD1 ASN A 78 -26.273 5.500 -27.132 1.00 55.53 O ATOM 691 ND2 ASN A 78 -24.237 5.387 -28.076 1.00 53.76 N ATOM 692 HD22 ASN A 78 -23.547 4.819 -28.607 1.00 0.00 H ATOM 693 HD21 ASN A 78 -24.002 6.360 -27.793 1.00 0.00 H ATOM 694 H ASN A 78 -26.430 2.859 -25.081 1.00 0.00 H ATOM 695 N VAL A 79 -26.598 0.207 -27.150 1.00 37.48 N ATOM 696 CA VAL A 79 -26.952 -1.128 -27.635 1.00 35.90 C ATOM 697 C VAL A 79 -27.817 -1.857 -26.609 1.00 37.85 C ATOM 698 O VAL A 79 -27.599 -1.727 -25.404 1.00 37.41 O ATOM 699 CB VAL A 79 -25.696 -1.971 -27.942 1.00 38.65 C ATOM 700 CG1 VAL A 79 -26.082 -3.342 -28.488 1.00 35.60 C ATOM 701 CG2 VAL A 79 -24.797 -1.246 -28.930 1.00 40.27 C ATOM 702 H VAL A 79 -26.098 0.304 -26.243 1.00 0.00 H ATOM 703 N THR A 80 -28.799 -2.615 -27.093 1.00 32.87 N ATOM 704 CA THR A 80 -29.656 -3.415 -26.221 1.00 35.52 C ATOM 705 C THR A 80 -29.310 -4.895 -26.323 1.00 36.11 C ATOM 706 O THR A 80 -29.088 -5.418 -27.416 1.00 40.98 O ATOM 707 CB THR A 80 -31.146 -3.230 -26.542 1.00 42.85 C ATOM 708 OG1 THR A 80 -31.512 -1.854 -26.382 1.00 46.79 O ATOM 709 CG2 THR A 80 -31.986 -4.100 -25.613 1.00 33.20 C ATOM 710 HG1 THR A 80 -32.473 -1.743 -26.591 1.00 0.00 H ATOM 711 H THR A 80 -28.960 -2.638 -28.120 1.00 0.00 H ATOM 712 N TYR A 81 -29.272 -5.557 -25.171 1.00 34.69 N ATOM 713 CA TYR A 81 -28.909 -6.966 -25.085 1.00 29.54 C ATOM 714 C TYR A 81 -30.002 -7.780 -24.402 1.00 26.56 C ATOM 715 O TYR A 81 -30.697 -7.264 -23.527 1.00 33.62 O ATOM 716 CB TYR A 81 -27.600 -7.115 -24.315 1.00 34.79 C ATOM 717 CG TYR A 81 -26.457 -6.353 -24.935 1.00 32.27 C ATOM 718 CD1 TYR A 81 -25.589 -6.966 -25.827 1.00 30.76 C ATOM 719 CD2 TYR A 81 -26.245 -5.016 -24.625 1.00 30.68 C ATOM 720 CE1 TYR A 81 -24.544 -6.268 -26.395 1.00 27.15 C ATOM 721 CE2 TYR A 81 -25.204 -4.311 -25.189 1.00 33.17 C ATOM 722 CZ TYR A 81 -24.356 -4.943 -26.072 1.00 24.95 C ATOM 723 OH TYR A 81 -23.317 -4.244 -26.636 1.00 27.55 O ATOM 724 HH TYR A 81 -22.809 -4.841 -27.241 1.00 0.00 H ATOM 725 H TYR A 81 -29.511 -5.049 -24.296 1.00 0.00 H ATOM 726 N PRO A 82 -30.170 -9.051 -24.804 1.00 32.10 N ATOM 727 CA PRO A 82 -31.045 -9.914 -24.006 1.00 36.34 C ATOM 728 C PRO A 82 -30.504 -10.078 -22.589 1.00 38.76 C ATOM 729 O PRO A 82 -29.287 -10.154 -22.413 1.00 32.53 O ATOM 730 CB PRO A 82 -31.022 -11.247 -24.763 1.00 36.95 C ATOM 731 CG PRO A 82 -30.565 -10.904 -26.141 1.00 34.71 C ATOM 732 CD PRO A 82 -29.620 -9.761 -25.972 1.00 34.22 C ATOM 733 N PHE A 83 -31.394 -10.133 -21.603 1.00 29.19 N ATOM 734 CA PHE A 83 -30.994 -10.307 -20.212 1.00 37.85 C ATOM 735 C PHE A 83 -31.724 -11.525 -19.647 1.00 42.50 C ATOM 736 O PHE A 83 -32.923 -11.680 -19.881 1.00 42.55 O ATOM 737 CB PHE A 83 -31.309 -9.049 -19.402 1.00 33.82 C ATOM 738 CG PHE A 83 -30.543 -8.947 -18.115 1.00 37.42 C ATOM 739 CD1 PHE A 83 -29.217 -8.544 -18.115 1.00 32.41 C ATOM 740 CD2 PHE A 83 -31.147 -9.246 -16.908 1.00 35.09 C ATOM 741 CE1 PHE A 83 -28.508 -8.445 -16.934 1.00 31.03 C ATOM 742 CE2 PHE A 83 -30.443 -9.146 -15.723 1.00 33.23 C ATOM 743 CZ PHE A 83 -29.122 -8.746 -15.736 1.00 31.29 C ATOM 744 H PHE A 83 -32.405 -10.049 -21.831 1.00 0.00 H ATOM 745 N PRO A 84 -31.017 -12.399 -18.903 1.00 37.99 N ATOM 746 CA PRO A 84 -29.615 -12.348 -18.464 1.00 34.37 C ATOM 747 C PRO A 84 -28.615 -12.365 -19.617 1.00 34.60 C ATOM 748 O PRO A 84 -28.922 -12.891 -20.687 1.00 34.43 O ATOM 749 CB PRO A 84 -29.476 -13.614 -17.612 1.00 34.58 C ATOM 750 CG PRO A 84 -30.505 -14.536 -18.141 1.00 34.00 C ATOM 751 CD PRO A 84 -31.662 -13.655 -18.483 1.00 35.22 C ATOM 752 N LEU A 85 -27.436 -11.787 -19.397 1.00 28.75 N ATOM 753 CA LEU A 85 -26.442 -11.659 -20.457 1.00 32.23 C ATOM 754 C LEU A 85 -25.809 -13.006 -20.777 1.00 28.88 C ATOM 755 O LEU A 85 -25.336 -13.710 -19.886 1.00 25.10 O ATOM 756 CB LEU A 85 -25.352 -10.655 -20.067 1.00 27.05 C ATOM 757 CG LEU A 85 -25.744 -9.181 -19.931 1.00 31.77 C ATOM 758 CD1 LEU A 85 -24.524 -8.343 -19.584 1.00 30.91 C ATOM 759 CD2 LEU A 85 -26.397 -8.653 -21.198 1.00 28.83 C ATOM 760 H LEU A 85 -27.219 -11.419 -18.449 1.00 0.00 H ATOM 761 N THR A 86 -25.793 -13.342 -22.062 1.00 36.74 N ATOM 762 CA THR A 86 -25.179 -14.576 -22.537 1.00 37.27 C ATOM 763 C THR A 86 -23.864 -14.277 -23.250 1.00 34.28 C ATOM 764 O THR A 86 -23.123 -15.190 -23.618 1.00 37.77 O ATOM 765 CB THR A 86 -26.128 -15.338 -23.483 1.00 36.29 C ATOM 766 OG1 THR A 86 -26.261 -14.619 -24.716 1.00 36.09 O ATOM 767 CG2 THR A 86 -27.501 -15.493 -22.844 1.00 33.77 C ATOM 768 HG1 THR A 86 -26.871 -15.112 -25.320 1.00 0.00 H ATOM 769 H THR A 86 -26.234 -12.702 -22.753 1.00 0.00 H ATOM 770 N THR A 87 -23.585 -12.991 -23.444 1.00 33.94 N ATOM 771 CA THR A 87 -22.301 -12.540 -23.965 1.00 35.56 C ATOM 772 C THR A 87 -21.858 -11.297 -23.205 1.00 36.90 C ATOM 773 O THR A 87 -22.615 -10.744 -22.405 1.00 29.42 O ATOM 774 CB THR A 87 -22.358 -12.221 -25.472 1.00 33.25 C ATOM 775 OG1 THR A 87 -23.173 -11.063 -25.688 1.00 36.17 O ATOM 776 CG2 THR A 87 -22.923 -13.397 -26.253 1.00 36.80 C ATOM 777 HG1 THR A 87 -22.785 -10.292 -25.203 1.00 0.00 H ATOM 778 H THR A 87 -24.310 -12.281 -23.215 1.00 0.00 H ATOM 779 N ASN A 88 -20.627 -10.866 -23.454 1.00 28.86 N ATOM 780 CA ASN A 88 -20.170 -9.573 -22.974 1.00 32.04 C ATOM 781 C ASN A 88 -20.781 -8.468 -23.829 1.00 33.11 C ATOM 782 O ASN A 88 -21.103 -8.686 -24.996 1.00 30.84 O ATOM 783 CB ASN A 88 -18.643 -9.494 -23.008 1.00 33.88 C ATOM 784 CG ASN A 88 -17.986 -10.451 -22.029 1.00 27.11 C ATOM 785 OD1 ASN A 88 -18.626 -10.951 -21.104 1.00 30.07 O ATOM 786 ND2 ASN A 88 -16.705 -10.724 -22.241 1.00 30.47 N ATOM 787 HD22 ASN A 88 -16.203 -10.278 -23.035 1.00 0.00 H ATOM 788 HD21 ASN A 88 -16.203 -11.384 -21.613 1.00 0.00 H ATOM 789 H ASN A 88 -19.978 -11.465 -24.003 1.00 0.00 H ATOM 790 N THR A 89 -20.951 -7.289 -23.244 1.00 26.66 N ATOM 791 CA THR A 89 -21.471 -6.142 -23.979 1.00 25.50 C ATOM 792 C THR A 89 -20.367 -5.445 -24.758 1.00 32.13 C ATOM 793 O THR A 89 -19.195 -5.810 -24.661 1.00 25.75 O ATOM 794 CB THR A 89 -22.128 -5.112 -23.042 1.00 28.04 C ATOM 795 OG1 THR A 89 -21.122 -4.485 -22.237 1.00 35.88 O ATOM 796 CG2 THR A 89 -23.156 -5.777 -22.144 1.00 27.88 C ATOM 797 HG1 THR A 89 -20.469 -4.027 -22.824 1.00 0.00 H ATOM 798 H THR A 89 -20.708 -7.181 -22.239 1.00 0.00 H ATOM 799 N ASN A 90 -20.753 -4.439 -25.535 1.00 30.37 N ATOM 800 CA ASN A 90 -19.788 -3.564 -26.181 1.00 32.49 C ATOM 801 C ASN A 90 -19.006 -2.794 -25.124 1.00 29.80 C ATOM 802 O ASN A 90 -19.417 -2.733 -23.963 1.00 23.88 O ATOM 803 CB ASN A 90 -20.493 -2.603 -27.141 1.00 32.22 C ATOM 804 CG ASN A 90 -21.329 -1.561 -26.418 1.00 36.44 C ATOM 805 OD1 ASN A 90 -20.798 -0.619 -25.828 1.00 35.30 O ATOM 806 ND2 ASN A 90 -22.646 -1.728 -26.459 1.00 35.77 N ATOM 807 HD22 ASN A 90 -23.052 -2.538 -26.969 1.00 0.00 H ATOM 808 HD21 ASN A 90 -23.271 -1.048 -25.981 1.00 0.00 H ATOM 809 H ASN A 90 -21.769 -4.273 -25.685 1.00 0.00 H ATOM 810 N VAL A 91 -17.892 -2.192 -25.527 1.00 24.31 N ATOM 811 CA VAL A 91 -17.043 -1.478 -24.585 1.00 28.36 C ATOM 812 C VAL A 91 -17.394 0.003 -24.544 1.00 25.24 C ATOM 813 O VAL A 91 -17.468 0.668 -25.579 1.00 24.85 O ATOM 814 CB VAL A 91 -15.546 -1.653 -24.939 1.00 25.94 C ATOM 815 CG1 VAL A 91 -14.671 -0.649 -24.184 1.00 21.46 C ATOM 816 CG2 VAL A 91 -15.104 -3.073 -24.642 1.00 20.61 C ATOM 817 H VAL A 91 -17.623 -2.232 -26.531 1.00 0.00 H ATOM 818 N LEU A 92 -17.591 0.505 -23.328 1.00 27.09 N ATOM 819 CA LEU A 92 -17.775 1.928 -23.084 1.00 24.70 C ATOM 820 C LEU A 92 -16.457 2.514 -22.606 1.00 24.72 C ATOM 821 O LEU A 92 -15.837 1.994 -21.677 1.00 25.16 O ATOM 822 CB LEU A 92 -18.877 2.169 -22.048 1.00 28.94 C ATOM 823 CG LEU A 92 -18.939 3.566 -21.420 1.00 30.08 C ATOM 824 CD1 LEU A 92 -19.407 4.597 -22.434 1.00 25.59 C ATOM 825 CD2 LEU A 92 -19.844 3.556 -20.200 1.00 30.42 C ATOM 826 H LEU A 92 -17.615 -0.147 -22.518 1.00 0.00 H ATOM 827 N ASP A 93 -16.043 3.605 -23.239 1.00 23.71 N ATOM 828 CA ASP A 93 -14.752 4.218 -22.958 1.00 28.33 C ATOM 829 C ASP A 93 -14.916 5.516 -22.177 1.00 27.37 C ATOM 830 O ASP A 93 -15.699 6.388 -22.557 1.00 23.12 O ATOM 831 CB ASP A 93 -14.001 4.463 -24.262 1.00 23.73 C ATOM 832 CG ASP A 93 -13.880 3.207 -25.097 1.00 24.84 C ATOM 833 OD1 ASP A 93 -12.897 2.461 -24.911 1.00 26.70 O ATOM 834 OD2 ASP A 93 -14.772 2.960 -25.933 1.00 28.02 O ATOM 835 H ASP A 93 -16.659 4.035 -23.958 1.00 0.00 H ATOM 836 N ILE A 94 -14.172 5.624 -21.080 1.00 24.45 N ATOM 837 CA ILE A 94 -14.323 6.723 -20.136 1.00 27.25 C ATOM 838 C ILE A 94 -12.957 7.350 -19.869 1.00 23.47 C ATOM 839 O ILE A 94 -12.036 6.675 -19.405 1.00 24.85 O ATOM 840 CB ILE A 94 -14.965 6.233 -18.815 1.00 24.15 C ATOM 841 CG1 ILE A 94 -16.401 5.768 -19.088 1.00 29.31 C ATOM 842 CG2 ILE A 94 -14.915 7.325 -17.740 1.00 32.34 C ATOM 843 CD1 ILE A 94 -17.188 5.348 -17.858 1.00 34.89 C ATOM 844 H ILE A 94 -13.455 4.896 -20.889 1.00 0.00 H ATOM 845 N GLY A 95 -12.840 8.643 -20.166 1.00 26.39 N ATOM 846 CA GLY A 95 -11.578 9.355 -20.046 1.00 27.22 C ATOM 847 C GLY A 95 -11.688 10.749 -19.452 1.00 27.42 C ATOM 848 O GLY A 95 -10.673 11.419 -19.274 1.00 30.37 O ATOM 849 H GLY A 95 -13.680 9.161 -20.495 1.00 0.00 H ATOM 850 N ASP A 96 -12.907 11.194 -19.158 1.00 27.42 N ATOM 851 CA ASP A 96 -13.115 12.496 -18.524 1.00 31.83 C ATOM 852 C ASP A 96 -13.189 12.360 -17.005 1.00 35.17 C ATOM 853 O ASP A 96 -13.540 11.299 -16.484 1.00 34.78 O ATOM 854 CB ASP A 96 -14.392 13.155 -19.051 1.00 35.90 C ATOM 855 CG ASP A 96 -14.334 13.434 -20.542 1.00 32.80 C ATOM 856 OD1 ASP A 96 -13.260 13.844 -21.030 1.00 31.54 O ATOM 857 OD2 ASP A 96 -15.361 13.245 -21.227 1.00 36.99 O ATOM 858 H ASP A 96 -13.732 10.602 -19.384 1.00 0.00 H ATOM 859 N LYS A 97 -12.866 13.442 -16.301 1.00 34.18 N ATOM 860 CA LYS A 97 -12.881 13.446 -14.842 1.00 35.66 C ATOM 861 C LYS A 97 -14.257 13.750 -14.273 1.00 37.78 C ATOM 862 O LYS A 97 -14.545 13.406 -13.127 1.00 40.54 O ATOM 863 CB LYS A 97 -11.898 14.481 -14.302 1.00 42.91 C ATOM 864 CG LYS A 97 -10.637 13.905 -13.708 1.00 38.01 C ATOM 865 CD LYS A 97 -9.847 14.997 -13.012 1.00 42.10 C ATOM 866 CE LYS A 97 -8.988 14.450 -11.889 1.00 56.96 C ATOM 867 NZ LYS A 97 -8.305 15.552 -11.154 1.00 84.32 N ATOM 868 HZ1 LYS A 97 -7.698 16.082 -11.812 1.00 0.00 H ATOM 869 HZ2 LYS A 97 -9.018 16.191 -10.748 1.00 0.00 H ATOM 870 HZ3 LYS A 97 -7.724 15.150 -10.391 1.00 0.00 H ATOM 871 H LYS A 97 -12.595 14.310 -16.805 1.00 0.00 H ATOM 872 N THR A 98 -15.104 14.394 -15.068 1.00 42.60 N ATOM 873 CA THR A 98 -16.440 14.740 -14.596 1.00 35.77 C ATOM 874 C THR A 98 -17.257 13.453 -14.605 1.00 37.12 C ATOM 875 O THR A 98 -17.285 12.755 -15.620 1.00 31.74 O ATOM 876 CB THR A 98 -17.141 15.842 -15.448 1.00 36.17 C ATOM 877 OG1 THR A 98 -18.463 15.414 -15.793 1.00 46.25 O ATOM 878 CG2 THR A 98 -16.371 16.188 -16.729 1.00 37.51 C ATOM 879 HG1 THR A 98 -18.411 14.576 -16.317 1.00 0.00 H ATOM 880 H THR A 98 -14.813 14.653 -16.032 1.00 0.00 H ATOM 881 N PRO A 99 -17.909 13.123 -13.473 1.00 29.99 N ATOM 882 CA PRO A 99 -18.651 11.859 -13.382 1.00 34.47 C ATOM 883 C PRO A 99 -19.652 11.659 -14.512 1.00 35.07 C ATOM 884 O PRO A 99 -20.348 12.600 -14.892 1.00 37.80 O ATOM 885 CB PRO A 99 -19.382 11.974 -12.041 1.00 28.75 C ATOM 886 CG PRO A 99 -18.573 12.916 -11.242 1.00 34.73 C ATOM 887 CD PRO A 99 -17.980 13.890 -12.215 1.00 35.78 C ATOM 888 N MET A 100 -19.711 10.437 -15.034 1.00 31.14 N ATOM 889 CA MET A 100 -20.601 10.108 -16.137 1.00 31.32 C ATOM 890 C MET A 100 -21.628 9.095 -15.659 1.00 33.82 C ATOM 891 O MET A 100 -21.258 8.030 -15.166 1.00 31.52 O ATOM 892 CB MET A 100 -19.834 9.527 -17.328 1.00 32.37 C ATOM 893 CG MET A 100 -20.739 9.194 -18.516 1.00 38.76 C ATOM 894 SD MET A 100 -19.991 8.113 -19.747 1.00 45.22 S ATOM 895 CE MET A 100 -21.434 7.730 -20.742 1.00 50.43 C ATOM 896 H MET A 100 -19.101 9.692 -14.641 1.00 0.00 H ATOM 897 N PRO A 101 -22.923 9.422 -15.795 1.00 29.83 N ATOM 898 CA PRO A 101 -23.938 8.421 -15.466 1.00 26.71 C ATOM 899 C PRO A 101 -23.764 7.191 -16.347 1.00 29.04 C ATOM 900 O PRO A 101 -23.728 7.334 -17.570 1.00 29.73 O ATOM 901 CB PRO A 101 -25.262 9.138 -15.759 1.00 30.71 C ATOM 902 CG PRO A 101 -24.929 10.584 -15.824 1.00 34.43 C ATOM 903 CD PRO A 101 -23.522 10.668 -16.302 1.00 36.50 C ATOM 904 N LEU A 102 -23.621 6.013 -15.746 1.00 28.29 N ATOM 905 CA LEU A 102 -23.480 4.787 -16.524 1.00 26.84 C ATOM 906 C LEU A 102 -24.668 4.644 -17.470 1.00 29.57 C ATOM 907 O LEU A 102 -25.816 4.646 -17.026 1.00 30.07 O ATOM 908 CB LEU A 102 -23.383 3.565 -15.606 1.00 33.07 C ATOM 909 CG LEU A 102 -22.050 3.256 -14.907 1.00 31.81 C ATOM 910 CD1 LEU A 102 -22.070 1.845 -14.332 1.00 29.18 C ATOM 911 CD2 LEU A 102 -20.854 3.424 -15.837 1.00 29.43 C ATOM 912 H LEU A 102 -23.610 5.965 -14.707 1.00 0.00 H ATOM 913 N PRO A 103 -24.403 4.516 -18.782 1.00 32.23 N ATOM 914 CA PRO A 103 -25.532 4.401 -19.707 1.00 30.57 C ATOM 915 C PRO A 103 -26.117 2.998 -19.654 1.00 30.14 C ATOM 916 O PRO A 103 -25.981 2.229 -20.605 1.00 25.66 O ATOM 917 CB PRO A 103 -24.895 4.702 -21.063 1.00 24.94 C ATOM 918 CG PRO A 103 -23.510 4.168 -20.922 1.00 32.59 C ATOM 919 CD PRO A 103 -23.112 4.447 -19.491 1.00 27.68 C ATOM 920 N LEU A 104 -26.772 2.685 -18.539 1.00 28.98 N ATOM 921 CA LEU A 104 -27.248 1.334 -18.273 1.00 27.20 C ATOM 922 C LEU A 104 -28.690 1.313 -17.783 1.00 28.94 C ATOM 923 O LEU A 104 -29.031 1.945 -16.781 1.00 30.11 O ATOM 924 CB LEU A 104 -26.340 0.653 -17.245 1.00 31.46 C ATOM 925 CG LEU A 104 -26.744 -0.748 -16.779 1.00 28.42 C ATOM 926 CD1 LEU A 104 -26.969 -1.682 -17.958 1.00 30.66 C ATOM 927 CD2 LEU A 104 -25.685 -1.313 -15.847 1.00 33.16 C ATOM 928 H LEU A 104 -26.950 3.429 -17.834 1.00 0.00 H ATOM 929 N LYS A 105 -29.529 0.582 -18.510 1.00 32.01 N ATOM 930 CA LYS A 105 -30.918 0.373 -18.122 1.00 30.17 C ATOM 931 C LYS A 105 -31.276 -1.101 -18.174 1.00 30.85 C ATOM 932 O LYS A 105 -30.813 -1.838 -19.046 1.00 33.67 O ATOM 933 CB LYS A 105 -31.873 1.157 -19.021 1.00 39.47 C ATOM 934 CG LYS A 105 -31.752 2.659 -18.919 1.00 33.33 C ATOM 935 CD LYS A 105 -32.860 3.320 -19.717 1.00 40.96 C ATOM 936 CE LYS A 105 -32.717 4.825 -19.748 1.00 41.26 C ATOM 937 NZ LYS A 105 -33.948 5.465 -20.292 1.00 56.22 N ATOM 938 HZ1 LYS A 105 -34.115 5.124 -21.260 1.00 0.00 H ATOM 939 HZ2 LYS A 105 -34.760 5.218 -19.691 1.00 0.00 H ATOM 940 HZ3 LYS A 105 -33.825 6.498 -20.303 1.00 0.00 H ATOM 941 H LYS A 105 -29.182 0.144 -19.387 1.00 0.00 H ATOM 942 N LEU A 106 -32.109 -1.518 -17.228 1.00 32.39 N ATOM 943 CA LEU A 106 -32.575 -2.892 -17.158 1.00 34.42 C ATOM 944 C LEU A 106 -34.091 -2.922 -17.312 1.00 34.54 C ATOM 945 O LEU A 106 -34.809 -2.196 -16.623 1.00 39.92 O ATOM 946 CB LEU A 106 -32.146 -3.526 -15.835 1.00 34.17 C ATOM 947 CG LEU A 106 -32.519 -4.986 -15.598 1.00 33.71 C ATOM 948 CD1 LEU A 106 -31.845 -5.884 -16.619 1.00 39.05 C ATOM 949 CD2 LEU A 106 -32.133 -5.391 -14.185 1.00 42.44 C ATOM 950 H LEU A 106 -32.439 -0.838 -16.513 1.00 0.00 H ATOM 951 N TYR A 107 -34.570 -3.704 -18.239 1.00 37.10 N ATOM 952 CA TYR A 107 -35.978 -3.863 -18.491 1.00 36.19 C ATOM 953 C TYR A 107 -36.396 -5.295 -18.143 1.00 41.95 C ATOM 954 O TYR A 107 -35.727 -6.231 -18.475 1.00 38.00 O ATOM 955 CB TYR A 107 -36.301 -3.550 -19.941 1.00 41.15 C ATOM 956 CG TYR A 107 -35.840 -2.192 -20.438 1.00 46.70 C ATOM 957 CD1 TYR A 107 -34.623 -2.031 -21.040 1.00 45.19 C ATOM 958 CD2 TYR A 107 -36.634 -1.090 -20.339 1.00 46.03 C ATOM 959 CE1 TYR A 107 -34.208 -0.820 -21.499 1.00 34.85 C ATOM 960 CE2 TYR A 107 -36.220 0.125 -20.797 1.00 39.16 C ATOM 961 CZ TYR A 107 -35.000 0.245 -21.356 1.00 45.00 C ATOM 962 OH TYR A 107 -34.591 1.443 -21.826 1.00 52.55 O ATOM 963 HH TYR A 107 -33.679 1.355 -22.201 1.00 0.00 H ATOM 964 H TYR A 107 -33.900 -4.240 -18.826 1.00 0.00 H ATOM 965 N ILE A 108 -37.519 -5.423 -17.456 1.00 45.79 N ATOM 966 CA ILE A 108 -38.060 -6.695 -17.022 1.00 48.38 C ATOM 967 C ILE A 108 -39.484 -6.866 -17.461 1.00 47.40 C ATOM 968 O ILE A 108 -40.314 -6.075 -17.136 1.00 48.02 O ATOM 969 CB ILE A 108 -38.132 -6.781 -15.485 1.00 49.97 C ATOM 970 CG1 ILE A 108 -36.785 -6.497 -14.852 1.00 48.49 C ATOM 971 CG2 ILE A 108 -38.657 -8.137 -15.046 1.00 50.15 C ATOM 972 CD1 ILE A 108 -36.842 -5.858 -13.478 1.00 51.75 C ATOM 973 H ILE A 108 -38.045 -4.559 -17.213 1.00 0.00 H ATOM 974 N THR A 109 -39.769 -7.929 -18.166 1.00 53.27 N ATOM 975 CA THR A 109 -41.128 -8.171 -18.607 1.00 59.30 C ATOM 976 C THR A 109 -41.901 -9.143 -17.715 1.00 56.22 C ATOM 977 O THR A 109 -41.724 -10.346 -17.804 1.00 63.28 O ATOM 978 CB THR A 109 -41.111 -8.680 -20.022 1.00 56.52 C ATOM 979 OG1 THR A 109 -40.154 -9.718 -20.112 1.00 58.39 O ATOM 980 CG2 THR A 109 -40.693 -7.597 -20.937 1.00 54.69 C ATOM 981 HG1 THR A 109 -40.402 -10.449 -19.492 1.00 0.00 H ATOM 982 H THR A 109 -39.017 -8.604 -18.412 1.00 0.00 H TER 983 THR A 109 ATOM 984 N VAL A 118 -44.562 -8.605 -8.350 1.00 67.43 N ATOM 985 CA VAL A 118 -43.986 -9.531 -7.389 1.00 66.59 C ATOM 986 C VAL A 118 -42.501 -9.239 -7.179 1.00 64.87 C ATOM 987 O VAL A 118 -41.622 -10.009 -7.571 1.00 63.87 O ATOM 988 CB VAL A 118 -44.173 -10.996 -7.828 1.00 60.84 C ATOM 989 CG1 VAL A 118 -45.531 -11.524 -7.418 1.00 59.22 C ATOM 990 CG2 VAL A 118 -43.975 -11.130 -9.378 1.00 62.42 C ATOM 991 HN3 VAL A 118 -44.068 -8.701 -9.260 1.00 0.00 H ATOM 992 HN2 VAL A 118 -44.457 -7.632 -7.998 1.00 0.00 H ATOM 993 HN1 VAL A 118 -45.571 -8.822 -8.477 1.00 0.00 H ATOM 994 N ILE A 119 -42.253 -8.095 -6.556 1.00 64.15 N ATOM 995 CA ILE A 119 -40.942 -7.714 -6.058 1.00 66.75 C ATOM 996 C ILE A 119 -41.172 -7.291 -4.626 1.00 67.94 C ATOM 997 O ILE A 119 -42.125 -6.567 -4.335 1.00 62.90 O ATOM 998 CB ILE A 119 -40.303 -6.563 -6.866 1.00 63.67 C ATOM 999 CG1 ILE A 119 -39.871 -7.060 -8.253 1.00 57.48 C ATOM 1000 CG2 ILE A 119 -39.120 -5.958 -6.101 1.00 61.86 C ATOM 1001 CD1 ILE A 119 -39.134 -6.030 -9.111 1.00 53.03 C ATOM 1002 H ILE A 119 -43.042 -7.432 -6.416 1.00 0.00 H ATOM 1003 N LYS A 120 -40.322 -7.776 -3.733 1.00 57.57 N ATOM 1004 CA LYS A 120 -40.428 -7.444 -2.326 1.00 55.35 C ATOM 1005 C LYS A 120 -39.338 -6.449 -1.959 1.00 51.52 C ATOM 1006 O LYS A 120 -38.188 -6.612 -2.350 1.00 51.60 O ATOM 1007 CB LYS A 120 -40.339 -8.712 -1.485 1.00 62.41 C ATOM 1008 CG LYS A 120 -41.240 -9.821 -1.998 1.00 57.83 C ATOM 1009 CD LYS A 120 -40.430 -10.997 -2.507 1.00 53.82 C ATOM 1010 CE LYS A 120 -41.316 -12.064 -3.129 1.00 54.10 C ATOM 1011 NZ LYS A 120 -40.551 -13.330 -3.299 1.00 47.12 N ATOM 1012 HZ1 LYS A 120 -39.734 -13.159 -3.920 1.00 0.00 H ATOM 1013 HZ2 LYS A 120 -40.219 -13.660 -2.370 1.00 0.00 H ATOM 1014 HZ3 LYS A 120 -41.167 -14.051 -3.725 1.00 0.00 H ATOM 1015 H LYS A 120 -39.561 -8.410 -4.049 1.00 0.00 H ATOM 1016 N ALA A 121 -39.704 -5.413 -1.215 1.00 54.21 N ATOM 1017 CA ALA A 121 -38.762 -4.352 -0.880 1.00 60.11 C ATOM 1018 C ALA A 121 -37.513 -4.897 -0.186 1.00 55.77 C ATOM 1019 O ALA A 121 -37.606 -5.648 0.785 1.00 57.69 O ATOM 1020 CB ALA A 121 -39.440 -3.308 -0.007 1.00 61.49 C ATOM 1021 H ALA A 121 -40.681 -5.357 -0.864 1.00 0.00 H ATOM 1022 N GLY A 122 -36.346 -4.514 -0.699 1.00 52.12 N ATOM 1023 CA GLY A 122 -35.077 -4.872 -0.088 1.00 46.78 C ATOM 1024 C GLY A 122 -34.413 -6.132 -0.616 1.00 43.22 C ATOM 1025 O GLY A 122 -33.337 -6.495 -0.140 1.00 43.35 O ATOM 1026 H GLY A 122 -36.342 -3.939 -1.566 1.00 0.00 H ATOM 1027 N GLU A 123 -35.036 -6.806 -1.583 1.00 42.31 N ATOM 1028 CA GLU A 123 -34.445 -8.014 -2.161 1.00 42.95 C ATOM 1029 C GLU A 123 -33.531 -7.676 -3.335 1.00 44.65 C ATOM 1030 O GLU A 123 -33.724 -6.667 -4.007 1.00 43.23 O ATOM 1031 CB GLU A 123 -35.527 -8.990 -2.635 1.00 40.86 C ATOM 1032 CG GLU A 123 -36.256 -8.574 -3.921 1.00 44.01 C ATOM 1033 CD GLU A 123 -36.958 -9.730 -4.612 1.00 46.35 C ATOM 1034 OE1 GLU A 123 -36.551 -10.894 -4.409 1.00 42.35 O ATOM 1035 OE2 GLU A 123 -37.928 -9.470 -5.357 1.00 49.50 O ATOM 1036 H GLU A 123 -35.956 -6.468 -1.932 1.00 0.00 H ATOM 1037 N VAL A 124 -32.553 -8.540 -3.588 1.00 48.27 N ATOM 1038 CA VAL A 124 -31.714 -8.436 -4.778 1.00 41.94 C ATOM 1039 C VAL A 124 -32.460 -9.000 -5.988 1.00 37.96 C ATOM 1040 O VAL A 124 -32.848 -10.168 -5.984 1.00 42.17 O ATOM 1041 CB VAL A 124 -30.380 -9.189 -4.590 1.00 43.69 C ATOM 1042 CG1 VAL A 124 -29.508 -9.074 -5.836 1.00 35.60 C ATOM 1043 CG2 VAL A 124 -29.637 -8.657 -3.376 1.00 37.42 C ATOM 1044 H VAL A 124 -32.380 -9.315 -2.916 1.00 0.00 H ATOM 1045 N ILE A 125 -32.650 -8.180 -7.022 1.00 36.97 N ATOM 1046 CA ILE A 125 -33.405 -8.601 -8.205 1.00 37.01 C ATOM 1047 C ILE A 125 -32.504 -8.798 -9.423 1.00 41.07 C ATOM 1048 O ILE A 125 -32.907 -9.421 -10.406 1.00 38.06 O ATOM 1049 CB ILE A 125 -34.519 -7.586 -8.561 1.00 43.70 C ATOM 1050 CG1 ILE A 125 -33.920 -6.261 -9.056 1.00 43.76 C ATOM 1051 CG2 ILE A 125 -35.434 -7.378 -7.357 1.00 49.85 C ATOM 1052 CD1 ILE A 125 -34.952 -5.211 -9.426 1.00 42.07 C ATOM 1053 H ILE A 125 -32.253 -7.219 -6.988 1.00 0.00 H ATOM 1054 N ALA A 126 -31.288 -8.264 -9.356 1.00 39.42 N ATOM 1055 CA ALA A 126 -30.302 -8.476 -10.411 1.00 35.41 C ATOM 1056 C ALA A 126 -28.885 -8.335 -9.870 1.00 30.69 C ATOM 1057 O ALA A 126 -28.634 -7.561 -8.945 1.00 29.73 O ATOM 1058 CB ALA A 126 -30.529 -7.496 -11.555 1.00 34.53 C ATOM 1059 H ALA A 126 -31.034 -7.682 -8.533 1.00 0.00 H ATOM 1060 N ARG A 127 -27.966 -9.096 -10.458 1.00 37.48 N ATOM 1061 CA ARG A 127 -26.549 -8.998 -10.136 1.00 30.17 C ATOM 1062 C ARG A 127 -25.776 -8.766 -11.429 1.00 29.61 C ATOM 1063 O ARG A 127 -25.664 -9.663 -12.265 1.00 36.08 O ATOM 1064 CB ARG A 127 -26.059 -10.262 -9.421 1.00 32.80 C ATOM 1065 CG ARG A 127 -26.844 -10.591 -8.156 1.00 40.11 C ATOM 1066 CD ARG A 127 -26.378 -11.889 -7.513 1.00 41.73 C ATOM 1067 NE ARG A 127 -27.268 -12.315 -6.432 1.00 33.16 N ATOM 1068 CZ ARG A 127 -27.229 -11.843 -5.189 1.00 38.51 C ATOM 1069 NH1 ARG A 127 -26.344 -10.914 -4.846 1.00 35.54 N ATOM 1070 NH2 ARG A 127 -28.085 -12.297 -4.283 1.00 41.27 N ATOM 1071 HE ARG A 127 -27.982 -13.039 -6.651 1.00 0.00 H ATOM 1072 HH12 ARG A 127 -26.322 -10.552 -3.871 1.00 0.00 H ATOM 1073 HH11 ARG A 127 -25.673 -10.549 -5.552 1.00 0.00 H ATOM 1074 HH22 ARG A 127 -28.056 -11.930 -3.311 1.00 0.00 H ATOM 1075 HH21 ARG A 127 -28.785 -13.020 -4.545 1.00 0.00 H ATOM 1076 H ARG A 127 -28.270 -9.786 -11.174 1.00 0.00 H ATOM 1077 N ILE A 128 -25.258 -7.552 -11.587 1.00 30.09 N ATOM 1078 CA ILE A 128 -24.595 -7.135 -12.819 1.00 27.06 C ATOM 1079 C ILE A 128 -23.083 -7.039 -12.630 1.00 24.50 C ATOM 1080 O ILE A 128 -22.596 -6.209 -11.862 1.00 27.61 O ATOM 1081 CB ILE A 128 -25.148 -5.776 -13.302 1.00 26.84 C ATOM 1082 CG1 ILE A 128 -26.659 -5.889 -13.541 1.00 26.11 C ATOM 1083 CG2 ILE A 128 -24.436 -5.322 -14.574 1.00 31.43 C ATOM 1084 CD1 ILE A 128 -27.340 -4.596 -13.938 1.00 31.27 C ATOM 1085 H ILE A 128 -25.328 -6.873 -10.802 1.00 0.00 H ATOM 1086 N HIS A 129 -22.350 -7.894 -13.339 1.00 30.76 N ATOM 1087 CA HIS A 129 -20.891 -7.898 -13.289 1.00 25.29 C ATOM 1088 C HIS A 129 -20.295 -6.997 -14.371 1.00 30.32 C ATOM 1089 O HIS A 129 -20.582 -7.159 -15.560 1.00 25.40 O ATOM 1090 CB HIS A 129 -20.354 -9.322 -13.444 1.00 30.79 C ATOM 1091 CG HIS A 129 -18.859 -9.400 -13.491 1.00 32.03 C ATOM 1092 ND1 HIS A 129 -18.185 -10.382 -14.186 1.00 35.80 N ATOM 1093 CD2 HIS A 129 -17.907 -8.619 -12.927 1.00 26.98 C ATOM 1094 CE1 HIS A 129 -16.884 -10.199 -14.052 1.00 42.25 C ATOM 1095 NE2 HIS A 129 -16.688 -9.136 -13.294 1.00 31.98 N ATOM 1096 H HIS A 129 -22.833 -8.583 -13.950 1.00 0.00 H ATOM 1097 N MET A 130 -19.458 -6.057 -13.940 1.00 24.05 N ATOM 1098 CA MET A 130 -18.827 -5.087 -14.829 1.00 26.35 C ATOM 1099 C MET A 130 -17.306 -5.236 -14.793 1.00 27.14 C ATOM 1100 O MET A 130 -16.715 -5.381 -13.722 1.00 25.94 O ATOM 1101 CB MET A 130 -19.238 -3.670 -14.426 1.00 25.78 C ATOM 1102 CG MET A 130 -18.753 -2.571 -15.353 1.00 22.71 C ATOM 1103 SD MET A 130 -19.387 -0.952 -14.858 1.00 25.44 S ATOM 1104 CE MET A 130 -18.065 -0.383 -13.799 1.00 24.25 C ATOM 1105 H MET A 130 -19.244 -6.011 -12.923 1.00 0.00 H ATOM 1106 N TYR A 131 -16.683 -5.191 -15.969 1.00 24.45 N ATOM 1107 CA TYR A 131 -15.237 -5.356 -16.100 1.00 26.00 C ATOM 1108 C TYR A 131 -14.570 -4.055 -16.528 1.00 28.17 C ATOM 1109 O TYR A 131 -15.059 -3.358 -17.419 1.00 24.09 O ATOM 1110 CB TYR A 131 -14.922 -6.468 -17.106 1.00 27.05 C ATOM 1111 CG TYR A 131 -13.452 -6.623 -17.438 1.00 28.52 C ATOM 1112 CD1 TYR A 131 -12.568 -7.199 -16.534 1.00 28.07 C ATOM 1113 CD2 TYR A 131 -12.954 -6.212 -18.667 1.00 25.87 C ATOM 1114 CE1 TYR A 131 -11.226 -7.347 -16.841 1.00 28.08 C ATOM 1115 CE2 TYR A 131 -11.615 -6.358 -18.983 1.00 26.21 C ATOM 1116 CZ TYR A 131 -10.756 -6.927 -18.067 1.00 27.01 C ATOM 1117 OH TYR A 131 -9.423 -7.074 -18.375 1.00 30.67 O ATOM 1118 HH TYR A 131 -8.954 -7.496 -17.612 1.00 0.00 H ATOM 1119 H TYR A 131 -17.248 -5.032 -16.828 1.00 0.00 H ATOM 1120 N LYS A 132 -13.457 -3.733 -15.874 1.00 22.24 N ATOM 1121 CA LYS A 132 -12.664 -2.557 -16.208 1.00 20.47 C ATOM 1122 C LYS A 132 -11.236 -2.964 -16.513 1.00 26.14 C ATOM 1123 O LYS A 132 -10.650 -3.763 -15.790 1.00 23.52 O ATOM 1124 CB LYS A 132 -12.672 -1.541 -15.061 1.00 20.42 C ATOM 1125 CG LYS A 132 -11.688 -0.385 -15.245 1.00 20.26 C ATOM 1126 CD LYS A 132 -10.428 -0.559 -14.404 1.00 21.10 C ATOM 1127 CE LYS A 132 -9.300 0.339 -14.898 1.00 25.14 C ATOM 1128 NZ LYS A 132 -8.072 0.248 -14.054 1.00 28.63 N ATOM 1129 HZ1 LYS A 132 -8.300 0.532 -13.080 1.00 0.00 H ATOM 1130 HZ2 LYS A 132 -7.722 -0.731 -14.057 1.00 0.00 H ATOM 1131 HZ3 LYS A 132 -7.341 0.880 -14.439 1.00 0.00 H ATOM 1132 H LYS A 132 -13.141 -4.344 -15.094 1.00 0.00 H ATOM 1133 N ILE A 133 -10.698 -2.440 -17.607 1.00 25.83 N ATOM 1134 CA ILE A 133 -9.267 -2.496 -17.868 1.00 24.97 C ATOM 1135 C ILE A 133 -8.899 -1.212 -18.599 1.00 29.00 C ATOM 1136 O ILE A 133 -9.658 -0.739 -19.446 1.00 20.68 O ATOM 1137 CB ILE A 133 -8.867 -3.745 -18.690 1.00 27.99 C ATOM 1138 CG1 ILE A 133 -7.344 -3.842 -18.799 1.00 30.88 C ATOM 1139 CG2 ILE A 133 -9.513 -3.725 -20.074 1.00 23.71 C ATOM 1140 CD1 ILE A 133 -6.851 -5.197 -19.269 1.00 30.33 C ATOM 1141 H ILE A 133 -11.318 -1.975 -18.300 1.00 0.00 H ATOM 1142 N ALA A 134 -7.743 -0.647 -18.269 1.00 23.75 N ATOM 1143 CA ALA A 134 -7.343 0.636 -18.825 1.00 21.68 C ATOM 1144 C ALA A 134 -6.476 0.418 -20.064 1.00 24.53 C ATOM 1145 O ALA A 134 -6.514 -0.656 -20.663 1.00 27.05 O ATOM 1146 CB ALA A 134 -6.610 1.461 -17.774 1.00 25.92 C ATOM 1147 H ALA A 134 -7.111 -1.132 -17.600 1.00 0.00 H ATOM 1148 N THR A 135 -5.701 1.431 -20.444 1.00 28.81 N ATOM 1149 CA THR A 135 -4.942 1.397 -21.691 1.00 21.47 C ATOM 1150 C THR A 135 -3.439 1.306 -21.449 1.00 26.95 C ATOM 1151 O THR A 135 -2.734 0.536 -22.101 1.00 24.49 O ATOM 1152 CB THR A 135 -5.222 2.663 -22.528 1.00 24.14 C ATOM 1153 OG1 THR A 135 -6.635 2.829 -22.700 1.00 24.65 O ATOM 1154 CG2 THR A 135 -4.545 2.580 -23.887 1.00 31.27 C ATOM 1155 HG1 THR A 135 -7.066 2.920 -21.813 1.00 0.00 H ATOM 1156 H THR A 135 -5.634 2.271 -19.835 1.00 0.00 H ATOM 1157 N LEU A 136 -2.961 2.108 -20.508 1.00 28.52 N ATOM 1158 CA LEU A 136 -1.541 2.182 -20.197 1.00 34.21 C ATOM 1159 C LEU A 136 -1.110 1.082 -19.228 1.00 32.72 C ATOM 1160 O LEU A 136 -1.855 0.706 -18.323 1.00 31.16 O ATOM 1161 CB LEU A 136 -1.224 3.571 -19.653 1.00 31.09 C ATOM 1162 CG LEU A 136 -0.689 4.547 -20.710 1.00 29.18 C ATOM 1163 CD1 LEU A 136 -1.462 4.495 -22.036 1.00 36.40 C ATOM 1164 CD2 LEU A 136 -0.666 5.956 -20.147 1.00 27.57 C ATOM 1165 H LEU A 136 -3.624 2.705 -19.973 1.00 0.00 H ATOM 1166 N GLY A 137 0.105 0.581 -19.427 1.00 30.60 N ATOM 1167 CA GLY A 137 0.659 -0.483 -18.609 1.00 33.94 C ATOM 1168 C GLY A 137 -0.124 -1.777 -18.734 1.00 27.30 C ATOM 1169 O GLY A 137 -0.429 -2.218 -19.842 1.00 32.49 O ATOM 1170 H GLY A 137 0.683 0.967 -20.201 1.00 0.00 H ATOM 1171 N SER A 138 -0.459 -2.382 -17.598 1.00 31.80 N ATOM 1172 CA SER A 138 -1.244 -3.611 -17.590 1.00 30.67 C ATOM 1173 C SER A 138 -2.722 -3.291 -17.760 1.00 32.74 C ATOM 1174 O SER A 138 -3.522 -4.153 -18.127 1.00 35.80 O ATOM 1175 CB SER A 138 -1.021 -4.389 -16.289 1.00 33.94 C ATOM 1176 OG SER A 138 -1.245 -3.570 -15.153 1.00 32.75 O ATOM 1177 HG SER A 138 -1.093 -4.100 -14.331 1.00 0.00 H ATOM 1178 H SER A 138 -0.154 -1.969 -16.694 1.00 0.00 H ATOM 1179 N GLY A 139 -3.067 -2.036 -17.490 1.00 30.79 N ATOM 1180 CA GLY A 139 -4.440 -1.581 -17.531 1.00 29.70 C ATOM 1181 C GLY A 139 -5.058 -1.729 -16.157 1.00 29.70 C ATOM 1182 O GLY A 139 -6.145 -1.208 -15.905 1.00 26.11 O ATOM 1183 H GLY A 139 -2.322 -1.355 -17.240 1.00 0.00 H ATOM 1184 N ASN A 140 -4.341 -2.424 -15.270 1.00 27.31 N ATOM 1185 CA ASN A 140 -4.794 -2.680 -13.905 1.00 28.28 C ATOM 1186 C ASN A 140 -6.272 -3.036 -13.874 1.00 28.27 C ATOM 1187 O ASN A 140 -7.091 -2.271 -13.363 1.00 20.69 O ATOM 1188 CB ASN A 140 -4.508 -1.477 -13.003 1.00 23.07 C ATOM 1189 CG ASN A 140 -3.022 -1.202 -12.859 1.00 38.47 C ATOM 1190 OD1 ASN A 140 -2.192 -2.087 -13.077 1.00 45.08 O ATOM 1191 ND2 ASN A 140 -2.678 0.023 -12.482 1.00 34.50 N ATOM 1192 HD22 ASN A 140 -3.412 0.739 -12.309 1.00 0.00 H ATOM 1193 HD21 ASN A 140 -1.674 0.267 -12.360 1.00 0.00 H ATOM 1194 H ASN A 140 -3.417 -2.800 -15.565 1.00 0.00 H ATOM 1195 N PRO A 141 -6.620 -4.196 -14.447 1.00 27.39 N ATOM 1196 CA PRO A 141 -8.029 -4.568 -14.575 1.00 24.76 C ATOM 1197 C PRO A 141 -8.735 -4.709 -13.232 1.00 19.99 C ATOM 1198 O PRO A 141 -8.146 -5.208 -12.275 1.00 23.88 O ATOM 1199 CB PRO A 141 -7.973 -5.906 -15.319 1.00 22.70 C ATOM 1200 CG PRO A 141 -6.634 -6.460 -15.001 1.00 26.93 C ATOM 1201 CD PRO A 141 -5.724 -5.270 -14.911 1.00 23.63 C ATOM 1202 N ARG A 142 -9.987 -4.265 -13.180 1.00 23.79 N ATOM 1203 CA ARG A 142 -10.798 -4.338 -11.970 1.00 24.19 C ATOM 1204 C ARG A 142 -12.168 -4.905 -12.296 1.00 28.24 C ATOM 1205 O ARG A 142 -12.662 -4.749 -13.413 1.00 30.46 O ATOM 1206 CB ARG A 142 -10.962 -2.958 -11.330 1.00 27.55 C ATOM 1207 CG ARG A 142 -9.670 -2.251 -10.974 1.00 24.05 C ATOM 1208 CD ARG A 142 -9.010 -2.863 -9.751 1.00 29.13 C ATOM 1209 NE ARG A 142 -7.874 -2.065 -9.295 1.00 39.29 N ATOM 1210 CZ ARG A 142 -7.970 -1.026 -8.468 1.00 51.38 C ATOM 1211 NH1 ARG A 142 -9.152 -0.647 -7.994 1.00 33.48 N ATOM 1212 NH2 ARG A 142 -6.881 -0.360 -8.109 1.00 57.99 N ATOM 1213 HE ARG A 142 -6.928 -2.326 -9.639 1.00 0.00 H ATOM 1214 HH12 ARG A 142 -9.217 0.166 -7.349 1.00 0.00 H ATOM 1215 HH11 ARG A 142 -10.012 -1.163 -8.268 1.00 0.00 H ATOM 1216 HH22 ARG A 142 -6.957 0.451 -7.463 1.00 0.00 H ATOM 1217 HH21 ARG A 142 -5.951 -0.649 -8.473 1.00 0.00 H ATOM 1218 H ARG A 142 -10.405 -3.849 -14.037 1.00 0.00 H ATOM 1219 N ASN A 143 -12.768 -5.573 -11.317 1.00 28.52 N ATOM 1220 CA ASN A 143 -14.121 -6.086 -11.455 1.00 26.49 C ATOM 1221 C ASN A 143 -15.067 -5.360 -10.512 1.00 27.83 C ATOM 1222 O ASN A 143 -14.723 -5.087 -9.360 1.00 29.02 O ATOM 1223 CB ASN A 143 -14.156 -7.591 -11.181 1.00 25.80 C ATOM 1224 CG ASN A 143 -13.510 -8.400 -12.288 1.00 25.82 C ATOM 1225 OD1 ASN A 143 -14.152 -8.737 -13.281 1.00 38.94 O ATOM 1226 ND2 ASN A 143 -12.234 -8.719 -12.120 1.00 31.80 N ATOM 1227 HD22 ASN A 143 -11.730 -8.412 -11.264 1.00 0.00 H ATOM 1228 HD21 ASN A 143 -11.737 -9.276 -12.845 1.00 0.00 H ATOM 1229 H ASN A 143 -12.255 -5.733 -10.427 1.00 0.00 H ATOM 1230 N PHE A 144 -16.254 -5.046 -11.019 1.00 28.66 N ATOM 1231 CA PHE A 144 -17.318 -4.448 -10.222 1.00 27.51 C ATOM 1232 C PHE A 144 -18.533 -5.358 -10.260 1.00 29.26 C ATOM 1233 O PHE A 144 -18.817 -5.977 -11.285 1.00 29.27 O ATOM 1234 CB PHE A 144 -17.712 -3.063 -10.745 1.00 27.30 C ATOM 1235 CG PHE A 144 -16.627 -2.031 -10.656 1.00 22.99 C ATOM 1236 CD1 PHE A 144 -16.697 -1.025 -9.707 1.00 22.65 C ATOM 1237 CD2 PHE A 144 -15.555 -2.045 -11.532 1.00 22.90 C ATOM 1238 CE1 PHE A 144 -15.713 -0.061 -9.623 1.00 26.65 C ATOM 1239 CE2 PHE A 144 -14.566 -1.085 -11.453 1.00 24.64 C ATOM 1240 CZ PHE A 144 -14.644 -0.091 -10.497 1.00 28.86 C ATOM 1241 H PHE A 144 -16.432 -5.235 -12.026 1.00 0.00 H ATOM 1242 N THR A 145 -19.253 -5.431 -9.147 1.00 32.92 N ATOM 1243 CA THR A 145 -20.557 -6.077 -9.133 1.00 29.00 C ATOM 1244 C THR A 145 -21.582 -5.128 -8.544 1.00 28.32 C ATOM 1245 O THR A 145 -21.405 -4.601 -7.445 1.00 28.42 O ATOM 1246 CB THR A 145 -20.551 -7.391 -8.330 1.00 34.35 C ATOM 1247 OG1 THR A 145 -19.764 -8.371 -9.017 1.00 35.55 O ATOM 1248 CG2 THR A 145 -21.976 -7.924 -8.147 1.00 31.59 C ATOM 1249 HG1 THR A 145 -19.762 -9.214 -8.498 1.00 0.00 H ATOM 1250 H THR A 145 -18.878 -5.019 -8.269 1.00 0.00 H ATOM 1251 N TRP A 146 -22.653 -4.914 -9.297 1.00 26.41 N ATOM 1252 CA TRP A 146 -23.769 -4.110 -8.841 1.00 26.66 C ATOM 1253 C TRP A 146 -24.928 -5.037 -8.505 1.00 32.68 C ATOM 1254 O TRP A 146 -25.513 -5.659 -9.394 1.00 26.30 O ATOM 1255 CB TRP A 146 -24.171 -3.100 -9.913 1.00 23.90 C ATOM 1256 CG TRP A 146 -23.007 -2.334 -10.455 1.00 23.27 C ATOM 1257 CD1 TRP A 146 -22.470 -2.440 -11.705 1.00 24.53 C ATOM 1258 CD2 TRP A 146 -22.228 -1.348 -9.766 1.00 23.20 C ATOM 1259 NE1 TRP A 146 -21.406 -1.580 -11.838 1.00 23.11 N ATOM 1260 CE2 TRP A 146 -21.238 -0.897 -10.663 1.00 23.55 C ATOM 1261 CE3 TRP A 146 -22.272 -0.802 -8.481 1.00 29.33 C ATOM 1262 CZ2 TRP A 146 -20.302 0.073 -10.315 1.00 26.78 C ATOM 1263 CZ3 TRP A 146 -21.340 0.163 -8.137 1.00 25.48 C ATOM 1264 CH2 TRP A 146 -20.369 0.590 -9.051 1.00 26.82 C ATOM 1265 HE1 TRP A 146 -20.823 -1.466 -12.692 1.00 0.00 H ATOM 1266 H TRP A 146 -22.693 -5.337 -10.246 1.00 0.00 H ATOM 1267 N ASN A 147 -25.243 -5.145 -7.220 1.00 29.68 N ATOM 1268 CA ASN A 147 -26.402 -5.909 -6.787 1.00 32.15 C ATOM 1269 C ASN A 147 -27.600 -4.981 -6.715 1.00 31.47 C ATOM 1270 O ASN A 147 -27.673 -4.114 -5.843 1.00 34.79 O ATOM 1271 CB ASN A 147 -26.146 -6.573 -5.433 1.00 26.23 C ATOM 1272 CG ASN A 147 -25.146 -7.710 -5.523 1.00 29.33 C ATOM 1273 OD1 ASN A 147 -25.003 -8.345 -6.567 1.00 29.37 O ATOM 1274 ND2 ASN A 147 -24.447 -7.970 -4.426 1.00 29.57 N ATOM 1275 HD22 ASN A 147 -24.601 -7.407 -3.565 1.00 0.00 H ATOM 1276 HD21 ASN A 147 -23.745 -8.737 -4.427 1.00 0.00 H ATOM 1277 H ASN A 147 -24.649 -4.674 -6.508 1.00 0.00 H ATOM 1278 N ILE A 148 -28.538 -5.160 -7.638 1.00 37.52 N ATOM 1279 CA ILE A 148 -29.668 -4.251 -7.746 1.00 33.86 C ATOM 1280 C ILE A 148 -30.772 -4.673 -6.790 1.00 39.51 C ATOM 1281 O ILE A 148 -31.315 -5.774 -6.895 1.00 34.48 O ATOM 1282 CB ILE A 148 -30.221 -4.201 -9.182 1.00 38.88 C ATOM 1283 CG1 ILE A 148 -29.078 -4.074 -10.195 1.00 33.53 C ATOM 1284 CG2 ILE A 148 -31.200 -3.045 -9.330 1.00 39.21 C ATOM 1285 CD1 ILE A 148 -28.051 -2.995 -9.862 1.00 29.82 C ATOM 1286 H ILE A 148 -28.463 -5.963 -8.294 1.00 0.00 H ATOM 1287 N ILE A 149 -31.095 -3.782 -5.859 1.00 41.32 N ATOM 1288 CA ILE A 149 -32.075 -4.067 -4.821 1.00 47.79 C ATOM 1289 C ILE A 149 -33.235 -3.085 -4.932 1.00 47.89 C ATOM 1290 O ILE A 149 -33.039 -1.871 -4.914 1.00 49.48 O ATOM 1291 CB ILE A 149 -31.447 -3.995 -3.413 1.00 45.89 C ATOM 1292 CG1 ILE A 149 -30.413 -5.109 -3.240 1.00 45.00 C ATOM 1293 CG2 ILE A 149 -32.523 -4.092 -2.336 1.00 50.77 C ATOM 1294 CD1 ILE A 149 -29.533 -4.953 -2.016 1.00 48.43 C ATOM 1295 H ILE A 149 -30.633 -2.851 -5.872 1.00 0.00 H ATOM 1296 N SER A 150 -34.445 -3.618 -5.046 1.00 45.62 N ATOM 1297 CA SER A 150 -35.635 -2.786 -5.159 1.00 53.97 C ATOM 1298 C SER A 150 -36.014 -2.150 -3.822 1.00 52.18 C ATOM 1299 O SER A 150 -36.275 -2.850 -2.844 1.00 52.14 O ATOM 1300 CB SER A 150 -36.803 -3.617 -5.694 1.00 54.77 C ATOM 1301 OG SER A 150 -37.975 -2.831 -5.824 1.00 62.25 O ATOM 1302 HG SER A 150 -38.226 -2.466 -4.939 1.00 0.00 H ATOM 1303 H SER A 150 -34.546 -4.653 -5.055 1.00 0.00 H ATOM 1304 N ASN A 151 -36.040 -0.819 -3.792 1.00 59.66 N ATOM 1305 CA ASN A 151 -36.369 -0.077 -2.577 1.00 60.36 C ATOM 1306 C ASN A 151 -37.837 -0.151 -2.210 1.00 65.65 C ATOM 1307 O ASN A 151 -38.220 0.337 -1.162 1.00 65.74 O ATOM 1308 CB ASN A 151 -35.960 1.396 -2.677 1.00 52.20 C ATOM 1309 CG ASN A 151 -34.538 1.644 -2.213 1.00 59.26 C ATOM 1310 OD1 ASN A 151 -33.952 0.831 -1.497 1.00 63.05 O ATOM 1311 ND2 ASN A 151 -33.997 2.803 -2.567 1.00 63.53 N ATOM 1312 HD22 ASN A 151 -34.527 3.461 -3.173 1.00 0.00 H ATOM 1313 HD21 ASN A 151 -33.043 3.054 -2.238 1.00 0.00 H ATOM 1314 H ASN A 151 -35.819 -0.291 -4.660 1.00 0.00 H ATOM 1315 N ASN A 152 -38.683 -0.639 -3.105 1.00 65.20 N ATOM 1316 CA ASN A 152 -40.079 -0.834 -2.740 1.00 62.40 C ATOM 1317 C ASN A 152 -40.618 -2.159 -3.242 1.00 60.93 C ATOM 1318 O ASN A 152 -40.018 -2.800 -4.107 1.00 57.05 O ATOM 1319 CB ASN A 152 -40.932 0.310 -3.282 1.00 64.43 C ATOM 1320 CG ASN A 152 -40.624 0.626 -4.729 1.00 58.60 C ATOM 1321 OD1 ASN A 152 -39.788 1.479 -5.023 1.00 55.28 O ATOM 1322 ND2 ASN A 152 -41.297 -0.063 -5.643 1.00 53.56 N ATOM 1323 HD22 ASN A 152 -41.995 -0.775 -5.348 1.00 0.00 H ATOM 1324 HD21 ASN A 152 -41.126 0.109 -6.654 1.00 0.00 H ATOM 1325 H ASN A 152 -38.353 -0.881 -4.061 1.00 0.00 H ATOM 1326 N SER A 153 -41.755 -2.571 -2.692 1.00 63.07 N ATOM 1327 CA SER A 153 -42.421 -3.762 -3.181 1.00 63.45 C ATOM 1328 C SER A 153 -43.008 -3.404 -4.539 1.00 57.89 C ATOM 1329 O SER A 153 -43.320 -2.239 -4.787 1.00 59.53 O ATOM 1330 CB SER A 153 -43.501 -4.236 -2.206 1.00 66.74 C ATOM 1331 OG SER A 153 -43.921 -5.552 -2.517 1.00 60.54 O ATOM 1332 HG SER A 153 -43.147 -6.167 -2.459 1.00 0.00 H ATOM 1333 H SER A 153 -42.171 -2.035 -1.904 1.00 0.00 H ATOM 1334 N VAL A 154 -43.150 -4.389 -5.420 1.00 55.80 N ATOM 1335 CA VAL A 154 -43.773 -4.150 -6.719 1.00 54.84 C ATOM 1336 C VAL A 154 -44.648 -5.334 -7.119 1.00 49.42 C ATOM 1337 O VAL A 154 -44.410 -6.464 -6.693 1.00 69.13 O ATOM 1338 CB VAL A 154 -42.720 -3.886 -7.819 1.00 65.33 C ATOM 1339 CG1 VAL A 154 -43.391 -3.680 -9.165 1.00 57.76 C ATOM 1340 CG2 VAL A 154 -41.832 -2.697 -7.455 1.00 60.13 C ATOM 1341 H VAL A 154 -42.813 -5.343 -5.181 1.00 0.00 H TER 1342 VAL A 154 HETATM 1343 O HOH 1 -47.979 1.451 -12.616 1.00 44.18 O HETATM 1344 O HOH 2 -36.744 3.207 -13.756 1.00 36.96 O HETATM 1345 O HOH 3 -6.943 9.626 -17.900 1.00 28.61 O HETATM 1346 O HOH 4 -3.596 1.923 -16.784 1.00 41.46 O HETATM 1347 O HOH 5 -25.693 8.446 -11.707 1.00 37.92 O HETATM 1348 O HOH 6 -13.611 -3.462 -20.841 1.00 28.50 O HETATM 1349 O HOH 7 -33.587 -12.922 -22.068 1.00 45.64 O HETATM 1350 O HOH 8 -11.135 0.884 -10.865 1.00 27.39 O HETATM 1351 O HOH 9 -8.692 1.788 -11.431 1.00 26.45 O HETATM 1352 O HOH 10 -28.450 9.481 -6.700 1.00 40.72 O HETATM 1353 O HOH 11 -16.649 -6.319 -25.123 1.00 28.53 O HETATM 1354 O HOH 12 -1.636 -5.510 -13.361 1.00 43.01 O HETATM 1355 O HOH 13 -23.876 -17.706 -24.124 1.00 37.10 O HETATM 1356 O HOH 14 -20.679 5.690 -3.688 1.00 36.84 O HETATM 1357 O HOH 15 -19.405 -1.900 -7.235 1.00 30.47 O HETATM 1358 O HOH 16 -18.594 -0.518 -2.450 1.00 34.97 O HETATM 1359 O HOH 17 -23.185 -2.156 -0.862 1.00 31.27 O HETATM 1360 O HOH 18 -20.129 -10.594 -4.784 1.00 32.71 O HETATM 1361 O HOH 19 -28.429 -13.700 -1.924 1.00 44.24 O HETATM 1362 O HOH 20 -26.634 -4.233 1.082 1.00 41.21 O HETATM 1363 O HOH 21 -26.702 9.502 -8.773 1.00 41.13 O HETATM 1364 O HOH 22 -27.182 -11.384 -23.852 1.00 47.76 O HETATM 1365 O HOH 23 -28.143 -13.624 -26.595 1.00 46.98 O HETATM 1366 O HOH 24 -2.476 9.124 -6.550 1.00 38.07 O HETATM 1367 O HOH 25 -0.290 -0.789 -14.796 1.00 39.84 O HETATM 1368 O HOH 26 -23.843 8.353 -8.640 1.00 39.55 O HETATM 1369 O HOH 27 -5.052 -2.621 -22.298 1.00 38.95 O HETATM 1370 O HOH 28 -15.482 9.906 -19.832 1.00 27.09 O HETATM 1371 O HOH 29 -12.572 0.294 -3.740 1.00 46.03 O HETATM 1372 O HOH 30 -44.365 0.132 -14.289 1.00 41.11 O HETATM 1373 O HOH 31 -22.973 -10.569 -4.324 1.00 33.72 O HETATM 1374 O HOH 32 -23.647 12.147 -11.860 1.00 39.09 O HETATM 1375 O HOH 33 -31.144 9.009 -8.062 1.00 39.61 O HETATM 1376 O HOH 34 -11.111 -6.357 -8.823 1.00 27.68 O HETATM 1377 O HOH 35 -14.631 10.342 -2.694 1.00 34.82 O HETATM 1378 O HOH 36 -40.379 6.017 -2.915 1.00 43.94 O HETATM 1379 O HOH 37 -18.560 -12.535 -25.323 1.00 35.91 O HETATM 1380 O HOH 38 -12.688 16.628 -16.929 1.00 30.65 O HETATM 1381 O HOH 39 -24.457 -11.360 -2.212 1.00 40.98 O HETATM 1382 O HOH 40 -49.595 -8.297 -10.989 1.00 43.37 O HETATM 1383 O HOH 41 -30.238 -15.245 -5.597 1.00 26.73 O HETATM 1384 O HOH 42 -13.326 -7.051 -6.966 1.00 42.72 O HETATM 1385 O HOH 43 -10.172 -8.193 -9.490 1.00 24.13 O HETATM 1386 O HOH 44 -9.814 3.934 -7.378 1.00 38.64 O HETATM 1387 O HOH 45 -1.421 4.229 -11.980 1.00 24.05 O HETATM 1388 O HOH 46 -33.457 9.247 -9.006 1.00 44.42 O HETATM 1389 O HOH 47 -7.401 16.791 -16.821 1.00 43.63 O HETATM 1390 O HOH 48 -34.666 -12.328 -24.122 1.00 38.88 O HETATM 1391 O HOH 49 -13.663 12.035 -6.174 1.00 48.43 O HETATM 1392 O HOH 50 -10.109 16.749 -17.293 1.00 43.27 O HETATM 1393 C17 TF A 0 -5.687 3.259 -12.537 1.00 0.13 C HETATM 1394 C16 TF A 0 -5.654 4.697 -12.080 1.00 0.19 C HETATM 1395 O15 TF A 0 -5.918 4.715 -10.694 1.00 -0.34 O HETATM 1396 C06 TF A 0 -5.078 5.586 -9.967 1.00 0.12 C HETATM 1397 C05 TF A 0 -4.802 4.974 -8.608 1.00 0.12 C HETATM 1398 N04 TF A 0 -3.980 3.824 -8.775 1.00 -0.28 N HETATM 1399 C02 TF A 0 -4.535 2.518 -8.793 1.00 0.17 C HETATM 1400 C01 TF A 0 -3.647 1.301 -8.976 1.00 0.03 C HETATM 1401 H5 TF A 0 -2.600 1.623 -9.075 1.00 0.05 H HETATM 1402 H6 TF A 0 -3.951 0.758 -9.883 1.00 0.05 H HETATM 1403 H7 TF A 0 -3.746 0.640 -8.102 1.00 0.05 H HETATM 1404 O03 TF A 0 -5.731 2.372 -8.665 1.00 -0.40 O HETATM 1405 H8 TF A 0 -2.992 3.939 -8.882 1.00 0.19 H HETATM 1406 C12 TF A 0 -4.079 5.959 -7.713 1.00 0.18 C HETATM 1407 O11 TF A 0 -4.765 7.189 -7.659 1.00 -0.34 O HETATM 1408 C08 TF A 0 -4.945 7.809 -8.909 1.00 0.11 C HETATM 1409 C07 TF A 0 -5.779 6.912 -9.795 1.00 0.11 C HETATM 1410 O14 TF A 0 -7.035 6.693 -9.200 1.00 -0.39 O HETATM 1411 H18 TF A 0 -7.556 6.129 -9.760 1.00 0.21 H HETATM 1412 H11 TF A 0 -5.915 7.389 -10.777 1.00 0.06 H HETATM 1413 C09 TF A 0 -5.642 9.138 -8.718 1.00 0.07 C HETATM 1414 O10 TF A 0 -4.833 9.991 -7.936 1.00 -0.39 O HETATM 1415 H15 TF A 0 -4.679 9.591 -7.088 1.00 0.21 H HETATM 1416 H13 TF A 0 -6.603 8.977 -8.208 1.00 0.06 H HETATM 1417 H14 TF A 0 -5.821 9.602 -9.699 1.00 0.06 H HETATM 1418 H12 TF A 0 -3.965 7.977 -9.379 1.00 0.06 H HETATM 1419 O13 TF A 0 -2.779 6.158 -8.212 1.00 -0.37 O HETATM 1420 H17 TF A 0 -2.829 6.528 -9.085 1.00 0.21 H HETATM 1421 H16 TF A 0 -4.017 5.542 -6.697 1.00 0.09 H HETATM 1422 H9 TF A 0 -5.754 4.685 -8.139 1.00 0.06 H HETATM 1423 H10 TF A 0 -4.132 5.733 -10.508 1.00 0.06 H HETATM 1424 O23 TF A 0 -6.635 5.437 -12.763 1.00 -0.34 O HETATM 1425 C20 TF A 0 -6.478 5.435 -14.165 1.00 0.11 C HETATM 1426 C21 TF A 0 -7.552 6.288 -14.811 1.00 0.07 C HETATM 1427 O22 TF A 0 -8.821 5.901 -14.333 1.00 -0.39 O HETATM 1428 H22 TF A 0 -8.974 4.988 -14.546 1.00 0.21 H HETATM 1429 H3 TF A 0 -7.517 6.155 -15.902 1.00 0.06 H HETATM 1430 H4 TF A 0 -7.376 7.346 -14.565 1.00 0.06 H HETATM 1431 C19 TF A 0 -6.584 4.021 -14.688 1.00 0.11 C HETATM 1432 C18 TF A 0 -5.507 3.189 -14.035 1.00 0.11 C HETATM 1433 O25 TF A 0 -5.598 1.851 -14.466 1.00 -0.39 O HETATM 1434 H24 TF A 0 -5.490 1.815 -15.409 1.00 0.21 H HETATM 1435 H20 TF A 0 -4.519 3.590 -14.306 1.00 0.06 H HETATM 1436 O24 TF A 0 -7.848 3.499 -14.365 1.00 -0.39 O HETATM 1437 H23 TF A 0 -8.522 4.026 -14.778 1.00 0.21 H HETATM 1438 H21 TF A 0 -6.450 4.015 -15.780 1.00 0.06 H HETATM 1439 H2 TF A 0 -5.489 5.844 -14.418 1.00 0.06 H HETATM 1440 H19 TF A 0 -4.663 5.131 -12.278 1.00 0.09 H HETATM 1441 O26 TF A 0 -4.641 2.560 -11.912 1.00 -0.38 O HETATM 1442 H25 TF A 0 -4.752 2.603 -10.969 1.00 0.21 H HETATM 1443 H1 TF A 0 -6.651 2.807 -12.262 1.00 0.07 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 28 27 349 CONECT 349 28 348 CONECT 984 985 991 992 993 CONECT 991 984 CONECT 992 984 CONECT 993 984 CONECT 1393 1394 1432 1441 1443 CONECT 1394 1393 1395 1424 1440 CONECT 1395 1394 1396 CONECT 1396 1395 1397 1409 1423 CONECT 1397 1396 1398 1406 1422 CONECT 1398 1397 1399 1405 CONECT 1399 1398 1400 1404 CONECT 1400 1399 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1399 CONECT 1405 1398 CONECT 1406 1397 1407 1419 1421 CONECT 1407 1406 1408 CONECT 1408 1407 1409 1413 1418 CONECT 1409 1396 1408 1410 1412 CONECT 1410 1409 1411 CONECT 1411 1410 CONECT 1412 1409 CONECT 1413 1408 1414 1416 1417 CONECT 1414 1413 1415 CONECT 1415 1414 CONECT 1416 1413 CONECT 1417 1413 CONECT 1418 1408 CONECT 1419 1406 1420 CONECT 1420 1419 CONECT 1421 1406 CONECT 1422 1397 CONECT 1423 1396 CONECT 1424 1394 1425 CONECT 1425 1424 1426 1431 1439 CONECT 1426 1425 1427 1429 1430 CONECT 1427 1426 1428 CONECT 1428 1427 CONECT 1429 1426 CONECT 1430 1426 CONECT 1431 1425 1432 1436 1438 CONECT 1432 1393 1431 1433 1435 CONECT 1433 1432 1434 CONECT 1434 1433 CONECT 1435 1432 CONECT 1436 1431 1437 CONECT 1437 1436 CONECT 1438 1431 CONECT 1439 1425 CONECT 1440 1394 CONECT 1441 1393 1442 CONECT 1442 1441 CONECT 1443 1393 MASTER 0 0 0 0 0 0 0 0 1441 2 61 12 END
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Structure:
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Related entries of code: 6aox
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5lne
RCSB PDB
PDBbind
164aa, >5LNE_1|Chains... at 100%
6as8
RCSB PDB
PDBbind
166aa, >6AS8_1|Chains... at 100%
6aro
RCSB PDB
PDBbind
166aa, >6ARO_1|Chains... at 100%
6arn
RCSB PDB
PDBbind
166aa, >6ARN_1|Chains... at 100%
6aoy
RCSB PDB
PDBbind
166aa, >6AOY_1|Chains... at 100%
6arm
RCSB PDB
PDBbind
166aa, >6ARM_1|Chains... at 100%
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
6aox
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Fml fimbrial adhesin FmlD
Ligand Name
TF0
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=15uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Proc.Natl.Acad.Sci.USA Vol. 115: pp. E2819-E2828
Ligand Properties
Formula
C
1
4
H
2
5
NO
1
1
Molecular Weight
383.348
Exact Mass
383.143
No. of atoms
51
No. of bonds
52
Polar Surface Area
198.4
LOGP Value
-4.18 (
Computed with XLOGP3
)
-4.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C
InChI String
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q1RBS0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
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