Browse entries in the PDBbind-CN Database
HEADER 3D9M_COMPLEX COMPND 3D9M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 140 MET GLU ALA VAL LYS THR PHE ASN SER GLU LEU TYR SER SEQRES 2 B 140 LEU ASN ASP TYR LYS PRO PRO ILE SER LYS ALA LYS MET SEQRES 3 B 140 THR GLN ILE THR LYS ALA ALA ILE LYS ALA ILE LYS PHE SEQRES 4 B 140 TYR LYS HIS VAL VAL GLN SER VAL GLU LYS PHE ILE GLN SEQRES 5 B 140 LYS CYS LYS PRO GLU TYR LYS VAL PRO GLY LEU TYR VAL SEQRES 6 B 140 ILE ASP SER ILE VAL ARG GLN SER ARG HIS GLN PHE GLY SEQRES 7 B 140 GLN GLU LYS ASP VAL PHE ALA PRO ARG PHE SER ASN ASN SEQRES 8 B 140 ILE ILE SER THR PHE GLN ASN LEU TYR ARG CYS PRO GLY SEQRES 9 B 140 ASP ASP LYS SER LYS ILE VAL ARG VAL LEU ASN LEU TRP SEQRES 10 B 140 GLN LYS ASN ASN VAL PHE LYS SER GLU ILE ILE GLN PRO SEQRES 11 B 140 LEU LEU ASP MET ALA ALA ALA LEU GLU HIS HET TYR A 228 102 ATOM 1 N MET B 1 34.389 24.214 7.361 1.00 43.27 N ATOM 2 CA MET B 1 32.943 24.428 7.068 1.00 43.21 C ATOM 3 C MET B 1 32.164 23.203 7.531 1.00 41.47 C ATOM 4 O MET B 1 32.156 22.184 6.852 1.00 40.84 O ATOM 5 CB MET B 1 32.730 24.686 5.567 1.00 43.53 C ATOM 6 CG MET B 1 33.507 25.891 5.038 1.00 44.85 C ATOM 7 SD MET B 1 33.833 25.829 3.266 1.00 46.63 S ATOM 8 CE MET B 1 34.971 27.214 3.130 1.00 44.84 C ATOM 9 HA MET B 1 32.582 25.306 7.604 1.00 0.00 H ATOM 10 HB2 MET B 1 33.049 23.801 5.016 1.00 0.00 H ATOM 11 HB3 MET B 1 31.668 24.857 5.394 1.00 0.00 H ATOM 12 HG2 MET B 1 34.462 25.941 5.561 1.00 0.00 H ATOM 13 HG3 MET B 1 32.931 26.791 5.250 1.00 0.00 H ATOM 14 HE1 MET B 1 34.474 28.125 3.463 1.00 0.00 H ATOM 15 HE2 MET B 1 35.845 27.027 3.754 1.00 0.00 H ATOM 16 HE3 MET B 1 35.282 27.327 2.091 1.00 0.00 H ATOM 17 HN3 MET B 1 34.723 23.370 6.854 1.00 0.00 H ATOM 18 HN2 MET B 1 34.518 24.079 8.384 1.00 0.00 H ATOM 19 HN1 MET B 1 34.931 25.045 7.049 1.00 0.00 H ATOM 20 N GLU B 2 31.555 23.311 8.714 1.00 39.91 N ATOM 21 CA GLU B 2 30.738 22.250 9.317 1.00 38.32 C ATOM 22 C GLU B 2 29.741 21.646 8.325 1.00 36.44 C ATOM 23 O GLU B 2 29.675 20.425 8.155 1.00 35.29 O ATOM 24 CB GLU B 2 29.964 22.812 10.510 1.00 38.96 C ATOM 25 CG GLU B 2 29.051 21.818 11.223 1.00 41.84 C ATOM 26 CD GLU B 2 29.693 21.177 12.442 1.00 46.13 C ATOM 27 OE1 GLU B 2 30.899 20.827 12.391 1.00 47.11 O ATOM 28 OE2 GLU B 2 28.977 21.023 13.462 1.00 48.68 O ATOM 29 HA GLU B 2 31.420 21.461 9.633 1.00 0.00 H ATOM 30 HB2 GLU B 2 30.687 23.185 11.235 1.00 0.00 H ATOM 31 HB3 GLU B 2 29.349 23.638 10.154 1.00 0.00 H ATOM 32 HG2 GLU B 2 28.150 22.343 11.542 1.00 0.00 H ATOM 33 HG3 GLU B 2 28.781 21.030 10.520 1.00 0.00 H ATOM 34 H GLU B 2 31.666 24.201 9.241 1.00 0.00 H ATOM 35 N ALA B 3 28.949 22.511 7.694 1.00 34.44 N ATOM 36 CA ALA B 3 27.911 22.047 6.785 1.00 32.96 C ATOM 37 C ALA B 3 28.497 21.273 5.611 1.00 31.80 C ATOM 38 O ALA B 3 27.899 20.303 5.141 1.00 32.06 O ATOM 39 CB ALA B 3 27.063 23.220 6.290 1.00 33.13 C ATOM 40 HA ALA B 3 27.268 21.364 7.341 1.00 0.00 H ATOM 41 HB1 ALA B 3 26.593 23.712 7.142 1.00 0.00 H ATOM 42 HB2 ALA B 3 27.700 23.931 5.765 1.00 0.00 H ATOM 43 HB3 ALA B 3 26.294 22.850 5.612 1.00 0.00 H ATOM 44 H ALA B 3 29.074 23.531 7.853 1.00 0.00 H ATOM 45 N VAL B 4 29.667 21.702 5.141 1.00 30.98 N ATOM 46 CA VAL B 4 30.303 21.054 3.991 1.00 29.84 C ATOM 47 C VAL B 4 30.835 19.686 4.428 1.00 28.91 C ATOM 48 O VAL B 4 30.623 18.704 3.731 1.00 27.61 O ATOM 49 CB VAL B 4 31.401 21.940 3.363 1.00 30.60 C ATOM 50 CG1 VAL B 4 32.200 21.186 2.305 1.00 32.09 C ATOM 51 CG2 VAL B 4 30.735 23.157 2.708 1.00 30.62 C ATOM 52 HA VAL B 4 29.563 20.909 3.204 1.00 0.00 H ATOM 53 HB VAL B 4 32.088 22.244 4.153 1.00 0.00 H ATOM 54 HG11 VAL B 4 32.678 20.319 2.762 1.00 0.00 H ATOM 55 HG12 VAL B 4 31.529 20.857 1.511 1.00 0.00 H ATOM 56 HG13 VAL B 4 32.962 21.845 1.889 1.00 0.00 H ATOM 57 HG21 VAL B 4 30.044 22.819 1.936 1.00 0.00 H ATOM 58 HG22 VAL B 4 30.190 23.722 3.464 1.00 0.00 H ATOM 59 HG23 VAL B 4 31.500 23.791 2.260 1.00 0.00 H ATOM 60 H VAL B 4 30.137 22.510 5.598 1.00 0.00 H ATOM 61 N LYS B 5 31.465 19.633 5.598 1.00 28.05 N ATOM 62 CA LYS B 5 31.944 18.341 6.152 1.00 27.01 C ATOM 63 C LYS B 5 30.809 17.338 6.347 1.00 26.97 C ATOM 64 O LYS B 5 30.986 16.147 6.060 1.00 26.94 O ATOM 65 CB LYS B 5 32.693 18.532 7.467 1.00 27.43 C ATOM 66 CG LYS B 5 33.966 19.310 7.314 1.00 26.83 C ATOM 67 CD LYS B 5 34.769 19.263 8.583 1.00 27.87 C ATOM 68 CE LYS B 5 36.029 20.042 8.410 1.00 30.56 C ATOM 69 NZ LYS B 5 36.939 19.760 9.548 1.00 31.81 N ATOM 70 HA LYS B 5 32.634 17.935 5.412 1.00 0.00 H ATOM 71 HB2 LYS B 5 32.043 19.064 8.162 1.00 0.00 H ATOM 72 HB3 LYS B 5 32.934 17.550 7.875 1.00 0.00 H ATOM 73 HG2 LYS B 5 34.553 18.881 6.502 1.00 0.00 H ATOM 74 HG3 LYS B 5 33.727 20.347 7.079 1.00 0.00 H ATOM 75 HD2 LYS B 5 34.186 19.693 9.397 1.00 0.00 H ATOM 76 HD3 LYS B 5 35.013 18.227 8.820 1.00 0.00 H ATOM 77 HE2 LYS B 5 35.798 21.107 8.383 1.00 0.00 H ATOM 78 HE3 LYS B 5 36.512 19.752 7.477 1.00 0.00 H ATOM 79 HZ1 LYS B 5 36.476 20.037 10.437 1.00 0.00 H ATOM 80 HZ2 LYS B 5 37.158 18.743 9.572 1.00 0.00 H ATOM 81 HZ3 LYS B 5 37.819 20.302 9.430 1.00 0.00 H ATOM 82 H LYS B 5 31.625 20.510 6.133 1.00 0.00 H ATOM 83 N THR B 6 29.661 17.811 6.845 1.00 26.34 N ATOM 84 CA THR B 6 28.464 16.982 7.012 1.00 27.23 C ATOM 85 C THR B 6 27.972 16.445 5.665 1.00 27.03 C ATOM 86 O THR B 6 27.657 15.251 5.523 1.00 27.42 O ATOM 87 CB THR B 6 27.342 17.775 7.682 1.00 27.75 C ATOM 88 OG1 THR B 6 27.796 18.206 8.972 1.00 28.89 O ATOM 89 CG2 THR B 6 26.065 16.943 7.831 1.00 29.15 C ATOM 90 HA THR B 6 28.738 16.141 7.649 1.00 0.00 H ATOM 91 HB THR B 6 27.098 18.632 7.054 1.00 0.00 H ATOM 92 HG1 THR B 6 28.597 18.778 8.865 1.00 0.00 H ATOM 93 HG23 THR B 6 25.727 16.620 6.847 1.00 0.00 H ATOM 94 HG21 THR B 6 26.272 16.070 8.450 1.00 0.00 H ATOM 95 HG22 THR B 6 25.291 17.549 8.302 1.00 0.00 H ATOM 96 H THR B 6 29.616 18.811 7.126 1.00 0.00 H ATOM 97 N PHE B 7 27.898 17.331 4.677 1.00 26.71 N ATOM 98 CA PHE B 7 27.561 16.888 3.330 1.00 26.18 C ATOM 99 C PHE B 7 28.575 15.830 2.802 1.00 26.56 C ATOM 100 O PHE B 7 28.167 14.782 2.261 1.00 26.32 O ATOM 101 CB PHE B 7 27.458 18.048 2.335 1.00 26.95 C ATOM 102 CG PHE B 7 27.213 17.559 0.953 1.00 26.33 C ATOM 103 CD1 PHE B 7 25.946 17.054 0.597 1.00 27.33 C ATOM 104 CD2 PHE B 7 28.257 17.507 0.024 1.00 27.19 C ATOM 105 CE1 PHE B 7 25.725 16.507 -0.675 1.00 25.55 C ATOM 106 CE2 PHE B 7 28.030 16.975 -1.263 1.00 26.12 C ATOM 107 CZ PHE B 7 26.767 16.483 -1.602 1.00 26.72 C ATOM 108 HA PHE B 7 26.577 16.427 3.408 1.00 0.00 H ATOM 109 HB2 PHE B 7 26.635 18.698 2.632 1.00 0.00 H ATOM 110 HB3 PHE B 7 28.390 18.613 2.351 1.00 0.00 H ATOM 111 HD2 PHE B 7 29.246 17.877 0.294 1.00 0.00 H ATOM 112 HE2 PHE B 7 28.840 16.948 -1.992 1.00 0.00 H ATOM 113 HZ PHE B 7 26.595 16.077 -2.599 1.00 0.00 H ATOM 114 HE1 PHE B 7 24.747 16.104 -0.937 1.00 0.00 H ATOM 115 HD1 PHE B 7 25.129 17.089 1.318 1.00 0.00 H ATOM 116 H PHE B 7 28.080 18.338 4.865 1.00 0.00 H ATOM 117 N ASN B 8 29.869 16.135 2.931 1.00 26.25 N ATOM 118 CA ASN B 8 30.933 15.199 2.494 1.00 26.21 C ATOM 119 C ASN B 8 30.738 13.808 3.116 1.00 26.43 C ATOM 120 O ASN B 8 30.841 12.784 2.416 1.00 26.44 O ATOM 121 CB ASN B 8 32.321 15.745 2.834 1.00 26.49 C ATOM 122 CG ASN B 8 32.715 16.931 1.958 1.00 28.06 C ATOM 123 OD1 ASN B 8 32.103 17.160 0.911 1.00 28.58 O ATOM 124 ND2 ASN B 8 33.761 17.650 2.358 1.00 27.95 N ATOM 125 HA ASN B 8 30.859 15.102 1.411 1.00 0.00 H ATOM 126 HB2 ASN B 8 32.326 16.064 3.876 1.00 0.00 H ATOM 127 HB3 ASN B 8 33.053 14.950 2.695 1.00 0.00 H ATOM 128 HD22 ASN B 8 34.243 17.416 3.250 1.00 0.00 H ATOM 129 HD21 ASN B 8 34.097 18.446 1.779 1.00 0.00 H ATOM 130 H ASN B 8 30.136 17.050 3.347 1.00 0.00 H ATOM 131 N SER B 9 30.432 13.787 4.416 1.00 25.37 N ATOM 132 CA SER B 9 30.143 12.525 5.108 1.00 25.92 C ATOM 133 C SER B 9 28.969 11.762 4.493 1.00 26.40 C ATOM 134 O SER B 9 29.082 10.555 4.251 1.00 25.41 O ATOM 135 CB SER B 9 29.943 12.742 6.612 1.00 25.50 C ATOM 136 OG SER B 9 31.191 12.849 7.285 1.00 25.20 O ATOM 137 HA SER B 9 31.022 11.895 4.973 1.00 0.00 H ATOM 138 HB2 SER B 9 29.388 11.899 7.023 1.00 0.00 H ATOM 139 HB3 SER B 9 29.375 13.659 6.767 1.00 0.00 H ATOM 140 HG SER B 9 31.709 12.016 7.151 1.00 0.00 H ATOM 141 H SER B 9 30.398 14.680 4.947 1.00 0.00 H ATOM 142 N GLU B 10 27.862 12.454 4.210 1.00 26.33 N ATOM 143 CA GLU B 10 26.687 11.795 3.617 1.00 27.22 C ATOM 144 C GLU B 10 27.011 11.254 2.230 1.00 26.95 C ATOM 145 O GLU B 10 26.691 10.107 1.894 1.00 27.35 O ATOM 146 CB GLU B 10 25.505 12.771 3.534 1.00 27.57 C ATOM 147 CG GLU B 10 24.803 13.045 4.888 1.00 30.77 C ATOM 148 CD GLU B 10 24.184 11.787 5.521 1.00 35.82 C ATOM 149 OE1 GLU B 10 23.919 10.793 4.805 1.00 36.45 O ATOM 150 OE2 GLU B 10 23.976 11.794 6.748 1.00 39.14 O ATOM 151 HA GLU B 10 26.411 10.960 4.261 1.00 0.00 H ATOM 152 HB2 GLU B 10 25.873 13.719 3.143 1.00 0.00 H ATOM 153 HB3 GLU B 10 24.768 12.357 2.846 1.00 0.00 H ATOM 154 HG2 GLU B 10 25.537 13.455 5.581 1.00 0.00 H ATOM 155 HG3 GLU B 10 24.011 13.776 4.725 1.00 0.00 H ATOM 156 H GLU B 10 27.830 13.474 4.412 1.00 0.00 H ATOM 157 N LEU B 11 27.696 12.071 1.442 1.00 26.81 N ATOM 158 CA LEU B 11 28.049 11.703 0.078 1.00 27.67 C ATOM 159 C LEU B 11 28.997 10.506 0.049 1.00 27.92 C ATOM 160 O LEU B 11 28.763 9.511 -0.668 1.00 26.92 O ATOM 161 CB LEU B 11 28.668 12.910 -0.651 1.00 27.56 C ATOM 162 CG LEU B 11 29.129 12.650 -2.091 1.00 28.05 C ATOM 163 CD1 LEU B 11 27.982 12.161 -2.968 1.00 29.54 C ATOM 164 CD2 LEU B 11 29.784 13.920 -2.647 1.00 28.58 C ATOM 165 HA LEU B 11 27.137 11.408 -0.441 1.00 0.00 H ATOM 166 HB2 LEU B 11 27.923 13.705 -0.676 1.00 0.00 H ATOM 167 HB3 LEU B 11 29.533 13.242 -0.076 1.00 0.00 H ATOM 168 HG LEU B 11 29.869 11.850 -2.092 1.00 0.00 H ATOM 169 HD21 LEU B 11 29.061 14.735 -2.635 1.00 0.00 H ATOM 170 HD22 LEU B 11 30.642 14.185 -2.029 1.00 0.00 H ATOM 171 HD23 LEU B 11 30.113 13.739 -3.670 1.00 0.00 H ATOM 172 HD11 LEU B 11 27.585 11.231 -2.560 1.00 0.00 H ATOM 173 HD12 LEU B 11 27.195 12.915 -2.989 1.00 0.00 H ATOM 174 HD13 LEU B 11 28.348 11.988 -3.980 1.00 0.00 H ATOM 175 H LEU B 11 27.989 12.999 1.808 1.00 0.00 H ATOM 176 N TYR B 12 30.073 10.574 0.822 1.00 27.29 N ATOM 177 CA TYR B 12 31.052 9.498 0.793 1.00 27.57 C ATOM 178 C TYR B 12 30.456 8.199 1.348 1.00 27.01 C ATOM 179 O TYR B 12 30.881 7.114 0.967 1.00 27.34 O ATOM 180 CB TYR B 12 32.326 9.889 1.544 1.00 28.89 C ATOM 181 CG TYR B 12 33.466 8.924 1.323 1.00 30.18 C ATOM 182 CD1 TYR B 12 33.632 7.804 2.136 1.00 32.21 C ATOM 183 CD2 TYR B 12 34.357 9.110 0.267 1.00 32.69 C ATOM 184 CE1 TYR B 12 34.665 6.905 1.907 1.00 32.24 C ATOM 185 CE2 TYR B 12 35.404 8.229 0.047 1.00 33.69 C ATOM 186 CZ TYR B 12 35.548 7.129 0.862 1.00 31.23 C ATOM 187 OH TYR B 12 36.581 6.256 0.637 1.00 33.12 O ATOM 188 HA TYR B 12 31.325 9.322 -0.248 1.00 0.00 H ATOM 189 HB3 TYR B 12 32.103 9.924 2.610 1.00 0.00 H ATOM 190 HB2 TYR B 12 32.638 10.877 1.207 1.00 0.00 H ATOM 191 HD2 TYR B 12 34.228 9.964 -0.398 1.00 0.00 H ATOM 192 HE2 TYR B 12 36.109 8.406 -0.766 1.00 0.00 H ATOM 193 HE1 TYR B 12 34.781 6.029 2.545 1.00 0.00 H ATOM 194 HD1 TYR B 12 32.942 7.632 2.962 1.00 0.00 H ATOM 195 HH TYR B 12 36.545 5.525 1.304 1.00 0.00 H ATOM 196 H TYR B 12 30.216 11.393 1.446 1.00 0.00 H ATOM 197 N SER B 13 29.457 8.323 2.221 1.00 26.66 N ATOM 198 CA SER B 13 28.794 7.161 2.833 1.00 26.90 C ATOM 199 C SER B 13 28.132 6.245 1.784 1.00 26.19 C ATOM 200 O SER B 13 27.820 5.092 2.081 1.00 25.40 O ATOM 201 CB SER B 13 27.775 7.608 3.889 1.00 27.45 C ATOM 202 OG SER B 13 26.548 8.029 3.313 1.00 29.82 O ATOM 203 HA SER B 13 29.569 6.574 3.325 1.00 0.00 H ATOM 204 HB2 SER B 13 28.199 8.437 4.456 1.00 0.00 H ATOM 205 HB3 SER B 13 27.578 6.773 4.561 1.00 0.00 H ATOM 206 HG SER B 13 26.715 8.793 2.706 1.00 0.00 H ATOM 207 H SER B 13 29.134 9.277 2.479 1.00 0.00 H ATOM 208 N LEU B 14 27.923 6.761 0.571 1.00 26.29 N ATOM 209 CA LEU B 14 27.504 5.893 -0.563 1.00 26.42 C ATOM 210 C LEU B 14 28.369 4.660 -0.697 1.00 25.90 C ATOM 211 O LEU B 14 27.888 3.590 -1.084 1.00 25.52 O ATOM 212 CB LEU B 14 27.529 6.657 -1.894 1.00 26.62 C ATOM 213 CG LEU B 14 26.435 7.708 -2.122 1.00 26.66 C ATOM 214 CD1 LEU B 14 26.643 8.360 -3.469 1.00 28.31 C ATOM 215 CD2 LEU B 14 25.031 7.077 -2.028 1.00 28.45 C ATOM 216 HA LEU B 14 26.484 5.582 -0.336 1.00 0.00 H ATOM 217 HB2 LEU B 14 28.491 7.165 -1.962 1.00 0.00 H ATOM 218 HB3 LEU B 14 27.450 5.922 -2.695 1.00 0.00 H ATOM 219 HG LEU B 14 26.503 8.466 -1.342 1.00 0.00 H ATOM 220 HD21 LEU B 14 24.932 6.300 -2.786 1.00 0.00 H ATOM 221 HD22 LEU B 14 24.896 6.641 -1.038 1.00 0.00 H ATOM 222 HD23 LEU B 14 24.277 7.846 -2.194 1.00 0.00 H ATOM 223 HD11 LEU B 14 27.622 8.840 -3.492 1.00 0.00 H ATOM 224 HD12 LEU B 14 26.590 7.602 -4.250 1.00 0.00 H ATOM 225 HD13 LEU B 14 25.867 9.107 -3.633 1.00 0.00 H ATOM 226 H LEU B 14 28.054 7.781 0.417 1.00 0.00 H ATOM 227 N ASN B 15 29.655 4.797 -0.366 1.00 25.36 N ATOM 228 CA ASN B 15 30.593 3.691 -0.463 1.00 25.16 C ATOM 229 C ASN B 15 30.302 2.544 0.495 1.00 24.65 C ATOM 230 O ASN B 15 30.832 1.439 0.336 1.00 25.07 O ATOM 231 CB ASN B 15 32.014 4.186 -0.241 1.00 25.41 C ATOM 232 CG ASN B 15 32.573 4.862 -1.460 1.00 28.33 C ATOM 233 OD1 ASN B 15 32.743 4.226 -2.505 1.00 33.13 O ATOM 234 ND2 ASN B 15 32.860 6.144 -1.349 1.00 24.68 N ATOM 235 HA ASN B 15 30.476 3.292 -1.471 1.00 0.00 H ATOM 236 HB2 ASN B 15 32.014 4.896 0.586 1.00 0.00 H ATOM 237 HB3 ASN B 15 32.647 3.336 0.011 1.00 0.00 H ATOM 238 HD22 ASN B 15 32.699 6.637 -0.447 1.00 0.00 H ATOM 239 HD21 ASN B 15 33.247 6.663 -2.163 1.00 0.00 H ATOM 240 H ASN B 15 29.995 5.720 -0.029 1.00 0.00 H ATOM 241 N ASP B 16 29.458 2.811 1.485 1.00 25.17 N ATOM 242 CA ASP B 16 29.084 1.800 2.475 1.00 26.22 C ATOM 243 C ASP B 16 27.827 1.021 2.048 1.00 26.72 C ATOM 244 O ASP B 16 27.338 0.172 2.794 1.00 26.90 O ATOM 245 CB ASP B 16 28.841 2.457 3.836 1.00 26.27 C ATOM 246 CG ASP B 16 30.129 2.914 4.530 1.00 29.32 C ATOM 247 OD1 ASP B 16 31.236 2.451 4.182 1.00 28.43 O ATOM 248 OD2 ASP B 16 30.014 3.727 5.471 1.00 34.04 O ATOM 249 HA ASP B 16 29.911 1.094 2.549 1.00 0.00 H ATOM 250 HB2 ASP B 16 28.199 3.326 3.691 1.00 0.00 H ATOM 251 HB3 ASP B 16 28.337 1.738 4.482 1.00 0.00 H ATOM 252 H ASP B 16 29.051 3.765 1.559 1.00 0.00 H ATOM 253 N TYR B 17 27.295 1.326 0.862 1.00 27.44 N ATOM 254 CA TYR B 17 26.090 0.648 0.374 1.00 28.87 C ATOM 255 C TYR B 17 26.275 0.047 -1.002 1.00 28.78 C ATOM 256 O TYR B 17 27.003 0.581 -1.825 1.00 29.31 O ATOM 257 CB TYR B 17 24.911 1.622 0.343 1.00 30.03 C ATOM 258 CG TYR B 17 24.611 2.225 1.688 1.00 31.74 C ATOM 259 CD1 TYR B 17 23.773 1.572 2.595 1.00 34.70 C ATOM 260 CD2 TYR B 17 25.188 3.437 2.071 1.00 32.44 C ATOM 261 CE1 TYR B 17 23.509 2.115 3.839 1.00 35.64 C ATOM 262 CE2 TYR B 17 24.927 3.990 3.306 1.00 34.13 C ATOM 263 CZ TYR B 17 24.086 3.331 4.182 1.00 35.44 C ATOM 264 OH TYR B 17 23.828 3.883 5.415 1.00 36.84 O ATOM 265 HA TYR B 17 25.889 -0.168 1.068 1.00 0.00 H ATOM 266 HB3 TYR B 17 24.027 1.087 -0.003 1.00 0.00 H ATOM 267 HB2 TYR B 17 25.143 2.427 -0.355 1.00 0.00 H ATOM 268 HD2 TYR B 17 25.856 3.954 1.382 1.00 0.00 H ATOM 269 HE2 TYR B 17 25.380 4.940 3.589 1.00 0.00 H ATOM 270 HE1 TYR B 17 22.857 1.596 4.541 1.00 0.00 H ATOM 271 HD1 TYR B 17 23.320 0.620 2.318 1.00 0.00 H ATOM 272 HH TYR B 17 23.213 3.292 5.917 1.00 0.00 H ATOM 273 H TYR B 17 27.743 2.057 0.274 1.00 0.00 H ATOM 274 N LYS B 18 25.582 -1.054 -1.263 1.00 28.77 N ATOM 275 CA LYS B 18 25.567 -1.637 -2.583 1.00 29.37 C ATOM 276 C LYS B 18 24.439 -0.974 -3.381 1.00 29.41 C ATOM 277 O LYS B 18 23.293 -0.961 -2.926 1.00 30.00 O ATOM 278 CB LYS B 18 25.358 -3.157 -2.479 1.00 29.98 C ATOM 279 CG LYS B 18 25.545 -3.912 -3.774 1.00 32.34 C ATOM 280 CD LYS B 18 25.273 -5.389 -3.548 1.00 34.61 C ATOM 281 CE LYS B 18 25.070 -6.148 -4.844 1.00 35.38 C ATOM 282 NZ LYS B 18 24.699 -7.563 -4.535 1.00 37.14 N ATOM 283 HA LYS B 18 26.516 -1.470 -3.092 1.00 0.00 H ATOM 284 HB2 LYS B 18 26.070 -3.549 -1.752 1.00 0.00 H ATOM 285 HB3 LYS B 18 24.343 -3.337 -2.125 1.00 0.00 H ATOM 286 HG2 LYS B 18 24.853 -3.526 -4.522 1.00 0.00 H ATOM 287 HG3 LYS B 18 26.568 -3.781 -4.126 1.00 0.00 H ATOM 288 HD2 LYS B 18 26.120 -5.823 -3.017 1.00 0.00 H ATOM 289 HD3 LYS B 18 24.374 -5.490 -2.939 1.00 0.00 H ATOM 290 HE2 LYS B 18 25.993 -6.132 -5.424 1.00 0.00 H ATOM 291 HE3 LYS B 18 24.272 -5.679 -5.420 1.00 0.00 H ATOM 292 HZ1 LYS B 18 25.462 -8.008 -3.986 1.00 0.00 H ATOM 293 HZ2 LYS B 18 23.819 -7.576 -3.981 1.00 0.00 H ATOM 294 HZ3 LYS B 18 24.559 -8.085 -5.423 1.00 0.00 H ATOM 295 H LYS B 18 25.038 -1.506 -0.500 1.00 0.00 H ATOM 296 N PRO B 19 24.763 -0.394 -4.549 1.00 29.29 N ATOM 297 CA PRO B 19 23.731 0.157 -5.440 1.00 29.57 C ATOM 298 C PRO B 19 22.747 -0.943 -5.863 1.00 29.77 C ATOM 299 O PRO B 19 23.152 -2.091 -5.977 1.00 29.23 O ATOM 300 CB PRO B 19 24.535 0.622 -6.650 1.00 29.79 C ATOM 301 CG PRO B 19 25.886 0.935 -6.089 1.00 29.90 C ATOM 302 CD PRO B 19 26.112 -0.183 -5.106 1.00 29.47 C ATOM 303 HA PRO B 19 23.141 0.947 -4.975 1.00 0.00 H ATOM 304 HD3 PRO B 19 26.477 -1.080 -5.606 1.00 0.00 H ATOM 305 HD2 PRO B 19 26.818 0.111 -4.329 1.00 0.00 H ATOM 306 HG3 PRO B 19 25.888 1.903 -5.589 1.00 0.00 H ATOM 307 HG2 PRO B 19 26.646 0.930 -6.870 1.00 0.00 H ATOM 308 HB2 PRO B 19 24.600 -0.167 -7.399 1.00 0.00 H ATOM 309 HB3 PRO B 19 24.086 1.509 -7.096 1.00 0.00 H ATOM 310 N PRO B 20 21.475 -0.590 -6.131 1.00 30.08 N ATOM 311 CA PRO B 20 20.858 0.741 -6.155 1.00 30.03 C ATOM 312 C PRO B 20 20.719 1.375 -4.776 1.00 29.50 C ATOM 313 O PRO B 20 20.310 0.718 -3.813 1.00 29.83 O ATOM 314 CB PRO B 20 19.460 0.473 -6.747 1.00 30.15 C ATOM 315 CG PRO B 20 19.192 -0.928 -6.473 1.00 31.26 C ATOM 316 CD PRO B 20 20.512 -1.644 -6.508 1.00 30.54 C ATOM 317 HA PRO B 20 21.468 1.444 -6.723 1.00 0.00 H ATOM 318 HD3 PRO B 20 20.531 -2.466 -5.792 1.00 0.00 H ATOM 319 HD2 PRO B 20 20.723 -2.028 -7.506 1.00 0.00 H ATOM 320 HG3 PRO B 20 18.524 -1.337 -7.231 1.00 0.00 H ATOM 321 HG2 PRO B 20 18.733 -1.036 -5.490 1.00 0.00 H ATOM 322 HB2 PRO B 20 18.714 1.106 -6.267 1.00 0.00 H ATOM 323 HB3 PRO B 20 19.457 0.660 -7.821 1.00 0.00 H ATOM 324 N ILE B 21 21.042 2.658 -4.714 1.00 29.29 N ATOM 325 CA ILE B 21 20.947 3.418 -3.482 1.00 28.71 C ATOM 326 C ILE B 21 19.482 3.655 -3.090 1.00 28.84 C ATOM 327 O ILE B 21 18.655 4.010 -3.940 1.00 28.78 O ATOM 328 CB ILE B 21 21.742 4.740 -3.614 1.00 28.56 C ATOM 329 CG1 ILE B 21 23.208 4.439 -4.020 1.00 28.03 C ATOM 330 CG2 ILE B 21 21.649 5.564 -2.336 1.00 27.68 C ATOM 331 CD1 ILE B 21 24.001 3.568 -2.999 1.00 25.65 C ATOM 332 HA ILE B 21 21.394 2.841 -2.673 1.00 0.00 H ATOM 333 HB ILE B 21 21.299 5.345 -4.405 1.00 0.00 H ATOM 334 HG12 ILE B 21 23.195 3.915 -4.976 1.00 0.00 H ATOM 335 HG13 ILE B 21 23.731 5.389 -4.135 1.00 0.00 H ATOM 336 HD11 ILE B 21 24.039 4.081 -2.038 1.00 0.00 H ATOM 337 HD12 ILE B 21 23.503 2.606 -2.880 1.00 0.00 H ATOM 338 HD13 ILE B 21 25.014 3.410 -3.368 1.00 0.00 H ATOM 339 HG21 ILE B 21 20.605 5.802 -2.134 1.00 0.00 H ATOM 340 HG22 ILE B 21 22.059 4.991 -1.505 1.00 0.00 H ATOM 341 HG23 ILE B 21 22.217 6.487 -2.458 1.00 0.00 H ATOM 342 H ILE B 21 21.374 3.136 -5.576 1.00 0.00 H ATOM 343 N SER B 22 19.184 3.482 -1.805 1.00 28.44 N ATOM 344 CA SER B 22 17.832 3.672 -1.276 1.00 29.10 C ATOM 345 C SER B 22 17.355 5.135 -1.376 1.00 29.80 C ATOM 346 O SER B 22 18.157 6.067 -1.462 1.00 29.60 O ATOM 347 CB SER B 22 17.746 3.196 0.171 1.00 29.10 C ATOM 348 OG SER B 22 18.397 4.105 1.040 1.00 27.63 O ATOM 349 HA SER B 22 17.169 3.069 -1.897 1.00 0.00 H ATOM 350 HB2 SER B 22 18.221 2.219 0.255 1.00 0.00 H ATOM 351 HB3 SER B 22 16.698 3.115 0.459 1.00 0.00 H ATOM 352 HG SER B 22 18.328 3.776 1.971 1.00 0.00 H ATOM 353 H SER B 22 19.941 3.201 -1.150 1.00 0.00 H ATOM 354 N LYS B 23 16.033 5.317 -1.367 1.00 30.84 N ATOM 355 CA LYS B 23 15.429 6.654 -1.330 1.00 31.09 C ATOM 356 C LYS B 23 15.817 7.388 -0.046 1.00 30.78 C ATOM 357 O LYS B 23 16.108 8.592 -0.073 1.00 30.82 O ATOM 358 CB LYS B 23 13.898 6.534 -1.390 1.00 31.81 C ATOM 359 CG LYS B 23 13.354 6.126 -2.748 1.00 33.64 C ATOM 360 CD LYS B 23 11.847 5.924 -2.667 1.00 35.97 C ATOM 361 CE LYS B 23 11.361 4.905 -3.682 1.00 38.06 C ATOM 362 NZ LYS B 23 9.903 4.657 -3.534 1.00 39.73 N ATOM 363 HA LYS B 23 15.795 7.217 -2.188 1.00 0.00 H ATOM 364 HB2 LYS B 23 13.585 5.788 -0.659 1.00 0.00 H ATOM 365 HB3 LYS B 23 13.469 7.501 -1.127 1.00 0.00 H ATOM 366 HG2 LYS B 23 13.575 6.907 -3.475 1.00 0.00 H ATOM 367 HG3 LYS B 23 13.827 5.195 -3.062 1.00 0.00 H ATOM 368 HD2 LYS B 23 11.590 5.576 -1.666 1.00 0.00 H ATOM 369 HD3 LYS B 23 11.352 6.876 -2.857 1.00 0.00 H ATOM 370 HE2 LYS B 23 11.899 3.969 -3.533 1.00 0.00 H ATOM 371 HE3 LYS B 23 11.559 5.280 -4.686 1.00 0.00 H ATOM 372 HZ1 LYS B 23 9.709 4.295 -2.579 1.00 0.00 H ATOM 373 HZ2 LYS B 23 9.385 5.547 -3.680 1.00 0.00 H ATOM 374 HZ3 LYS B 23 9.598 3.957 -4.240 1.00 0.00 H ATOM 375 H LYS B 23 15.410 4.484 -1.387 1.00 0.00 H ATOM 376 N ALA B 24 15.823 6.651 1.066 1.00 30.22 N ATOM 377 CA ALA B 24 16.187 7.194 2.382 1.00 29.54 C ATOM 378 C ALA B 24 17.600 7.798 2.347 1.00 29.12 C ATOM 379 O ALA B 24 17.808 8.915 2.817 1.00 28.62 O ATOM 380 CB ALA B 24 16.081 6.123 3.456 1.00 29.64 C ATOM 381 HA ALA B 24 15.484 7.989 2.630 1.00 0.00 H ATOM 382 HB1 ALA B 24 15.056 5.753 3.499 1.00 0.00 H ATOM 383 HB2 ALA B 24 16.755 5.301 3.216 1.00 0.00 H ATOM 384 HB3 ALA B 24 16.355 6.549 4.421 1.00 0.00 H ATOM 385 H ALA B 24 15.558 5.648 0.998 1.00 0.00 H ATOM 386 N LYS B 25 18.556 7.071 1.765 1.00 28.39 N ATOM 387 CA LYS B 25 19.942 7.555 1.704 1.00 27.98 C ATOM 388 C LYS B 25 20.045 8.760 0.793 1.00 27.72 C ATOM 389 O LYS B 25 20.712 9.746 1.116 1.00 26.66 O ATOM 390 CB LYS B 25 20.919 6.444 1.278 1.00 28.05 C ATOM 391 CG LYS B 25 22.394 6.903 1.069 1.00 28.84 C ATOM 392 CD LYS B 25 22.988 7.653 2.277 1.00 33.44 C ATOM 393 CE LYS B 25 23.162 6.776 3.481 1.00 36.56 C ATOM 394 NZ LYS B 25 23.780 7.531 4.622 1.00 40.18 N ATOM 395 HA LYS B 25 20.231 7.862 2.709 1.00 0.00 H ATOM 396 HB2 LYS B 25 20.911 5.673 2.049 1.00 0.00 H ATOM 397 HB3 LYS B 25 20.561 6.021 0.340 1.00 0.00 H ATOM 398 HG2 LYS B 25 23.005 6.021 0.877 1.00 0.00 H ATOM 399 HG3 LYS B 25 22.429 7.563 0.203 1.00 0.00 H ATOM 400 HD2 LYS B 25 23.962 8.053 1.994 1.00 0.00 H ATOM 401 HD3 LYS B 25 22.321 8.475 2.538 1.00 0.00 H ATOM 402 HE2 LYS B 25 23.807 5.937 3.219 1.00 0.00 H ATOM 403 HE3 LYS B 25 22.187 6.400 3.791 1.00 0.00 H ATOM 404 HZ1 LYS B 25 24.714 7.888 4.335 1.00 0.00 H ATOM 405 HZ2 LYS B 25 23.166 8.330 4.880 1.00 0.00 H ATOM 406 HZ3 LYS B 25 23.887 6.896 5.439 1.00 0.00 H ATOM 407 H LYS B 25 18.316 6.149 1.349 1.00 0.00 H ATOM 408 N MET B 26 19.370 8.698 -0.348 1.00 27.48 N ATOM 409 CA MET B 26 19.419 9.824 -1.262 1.00 28.39 C ATOM 410 C MET B 26 18.830 11.082 -0.619 1.00 28.20 C ATOM 411 O MET B 26 19.361 12.184 -0.800 1.00 27.72 O ATOM 412 CB MET B 26 18.709 9.484 -2.560 1.00 29.05 C ATOM 413 CG MET B 26 19.131 10.377 -3.698 1.00 32.09 C ATOM 414 SD MET B 26 20.913 10.362 -4.070 1.00 38.36 S ATOM 415 CE MET B 26 21.226 8.733 -4.667 1.00 35.72 C ATOM 416 HA MET B 26 20.464 10.034 -1.492 1.00 0.00 H ATOM 417 HB2 MET B 26 18.936 8.451 -2.823 1.00 0.00 H ATOM 418 HB3 MET B 26 17.635 9.592 -2.410 1.00 0.00 H ATOM 419 HG2 MET B 26 18.846 11.399 -3.449 1.00 0.00 H ATOM 420 HG3 MET B 26 18.596 10.060 -4.593 1.00 0.00 H ATOM 421 HE1 MET B 26 20.965 8.008 -3.896 1.00 0.00 H ATOM 422 HE2 MET B 26 20.623 8.551 -5.557 1.00 0.00 H ATOM 423 HE3 MET B 26 22.283 8.636 -4.916 1.00 0.00 H ATOM 424 H MET B 26 18.813 7.852 -0.584 1.00 0.00 H ATOM 425 N THR B 27 17.762 10.902 0.152 1.00 28.67 N ATOM 426 CA THR B 27 17.112 12.009 0.876 1.00 28.55 C ATOM 427 C THR B 27 18.082 12.646 1.886 1.00 28.53 C ATOM 428 O THR B 27 18.154 13.877 1.991 1.00 27.36 O ATOM 429 CB THR B 27 15.825 11.515 1.556 1.00 29.19 C ATOM 430 OG1 THR B 27 14.866 11.208 0.537 1.00 29.75 O ATOM 431 CG2 THR B 27 15.240 12.564 2.503 1.00 29.25 C ATOM 432 HA THR B 27 16.836 12.784 0.161 1.00 0.00 H ATOM 433 HB THR B 27 16.064 10.633 2.151 1.00 0.00 H ATOM 434 HG1 THR B 27 15.230 10.503 -0.055 1.00 0.00 H ATOM 435 HG23 THR B 27 15.969 12.798 3.279 1.00 0.00 H ATOM 436 HG21 THR B 27 15.003 13.467 1.941 1.00 0.00 H ATOM 437 HG22 THR B 27 14.333 12.172 2.962 1.00 0.00 H ATOM 438 H THR B 27 17.370 9.943 0.248 1.00 0.00 H ATOM 439 N GLN B 28 18.842 11.807 2.591 1.00 27.90 N ATOM 440 CA GLN B 28 19.832 12.243 3.587 1.00 28.08 C ATOM 441 C GLN B 28 20.905 13.113 2.950 1.00 27.82 C ATOM 442 O GLN B 28 21.287 14.161 3.471 1.00 27.28 O ATOM 443 CB GLN B 28 20.528 11.035 4.216 1.00 28.23 C ATOM 444 CG GLN B 28 19.709 10.218 5.202 1.00 28.81 C ATOM 445 CD GLN B 28 20.580 9.305 6.059 1.00 29.36 C ATOM 446 OE1 GLN B 28 21.709 8.961 5.686 1.00 32.16 O ATOM 447 NE2 GLN B 28 20.061 8.910 7.216 1.00 31.58 N ATOM 448 HA GLN B 28 19.293 12.812 4.345 1.00 0.00 H ATOM 449 HB2 GLN B 28 20.833 10.370 3.408 1.00 0.00 H ATOM 450 HB3 GLN B 28 21.412 11.398 4.740 1.00 0.00 H ATOM 451 HG2 GLN B 28 19.165 10.899 5.856 1.00 0.00 H ATOM 452 HG3 GLN B 28 18.999 9.606 4.646 1.00 0.00 H ATOM 453 HE22 GLN B 28 19.108 9.222 7.492 1.00 0.00 H ATOM 454 HE21 GLN B 28 20.607 8.289 7.846 1.00 0.00 H ATOM 455 H GLN B 28 18.728 10.786 2.427 1.00 0.00 H ATOM 456 N ILE B 29 21.421 12.628 1.818 1.00 26.88 N ATOM 457 CA ILE B 29 22.455 13.350 1.086 1.00 26.29 C ATOM 458 C ILE B 29 21.894 14.694 0.610 1.00 26.47 C ATOM 459 O ILE B 29 22.540 15.745 0.759 1.00 26.40 O ATOM 460 CB ILE B 29 22.955 12.522 -0.102 1.00 26.30 C ATOM 461 CG1 ILE B 29 23.751 11.317 0.410 1.00 26.01 C ATOM 462 CG2 ILE B 29 23.809 13.377 -1.070 1.00 27.75 C ATOM 463 CD1 ILE B 29 23.947 10.212 -0.649 1.00 26.43 C ATOM 464 HA ILE B 29 23.303 13.529 1.747 1.00 0.00 H ATOM 465 HB ILE B 29 22.091 12.167 -0.664 1.00 0.00 H ATOM 466 HG12 ILE B 29 24.733 11.664 0.733 1.00 0.00 H ATOM 467 HG13 ILE B 29 23.221 10.889 1.261 1.00 0.00 H ATOM 468 HD11 ILE B 29 22.973 9.846 -0.974 1.00 0.00 H ATOM 469 HD12 ILE B 29 24.487 10.621 -1.503 1.00 0.00 H ATOM 470 HD13 ILE B 29 24.519 9.392 -0.215 1.00 0.00 H ATOM 471 HG21 ILE B 29 23.207 14.201 -1.452 1.00 0.00 H ATOM 472 HG22 ILE B 29 24.673 13.773 -0.537 1.00 0.00 H ATOM 473 HG23 ILE B 29 24.146 12.756 -1.900 1.00 0.00 H ATOM 474 H ILE B 29 21.079 11.717 1.451 1.00 0.00 H ATOM 475 N THR B 30 20.696 14.645 0.033 1.00 26.65 N ATOM 476 CA THR B 30 20.032 15.860 -0.450 1.00 26.69 C ATOM 477 C THR B 30 19.778 16.895 0.647 1.00 27.19 C ATOM 478 O THR B 30 20.075 18.081 0.465 1.00 26.63 O ATOM 479 CB THR B 30 18.739 15.524 -1.183 1.00 27.81 C ATOM 480 OG1 THR B 30 19.073 14.585 -2.200 1.00 28.89 O ATOM 481 CG2 THR B 30 18.173 16.766 -1.857 1.00 28.29 C ATOM 482 HA THR B 30 20.728 16.321 -1.151 1.00 0.00 H ATOM 483 HB THR B 30 18.001 15.133 -0.482 1.00 0.00 H ATOM 484 HG1 THR B 30 18.256 14.340 -2.702 1.00 0.00 H ATOM 485 HG23 THR B 30 17.909 17.502 -1.097 1.00 0.00 H ATOM 486 HG21 THR B 30 18.922 17.187 -2.528 1.00 0.00 H ATOM 487 HG22 THR B 30 17.284 16.495 -2.427 1.00 0.00 H ATOM 488 H THR B 30 20.221 13.726 -0.078 1.00 0.00 H ATOM 489 N LYS B 31 19.244 16.447 1.773 1.00 26.35 N ATOM 490 CA LYS B 31 18.994 17.353 2.902 1.00 26.83 C ATOM 491 C LYS B 31 20.284 18.035 3.350 1.00 26.24 C ATOM 492 O LYS B 31 20.276 19.247 3.604 1.00 25.87 O ATOM 493 CB LYS B 31 18.338 16.610 4.060 1.00 26.74 C ATOM 494 CG LYS B 31 16.875 16.268 3.787 1.00 29.06 C ATOM 495 CD LYS B 31 16.305 15.444 4.923 1.00 31.57 C ATOM 496 CE LYS B 31 14.804 15.253 4.739 1.00 32.67 C ATOM 497 NZ LYS B 31 14.265 14.286 5.739 1.00 35.71 N ATOM 498 HA LYS B 31 18.305 18.128 2.566 1.00 0.00 H ATOM 499 HB2 LYS B 31 18.886 15.684 4.236 1.00 0.00 H ATOM 500 HB3 LYS B 31 18.390 17.236 4.951 1.00 0.00 H ATOM 501 HG2 LYS B 31 16.302 17.190 3.689 1.00 0.00 H ATOM 502 HG3 LYS B 31 16.806 15.699 2.860 1.00 0.00 H ATOM 503 HD2 LYS B 31 16.792 14.469 4.940 1.00 0.00 H ATOM 504 HD3 LYS B 31 16.489 15.957 5.867 1.00 0.00 H ATOM 505 HE2 LYS B 31 14.612 14.873 3.735 1.00 0.00 H ATOM 506 HE3 LYS B 31 14.304 16.213 4.865 1.00 0.00 H ATOM 507 HZ1 LYS B 31 14.737 13.367 5.620 1.00 0.00 H ATOM 508 HZ2 LYS B 31 14.442 14.646 6.698 1.00 0.00 H ATOM 509 HZ3 LYS B 31 13.241 14.173 5.593 1.00 0.00 H ATOM 510 H LYS B 31 18.998 15.440 1.859 1.00 0.00 H ATOM 511 N ALA B 32 21.386 17.275 3.390 1.00 25.65 N ATOM 512 CA ALA B 32 22.700 17.834 3.773 1.00 26.05 C ATOM 513 C ALA B 32 23.186 18.884 2.774 1.00 25.84 C ATOM 514 O ALA B 32 23.751 19.897 3.180 1.00 26.01 O ATOM 515 CB ALA B 32 23.768 16.730 3.963 1.00 25.88 C ATOM 516 HA ALA B 32 22.555 18.326 4.735 1.00 0.00 H ATOM 517 HB1 ALA B 32 23.446 16.047 4.749 1.00 0.00 H ATOM 518 HB2 ALA B 32 23.891 16.180 3.030 1.00 0.00 H ATOM 519 HB3 ALA B 32 24.716 17.188 4.244 1.00 0.00 H ATOM 520 H ALA B 32 21.316 16.267 3.146 1.00 0.00 H ATOM 521 N ALA B 33 22.947 18.638 1.485 1.00 25.89 N ATOM 522 CA ALA B 33 23.321 19.585 0.425 1.00 25.34 C ATOM 523 C ALA B 33 22.578 20.898 0.609 1.00 26.00 C ATOM 524 O ALA B 33 23.167 21.986 0.529 1.00 26.02 O ATOM 525 CB ALA B 33 23.025 18.978 -0.946 1.00 25.93 C ATOM 526 HA ALA B 33 24.390 19.788 0.488 1.00 0.00 H ATOM 527 HB1 ALA B 33 23.598 18.059 -1.066 1.00 0.00 H ATOM 528 HB2 ALA B 33 21.961 18.756 -1.022 1.00 0.00 H ATOM 529 HB3 ALA B 33 23.306 19.688 -1.724 1.00 0.00 H ATOM 530 H ALA B 33 22.481 17.747 1.221 1.00 0.00 H ATOM 531 N ILE B 34 21.275 20.786 0.863 1.00 25.08 N ATOM 532 CA ILE B 34 20.390 21.960 0.981 1.00 24.95 C ATOM 533 C ILE B 34 20.752 22.760 2.231 1.00 25.09 C ATOM 534 O ILE B 34 20.795 23.982 2.196 1.00 25.12 O ATOM 535 CB ILE B 34 18.916 21.531 1.011 1.00 25.14 C ATOM 536 CG1 ILE B 34 18.507 20.888 -0.324 1.00 28.05 C ATOM 537 CG2 ILE B 34 17.953 22.740 1.334 1.00 23.41 C ATOM 538 CD1 ILE B 34 18.592 21.771 -1.563 1.00 30.04 C ATOM 539 HA ILE B 34 20.532 22.596 0.107 1.00 0.00 H ATOM 540 HB ILE B 34 18.818 20.797 1.811 1.00 0.00 H ATOM 541 HG12 ILE B 34 19.153 20.026 -0.487 1.00 0.00 H ATOM 542 HG13 ILE B 34 17.474 20.553 -0.227 1.00 0.00 H ATOM 543 HD11 ILE B 34 17.939 22.635 -1.437 1.00 0.00 H ATOM 544 HD12 ILE B 34 19.620 22.107 -1.698 1.00 0.00 H ATOM 545 HD13 ILE B 34 18.277 21.200 -2.437 1.00 0.00 H ATOM 546 HG21 ILE B 34 18.207 23.154 2.310 1.00 0.00 H ATOM 547 HG22 ILE B 34 18.068 23.509 0.570 1.00 0.00 H ATOM 548 HG23 ILE B 34 16.921 22.388 1.345 1.00 0.00 H ATOM 549 H ILE B 34 20.867 19.837 0.982 1.00 0.00 H ATOM 550 N LYS B 35 21.029 22.060 3.328 1.00 25.49 N ATOM 551 CA LYS B 35 21.465 22.736 4.555 1.00 26.46 C ATOM 552 C LYS B 35 22.775 23.495 4.342 1.00 26.51 C ATOM 553 O LYS B 35 23.017 24.505 5.012 1.00 27.27 O ATOM 554 CB LYS B 35 21.606 21.741 5.704 1.00 26.60 C ATOM 555 CG LYS B 35 20.268 21.366 6.279 1.00 30.41 C ATOM 556 CD LYS B 35 20.349 20.203 7.257 1.00 36.03 C ATOM 557 CE LYS B 35 18.950 19.616 7.443 1.00 39.18 C ATOM 558 NZ LYS B 35 18.921 18.565 8.502 1.00 41.71 N ATOM 559 HA LYS B 35 20.696 23.463 4.818 1.00 0.00 H ATOM 560 HB2 LYS B 35 22.097 20.841 5.335 1.00 0.00 H ATOM 561 HB3 LYS B 35 22.215 22.190 6.488 1.00 0.00 H ATOM 562 HG2 LYS B 35 19.858 22.231 6.800 1.00 0.00 H ATOM 563 HG3 LYS B 35 19.603 21.088 5.461 1.00 0.00 H ATOM 564 HD2 LYS B 35 21.018 19.438 6.862 1.00 0.00 H ATOM 565 HD3 LYS B 35 20.729 20.556 8.216 1.00 0.00 H ATOM 566 HE2 LYS B 35 18.625 19.175 6.501 1.00 0.00 H ATOM 567 HE3 LYS B 35 18.266 20.417 7.723 1.00 0.00 H ATOM 568 HZ1 LYS B 35 19.566 17.792 8.240 1.00 0.00 H ATOM 569 HZ2 LYS B 35 19.223 18.978 9.407 1.00 0.00 H ATOM 570 HZ3 LYS B 35 17.954 18.195 8.595 1.00 0.00 H ATOM 571 H LYS B 35 20.936 21.024 3.316 1.00 0.00 H ATOM 572 N ALA B 36 23.578 23.025 3.386 1.00 26.41 N ATOM 573 CA ALA B 36 24.880 23.616 3.067 1.00 27.32 C ATOM 574 C ALA B 36 24.805 24.610 1.901 1.00 27.85 C ATOM 575 O ALA B 36 25.815 24.911 1.273 1.00 27.90 O ATOM 576 CB ALA B 36 25.897 22.517 2.767 1.00 26.86 C ATOM 577 HA ALA B 36 25.202 24.179 3.943 1.00 0.00 H ATOM 578 HB1 ALA B 36 26.001 21.872 3.639 1.00 0.00 H ATOM 579 HB2 ALA B 36 25.553 21.928 1.917 1.00 0.00 H ATOM 580 HB3 ALA B 36 26.860 22.970 2.531 1.00 0.00 H ATOM 581 H ALA B 36 23.264 22.198 2.840 1.00 0.00 H ATOM 582 N ILE B 37 23.615 25.144 1.641 1.00 27.96 N ATOM 583 CA ILE B 37 23.404 26.012 0.470 1.00 28.99 C ATOM 584 C ILE B 37 24.311 27.265 0.415 1.00 28.94 C ATOM 585 O ILE B 37 24.683 27.697 -0.685 1.00 28.85 O ATOM 586 CB ILE B 37 21.903 26.330 0.248 1.00 29.56 C ATOM 587 CG1 ILE B 37 21.669 26.971 -1.127 1.00 31.90 C ATOM 588 CG2 ILE B 37 21.340 27.191 1.371 1.00 30.14 C ATOM 589 CD1 ILE B 37 20.608 26.277 -1.920 1.00 35.89 C ATOM 590 HA ILE B 37 23.735 25.422 -0.385 1.00 0.00 H ATOM 591 HB ILE B 37 21.361 25.385 0.266 1.00 0.00 H ATOM 592 HG12 ILE B 37 21.371 28.009 -0.981 1.00 0.00 H ATOM 593 HG13 ILE B 37 22.602 26.938 -1.690 1.00 0.00 H ATOM 594 HD11 ILE B 37 20.898 25.239 -2.082 1.00 0.00 H ATOM 595 HD12 ILE B 37 19.666 26.311 -1.373 1.00 0.00 H ATOM 596 HD13 ILE B 37 20.489 26.777 -2.881 1.00 0.00 H ATOM 597 HG21 ILE B 37 21.444 26.663 2.319 1.00 0.00 H ATOM 598 HG22 ILE B 37 21.889 28.132 1.416 1.00 0.00 H ATOM 599 HG23 ILE B 37 20.286 27.392 1.179 1.00 0.00 H ATOM 600 H ILE B 37 22.817 24.945 2.278 1.00 0.00 H ATOM 601 N LYS B 38 24.690 27.816 1.569 1.00 29.17 N ATOM 602 CA LYS B 38 25.638 28.950 1.616 1.00 29.51 C ATOM 603 C LYS B 38 26.958 28.585 0.911 1.00 29.42 C ATOM 604 O LYS B 38 27.639 29.445 0.329 1.00 29.47 O ATOM 605 CB LYS B 38 25.906 29.365 3.072 1.00 29.36 C ATOM 606 CG LYS B 38 26.951 30.485 3.276 1.00 31.21 C ATOM 607 CD LYS B 38 27.312 30.625 4.749 1.00 31.06 C ATOM 608 CE LYS B 38 28.455 31.611 4.975 1.00 34.23 C ATOM 609 NZ LYS B 38 28.907 31.614 6.392 1.00 35.48 N ATOM 610 HA LYS B 38 25.190 29.793 1.090 1.00 0.00 H ATOM 611 HB2 LYS B 38 24.964 29.706 3.501 1.00 0.00 H ATOM 612 HB3 LYS B 38 26.252 28.484 3.612 1.00 0.00 H ATOM 613 HG2 LYS B 38 27.850 30.243 2.709 1.00 0.00 H ATOM 614 HG3 LYS B 38 26.539 31.428 2.917 1.00 0.00 H ATOM 615 HD2 LYS B 38 26.435 30.974 5.293 1.00 0.00 H ATOM 616 HD3 LYS B 38 27.610 29.649 5.131 1.00 0.00 H ATOM 617 HE2 LYS B 38 28.116 32.612 4.710 1.00 0.00 H ATOM 618 HE3 LYS B 38 29.294 31.332 4.337 1.00 0.00 H ATOM 619 HZ1 LYS B 38 28.114 31.885 7.007 1.00 0.00 H ATOM 620 HZ2 LYS B 38 29.238 30.663 6.651 1.00 0.00 H ATOM 621 HZ3 LYS B 38 29.684 32.296 6.505 1.00 0.00 H ATOM 622 H LYS B 38 24.309 27.438 2.460 1.00 0.00 H ATOM 623 N PHE B 39 27.289 27.302 0.971 1.00 27.80 N ATOM 624 CA PHE B 39 28.520 26.761 0.420 1.00 28.16 C ATOM 625 C PHE B 39 28.232 25.888 -0.805 1.00 27.31 C ATOM 626 O PHE B 39 28.901 24.859 -1.031 1.00 26.56 O ATOM 627 CB PHE B 39 29.221 25.934 1.499 1.00 28.34 C ATOM 628 CG PHE B 39 29.470 26.693 2.778 1.00 29.78 C ATOM 629 CD1 PHE B 39 30.509 27.618 2.860 1.00 29.72 C ATOM 630 CD2 PHE B 39 28.658 26.489 3.893 1.00 31.12 C ATOM 631 CE1 PHE B 39 30.749 28.340 4.047 1.00 31.96 C ATOM 632 CE2 PHE B 39 28.892 27.204 5.085 1.00 31.92 C ATOM 633 CZ PHE B 39 29.935 28.127 5.153 1.00 31.22 C ATOM 634 HA PHE B 39 29.162 27.583 0.103 1.00 0.00 H ATOM 635 HB2 PHE B 39 28.599 25.068 1.728 1.00 0.00 H ATOM 636 HB3 PHE B 39 30.180 25.597 1.106 1.00 0.00 H ATOM 637 HD2 PHE B 39 27.838 25.773 3.843 1.00 0.00 H ATOM 638 HE2 PHE B 39 28.257 27.035 5.955 1.00 0.00 H ATOM 639 HZ PHE B 39 30.112 28.682 6.074 1.00 0.00 H ATOM 640 HE1 PHE B 39 31.566 29.059 4.097 1.00 0.00 H ATOM 641 HD1 PHE B 39 31.147 27.786 1.992 1.00 0.00 H ATOM 642 H PHE B 39 26.631 26.647 1.439 1.00 0.00 H ATOM 643 N TYR B 40 27.260 26.309 -1.615 1.00 26.61 N ATOM 644 CA TYR B 40 26.809 25.474 -2.738 1.00 26.16 C ATOM 645 C TYR B 40 27.946 25.157 -3.710 1.00 25.13 C ATOM 646 O TYR B 40 27.940 24.114 -4.357 1.00 25.19 O ATOM 647 CB TYR B 40 25.618 26.100 -3.479 1.00 26.32 C ATOM 648 CG TYR B 40 25.965 27.331 -4.279 1.00 27.31 C ATOM 649 CD1 TYR B 40 26.233 27.241 -5.647 1.00 27.36 C ATOM 650 CD2 TYR B 40 26.019 28.589 -3.669 1.00 26.35 C ATOM 651 CE1 TYR B 40 26.555 28.378 -6.380 1.00 26.80 C ATOM 652 CE2 TYR B 40 26.340 29.725 -4.394 1.00 27.34 C ATOM 653 CZ TYR B 40 26.600 29.605 -5.756 1.00 27.05 C ATOM 654 OH TYR B 40 26.912 30.741 -6.471 1.00 29.69 O ATOM 655 HA TYR B 40 26.472 24.533 -2.304 1.00 0.00 H ATOM 656 HB3 TYR B 40 24.862 26.372 -2.743 1.00 0.00 H ATOM 657 HB2 TYR B 40 25.208 25.354 -4.160 1.00 0.00 H ATOM 658 HD2 TYR B 40 25.805 28.677 -2.604 1.00 0.00 H ATOM 659 HE2 TYR B 40 26.388 30.698 -3.905 1.00 0.00 H ATOM 660 HE1 TYR B 40 26.771 28.298 -7.445 1.00 0.00 H ATOM 661 HD1 TYR B 40 26.189 26.272 -6.144 1.00 0.00 H ATOM 662 HH TYR B 40 27.729 31.153 -6.093 1.00 0.00 H ATOM 663 H TYR B 40 26.817 27.236 -1.451 1.00 0.00 H ATOM 664 N LYS B 41 28.919 26.057 -3.808 1.00 26.46 N ATOM 665 CA LYS B 41 30.052 25.812 -4.705 1.00 26.04 C ATOM 666 C LYS B 41 30.879 24.635 -4.180 1.00 26.52 C ATOM 667 O LYS B 41 31.343 23.803 -4.954 1.00 26.35 O ATOM 668 CB LYS B 41 30.907 27.061 -4.862 1.00 26.05 C ATOM 669 CG LYS B 41 30.178 28.230 -5.482 1.00 26.40 C ATOM 670 CD LYS B 41 31.104 29.440 -5.524 1.00 26.86 C ATOM 671 CE LYS B 41 30.423 30.644 -6.156 1.00 28.60 C ATOM 672 NZ LYS B 41 31.399 31.756 -6.300 1.00 28.70 N ATOM 673 HA LYS B 41 29.670 25.557 -5.694 1.00 0.00 H ATOM 674 HB2 LYS B 41 31.260 27.361 -3.876 1.00 0.00 H ATOM 675 HB3 LYS B 41 31.761 26.815 -5.493 1.00 0.00 H ATOM 676 HG2 LYS B 41 29.871 27.971 -6.495 1.00 0.00 H ATOM 677 HG3 LYS B 41 29.297 28.467 -4.886 1.00 0.00 H ATOM 678 HD2 LYS B 41 31.400 29.695 -4.506 1.00 0.00 H ATOM 679 HD3 LYS B 41 31.990 29.188 -6.107 1.00 0.00 H ATOM 680 HE2 LYS B 41 29.597 30.967 -5.522 1.00 0.00 H ATOM 681 HE3 LYS B 41 30.040 30.369 -7.139 1.00 0.00 H ATOM 682 HZ1 LYS B 41 31.764 32.019 -5.362 1.00 0.00 H ATOM 683 HZ2 LYS B 41 32.186 31.448 -6.906 1.00 0.00 H ATOM 684 HZ3 LYS B 41 30.927 32.576 -6.733 1.00 0.00 H ATOM 685 H LYS B 41 28.877 26.933 -3.249 1.00 0.00 H ATOM 686 N HIS B 42 31.058 24.562 -2.863 1.00 26.75 N ATOM 687 CA HIS B 42 31.779 23.425 -2.280 1.00 27.31 C ATOM 688 C HIS B 42 31.015 22.117 -2.432 1.00 26.77 C ATOM 689 O HIS B 42 31.622 21.073 -2.679 1.00 26.75 O ATOM 690 CB HIS B 42 32.077 23.678 -0.808 1.00 27.83 C ATOM 691 CG HIS B 42 33.064 24.773 -0.577 1.00 31.09 C ATOM 692 ND1 HIS B 42 34.371 24.533 -0.207 1.00 35.02 N ATOM 693 CD2 HIS B 42 32.935 26.117 -0.656 1.00 33.72 C ATOM 694 CE1 HIS B 42 35.006 25.683 -0.072 1.00 34.83 C ATOM 695 NE2 HIS B 42 34.157 26.661 -0.336 1.00 36.08 N ATOM 696 HA HIS B 42 32.715 23.329 -2.831 1.00 0.00 H ATOM 697 HB2 HIS B 42 31.145 23.943 -0.308 1.00 0.00 H ATOM 698 HB3 HIS B 42 32.473 22.760 -0.374 1.00 0.00 H ATOM 699 HD2 HIS B 42 32.032 26.666 -0.923 1.00 0.00 H ATOM 700 HE1 HIS B 42 36.052 25.805 0.209 1.00 0.00 H ATOM 701 H HIS B 42 30.686 25.312 -2.246 1.00 0.00 H ATOM 702 N VAL B 43 29.690 22.169 -2.263 1.00 26.47 N ATOM 703 CA VAL B 43 28.837 21.013 -2.490 1.00 26.55 C ATOM 704 C VAL B 43 28.989 20.478 -3.928 1.00 26.43 C ATOM 705 O VAL B 43 29.203 19.289 -4.134 1.00 26.01 O ATOM 706 CB VAL B 43 27.338 21.311 -2.181 1.00 27.61 C ATOM 707 CG1 VAL B 43 26.459 20.126 -2.618 1.00 27.73 C ATOM 708 CG2 VAL B 43 27.150 21.634 -0.688 1.00 26.72 C ATOM 709 HA VAL B 43 29.170 20.244 -1.793 1.00 0.00 H ATOM 710 HB VAL B 43 27.026 22.187 -2.750 1.00 0.00 H ATOM 711 HG11 VAL B 43 26.577 19.963 -3.689 1.00 0.00 H ATOM 712 HG12 VAL B 43 26.764 19.230 -2.077 1.00 0.00 H ATOM 713 HG13 VAL B 43 25.415 20.348 -2.396 1.00 0.00 H ATOM 714 HG21 VAL B 43 27.473 20.782 -0.090 1.00 0.00 H ATOM 715 HG22 VAL B 43 27.747 22.509 -0.429 1.00 0.00 H ATOM 716 HG23 VAL B 43 26.098 21.839 -0.492 1.00 0.00 H ATOM 717 H VAL B 43 29.256 23.064 -1.960 1.00 0.00 H ATOM 718 N VAL B 44 28.924 21.367 -4.915 1.00 26.51 N ATOM 719 CA VAL B 44 29.094 20.949 -6.311 1.00 27.18 C ATOM 720 C VAL B 44 30.481 20.323 -6.535 1.00 27.24 C ATOM 721 O VAL B 44 30.587 19.224 -7.120 1.00 28.13 O ATOM 722 CB VAL B 44 28.828 22.130 -7.276 1.00 26.80 C ATOM 723 CG1 VAL B 44 29.266 21.790 -8.688 1.00 28.09 C ATOM 724 CG2 VAL B 44 27.337 22.472 -7.247 1.00 26.42 C ATOM 725 HA VAL B 44 28.355 20.178 -6.531 1.00 0.00 H ATOM 726 HB VAL B 44 29.409 22.993 -6.950 1.00 0.00 H ATOM 727 HG11 VAL B 44 30.333 21.569 -8.693 1.00 0.00 H ATOM 728 HG12 VAL B 44 28.712 20.920 -9.039 1.00 0.00 H ATOM 729 HG13 VAL B 44 29.067 22.638 -9.343 1.00 0.00 H ATOM 730 HG21 VAL B 44 26.760 21.603 -7.562 1.00 0.00 H ATOM 731 HG22 VAL B 44 27.050 22.753 -6.234 1.00 0.00 H ATOM 732 HG23 VAL B 44 27.143 23.303 -7.925 1.00 0.00 H ATOM 733 H VAL B 44 28.751 22.369 -4.695 1.00 0.00 H ATOM 734 N GLN B 45 31.510 20.990 -6.013 1.00 27.36 N ATOM 735 CA GLN B 45 32.883 20.510 -6.130 1.00 27.88 C ATOM 736 C GLN B 45 33.018 19.092 -5.555 1.00 27.86 C ATOM 737 O GLN B 45 33.627 18.217 -6.204 1.00 26.97 O ATOM 738 CB GLN B 45 33.852 21.465 -5.438 1.00 28.29 C ATOM 739 CG GLN B 45 35.280 21.000 -5.510 1.00 31.57 C ATOM 740 CD GLN B 45 36.197 21.863 -4.691 1.00 36.70 C ATOM 741 OE1 GLN B 45 35.862 22.274 -3.570 1.00 39.08 O ATOM 742 NE2 GLN B 45 37.375 22.137 -5.230 1.00 39.05 N ATOM 743 HA GLN B 45 33.138 20.473 -7.189 1.00 0.00 H ATOM 744 HB2 GLN B 45 33.779 22.442 -5.916 1.00 0.00 H ATOM 745 HB3 GLN B 45 33.566 21.552 -4.390 1.00 0.00 H ATOM 746 HG2 GLN B 45 35.336 19.976 -5.139 1.00 0.00 H ATOM 747 HG3 GLN B 45 35.607 21.027 -6.550 1.00 0.00 H ATOM 748 HE22 GLN B 45 37.613 21.771 -6.174 1.00 0.00 H ATOM 749 HE21 GLN B 45 38.062 22.719 -4.710 1.00 0.00 H ATOM 750 H GLN B 45 31.329 21.880 -5.507 1.00 0.00 H ATOM 751 N SER B 46 32.419 18.861 -4.372 1.00 27.16 N ATOM 752 CA SER B 46 32.481 17.532 -3.728 1.00 27.06 C ATOM 753 C SER B 46 31.788 16.464 -4.550 1.00 26.42 C ATOM 754 O SER B 46 32.301 15.352 -4.666 1.00 26.81 O ATOM 755 CB SER B 46 31.909 17.549 -2.310 1.00 27.01 C ATOM 756 OG SER B 46 32.795 18.260 -1.455 1.00 27.50 O ATOM 757 HA SER B 46 33.540 17.283 -3.666 1.00 0.00 H ATOM 758 HB2 SER B 46 31.797 16.526 -1.950 1.00 0.00 H ATOM 759 HB3 SER B 46 30.936 18.040 -2.315 1.00 0.00 H ATOM 760 HG SER B 46 32.426 18.272 -0.536 1.00 0.00 H ATOM 761 H SER B 46 31.903 19.632 -3.902 1.00 0.00 H ATOM 762 N VAL B 47 30.643 16.812 -5.143 1.00 26.57 N ATOM 763 CA VAL B 47 29.904 15.860 -5.968 1.00 26.78 C ATOM 764 C VAL B 47 30.727 15.527 -7.223 1.00 27.14 C ATOM 765 O VAL B 47 30.851 14.356 -7.608 1.00 26.96 O ATOM 766 CB VAL B 47 28.490 16.371 -6.325 1.00 27.31 C ATOM 767 CG1 VAL B 47 27.845 15.470 -7.383 1.00 27.49 C ATOM 768 CG2 VAL B 47 27.594 16.413 -5.046 1.00 26.40 C ATOM 769 HA VAL B 47 29.753 14.947 -5.393 1.00 0.00 H ATOM 770 HB VAL B 47 28.580 17.379 -6.731 1.00 0.00 H ATOM 771 HG11 VAL B 47 28.460 15.471 -8.283 1.00 0.00 H ATOM 772 HG12 VAL B 47 27.768 14.454 -6.995 1.00 0.00 H ATOM 773 HG13 VAL B 47 26.850 15.846 -7.621 1.00 0.00 H ATOM 774 HG21 VAL B 47 27.517 15.411 -4.625 1.00 0.00 H ATOM 775 HG22 VAL B 47 28.042 17.083 -4.312 1.00 0.00 H ATOM 776 HG23 VAL B 47 26.601 16.775 -5.312 1.00 0.00 H ATOM 777 H VAL B 47 30.272 17.775 -5.015 1.00 0.00 H ATOM 778 N GLU B 48 31.288 16.560 -7.846 1.00 27.47 N ATOM 779 CA GLU B 48 32.088 16.348 -9.050 1.00 27.40 C ATOM 780 C GLU B 48 33.316 15.488 -8.726 1.00 27.14 C ATOM 781 O GLU B 48 33.682 14.611 -9.497 1.00 27.75 O ATOM 782 CB GLU B 48 32.475 17.687 -9.688 1.00 27.95 C ATOM 783 CG GLU B 48 31.260 18.402 -10.274 1.00 27.68 C ATOM 784 CD GLU B 48 31.556 19.802 -10.818 1.00 28.88 C ATOM 785 OE1 GLU B 48 32.654 20.354 -10.578 1.00 29.96 O ATOM 786 OE2 GLU B 48 30.638 20.360 -11.452 1.00 30.86 O ATOM 787 HA GLU B 48 31.490 15.806 -9.783 1.00 0.00 H ATOM 788 HB2 GLU B 48 32.928 18.324 -8.928 1.00 0.00 H ATOM 789 HB3 GLU B 48 33.197 17.504 -10.484 1.00 0.00 H ATOM 790 HG2 GLU B 48 30.866 17.795 -11.089 1.00 0.00 H ATOM 791 HG3 GLU B 48 30.506 18.491 -9.492 1.00 0.00 H ATOM 792 H GLU B 48 31.157 17.522 -7.474 1.00 0.00 H ATOM 793 N LYS B 49 33.939 15.735 -7.575 1.00 27.32 N ATOM 794 CA LYS B 49 35.109 14.961 -7.151 1.00 27.75 C ATOM 795 C LYS B 49 34.747 13.500 -6.900 1.00 27.01 C ATOM 796 O LYS B 49 35.507 12.589 -7.264 1.00 27.30 O ATOM 797 CB LYS B 49 35.728 15.587 -5.904 1.00 28.38 C ATOM 798 CG LYS B 49 37.118 15.092 -5.567 1.00 31.49 C ATOM 799 CD LYS B 49 38.049 15.064 -6.777 1.00 35.65 C ATOM 800 CE LYS B 49 38.672 16.414 -7.095 1.00 38.01 C ATOM 801 NZ LYS B 49 39.954 16.200 -7.866 1.00 39.34 N ATOM 802 HA LYS B 49 35.843 14.983 -7.957 1.00 0.00 H ATOM 803 HB2 LYS B 49 35.779 16.665 -6.056 1.00 0.00 H ATOM 804 HB3 LYS B 49 35.077 15.371 -5.057 1.00 0.00 H ATOM 805 HG2 LYS B 49 37.548 15.750 -4.812 1.00 0.00 H ATOM 806 HG3 LYS B 49 37.040 14.082 -5.165 1.00 0.00 H ATOM 807 HD2 LYS B 49 38.850 14.352 -6.580 1.00 0.00 H ATOM 808 HD3 LYS B 49 37.478 14.735 -7.645 1.00 0.00 H ATOM 809 HE2 LYS B 49 38.888 16.944 -6.167 1.00 0.00 H ATOM 810 HE3 LYS B 49 37.979 17.003 -7.695 1.00 0.00 H ATOM 811 HZ1 LYS B 49 40.613 15.637 -7.291 1.00 0.00 H ATOM 812 HZ2 LYS B 49 39.745 15.694 -8.750 1.00 0.00 H ATOM 813 HZ3 LYS B 49 40.383 17.122 -8.085 1.00 0.00 H ATOM 814 H LYS B 49 33.586 16.497 -6.961 1.00 0.00 H ATOM 815 N PHE B 50 33.589 13.284 -6.288 1.00 27.47 N ATOM 816 CA PHE B 50 33.099 11.927 -6.062 1.00 27.08 C ATOM 817 C PHE B 50 32.920 11.196 -7.395 1.00 27.67 C ATOM 818 O PHE B 50 33.350 10.053 -7.554 1.00 28.14 O ATOM 819 CB PHE B 50 31.799 11.948 -5.256 1.00 27.50 C ATOM 820 CG PHE B 50 31.211 10.579 -5.026 1.00 26.64 C ATOM 821 CD1 PHE B 50 31.554 9.840 -3.899 1.00 29.52 C ATOM 822 CD2 PHE B 50 30.300 10.039 -5.935 1.00 27.88 C ATOM 823 CE1 PHE B 50 31.017 8.565 -3.688 1.00 27.94 C ATOM 824 CE2 PHE B 50 29.750 8.749 -5.742 1.00 29.40 C ATOM 825 CZ PHE B 50 30.114 8.017 -4.609 1.00 29.26 C ATOM 826 HA PHE B 50 33.839 11.381 -5.477 1.00 0.00 H ATOM 827 HB2 PHE B 50 32.001 12.404 -4.287 1.00 0.00 H ATOM 828 HB3 PHE B 50 31.068 12.551 -5.795 1.00 0.00 H ATOM 829 HD2 PHE B 50 30.007 10.621 -6.809 1.00 0.00 H ATOM 830 HE2 PHE B 50 29.052 8.332 -6.468 1.00 0.00 H ATOM 831 HZ PHE B 50 29.697 7.024 -4.442 1.00 0.00 H ATOM 832 HE1 PHE B 50 31.302 7.996 -2.803 1.00 0.00 H ATOM 833 HD1 PHE B 50 32.249 10.259 -3.171 1.00 0.00 H ATOM 834 H PHE B 50 33.022 14.094 -5.965 1.00 0.00 H ATOM 835 N ILE B 51 32.258 11.854 -8.339 1.00 27.42 N ATOM 836 CA ILE B 51 32.028 11.275 -9.660 1.00 27.47 C ATOM 837 C ILE B 51 33.351 10.982 -10.403 1.00 28.29 C ATOM 838 O ILE B 51 33.469 9.961 -11.115 1.00 28.80 O ATOM 839 CB ILE B 51 31.060 12.172 -10.470 1.00 27.15 C ATOM 840 CG1 ILE B 51 29.635 12.009 -9.910 1.00 27.32 C ATOM 841 CG2 ILE B 51 31.053 11.782 -11.972 1.00 26.94 C ATOM 842 CD1 ILE B 51 28.679 13.087 -10.377 1.00 27.38 C ATOM 843 HA ILE B 51 31.548 10.304 -9.537 1.00 0.00 H ATOM 844 HB ILE B 51 31.396 13.205 -10.381 1.00 0.00 H ATOM 845 HG12 ILE B 51 29.247 11.041 -10.228 1.00 0.00 H ATOM 846 HG13 ILE B 51 29.685 12.039 -8.822 1.00 0.00 H ATOM 847 HD11 ILE B 51 29.048 14.061 -10.057 1.00 0.00 H ATOM 848 HD12 ILE B 51 28.609 13.063 -11.464 1.00 0.00 H ATOM 849 HD13 ILE B 51 27.694 12.910 -9.944 1.00 0.00 H ATOM 850 HG21 ILE B 51 32.057 11.897 -12.381 1.00 0.00 H ATOM 851 HG22 ILE B 51 30.734 10.745 -12.075 1.00 0.00 H ATOM 852 HG23 ILE B 51 30.363 12.431 -12.511 1.00 0.00 H ATOM 853 H ILE B 51 31.894 12.806 -8.133 1.00 0.00 H ATOM 854 N GLN B 52 34.336 11.861 -10.241 1.00 28.53 N ATOM 855 CA GLN B 52 35.628 11.682 -10.893 1.00 29.87 C ATOM 856 C GLN B 52 36.330 10.433 -10.355 1.00 29.51 C ATOM 857 O GLN B 52 36.893 9.645 -11.118 1.00 29.96 O ATOM 858 CB GLN B 52 36.510 12.916 -10.692 1.00 29.55 C ATOM 859 CG GLN B 52 37.891 12.821 -11.354 1.00 31.35 C ATOM 860 CD GLN B 52 38.865 13.891 -10.862 1.00 32.26 C ATOM 861 OE1 GLN B 52 38.555 14.659 -9.954 1.00 39.34 O ATOM 862 NE2 GLN B 52 40.056 13.934 -11.457 1.00 36.04 N ATOM 863 HA GLN B 52 35.457 11.552 -11.962 1.00 0.00 H ATOM 864 HB2 GLN B 52 35.990 13.779 -11.109 1.00 0.00 H ATOM 865 HB3 GLN B 52 36.654 13.062 -9.621 1.00 0.00 H ATOM 866 HG2 GLN B 52 38.314 11.840 -11.137 1.00 0.00 H ATOM 867 HG3 GLN B 52 37.768 12.932 -12.431 1.00 0.00 H ATOM 868 HE22 GLN B 52 40.279 13.266 -12.222 1.00 0.00 H ATOM 869 HE21 GLN B 52 40.762 14.636 -11.156 1.00 0.00 H ATOM 870 H GLN B 52 34.182 12.693 -9.637 1.00 0.00 H ATOM 871 N LYS B 53 36.266 10.253 -9.038 1.00 29.80 N ATOM 872 CA LYS B 53 37.125 9.289 -8.349 1.00 30.25 C ATOM 873 C LYS B 53 36.460 7.967 -7.941 1.00 29.52 C ATOM 874 O LYS B 53 37.147 7.011 -7.576 1.00 29.35 O ATOM 875 CB LYS B 53 37.786 9.964 -7.138 1.00 30.78 C ATOM 876 CG LYS B 53 38.853 10.972 -7.534 1.00 33.84 C ATOM 877 CD LYS B 53 39.505 11.609 -6.318 1.00 39.09 C ATOM 878 CE LYS B 53 40.599 12.585 -6.725 1.00 40.86 C ATOM 879 NZ LYS B 53 41.900 11.921 -7.026 1.00 42.37 N ATOM 880 HA LYS B 53 37.870 8.990 -9.086 1.00 0.00 H ATOM 881 HB2 LYS B 53 37.016 10.479 -6.563 1.00 0.00 H ATOM 882 HB3 LYS B 53 38.247 9.194 -6.519 1.00 0.00 H ATOM 883 HG2 LYS B 53 39.619 10.464 -8.120 1.00 0.00 H ATOM 884 HG3 LYS B 53 38.393 11.754 -8.139 1.00 0.00 H ATOM 885 HD2 LYS B 53 38.746 12.144 -5.747 1.00 0.00 H ATOM 886 HD3 LYS B 53 39.940 10.826 -5.697 1.00 0.00 H ATOM 887 HE2 LYS B 53 40.752 13.293 -5.911 1.00 0.00 H ATOM 888 HE3 LYS B 53 40.270 13.122 -7.615 1.00 0.00 H ATOM 889 HZ1 LYS B 53 42.232 11.412 -6.182 1.00 0.00 H ATOM 890 HZ2 LYS B 53 41.772 11.249 -7.809 1.00 0.00 H ATOM 891 HZ3 LYS B 53 42.601 12.640 -7.296 1.00 0.00 H ATOM 892 H LYS B 53 35.587 10.813 -8.483 1.00 0.00 H ATOM 893 N CYS B 54 35.141 7.889 -8.019 1.00 29.12 N ATOM 894 CA CYS B 54 34.445 6.741 -7.441 1.00 28.46 C ATOM 895 C CYS B 54 34.552 5.501 -8.322 1.00 28.51 C ATOM 896 O CYS B 54 34.888 5.586 -9.513 1.00 28.76 O ATOM 897 CB CYS B 54 32.978 7.070 -7.166 1.00 27.74 C ATOM 898 SG CYS B 54 32.022 7.323 -8.680 1.00 29.51 S ATOM 899 HA CYS B 54 34.938 6.517 -6.495 1.00 0.00 H ATOM 900 HB2 CYS B 54 32.931 7.980 -6.568 1.00 0.00 H ATOM 901 HB3 CYS B 54 32.535 6.246 -6.607 1.00 0.00 H ATOM 902 HG CYS B 54 32.062 6.175 -9.444 1.00 0.00 H ATOM 903 H CYS B 54 34.601 8.643 -8.490 1.00 0.00 H ATOM 904 N LYS B 55 34.271 4.344 -7.730 1.00 28.47 N ATOM 905 CA LYS B 55 34.222 3.078 -8.483 1.00 28.49 C ATOM 906 C LYS B 55 33.120 3.147 -9.553 1.00 28.44 C ATOM 907 O LYS B 55 32.153 3.900 -9.385 1.00 27.76 O ATOM 908 CB LYS B 55 33.937 1.923 -7.532 1.00 28.81 C ATOM 909 CG LYS B 55 35.098 1.542 -6.615 1.00 33.08 C ATOM 910 CD LYS B 55 34.581 0.796 -5.396 1.00 37.20 C ATOM 911 CE LYS B 55 35.693 0.096 -4.660 1.00 40.50 C ATOM 912 NZ LYS B 55 35.228 -0.292 -3.297 1.00 42.80 N ATOM 913 HA LYS B 55 35.184 2.917 -8.969 1.00 0.00 H ATOM 914 HB2 LYS B 55 33.089 2.201 -6.907 1.00 0.00 H ATOM 915 HB3 LYS B 55 33.676 1.049 -8.129 1.00 0.00 H ATOM 916 HG2 LYS B 55 35.793 0.904 -7.160 1.00 0.00 H ATOM 917 HG3 LYS B 55 35.614 2.446 -6.292 1.00 0.00 H ATOM 918 HD2 LYS B 55 34.104 1.507 -4.722 1.00 0.00 H ATOM 919 HD3 LYS B 55 33.849 0.055 -5.719 1.00 0.00 H ATOM 920 HE2 LYS B 55 36.549 0.766 -4.574 1.00 0.00 H ATOM 921 HE3 LYS B 55 35.986 -0.798 -5.211 1.00 0.00 H ATOM 922 HZ1 LYS B 55 34.949 0.561 -2.771 1.00 0.00 H ATOM 923 HZ2 LYS B 55 34.412 -0.932 -3.379 1.00 0.00 H ATOM 924 HZ3 LYS B 55 35.999 -0.775 -2.793 1.00 0.00 H ATOM 925 H LYS B 55 34.081 4.332 -6.708 1.00 0.00 H ATOM 926 N PRO B 56 33.262 2.379 -10.659 1.00 27.88 N ATOM 927 CA PRO B 56 32.256 2.445 -11.745 1.00 28.40 C ATOM 928 C PRO B 56 30.789 2.271 -11.296 1.00 28.15 C ATOM 929 O PRO B 56 29.915 2.979 -11.799 1.00 28.07 O ATOM 930 CB PRO B 56 32.689 1.323 -12.690 1.00 28.39 C ATOM 931 CG PRO B 56 34.168 1.211 -12.460 1.00 28.66 C ATOM 932 CD PRO B 56 34.356 1.435 -10.988 1.00 28.45 C ATOM 933 HA PRO B 56 32.243 3.437 -12.197 1.00 0.00 H ATOM 934 HD3 PRO B 56 34.252 0.503 -10.432 1.00 0.00 H ATOM 935 HD2 PRO B 56 35.331 1.875 -10.779 1.00 0.00 H ATOM 936 HG3 PRO B 56 34.703 1.968 -13.033 1.00 0.00 H ATOM 937 HG2 PRO B 56 34.526 0.222 -12.745 1.00 0.00 H ATOM 938 HB2 PRO B 56 32.185 0.389 -12.441 1.00 0.00 H ATOM 939 HB3 PRO B 56 32.476 1.584 -13.727 1.00 0.00 H ATOM 940 N GLU B 57 30.531 1.380 -10.338 1.00 28.26 N ATOM 941 CA GLU B 57 29.151 1.138 -9.881 1.00 28.25 C ATOM 942 C GLU B 57 28.520 2.332 -9.161 1.00 27.83 C ATOM 943 O GLU B 57 27.302 2.344 -8.939 1.00 27.35 O ATOM 944 CB GLU B 57 29.065 -0.121 -9.004 1.00 28.72 C ATOM 945 CG GLU B 57 29.864 -0.053 -7.700 1.00 30.70 C ATOM 946 CD GLU B 57 31.274 -0.625 -7.822 1.00 32.27 C ATOM 947 OE1 GLU B 57 31.808 -0.733 -8.956 1.00 32.40 O ATOM 948 OE2 GLU B 57 31.846 -0.983 -6.766 1.00 34.05 O ATOM 949 HA GLU B 57 28.569 0.982 -10.790 1.00 0.00 H ATOM 950 HB2 GLU B 57 28.018 -0.288 -8.752 1.00 0.00 H ATOM 951 HB3 GLU B 57 29.436 -0.965 -9.585 1.00 0.00 H ATOM 952 HG2 GLU B 57 29.939 0.991 -7.395 1.00 0.00 H ATOM 953 HG3 GLU B 57 29.328 -0.616 -6.936 1.00 0.00 H ATOM 954 H GLU B 57 31.314 0.849 -9.907 1.00 0.00 H ATOM 955 N TYR B 58 29.338 3.332 -8.802 1.00 26.79 N ATOM 956 CA TYR B 58 28.837 4.542 -8.134 1.00 26.58 C ATOM 957 C TYR B 58 28.653 5.753 -9.055 1.00 26.63 C ATOM 958 O TYR B 58 28.187 6.802 -8.607 1.00 27.01 O ATOM 959 CB TYR B 58 29.708 4.907 -6.934 1.00 26.53 C ATOM 960 CG TYR B 58 29.597 3.898 -5.826 1.00 26.58 C ATOM 961 CD1 TYR B 58 28.433 3.803 -5.064 1.00 26.44 C ATOM 962 CD2 TYR B 58 30.652 3.032 -5.540 1.00 27.20 C ATOM 963 CE1 TYR B 58 28.316 2.843 -4.055 1.00 27.03 C ATOM 964 CE2 TYR B 58 30.551 2.086 -4.525 1.00 28.46 C ATOM 965 CZ TYR B 58 29.387 2.014 -3.773 1.00 26.66 C ATOM 966 OH TYR B 58 29.309 1.053 -2.781 1.00 26.59 O ATOM 967 HA TYR B 58 27.835 4.281 -7.793 1.00 0.00 H ATOM 968 HB3 TYR B 58 29.395 5.880 -6.556 1.00 0.00 H ATOM 969 HB2 TYR B 58 30.747 4.961 -7.258 1.00 0.00 H ATOM 970 HD2 TYR B 58 31.571 3.097 -6.122 1.00 0.00 H ATOM 971 HE2 TYR B 58 31.379 1.407 -4.322 1.00 0.00 H ATOM 972 HE1 TYR B 58 27.386 2.748 -3.494 1.00 0.00 H ATOM 973 HD1 TYR B 58 27.605 4.485 -5.257 1.00 0.00 H ATOM 974 HH TYR B 58 28.430 1.117 -2.330 1.00 0.00 H ATOM 975 H TYR B 58 30.355 3.249 -9.002 1.00 0.00 H ATOM 976 N LYS B 59 28.959 5.588 -10.346 1.00 27.15 N ATOM 977 CA LYS B 59 28.753 6.685 -11.306 1.00 27.54 C ATOM 978 C LYS B 59 27.277 7.073 -11.349 1.00 27.62 C ATOM 979 O LYS B 59 26.940 8.242 -11.158 1.00 28.22 O ATOM 980 CB LYS B 59 29.261 6.325 -12.721 1.00 27.78 C ATOM 981 CG LYS B 59 30.752 5.968 -12.831 1.00 27.78 C ATOM 982 CD LYS B 59 31.671 7.082 -12.346 1.00 27.11 C ATOM 983 CE LYS B 59 33.113 6.630 -12.486 1.00 30.33 C ATOM 984 NZ LYS B 59 34.095 7.533 -11.819 1.00 30.51 N ATOM 985 HA LYS B 59 29.340 7.537 -10.963 1.00 0.00 H ATOM 986 HB2 LYS B 59 28.686 5.469 -13.074 1.00 0.00 H ATOM 987 HB3 LYS B 59 29.074 7.180 -13.370 1.00 0.00 H ATOM 988 HG2 LYS B 59 30.941 5.077 -12.232 1.00 0.00 H ATOM 989 HG3 LYS B 59 30.982 5.758 -13.875 1.00 0.00 H ATOM 990 HD2 LYS B 59 31.509 7.977 -12.946 1.00 0.00 H ATOM 991 HD3 LYS B 59 31.457 7.303 -11.300 1.00 0.00 H ATOM 992 HE2 LYS B 59 33.357 6.581 -13.547 1.00 0.00 H ATOM 993 HE3 LYS B 59 33.206 5.637 -12.047 1.00 0.00 H ATOM 994 HZ1 LYS B 59 34.027 8.484 -12.235 1.00 0.00 H ATOM 995 HZ2 LYS B 59 33.884 7.582 -10.802 1.00 0.00 H ATOM 996 HZ3 LYS B 59 35.056 7.160 -11.957 1.00 0.00 H ATOM 997 H LYS B 59 29.345 4.680 -10.674 1.00 0.00 H ATOM 998 N VAL B 60 26.401 6.099 -11.592 1.00 27.86 N ATOM 999 CA VAL B 60 24.952 6.400 -11.651 1.00 28.52 C ATOM 1000 C VAL B 60 24.411 6.948 -10.308 1.00 27.86 C ATOM 1001 O VAL B 60 23.702 7.961 -10.298 1.00 26.95 O ATOM 1002 CB VAL B 60 24.130 5.230 -12.229 1.00 28.92 C ATOM 1003 CG1 VAL B 60 22.637 5.437 -11.999 1.00 29.99 C ATOM 1004 CG2 VAL B 60 24.437 5.079 -13.724 1.00 30.79 C ATOM 1005 HA VAL B 60 24.824 7.214 -12.364 1.00 0.00 H ATOM 1006 HB VAL B 60 24.413 4.313 -11.712 1.00 0.00 H ATOM 1007 HG11 VAL B 60 22.441 5.504 -10.929 1.00 0.00 H ATOM 1008 HG12 VAL B 60 22.320 6.359 -12.486 1.00 0.00 H ATOM 1009 HG13 VAL B 60 22.086 4.595 -12.418 1.00 0.00 H ATOM 1010 HG21 VAL B 60 24.173 6.001 -14.243 1.00 0.00 H ATOM 1011 HG22 VAL B 60 25.500 4.878 -13.857 1.00 0.00 H ATOM 1012 HG23 VAL B 60 23.856 4.252 -14.131 1.00 0.00 H ATOM 1013 H VAL B 60 26.735 5.125 -11.741 1.00 0.00 H ATOM 1014 N PRO B 61 24.751 6.306 -9.174 1.00 27.20 N ATOM 1015 CA PRO B 61 24.426 6.985 -7.899 1.00 26.78 C ATOM 1016 C PRO B 61 24.902 8.446 -7.795 1.00 26.74 C ATOM 1017 O PRO B 61 24.164 9.292 -7.281 1.00 25.73 O ATOM 1018 CB PRO B 61 25.108 6.088 -6.855 1.00 26.27 C ATOM 1019 CG PRO B 61 25.001 4.701 -7.478 1.00 27.02 C ATOM 1020 CD PRO B 61 25.287 4.953 -8.944 1.00 27.17 C ATOM 1021 HA PRO B 61 23.348 7.089 -7.773 1.00 0.00 H ATOM 1022 HD3 PRO B 61 26.358 4.919 -9.143 1.00 0.00 H ATOM 1023 HD2 PRO B 61 24.779 4.221 -9.571 1.00 0.00 H ATOM 1024 HG3 PRO B 61 24.002 4.287 -7.340 1.00 0.00 H ATOM 1025 HG2 PRO B 61 25.737 4.022 -7.048 1.00 0.00 H ATOM 1026 HB2 PRO B 61 26.150 6.375 -6.711 1.00 0.00 H ATOM 1027 HB3 PRO B 61 24.586 6.131 -5.899 1.00 0.00 H ATOM 1028 N GLY B 62 26.104 8.746 -8.286 1.00 26.35 N ATOM 1029 CA GLY B 62 26.606 10.117 -8.304 1.00 26.91 C ATOM 1030 C GLY B 62 25.711 11.029 -9.143 1.00 26.60 C ATOM 1031 O GLY B 62 25.396 12.146 -8.745 1.00 26.67 O ATOM 1032 HA3 GLY B 62 27.611 10.121 -8.725 1.00 0.00 H ATOM 1033 HA2 GLY B 62 26.640 10.496 -7.282 1.00 0.00 H ATOM 1034 H GLY B 62 26.700 7.983 -8.666 1.00 0.00 H ATOM 1035 N LEU B 63 25.301 10.548 -10.306 1.00 26.96 N ATOM 1036 CA LEU B 63 24.355 11.299 -11.139 1.00 26.80 C ATOM 1037 C LEU B 63 23.017 11.502 -10.433 1.00 26.93 C ATOM 1038 O LEU B 63 22.415 12.569 -10.509 1.00 27.59 O ATOM 1039 CB LEU B 63 24.158 10.579 -12.479 1.00 26.78 C ATOM 1040 CG LEU B 63 23.096 11.207 -13.400 1.00 28.44 C ATOM 1041 CD1 LEU B 63 23.436 12.652 -13.781 1.00 27.47 C ATOM 1042 CD2 LEU B 63 22.983 10.362 -14.646 1.00 29.24 C ATOM 1043 HA LEU B 63 24.775 12.288 -11.322 1.00 0.00 H ATOM 1044 HB2 LEU B 63 25.111 10.581 -13.009 1.00 0.00 H ATOM 1045 HB3 LEU B 63 23.862 9.551 -12.271 1.00 0.00 H ATOM 1046 HG LEU B 63 22.149 11.235 -12.861 1.00 0.00 H ATOM 1047 HD21 LEU B 63 23.947 10.334 -15.153 1.00 0.00 H ATOM 1048 HD22 LEU B 63 22.687 9.350 -14.371 1.00 0.00 H ATOM 1049 HD23 LEU B 63 22.234 10.794 -15.310 1.00 0.00 H ATOM 1050 HD11 LEU B 63 23.501 13.259 -12.878 1.00 0.00 H ATOM 1051 HD12 LEU B 63 24.392 12.673 -14.304 1.00 0.00 H ATOM 1052 HD13 LEU B 63 22.656 13.048 -14.431 1.00 0.00 H ATOM 1053 H LEU B 63 25.654 9.626 -10.633 1.00 0.00 H ATOM 1054 N TYR B 64 22.543 10.465 -9.751 1.00 26.23 N ATOM 1055 CA TYR B 64 21.306 10.579 -8.989 1.00 25.90 C ATOM 1056 C TYR B 64 21.417 11.648 -7.894 1.00 26.50 C ATOM 1057 O TYR B 64 20.435 12.317 -7.590 1.00 26.21 O ATOM 1058 CB TYR B 64 20.911 9.222 -8.406 1.00 26.24 C ATOM 1059 CG TYR B 64 20.376 8.234 -9.422 1.00 26.15 C ATOM 1060 CD1 TYR B 64 20.087 8.627 -10.730 1.00 27.13 C ATOM 1061 CD2 TYR B 64 20.146 6.897 -9.068 1.00 26.97 C ATOM 1062 CE1 TYR B 64 19.584 7.706 -11.668 1.00 27.74 C ATOM 1063 CE2 TYR B 64 19.628 5.987 -9.989 1.00 28.33 C ATOM 1064 CZ TYR B 64 19.367 6.392 -11.283 1.00 27.33 C ATOM 1065 OH TYR B 64 18.867 5.486 -12.199 1.00 27.89 O ATOM 1066 HA TYR B 64 20.517 10.899 -9.670 1.00 0.00 H ATOM 1067 HB3 TYR B 64 20.141 9.386 -7.652 1.00 0.00 H ATOM 1068 HB2 TYR B 64 21.791 8.784 -7.935 1.00 0.00 H ATOM 1069 HD2 TYR B 64 20.376 6.563 -8.056 1.00 0.00 H ATOM 1070 HE2 TYR B 64 19.430 4.958 -9.688 1.00 0.00 H ATOM 1071 HE1 TYR B 64 19.367 8.023 -12.688 1.00 0.00 H ATOM 1072 HD1 TYR B 64 20.253 9.662 -11.029 1.00 0.00 H ATOM 1073 HH TYR B 64 18.738 5.937 -13.071 1.00 0.00 H ATOM 1074 H TYR B 64 23.060 9.563 -9.761 1.00 0.00 H ATOM 1075 N VAL B 65 22.597 11.763 -7.289 1.00 27.27 N ATOM 1076 CA VAL B 65 22.872 12.847 -6.330 1.00 27.08 C ATOM 1077 C VAL B 65 22.647 14.208 -6.980 1.00 27.45 C ATOM 1078 O VAL B 65 21.977 15.055 -6.404 1.00 27.37 O ATOM 1079 CB VAL B 65 24.278 12.719 -5.682 1.00 27.01 C ATOM 1080 CG1 VAL B 65 24.600 13.967 -4.889 1.00 28.04 C ATOM 1081 CG2 VAL B 65 24.339 11.465 -4.759 1.00 28.18 C ATOM 1082 HA VAL B 65 22.162 12.755 -5.509 1.00 0.00 H ATOM 1083 HB VAL B 65 25.018 12.603 -6.474 1.00 0.00 H ATOM 1084 HG11 VAL B 65 24.589 14.831 -5.553 1.00 0.00 H ATOM 1085 HG12 VAL B 65 23.855 14.100 -4.105 1.00 0.00 H ATOM 1086 HG13 VAL B 65 25.588 13.866 -4.440 1.00 0.00 H ATOM 1087 HG21 VAL B 65 23.592 11.559 -3.971 1.00 0.00 H ATOM 1088 HG22 VAL B 65 24.137 10.571 -5.349 1.00 0.00 H ATOM 1089 HG23 VAL B 65 25.331 11.391 -4.314 1.00 0.00 H ATOM 1090 H VAL B 65 23.344 11.070 -7.499 1.00 0.00 H ATOM 1091 N ILE B 66 23.212 14.421 -8.169 1.00 26.91 N ATOM 1092 CA ILE B 66 23.018 15.699 -8.881 1.00 26.66 C ATOM 1093 C ILE B 66 21.522 15.912 -9.107 1.00 26.88 C ATOM 1094 O ILE B 66 20.980 16.969 -8.803 1.00 25.86 O ATOM 1095 CB ILE B 66 23.765 15.738 -10.234 1.00 26.74 C ATOM 1096 CG1 ILE B 66 25.297 15.666 -10.024 1.00 26.31 C ATOM 1097 CG2 ILE B 66 23.335 16.994 -11.047 1.00 26.50 C ATOM 1098 CD1 ILE B 66 26.102 15.653 -11.347 1.00 27.24 C ATOM 1099 HA ILE B 66 23.433 16.497 -8.266 1.00 0.00 H ATOM 1100 HB ILE B 66 23.490 14.860 -10.818 1.00 0.00 H ATOM 1101 HG12 ILE B 66 25.607 16.533 -9.440 1.00 0.00 H ATOM 1102 HG13 ILE B 66 25.527 14.756 -9.471 1.00 0.00 H ATOM 1103 HD11 ILE B 66 25.812 14.785 -11.939 1.00 0.00 H ATOM 1104 HD12 ILE B 66 25.891 16.564 -11.908 1.00 0.00 H ATOM 1105 HD13 ILE B 66 27.167 15.602 -11.122 1.00 0.00 H ATOM 1106 HG21 ILE B 66 22.261 16.956 -11.232 1.00 0.00 H ATOM 1107 HG22 ILE B 66 23.575 17.893 -10.479 1.00 0.00 H ATOM 1108 HG23 ILE B 66 23.868 17.010 -11.998 1.00 0.00 H ATOM 1109 H ILE B 66 23.797 13.677 -8.600 1.00 0.00 H ATOM 1110 N ASP B 67 20.869 14.901 -9.675 1.00 26.16 N ATOM 1111 CA ASP B 67 19.436 14.950 -9.947 1.00 26.77 C ATOM 1112 C ASP B 67 18.624 15.329 -8.716 1.00 26.59 C ATOM 1113 O ASP B 67 17.775 16.250 -8.759 1.00 26.49 O ATOM 1114 CB ASP B 67 18.953 13.595 -10.502 1.00 26.79 C ATOM 1115 CG ASP B 67 17.473 13.618 -10.859 1.00 28.48 C ATOM 1116 OD1 ASP B 67 17.128 14.335 -11.829 1.00 30.43 O ATOM 1117 OD2 ASP B 67 16.656 12.979 -10.155 1.00 28.58 O ATOM 1118 HA ASP B 67 19.277 15.729 -10.693 1.00 0.00 H ATOM 1119 HB2 ASP B 67 19.527 13.356 -11.397 1.00 0.00 H ATOM 1120 HB3 ASP B 67 19.121 12.826 -9.748 1.00 0.00 H ATOM 1121 H ASP B 67 21.399 14.045 -9.935 1.00 0.00 H ATOM 1122 N SER B 68 18.875 14.630 -7.611 1.00 25.74 N ATOM 1123 CA SER B 68 18.087 14.832 -6.393 1.00 27.12 C ATOM 1124 C SER B 68 18.311 16.238 -5.808 1.00 26.84 C ATOM 1125 O SER B 68 17.341 16.897 -5.415 1.00 26.36 O ATOM 1126 CB SER B 68 18.428 13.764 -5.355 1.00 27.77 C ATOM 1127 OG SER B 68 17.574 13.848 -4.220 1.00 29.88 O ATOM 1128 HA SER B 68 17.033 14.743 -6.658 1.00 0.00 H ATOM 1129 HB2 SER B 68 19.460 13.900 -5.033 1.00 0.00 H ATOM 1130 HB3 SER B 68 18.317 12.780 -5.810 1.00 0.00 H ATOM 1131 HG SER B 68 17.822 13.144 -3.569 1.00 0.00 H ATOM 1132 H SER B 68 19.643 13.929 -7.613 1.00 0.00 H ATOM 1133 N ILE B 69 19.575 16.672 -5.748 1.00 26.68 N ATOM 1134 CA ILE B 69 19.909 18.018 -5.236 1.00 26.58 C ATOM 1135 C ILE B 69 19.244 19.099 -6.097 1.00 26.70 C ATOM 1136 O ILE B 69 18.566 19.981 -5.581 1.00 25.35 O ATOM 1137 CB ILE B 69 21.433 18.262 -5.195 1.00 27.48 C ATOM 1138 CG1 ILE B 69 22.067 17.355 -4.141 1.00 27.10 C ATOM 1139 CG2 ILE B 69 21.738 19.759 -4.864 1.00 27.58 C ATOM 1140 CD1 ILE B 69 23.623 17.296 -4.220 1.00 27.53 C ATOM 1141 HA ILE B 69 19.530 18.073 -4.216 1.00 0.00 H ATOM 1142 HB ILE B 69 21.855 18.031 -6.173 1.00 0.00 H ATOM 1143 HG12 ILE B 69 21.786 17.724 -3.155 1.00 0.00 H ATOM 1144 HG13 ILE B 69 21.677 16.346 -4.275 1.00 0.00 H ATOM 1145 HD11 ILE B 69 23.922 16.917 -5.197 1.00 0.00 H ATOM 1146 HD12 ILE B 69 24.031 18.296 -4.076 1.00 0.00 H ATOM 1147 HD13 ILE B 69 24.000 16.633 -3.441 1.00 0.00 H ATOM 1148 HG21 ILE B 69 21.297 20.396 -5.630 1.00 0.00 H ATOM 1149 HG22 ILE B 69 21.312 20.009 -3.892 1.00 0.00 H ATOM 1150 HG23 ILE B 69 22.817 19.912 -4.839 1.00 0.00 H ATOM 1151 H ILE B 69 20.342 16.047 -6.069 1.00 0.00 H ATOM 1152 N VAL B 70 19.418 18.997 -7.409 1.00 26.80 N ATOM 1153 CA VAL B 70 18.884 20.026 -8.311 1.00 27.28 C ATOM 1154 C VAL B 70 17.361 20.071 -8.247 1.00 27.72 C ATOM 1155 O VAL B 70 16.767 21.142 -8.149 1.00 26.31 O ATOM 1156 CB VAL B 70 19.374 19.800 -9.743 1.00 27.86 C ATOM 1157 CG1 VAL B 70 18.575 20.677 -10.723 1.00 28.87 C ATOM 1158 CG2 VAL B 70 20.886 20.068 -9.821 1.00 28.00 C ATOM 1159 HA VAL B 70 19.257 20.995 -7.980 1.00 0.00 H ATOM 1160 HB VAL B 70 19.207 18.762 -10.032 1.00 0.00 H ATOM 1161 HG11 VAL B 70 17.518 20.418 -10.662 1.00 0.00 H ATOM 1162 HG12 VAL B 70 18.709 21.727 -10.461 1.00 0.00 H ATOM 1163 HG13 VAL B 70 18.934 20.506 -11.738 1.00 0.00 H ATOM 1164 HG21 VAL B 70 21.087 21.099 -9.528 1.00 0.00 H ATOM 1165 HG22 VAL B 70 21.409 19.389 -9.148 1.00 0.00 H ATOM 1166 HG23 VAL B 70 21.230 19.906 -10.842 1.00 0.00 H ATOM 1167 H VAL B 70 19.935 18.184 -7.800 1.00 0.00 H ATOM 1168 N ARG B 71 16.716 18.904 -8.240 1.00 27.36 N ATOM 1169 CA ARG B 71 15.255 18.896 -8.222 1.00 27.61 C ATOM 1170 C ARG B 71 14.724 19.371 -6.870 1.00 26.42 C ATOM 1171 O ARG B 71 13.733 20.114 -6.815 1.00 26.25 O ATOM 1172 CB ARG B 71 14.714 17.518 -8.630 1.00 27.93 C ATOM 1173 CG ARG B 71 15.000 17.209 -10.108 1.00 28.92 C ATOM 1174 CD ARG B 71 14.208 16.013 -10.654 1.00 30.92 C ATOM 1175 NE ARG B 71 14.389 14.793 -9.865 1.00 36.82 N ATOM 1176 CZ ARG B 71 13.408 14.137 -9.254 1.00 38.10 C ATOM 1177 NH1 ARG B 71 12.155 14.576 -9.313 1.00 41.32 N ATOM 1178 NH2 ARG B 71 13.679 13.040 -8.567 1.00 41.51 N ATOM 1179 HA ARG B 71 14.888 19.606 -8.963 1.00 0.00 H ATOM 1180 HB2 ARG B 71 15.187 16.755 -8.012 1.00 0.00 H ATOM 1181 HB3 ARG B 71 13.636 17.499 -8.467 1.00 0.00 H ATOM 1182 HG2 ARG B 71 14.746 18.089 -10.699 1.00 0.00 H ATOM 1183 HG3 ARG B 71 16.063 16.996 -10.215 1.00 0.00 H ATOM 1184 HD2 ARG B 71 14.535 15.817 -11.675 1.00 0.00 H ATOM 1185 HD3 ARG B 71 13.149 16.270 -10.656 1.00 0.00 H ATOM 1186 HE ARG B 71 15.353 14.413 -9.777 1.00 0.00 H ATOM 1187 HH12 ARG B 71 11.397 14.052 -8.830 1.00 0.00 H ATOM 1188 HH11 ARG B 71 11.932 15.443 -9.842 1.00 0.00 H ATOM 1189 HH22 ARG B 71 12.914 12.524 -8.088 1.00 0.00 H ATOM 1190 HH21 ARG B 71 14.658 12.693 -8.506 1.00 0.00 H ATOM 1191 H ARG B 71 17.247 18.010 -8.247 1.00 0.00 H ATOM 1192 N GLN B 72 15.406 19.003 -5.785 1.00 25.76 N ATOM 1193 CA GLN B 72 14.958 19.456 -4.463 1.00 25.87 C ATOM 1194 C GLN B 72 15.147 20.956 -4.316 1.00 24.89 C ATOM 1195 O GLN B 72 14.283 21.631 -3.757 1.00 25.03 O ATOM 1196 CB GLN B 72 15.670 18.702 -3.332 1.00 25.78 C ATOM 1197 CG GLN B 72 15.286 19.164 -1.914 1.00 29.43 C ATOM 1198 CD GLN B 72 13.813 18.974 -1.627 1.00 32.19 C ATOM 1199 OE1 GLN B 72 13.196 18.018 -2.101 1.00 34.84 O ATOM 1200 NE2 GLN B 72 13.233 19.888 -0.851 1.00 33.46 N ATOM 1201 HA GLN B 72 13.894 19.233 -4.383 1.00 0.00 H ATOM 1202 HB2 GLN B 72 15.427 17.643 -3.423 1.00 0.00 H ATOM 1203 HB3 GLN B 72 16.744 18.839 -3.455 1.00 0.00 H ATOM 1204 HG2 GLN B 72 15.862 18.588 -1.190 1.00 0.00 H ATOM 1205 HG3 GLN B 72 15.530 20.221 -1.812 1.00 0.00 H ATOM 1206 HE22 GLN B 72 13.792 20.679 -0.472 1.00 0.00 H ATOM 1207 HE21 GLN B 72 12.221 19.811 -0.624 1.00 0.00 H ATOM 1208 H GLN B 72 16.248 18.400 -5.875 1.00 0.00 H ATOM 1209 N SER B 73 16.274 21.464 -4.804 1.00 24.33 N ATOM 1210 CA SER B 73 16.545 22.914 -4.739 1.00 24.73 C ATOM 1211 C SER B 73 15.518 23.713 -5.549 1.00 24.85 C ATOM 1212 O SER B 73 14.996 24.730 -5.083 1.00 24.72 O ATOM 1213 CB SER B 73 17.979 23.227 -5.195 1.00 24.49 C ATOM 1214 OG SER B 73 18.216 24.629 -5.188 1.00 26.05 O ATOM 1215 HA SER B 73 16.450 23.222 -3.698 1.00 0.00 H ATOM 1216 HB2 SER B 73 18.125 22.845 -6.205 1.00 0.00 H ATOM 1217 HB3 SER B 73 18.683 22.742 -4.519 1.00 0.00 H ATOM 1218 HG SER B 73 19.144 24.807 -5.484 1.00 0.00 H ATOM 1219 H SER B 73 16.976 20.831 -5.238 1.00 0.00 H ATOM 1220 N ARG B 74 15.211 23.251 -6.761 1.00 24.89 N ATOM 1221 CA ARG B 74 14.209 23.919 -7.591 1.00 24.43 C ATOM 1222 C ARG B 74 12.849 23.959 -6.888 1.00 24.45 C ATOM 1223 O ARG B 74 12.162 24.966 -6.910 1.00 24.15 O ATOM 1224 CB ARG B 74 14.120 23.253 -8.970 1.00 24.65 C ATOM 1225 CG ARG B 74 15.340 23.553 -9.837 1.00 25.28 C ATOM 1226 CD ARG B 74 15.484 22.582 -11.032 1.00 25.22 C ATOM 1227 NE ARG B 74 14.280 22.549 -11.851 1.00 27.18 N ATOM 1228 CZ ARG B 74 13.981 23.419 -12.820 1.00 28.56 C ATOM 1229 NH1 ARG B 74 14.792 24.431 -13.117 1.00 29.32 N ATOM 1230 NH2 ARG B 74 12.852 23.282 -13.494 1.00 30.15 N ATOM 1231 HA ARG B 74 14.521 24.952 -7.743 1.00 0.00 H ATOM 1232 HB2 ARG B 74 14.042 22.174 -8.834 1.00 0.00 H ATOM 1233 HB3 ARG B 74 13.229 23.619 -9.480 1.00 0.00 H ATOM 1234 HG2 ARG B 74 15.251 24.569 -10.223 1.00 0.00 H ATOM 1235 HG3 ARG B 74 16.234 23.478 -9.218 1.00 0.00 H ATOM 1236 HD2 ARG B 74 15.679 21.580 -10.651 1.00 0.00 H ATOM 1237 HD3 ARG B 74 16.322 22.904 -11.650 1.00 0.00 H ATOM 1238 HE ARG B 74 13.598 21.786 -11.667 1.00 0.00 H ATOM 1239 HH12 ARG B 74 14.538 25.096 -13.876 1.00 0.00 H ATOM 1240 HH11 ARG B 74 15.680 24.558 -12.591 1.00 0.00 H ATOM 1241 HH22 ARG B 74 12.612 23.955 -14.250 1.00 0.00 H ATOM 1242 HH21 ARG B 74 12.203 22.501 -13.269 1.00 0.00 H ATOM 1243 H ARG B 74 15.691 22.402 -7.122 1.00 0.00 H ATOM 1244 N HIS B 75 12.514 22.875 -6.194 1.00 24.61 N ATOM 1245 CA HIS B 75 11.262 22.788 -5.447 1.00 25.16 C ATOM 1246 C HIS B 75 11.230 23.725 -4.244 1.00 24.47 C ATOM 1247 O HIS B 75 10.241 24.439 -4.029 1.00 24.67 O ATOM 1248 CB HIS B 75 11.057 21.350 -4.967 1.00 26.23 C ATOM 1249 CG HIS B 75 9.770 21.132 -4.244 1.00 28.84 C ATOM 1250 ND1 HIS B 75 8.549 21.100 -4.884 1.00 33.45 N ATOM 1251 CD2 HIS B 75 9.512 20.949 -2.928 1.00 31.94 C ATOM 1252 CE1 HIS B 75 7.594 20.904 -3.993 1.00 33.85 C ATOM 1253 NE2 HIS B 75 8.152 20.808 -2.800 1.00 33.49 N ATOM 1254 HA HIS B 75 10.461 23.091 -6.121 1.00 0.00 H ATOM 1255 HB2 HIS B 75 11.079 20.692 -5.835 1.00 0.00 H ATOM 1256 HB3 HIS B 75 11.876 21.092 -4.296 1.00 0.00 H ATOM 1257 HD2 HIS B 75 10.245 20.919 -2.122 1.00 0.00 H ATOM 1258 HE1 HIS B 75 6.527 20.834 -4.206 1.00 0.00 H ATOM 1259 H HIS B 75 13.164 22.063 -6.183 1.00 0.00 H ATOM 1260 N GLN B 76 12.314 23.685 -3.471 1.00 24.06 N ATOM 1261 CA GLN B 76 12.408 24.368 -2.183 1.00 23.45 C ATOM 1262 C GLN B 76 12.655 25.880 -2.306 1.00 23.08 C ATOM 1263 O GLN B 76 12.140 26.656 -1.491 1.00 22.01 O ATOM 1264 CB GLN B 76 13.493 23.715 -1.339 1.00 23.72 C ATOM 1265 CG GLN B 76 13.594 24.254 0.041 1.00 24.38 C ATOM 1266 CD GLN B 76 14.307 23.314 0.980 1.00 26.57 C ATOM 1267 OE1 GLN B 76 14.541 22.139 0.672 1.00 27.39 O ATOM 1268 NE2 GLN B 76 14.673 23.831 2.133 1.00 29.30 N ATOM 1269 HA GLN B 76 11.439 24.264 -1.695 1.00 0.00 H ATOM 1270 HB2 GLN B 76 13.282 22.648 -1.275 1.00 0.00 H ATOM 1271 HB3 GLN B 76 14.451 23.865 -1.837 1.00 0.00 H ATOM 1272 HG2 GLN B 76 14.140 25.197 0.009 1.00 0.00 H ATOM 1273 HG3 GLN B 76 12.588 24.431 0.421 1.00 0.00 H ATOM 1274 HE22 GLN B 76 14.455 24.825 2.350 1.00 0.00 H ATOM 1275 HE21 GLN B 76 15.180 23.246 2.828 1.00 0.00 H ATOM 1276 H GLN B 76 13.136 23.140 -3.801 1.00 0.00 H ATOM 1277 N PHE B 77 13.422 26.283 -3.320 1.00 22.79 N ATOM 1278 CA PHE B 77 13.780 27.701 -3.528 1.00 23.32 C ATOM 1279 C PHE B 77 13.160 28.365 -4.749 1.00 23.76 C ATOM 1280 O PHE B 77 13.141 29.600 -4.863 1.00 23.17 O ATOM 1281 CB PHE B 77 15.312 27.835 -3.569 1.00 22.81 C ATOM 1282 CG PHE B 77 15.976 27.311 -2.333 1.00 23.37 C ATOM 1283 CD1 PHE B 77 16.010 28.080 -1.152 1.00 23.35 C ATOM 1284 CD2 PHE B 77 16.538 26.047 -2.337 1.00 24.30 C ATOM 1285 CE1 PHE B 77 16.613 27.580 0.004 1.00 23.05 C ATOM 1286 CE2 PHE B 77 17.154 25.519 -1.182 1.00 24.39 C ATOM 1287 CZ PHE B 77 17.183 26.297 -0.003 1.00 24.18 C ATOM 1288 HA PHE B 77 13.354 28.238 -2.681 1.00 0.00 H ATOM 1289 HB2 PHE B 77 15.687 27.279 -4.428 1.00 0.00 H ATOM 1290 HB3 PHE B 77 15.566 28.889 -3.681 1.00 0.00 H ATOM 1291 HD2 PHE B 77 16.505 25.449 -3.247 1.00 0.00 H ATOM 1292 HE2 PHE B 77 17.601 24.525 -1.199 1.00 0.00 H ATOM 1293 HZ PHE B 77 17.647 25.901 0.900 1.00 0.00 H ATOM 1294 HE1 PHE B 77 16.641 28.185 0.910 1.00 0.00 H ATOM 1295 HD1 PHE B 77 15.562 29.073 -1.141 1.00 0.00 H ATOM 1296 H PHE B 77 13.781 25.573 -3.989 1.00 0.00 H ATOM 1297 N GLY B 78 12.629 27.551 -5.655 1.00 24.13 N ATOM 1298 CA GLY B 78 12.026 28.089 -6.876 1.00 25.84 C ATOM 1299 C GLY B 78 12.893 27.730 -8.057 1.00 26.39 C ATOM 1300 O GLY B 78 14.118 27.691 -7.959 1.00 26.17 O ATOM 1301 HA3 GLY B 78 11.948 29.173 -6.797 1.00 0.00 H ATOM 1302 HA2 GLY B 78 11.032 27.663 -7.010 1.00 0.00 H ATOM 1303 H GLY B 78 12.642 26.523 -5.496 1.00 0.00 H ATOM 1304 N GLN B 79 12.262 27.459 -9.194 1.00 28.21 N ATOM 1305 CA GLN B 79 13.023 27.027 -10.356 1.00 29.70 C ATOM 1306 C GLN B 79 14.046 28.064 -10.811 1.00 29.30 C ATOM 1307 O GLN B 79 15.163 27.694 -11.191 1.00 30.59 O ATOM 1308 CB GLN B 79 12.085 26.654 -11.499 1.00 29.96 C ATOM 1309 CG GLN B 79 11.191 25.465 -11.182 1.00 32.55 C ATOM 1310 CD GLN B 79 10.284 25.089 -12.344 1.00 32.59 C ATOM 1311 OE1 GLN B 79 9.994 25.903 -13.219 1.00 35.24 O ATOM 1312 NE2 GLN B 79 9.833 23.840 -12.352 1.00 37.71 N ATOM 1313 HA GLN B 79 13.587 26.144 -10.056 1.00 0.00 H ATOM 1314 HB2 GLN B 79 11.452 27.513 -11.722 1.00 0.00 H ATOM 1315 HB3 GLN B 79 12.687 26.411 -12.375 1.00 0.00 H ATOM 1316 HG2 GLN B 79 11.821 24.609 -10.939 1.00 0.00 H ATOM 1317 HG3 GLN B 79 10.571 25.714 -10.321 1.00 0.00 H ATOM 1318 HE22 GLN B 79 10.104 23.184 -11.591 1.00 0.00 H ATOM 1319 HE21 GLN B 79 9.209 23.517 -13.119 1.00 0.00 H ATOM 1320 H GLN B 79 11.228 27.555 -9.253 1.00 0.00 H ATOM 1321 N GLU B 80 13.664 29.342 -10.735 1.00 29.51 N ATOM 1322 CA GLU B 80 14.529 30.417 -11.203 1.00 29.95 C ATOM 1323 C GLU B 80 15.543 30.874 -10.158 1.00 29.96 C ATOM 1324 O GLU B 80 16.503 31.573 -10.492 1.00 30.78 O ATOM 1325 CB GLU B 80 13.705 31.600 -11.743 1.00 30.20 C ATOM 1326 CG GLU B 80 12.870 31.265 -12.984 1.00 31.79 C ATOM 1327 CD GLU B 80 13.694 30.670 -14.125 1.00 34.21 C ATOM 1328 OE1 GLU B 80 14.730 31.265 -14.494 1.00 35.84 O ATOM 1329 OE2 GLU B 80 13.301 29.607 -14.657 1.00 34.68 O ATOM 1330 HA GLU B 80 15.112 30.003 -12.025 1.00 0.00 H ATOM 1331 HB2 GLU B 80 13.030 31.935 -10.956 1.00 0.00 H ATOM 1332 HB3 GLU B 80 14.391 32.407 -11.999 1.00 0.00 H ATOM 1333 HG2 GLU B 80 12.102 30.546 -12.700 1.00 0.00 H ATOM 1334 HG3 GLU B 80 12.396 32.180 -13.340 1.00 0.00 H ATOM 1335 H GLU B 80 12.733 29.574 -10.335 1.00 0.00 H ATOM 1336 N LYS B 81 15.363 30.451 -8.907 1.00 29.06 N ATOM 1337 CA LYS B 81 16.261 30.870 -7.836 1.00 28.77 C ATOM 1338 C LYS B 81 17.307 29.815 -7.492 1.00 28.51 C ATOM 1339 O LYS B 81 18.311 30.117 -6.840 1.00 28.70 O ATOM 1340 CB LYS B 81 15.463 31.298 -6.598 1.00 29.03 C ATOM 1341 CG LYS B 81 14.539 32.507 -6.846 1.00 29.79 C ATOM 1342 CD LYS B 81 15.325 33.768 -7.225 1.00 31.38 C ATOM 1343 CE LYS B 81 14.473 35.029 -7.135 1.00 35.10 C ATOM 1344 NZ LYS B 81 13.389 35.086 -8.160 1.00 35.73 N ATOM 1345 HA LYS B 81 16.816 31.733 -8.204 1.00 0.00 H ATOM 1346 HB2 LYS B 81 14.850 30.456 -6.275 1.00 0.00 H ATOM 1347 HB3 LYS B 81 16.167 31.558 -5.807 1.00 0.00 H ATOM 1348 HG2 LYS B 81 13.852 32.264 -7.657 1.00 0.00 H ATOM 1349 HG3 LYS B 81 13.971 32.707 -5.938 1.00 0.00 H ATOM 1350 HD2 LYS B 81 16.174 33.869 -6.549 1.00 0.00 H ATOM 1351 HD3 LYS B 81 15.687 33.662 -8.247 1.00 0.00 H ATOM 1352 HE2 LYS B 81 15.121 35.895 -7.269 1.00 0.00 H ATOM 1353 HE3 LYS B 81 14.016 35.068 -6.146 1.00 0.00 H ATOM 1354 HZ1 LYS B 81 13.811 35.060 -9.110 1.00 0.00 H ATOM 1355 HZ2 LYS B 81 12.755 34.271 -8.038 1.00 0.00 H ATOM 1356 HZ3 LYS B 81 12.849 35.967 -8.043 1.00 0.00 H ATOM 1357 H LYS B 81 14.571 29.813 -8.691 1.00 0.00 H ATOM 1358 N ASP B 82 17.070 28.587 -7.949 1.00 27.72 N ATOM 1359 CA ASP B 82 17.988 27.465 -7.713 1.00 28.25 C ATOM 1360 C ASP B 82 19.422 27.820 -8.140 1.00 28.36 C ATOM 1361 O ASP B 82 19.660 28.253 -9.284 1.00 29.02 O ATOM 1362 CB ASP B 82 17.495 26.218 -8.467 1.00 27.97 C ATOM 1363 CG ASP B 82 18.583 25.179 -8.664 1.00 28.06 C ATOM 1364 OD1 ASP B 82 19.205 24.762 -7.667 1.00 28.51 O ATOM 1365 OD2 ASP B 82 18.824 24.788 -9.835 1.00 28.72 O ATOM 1366 HA ASP B 82 18.003 27.253 -6.644 1.00 0.00 H ATOM 1367 HB2 ASP B 82 16.681 25.767 -7.899 1.00 0.00 H ATOM 1368 HB3 ASP B 82 17.126 26.526 -9.445 1.00 0.00 H ATOM 1369 H ASP B 82 16.201 28.416 -8.494 1.00 0.00 H ATOM 1370 N VAL B 83 20.363 27.647 -7.219 1.00 27.92 N ATOM 1371 CA VAL B 83 21.775 27.913 -7.497 1.00 27.34 C ATOM 1372 C VAL B 83 22.528 26.672 -7.995 1.00 27.50 C ATOM 1373 O VAL B 83 23.626 26.790 -8.549 1.00 26.76 O ATOM 1374 CB VAL B 83 22.499 28.499 -6.246 1.00 27.26 C ATOM 1375 CG1 VAL B 83 21.864 29.818 -5.839 1.00 28.39 C ATOM 1376 CG2 VAL B 83 22.467 27.505 -5.080 1.00 27.68 C ATOM 1377 HA VAL B 83 21.787 28.651 -8.299 1.00 0.00 H ATOM 1378 HB VAL B 83 23.542 28.679 -6.508 1.00 0.00 H ATOM 1379 HG11 VAL B 83 21.944 30.528 -6.662 1.00 0.00 H ATOM 1380 HG12 VAL B 83 20.813 29.655 -5.599 1.00 0.00 H ATOM 1381 HG13 VAL B 83 22.381 30.214 -4.965 1.00 0.00 H ATOM 1382 HG21 VAL B 83 21.432 27.289 -4.817 1.00 0.00 H ATOM 1383 HG22 VAL B 83 22.968 26.583 -5.376 1.00 0.00 H ATOM 1384 HG23 VAL B 83 22.979 27.938 -4.221 1.00 0.00 H ATOM 1385 H VAL B 83 20.089 27.313 -6.273 1.00 0.00 H ATOM 1386 N PHE B 84 21.942 25.489 -7.796 1.00 26.95 N ATOM 1387 CA PHE B 84 22.662 24.237 -8.071 1.00 27.02 C ATOM 1388 C PHE B 84 22.753 23.889 -9.551 1.00 26.78 C ATOM 1389 O PHE B 84 23.846 23.553 -10.027 1.00 27.36 O ATOM 1390 CB PHE B 84 22.101 23.060 -7.264 1.00 27.27 C ATOM 1391 CG PHE B 84 22.518 23.067 -5.813 1.00 26.74 C ATOM 1392 CD1 PHE B 84 23.815 22.673 -5.437 1.00 28.31 C ATOM 1393 CD2 PHE B 84 21.619 23.449 -4.819 1.00 29.43 C ATOM 1394 CE1 PHE B 84 24.214 22.658 -4.077 1.00 27.87 C ATOM 1395 CE2 PHE B 84 22.004 23.449 -3.457 1.00 29.32 C ATOM 1396 CZ PHE B 84 23.308 23.031 -3.085 1.00 28.88 C ATOM 1397 HA PHE B 84 23.684 24.422 -7.739 1.00 0.00 H ATOM 1398 HB2 PHE B 84 21.013 23.098 -7.310 1.00 0.00 H ATOM 1399 HB3 PHE B 84 22.450 22.133 -7.719 1.00 0.00 H ATOM 1400 HD2 PHE B 84 20.608 23.751 -5.093 1.00 0.00 H ATOM 1401 HE2 PHE B 84 21.297 23.771 -2.692 1.00 0.00 H ATOM 1402 HZ PHE B 84 23.598 23.002 -2.035 1.00 0.00 H ATOM 1403 HE1 PHE B 84 25.226 22.356 -3.807 1.00 0.00 H ATOM 1404 HD1 PHE B 84 24.527 22.374 -6.206 1.00 0.00 H ATOM 1405 H PHE B 84 20.965 25.453 -7.442 1.00 0.00 H ATOM 1406 N ALA B 85 21.638 23.942 -10.285 1.00 27.14 N ATOM 1407 CA ALA B 85 21.704 23.549 -11.709 1.00 27.44 C ATOM 1408 C ALA B 85 22.688 24.461 -12.456 1.00 28.09 C ATOM 1409 O ALA B 85 23.573 23.962 -13.185 1.00 27.89 O ATOM 1410 CB ALA B 85 20.314 23.561 -12.381 1.00 28.11 C ATOM 1411 HA ALA B 85 22.064 22.521 -11.758 1.00 0.00 H ATOM 1412 HB1 ALA B 85 19.657 22.861 -11.866 1.00 0.00 H ATOM 1413 HB2 ALA B 85 19.893 24.565 -12.325 1.00 0.00 H ATOM 1414 HB3 ALA B 85 20.414 23.266 -13.425 1.00 0.00 H ATOM 1415 H ALA B 85 20.740 24.254 -9.863 1.00 0.00 H ATOM 1416 N PRO B 86 22.567 25.796 -12.264 1.00 28.00 N ATOM 1417 CA PRO B 86 23.536 26.655 -12.924 1.00 28.04 C ATOM 1418 C PRO B 86 24.972 26.311 -12.563 1.00 28.24 C ATOM 1419 O PRO B 86 25.828 26.314 -13.449 1.00 29.29 O ATOM 1420 CB PRO B 86 23.179 28.054 -12.409 1.00 27.86 C ATOM 1421 CG PRO B 86 21.749 27.968 -12.089 1.00 28.95 C ATOM 1422 CD PRO B 86 21.567 26.593 -11.519 1.00 28.29 C ATOM 1423 HA PRO B 86 23.488 26.554 -14.008 1.00 0.00 H ATOM 1424 HD3 PRO B 86 21.773 26.581 -10.449 1.00 0.00 H ATOM 1425 HD2 PRO B 86 20.557 26.224 -11.698 1.00 0.00 H ATOM 1426 HG3 PRO B 86 21.146 28.095 -12.988 1.00 0.00 H ATOM 1427 HG2 PRO B 86 21.472 28.727 -11.357 1.00 0.00 H ATOM 1428 HB2 PRO B 86 23.760 28.299 -11.520 1.00 0.00 H ATOM 1429 HB3 PRO B 86 23.359 28.806 -13.177 1.00 0.00 H ATOM 1430 N ARG B 87 25.243 26.038 -11.281 1.00 28.22 N ATOM 1431 CA ARG B 87 26.604 25.704 -10.862 1.00 27.44 C ATOM 1432 C ARG B 87 27.093 24.351 -11.416 1.00 27.35 C ATOM 1433 O ARG B 87 28.231 24.257 -11.897 1.00 27.53 O ATOM 1434 CB ARG B 87 26.750 25.753 -9.332 1.00 27.72 C ATOM 1435 CG ARG B 87 28.182 25.577 -8.852 1.00 26.96 C ATOM 1436 CD ARG B 87 29.096 26.694 -9.340 1.00 27.86 C ATOM 1437 NE ARG B 87 30.437 26.535 -8.791 1.00 28.82 N ATOM 1438 CZ ARG B 87 31.379 27.469 -8.813 1.00 28.76 C ATOM 1439 NH1 ARG B 87 31.134 28.670 -9.339 1.00 30.97 N ATOM 1440 NH2 ARG B 87 32.570 27.211 -8.289 1.00 31.52 N ATOM 1441 HA ARG B 87 27.247 26.470 -11.295 1.00 0.00 H ATOM 1442 HB2 ARG B 87 26.385 26.718 -8.981 1.00 0.00 H ATOM 1443 HB3 ARG B 87 26.142 24.958 -8.902 1.00 0.00 H ATOM 1444 HG2 ARG B 87 28.188 25.569 -7.762 1.00 0.00 H ATOM 1445 HG3 ARG B 87 28.562 24.625 -9.223 1.00 0.00 H ATOM 1446 HD2 ARG B 87 28.690 27.654 -9.022 1.00 0.00 H ATOM 1447 HD3 ARG B 87 29.148 26.665 -10.428 1.00 0.00 H ATOM 1448 HE ARG B 87 30.672 25.623 -8.350 1.00 0.00 H ATOM 1449 HH12 ARG B 87 31.880 29.395 -9.351 1.00 0.00 H ATOM 1450 HH11 ARG B 87 30.197 28.882 -9.737 1.00 0.00 H ATOM 1451 HH22 ARG B 87 33.313 27.939 -8.303 1.00 0.00 H ATOM 1452 HH21 ARG B 87 32.761 26.281 -7.864 1.00 0.00 H ATOM 1453 H ARG B 87 24.479 26.064 -10.576 1.00 0.00 H ATOM 1454 N PHE B 88 26.237 23.325 -11.369 1.00 27.26 N ATOM 1455 CA PHE B 88 26.585 22.028 -11.953 1.00 27.19 C ATOM 1456 C PHE B 88 26.830 22.126 -13.461 1.00 27.83 C ATOM 1457 O PHE B 88 27.599 21.332 -14.024 1.00 28.50 O ATOM 1458 CB PHE B 88 25.477 20.986 -11.695 1.00 27.37 C ATOM 1459 CG PHE B 88 25.580 20.312 -10.343 1.00 26.53 C ATOM 1460 CD1 PHE B 88 26.679 19.501 -10.031 1.00 29.12 C ATOM 1461 CD2 PHE B 88 24.556 20.442 -9.416 1.00 27.15 C ATOM 1462 CE1 PHE B 88 26.782 18.874 -8.779 1.00 28.67 C ATOM 1463 CE2 PHE B 88 24.651 19.812 -8.152 1.00 25.90 C ATOM 1464 CZ PHE B 88 25.739 19.024 -7.849 1.00 27.59 C ATOM 1465 HA PHE B 88 27.508 21.710 -11.467 1.00 0.00 H ATOM 1466 HB2 PHE B 88 24.511 21.487 -11.758 1.00 0.00 H ATOM 1467 HB3 PHE B 88 25.538 20.220 -12.468 1.00 0.00 H ATOM 1468 HD2 PHE B 88 23.674 21.032 -9.662 1.00 0.00 H ATOM 1469 HE2 PHE B 88 23.860 19.951 -7.415 1.00 0.00 H ATOM 1470 HZ PHE B 88 25.791 18.516 -6.886 1.00 0.00 H ATOM 1471 HE1 PHE B 88 27.660 18.278 -8.531 1.00 0.00 H ATOM 1472 HD1 PHE B 88 27.466 19.355 -10.771 1.00 0.00 H ATOM 1473 H PHE B 88 25.311 23.450 -10.911 1.00 0.00 H ATOM 1474 N SER B 89 26.160 23.081 -14.105 1.00 27.72 N ATOM 1475 CA SER B 89 26.275 23.268 -15.552 1.00 28.09 C ATOM 1476 C SER B 89 27.695 23.609 -15.989 1.00 27.83 C ATOM 1477 O SER B 89 28.105 23.247 -17.089 1.00 27.99 O ATOM 1478 CB SER B 89 25.310 24.356 -16.040 1.00 27.96 C ATOM 1479 OG SER B 89 25.787 25.649 -15.708 1.00 29.15 O ATOM 1480 HA SER B 89 26.010 22.314 -16.007 1.00 0.00 H ATOM 1481 HB2 SER B 89 24.337 24.205 -15.573 1.00 0.00 H ATOM 1482 HB3 SER B 89 25.207 24.281 -17.123 1.00 0.00 H ATOM 1483 HG SER B 89 25.878 25.724 -14.725 1.00 0.00 H ATOM 1484 H SER B 89 25.536 23.713 -13.563 1.00 0.00 H ATOM 1485 N ASN B 90 28.438 24.309 -15.121 1.00 27.75 N ATOM 1486 CA ASN B 90 29.780 24.823 -15.458 1.00 28.57 C ATOM 1487 C ASN B 90 30.742 23.743 -15.987 1.00 28.56 C ATOM 1488 O ASN B 90 31.304 23.873 -17.091 1.00 27.65 O ATOM 1489 CB ASN B 90 30.398 25.557 -14.257 1.00 28.56 C ATOM 1490 CG ASN B 90 29.645 26.841 -13.887 1.00 30.75 C ATOM 1491 OD1 ASN B 90 28.692 27.245 -14.562 1.00 30.50 O ATOM 1492 ND2 ASN B 90 30.100 27.503 -12.819 1.00 30.65 N ATOM 1493 HA ASN B 90 29.635 25.527 -16.278 1.00 0.00 H ATOM 1494 HB2 ASN B 90 30.387 24.887 -13.397 1.00 0.00 H ATOM 1495 HB3 ASN B 90 31.428 25.816 -14.501 1.00 0.00 H ATOM 1496 HD22 ASN B 90 30.905 27.127 -12.279 1.00 0.00 H ATOM 1497 HD21 ASN B 90 29.649 28.394 -12.528 1.00 0.00 H ATOM 1498 H ASN B 90 28.054 24.497 -14.173 1.00 0.00 H ATOM 1499 N ASN B 91 30.910 22.679 -15.201 1.00 28.17 N ATOM 1500 CA ASN B 91 31.805 21.576 -15.566 1.00 28.50 C ATOM 1501 C ASN B 91 31.070 20.347 -16.067 1.00 28.44 C ATOM 1502 O ASN B 91 31.590 19.242 -15.974 1.00 27.80 O ATOM 1503 CB ASN B 91 32.652 21.156 -14.360 1.00 29.64 C ATOM 1504 CG ASN B 91 33.558 22.267 -13.866 1.00 30.05 C ATOM 1505 OD1 ASN B 91 34.079 23.072 -14.648 1.00 29.55 O ATOM 1506 ND2 ASN B 91 33.776 22.300 -12.554 1.00 33.37 N ATOM 1507 HA ASN B 91 32.427 21.957 -16.376 1.00 0.00 H ATOM 1508 HB2 ASN B 91 31.984 20.864 -13.549 1.00 0.00 H ATOM 1509 HB3 ASN B 91 33.269 20.304 -14.646 1.00 0.00 H ATOM 1510 HD22 ASN B 91 33.317 21.603 -11.933 1.00 0.00 H ATOM 1511 HD21 ASN B 91 34.405 23.022 -12.149 1.00 0.00 H ATOM 1512 H ASN B 91 30.390 22.630 -14.301 1.00 0.00 H ATOM 1513 N ILE B 92 29.854 20.522 -16.583 1.00 27.32 N ATOM 1514 CA ILE B 92 29.016 19.360 -16.855 1.00 27.56 C ATOM 1515 C ILE B 92 29.586 18.413 -17.936 1.00 26.25 C ATOM 1516 O ILE B 92 29.371 17.200 -17.869 1.00 26.00 O ATOM 1517 CB ILE B 92 27.552 19.783 -17.162 1.00 27.71 C ATOM 1518 CG1 ILE B 92 26.563 18.637 -16.850 1.00 29.15 C ATOM 1519 CG2 ILE B 92 27.444 20.377 -18.582 1.00 28.55 C ATOM 1520 CD1 ILE B 92 25.122 19.101 -16.783 1.00 30.07 C ATOM 1521 HA ILE B 92 29.014 18.771 -15.938 1.00 0.00 H ATOM 1522 HB ILE B 92 27.254 20.590 -16.493 1.00 0.00 H ATOM 1523 HG12 ILE B 92 26.649 17.881 -17.631 1.00 0.00 H ATOM 1524 HG13 ILE B 92 26.832 18.198 -15.889 1.00 0.00 H ATOM 1525 HD11 ILE B 92 25.019 19.851 -15.999 1.00 0.00 H ATOM 1526 HD12 ILE B 92 24.836 19.534 -17.741 1.00 0.00 H ATOM 1527 HD13 ILE B 92 24.478 18.250 -16.561 1.00 0.00 H ATOM 1528 HG21 ILE B 92 28.088 21.253 -18.658 1.00 0.00 H ATOM 1529 HG22 ILE B 92 27.757 19.630 -19.312 1.00 0.00 H ATOM 1530 HG23 ILE B 92 26.411 20.666 -18.776 1.00 0.00 H ATOM 1531 H ILE B 92 29.505 21.480 -16.790 1.00 0.00 H ATOM 1532 N ILE B 93 30.300 18.958 -18.920 1.00 26.83 N ATOM 1533 CA ILE B 93 30.934 18.093 -19.938 1.00 25.95 C ATOM 1534 C ILE B 93 31.945 17.145 -19.260 1.00 26.29 C ATOM 1535 O ILE B 93 31.940 15.932 -19.515 1.00 26.92 O ATOM 1536 CB ILE B 93 31.594 18.926 -21.043 1.00 26.86 C ATOM 1537 CG1 ILE B 93 30.533 19.729 -21.815 1.00 26.95 C ATOM 1538 CG2 ILE B 93 32.401 18.034 -21.995 1.00 25.81 C ATOM 1539 CD1 ILE B 93 29.654 18.899 -22.760 1.00 27.56 C ATOM 1540 HA ILE B 93 30.162 17.490 -20.416 1.00 0.00 H ATOM 1541 HB ILE B 93 32.285 19.627 -20.576 1.00 0.00 H ATOM 1542 HG12 ILE B 93 29.883 20.217 -21.089 1.00 0.00 H ATOM 1543 HG13 ILE B 93 31.046 20.486 -22.408 1.00 0.00 H ATOM 1544 HD11 ILE B 93 30.283 18.413 -23.506 1.00 0.00 H ATOM 1545 HD12 ILE B 93 29.118 18.143 -22.186 1.00 0.00 H ATOM 1546 HD13 ILE B 93 28.939 19.554 -23.257 1.00 0.00 H ATOM 1547 HG21 ILE B 93 33.179 17.517 -21.434 1.00 0.00 H ATOM 1548 HG22 ILE B 93 31.737 17.303 -22.456 1.00 0.00 H ATOM 1549 HG23 ILE B 93 32.858 18.651 -22.769 1.00 0.00 H ATOM 1550 H ILE B 93 30.411 19.991 -18.972 1.00 0.00 H ATOM 1551 N SER B 94 32.798 17.715 -18.400 1.00 25.78 N ATOM 1552 CA SER B 94 33.752 16.963 -17.584 1.00 26.08 C ATOM 1553 C SER B 94 33.032 15.878 -16.772 1.00 26.23 C ATOM 1554 O SER B 94 33.459 14.700 -16.711 1.00 26.12 O ATOM 1555 CB SER B 94 34.448 17.942 -16.626 1.00 25.96 C ATOM 1556 OG SER B 94 35.389 17.302 -15.790 1.00 27.14 O ATOM 1557 HA SER B 94 34.481 16.478 -18.233 1.00 0.00 H ATOM 1558 HB2 SER B 94 33.692 18.418 -16.002 1.00 0.00 H ATOM 1559 HB3 SER B 94 34.962 18.702 -17.215 1.00 0.00 H ATOM 1560 HG SER B 94 35.809 17.972 -15.194 1.00 0.00 H ATOM 1561 H SER B 94 32.782 18.751 -18.307 1.00 0.00 H ATOM 1562 N THR B 95 31.955 16.299 -16.123 1.00 26.42 N ATOM 1563 CA THR B 95 31.204 15.414 -15.241 1.00 27.13 C ATOM 1564 C THR B 95 30.706 14.215 -16.029 1.00 26.99 C ATOM 1565 O THR B 95 30.835 13.083 -15.581 1.00 26.78 O ATOM 1566 CB THR B 95 30.037 16.164 -14.588 1.00 27.92 C ATOM 1567 OG1 THR B 95 30.556 17.281 -13.875 1.00 27.61 O ATOM 1568 CG2 THR B 95 29.290 15.258 -13.622 1.00 28.82 C ATOM 1569 HA THR B 95 31.860 15.064 -14.444 1.00 0.00 H ATOM 1570 HB THR B 95 29.344 16.492 -15.363 1.00 0.00 H ATOM 1571 HG1 THR B 95 29.811 17.774 -13.448 1.00 0.00 H ATOM 1572 HG23 THR B 95 28.891 14.401 -14.165 1.00 0.00 H ATOM 1573 HG21 THR B 95 29.974 14.912 -12.847 1.00 0.00 H ATOM 1574 HG22 THR B 95 28.471 15.813 -13.164 1.00 0.00 H ATOM 1575 H THR B 95 31.639 17.282 -16.246 1.00 0.00 H ATOM 1576 N PHE B 96 30.152 14.467 -17.215 1.00 26.15 N ATOM 1577 CA PHE B 96 29.598 13.381 -18.003 1.00 26.74 C ATOM 1578 C PHE B 96 30.641 12.476 -18.667 1.00 26.73 C ATOM 1579 O PHE B 96 30.436 11.267 -18.779 1.00 27.47 O ATOM 1580 CB PHE B 96 28.521 13.881 -18.958 1.00 27.24 C ATOM 1581 CG PHE B 96 27.184 13.994 -18.300 1.00 26.58 C ATOM 1582 CD1 PHE B 96 26.925 15.041 -17.405 1.00 26.13 C ATOM 1583 CD2 PHE B 96 26.191 13.028 -18.511 1.00 28.57 C ATOM 1584 CE1 PHE B 96 25.667 15.130 -16.758 1.00 26.83 C ATOM 1585 CE2 PHE B 96 24.944 13.115 -17.876 1.00 28.47 C ATOM 1586 CZ PHE B 96 24.689 14.174 -16.991 1.00 28.54 C ATOM 1587 HA PHE B 96 29.110 12.714 -17.293 1.00 0.00 H ATOM 1588 HB2 PHE B 96 28.812 14.863 -19.331 1.00 0.00 H ATOM 1589 HB3 PHE B 96 28.443 13.185 -19.793 1.00 0.00 H ATOM 1590 HD2 PHE B 96 26.392 12.193 -19.182 1.00 0.00 H ATOM 1591 HE2 PHE B 96 24.177 12.365 -18.069 1.00 0.00 H ATOM 1592 HZ PHE B 96 23.725 14.245 -16.488 1.00 0.00 H ATOM 1593 HE1 PHE B 96 25.467 15.954 -16.073 1.00 0.00 H ATOM 1594 HD1 PHE B 96 27.693 15.789 -17.206 1.00 0.00 H ATOM 1595 H PHE B 96 30.117 15.442 -17.576 1.00 0.00 H ATOM 1596 N GLN B 97 31.754 13.062 -19.074 1.00 27.53 N ATOM 1597 CA GLN B 97 32.918 12.269 -19.469 1.00 28.11 C ATOM 1598 C GLN B 97 33.234 11.235 -18.381 1.00 28.09 C ATOM 1599 O GLN B 97 33.451 10.066 -18.702 1.00 29.24 O ATOM 1600 CB GLN B 97 34.127 13.161 -19.712 1.00 28.59 C ATOM 1601 CG GLN B 97 34.044 13.971 -21.002 1.00 29.27 C ATOM 1602 CD GLN B 97 35.213 14.934 -21.156 1.00 28.74 C ATOM 1603 OE1 GLN B 97 36.110 14.991 -20.299 1.00 31.78 O ATOM 1604 NE2 GLN B 97 35.218 15.691 -22.250 1.00 27.08 N ATOM 1605 HA GLN B 97 32.685 11.753 -20.401 1.00 0.00 H ATOM 1606 HB2 GLN B 97 34.217 13.854 -18.876 1.00 0.00 H ATOM 1607 HB3 GLN B 97 35.016 12.531 -19.758 1.00 0.00 H ATOM 1608 HG2 GLN B 97 34.042 13.284 -21.848 1.00 0.00 H ATOM 1609 HG3 GLN B 97 33.116 14.543 -20.998 1.00 0.00 H ATOM 1610 HE22 GLN B 97 34.446 15.610 -22.942 1.00 0.00 H ATOM 1611 HE21 GLN B 97 35.994 16.364 -22.413 1.00 0.00 H ATOM 1612 H GLN B 97 31.803 14.100 -19.114 1.00 0.00 H ATOM 1613 N ASN B 98 33.240 11.663 -17.112 1.00 27.54 N ATOM 1614 CA ASN B 98 33.483 10.751 -15.972 1.00 27.44 C ATOM 1615 C ASN B 98 32.337 9.770 -15.737 1.00 27.69 C ATOM 1616 O ASN B 98 32.565 8.579 -15.471 1.00 27.67 O ATOM 1617 CB ASN B 98 33.799 11.530 -14.678 1.00 27.82 C ATOM 1618 CG ASN B 98 35.096 12.339 -14.781 1.00 28.93 C ATOM 1619 OD1 ASN B 98 35.996 12.004 -15.557 1.00 32.54 O ATOM 1620 ND2 ASN B 98 35.204 13.390 -13.975 1.00 30.48 N ATOM 1621 HA ASN B 98 34.358 10.161 -16.246 1.00 0.00 H ATOM 1622 HB2 ASN B 98 32.976 12.214 -14.472 1.00 0.00 H ATOM 1623 HB3 ASN B 98 33.894 10.820 -13.857 1.00 0.00 H ATOM 1624 HD22 ASN B 98 34.422 13.638 -13.336 1.00 0.00 H ATOM 1625 HD21 ASN B 98 36.071 13.965 -13.983 1.00 0.00 H ATOM 1626 H ASN B 98 33.068 12.671 -16.921 1.00 0.00 H ATOM 1627 N LEU B 99 31.108 10.263 -15.859 1.00 27.11 N ATOM 1628 CA LEU B 99 29.921 9.414 -15.690 1.00 27.57 C ATOM 1629 C LEU B 99 29.885 8.247 -16.667 1.00 28.21 C ATOM 1630 O LEU B 99 29.482 7.143 -16.289 1.00 27.78 O ATOM 1631 CB LEU B 99 28.637 10.222 -15.832 1.00 27.94 C ATOM 1632 CG LEU B 99 28.317 11.081 -14.618 1.00 26.31 C ATOM 1633 CD1 LEU B 99 27.102 11.949 -14.953 1.00 30.48 C ATOM 1634 CD2 LEU B 99 28.055 10.193 -13.378 1.00 27.36 C ATOM 1635 HA LEU B 99 29.990 9.008 -14.681 1.00 0.00 H ATOM 1636 HB2 LEU B 99 28.735 10.875 -16.699 1.00 0.00 H ATOM 1637 HB3 LEU B 99 27.810 9.530 -15.991 1.00 0.00 H ATOM 1638 HG LEU B 99 29.164 11.723 -14.376 1.00 0.00 H ATOM 1639 HD21 LEU B 99 27.211 9.533 -13.577 1.00 0.00 H ATOM 1640 HD22 LEU B 99 28.942 9.596 -13.166 1.00 0.00 H ATOM 1641 HD23 LEU B 99 27.828 10.826 -12.520 1.00 0.00 H ATOM 1642 HD11 LEU B 99 27.334 12.582 -15.810 1.00 0.00 H ATOM 1643 HD12 LEU B 99 26.254 11.308 -15.193 1.00 0.00 H ATOM 1644 HD13 LEU B 99 26.855 12.574 -14.094 1.00 0.00 H ATOM 1645 H LEU B 99 30.984 11.272 -16.079 1.00 0.00 H ATOM 1646 N TYR B 100 30.325 8.492 -17.902 1.00 28.68 N ATOM 1647 CA TYR B 100 30.239 7.484 -18.964 1.00 29.77 C ATOM 1648 C TYR B 100 31.328 6.413 -18.835 1.00 30.25 C ATOM 1649 O TYR B 100 31.428 5.517 -19.680 1.00 30.32 O ATOM 1650 CB TYR B 100 30.264 8.137 -20.355 1.00 29.71 C ATOM 1651 CG TYR B 100 28.945 8.800 -20.742 1.00 30.18 C ATOM 1652 CD1 TYR B 100 27.725 8.097 -20.668 1.00 30.04 C ATOM 1653 CD2 TYR B 100 28.917 10.106 -21.198 1.00 29.72 C ATOM 1654 CE1 TYR B 100 26.523 8.705 -21.028 1.00 30.30 C ATOM 1655 CE2 TYR B 100 27.717 10.726 -21.552 1.00 30.06 C ATOM 1656 CZ TYR B 100 26.529 10.026 -21.465 1.00 30.41 C ATOM 1657 OH TYR B 100 25.347 10.649 -21.811 1.00 30.43 O ATOM 1658 HA TYR B 100 29.280 6.979 -18.846 1.00 0.00 H ATOM 1659 HB3 TYR B 100 30.493 7.368 -21.093 1.00 0.00 H ATOM 1660 HB2 TYR B 100 31.047 8.895 -20.366 1.00 0.00 H ATOM 1661 HD2 TYR B 100 29.851 10.662 -21.283 1.00 0.00 H ATOM 1662 HE2 TYR B 100 27.717 11.760 -21.896 1.00 0.00 H ATOM 1663 HE1 TYR B 100 25.587 8.150 -20.968 1.00 0.00 H ATOM 1664 HD1 TYR B 100 27.721 7.063 -20.324 1.00 0.00 H ATOM 1665 HH TYR B 100 25.392 10.938 -22.757 1.00 0.00 H ATOM 1666 H TYR B 100 30.740 9.421 -18.117 1.00 0.00 H ATOM 1667 N ARG B 101 32.119 6.504 -17.765 1.00 30.78 N ATOM 1668 CA ARG B 101 33.045 5.440 -17.379 1.00 32.44 C ATOM 1669 C ARG B 101 32.349 4.403 -16.479 1.00 32.58 C ATOM 1670 O ARG B 101 32.995 3.629 -15.768 1.00 34.19 O ATOM 1671 CB ARG B 101 34.284 6.024 -16.704 1.00 32.65 C ATOM 1672 CG ARG B 101 35.108 6.912 -17.622 1.00 35.99 C ATOM 1673 CD ARG B 101 36.539 7.042 -17.138 1.00 42.14 C ATOM 1674 NE ARG B 101 37.446 7.380 -18.236 1.00 45.37 N ATOM 1675 CZ ARG B 101 37.980 6.500 -19.083 1.00 47.92 C ATOM 1676 NH1 ARG B 101 37.701 5.202 -18.983 1.00 49.47 N ATOM 1677 NH2 ARG B 101 38.795 6.918 -20.045 1.00 48.72 N ATOM 1678 HA ARG B 101 33.369 4.923 -18.282 1.00 0.00 H ATOM 1679 HB2 ARG B 101 33.964 6.615 -15.846 1.00 0.00 H ATOM 1680 HB3 ARG B 101 34.912 5.201 -16.363 1.00 0.00 H ATOM 1681 HG2 ARG B 101 35.111 6.480 -18.623 1.00 0.00 H ATOM 1682 HG3 ARG B 101 34.655 7.903 -17.656 1.00 0.00 H ATOM 1683 HD2 ARG B 101 36.852 6.095 -16.698 1.00 0.00 H ATOM 1684 HD3 ARG B 101 36.588 7.826 -16.383 1.00 0.00 H ATOM 1685 HE ARG B 101 37.692 8.382 -18.365 1.00 0.00 H ATOM 1686 HH12 ARG B 101 38.125 4.526 -19.650 1.00 0.00 H ATOM 1687 HH11 ARG B 101 37.060 4.864 -18.237 1.00 0.00 H ATOM 1688 HH22 ARG B 101 39.213 6.233 -20.707 1.00 0.00 H ATOM 1689 HH21 ARG B 101 39.015 7.930 -20.136 1.00 0.00 H ATOM 1690 H ARG B 101 32.076 7.365 -17.183 1.00 0.00 H ATOM 1691 N CYS B 102 31.022 4.391 -16.538 1.00 32.48 N ATOM 1692 CA CYS B 102 30.194 3.431 -15.823 1.00 31.77 C ATOM 1693 C CYS B 102 30.181 2.088 -16.547 1.00 31.66 C ATOM 1694 O CYS B 102 30.595 2.011 -17.709 1.00 31.07 O ATOM 1695 CB CYS B 102 28.775 3.970 -15.742 1.00 31.20 C ATOM 1696 SG CYS B 102 28.057 4.203 -17.397 1.00 31.74 S ATOM 1697 HA CYS B 102 30.603 3.284 -14.823 1.00 0.00 H ATOM 1698 HB2 CYS B 102 28.789 4.928 -15.223 1.00 0.00 H ATOM 1699 HB3 CYS B 102 28.159 3.265 -15.184 1.00 0.00 H ATOM 1700 HG CYS B 102 28.029 2.993 -18.059 1.00 0.00 H ATOM 1701 H CYS B 102 30.549 5.106 -17.127 1.00 0.00 H ATOM 1702 N PRO B 103 29.691 1.021 -15.873 1.00 31.59 N ATOM 1703 CA PRO B 103 29.524 -0.257 -16.568 1.00 31.95 C ATOM 1704 C PRO B 103 28.574 -0.094 -17.751 1.00 32.12 C ATOM 1705 O PRO B 103 27.682 0.771 -17.725 1.00 31.37 O ATOM 1706 CB PRO B 103 28.906 -1.171 -15.499 1.00 32.01 C ATOM 1707 CG PRO B 103 29.289 -0.543 -14.187 1.00 31.95 C ATOM 1708 CD PRO B 103 29.276 0.937 -14.459 1.00 31.09 C ATOM 1709 HA PRO B 103 30.456 -0.651 -16.973 1.00 0.00 H ATOM 1710 HD3 PRO B 103 28.278 1.352 -14.318 1.00 0.00 H ATOM 1711 HD2 PRO B 103 29.980 1.460 -13.812 1.00 0.00 H ATOM 1712 HG3 PRO B 103 30.282 -0.870 -13.879 1.00 0.00 H ATOM 1713 HG2 PRO B 103 28.567 -0.799 -13.412 1.00 0.00 H ATOM 1714 HB2 PRO B 103 27.822 -1.208 -15.605 1.00 0.00 H ATOM 1715 HB3 PRO B 103 29.312 -2.180 -15.575 1.00 0.00 H ATOM 1716 N GLY B 104 28.774 -0.913 -18.779 1.00 32.50 N ATOM 1717 CA GLY B 104 27.993 -0.813 -20.010 1.00 33.11 C ATOM 1718 C GLY B 104 26.487 -0.712 -19.822 1.00 33.74 C ATOM 1719 O GLY B 104 25.833 0.093 -20.499 1.00 33.74 O ATOM 1720 HA3 GLY B 104 28.198 -1.699 -20.611 1.00 0.00 H ATOM 1721 HA2 GLY B 104 28.325 0.075 -20.548 1.00 0.00 H ATOM 1722 H GLY B 104 29.508 -1.646 -18.705 1.00 0.00 H ATOM 1723 N ASP B 105 25.936 -1.527 -18.917 1.00 33.79 N ATOM 1724 CA ASP B 105 24.478 -1.578 -18.699 1.00 34.40 C ATOM 1725 C ASP B 105 23.925 -0.369 -17.938 1.00 33.98 C ATOM 1726 O ASP B 105 22.700 -0.191 -17.848 1.00 34.24 O ATOM 1727 CB ASP B 105 24.035 -2.891 -18.032 1.00 35.20 C ATOM 1728 CG ASP B 105 24.922 -3.308 -16.860 1.00 37.31 C ATOM 1729 OD1 ASP B 105 25.408 -2.437 -16.111 1.00 40.46 O ATOM 1730 OD2 ASP B 105 25.113 -4.535 -16.678 1.00 40.54 O ATOM 1731 HA ASP B 105 24.045 -1.540 -19.698 1.00 0.00 H ATOM 1732 HB2 ASP B 105 23.016 -2.766 -17.666 1.00 0.00 H ATOM 1733 HB3 ASP B 105 24.057 -3.683 -18.780 1.00 0.00 H ATOM 1734 H ASP B 105 26.553 -2.143 -18.350 1.00 0.00 H ATOM 1735 N ASP B 106 24.823 0.455 -17.398 1.00 32.38 N ATOM 1736 CA ASP B 106 24.426 1.675 -16.716 1.00 31.47 C ATOM 1737 C ASP B 106 24.299 2.875 -17.662 1.00 29.84 C ATOM 1738 O ASP B 106 23.725 3.881 -17.285 1.00 29.82 O ATOM 1739 CB ASP B 106 25.386 2.004 -15.564 1.00 31.93 C ATOM 1740 CG ASP B 106 25.099 1.203 -14.297 1.00 33.42 C ATOM 1741 OD1 ASP B 106 24.240 0.294 -14.316 1.00 34.86 O ATOM 1742 OD2 ASP B 106 25.751 1.475 -13.263 1.00 35.54 O ATOM 1743 HA ASP B 106 23.434 1.484 -16.307 1.00 0.00 H ATOM 1744 HB2 ASP B 106 26.404 1.788 -15.888 1.00 0.00 H ATOM 1745 HB3 ASP B 106 25.298 3.065 -15.331 1.00 0.00 H ATOM 1746 H ASP B 106 25.833 0.219 -17.467 1.00 0.00 H ATOM 1747 N LYS B 107 24.828 2.779 -18.879 1.00 29.18 N ATOM 1748 CA LYS B 107 24.709 3.884 -19.854 1.00 28.98 C ATOM 1749 C LYS B 107 23.248 4.311 -20.084 1.00 27.33 C ATOM 1750 O LYS B 107 22.950 5.500 -20.155 1.00 26.84 O ATOM 1751 CB LYS B 107 25.346 3.525 -21.189 1.00 28.95 C ATOM 1752 CG LYS B 107 26.879 3.542 -21.210 1.00 31.88 C ATOM 1753 CD LYS B 107 27.397 3.207 -22.612 1.00 31.51 C ATOM 1754 CE LYS B 107 27.221 1.718 -22.948 1.00 35.99 C ATOM 1755 NZ LYS B 107 27.792 1.308 -24.260 1.00 39.55 N ATOM 1756 HA LYS B 107 25.246 4.726 -19.416 1.00 0.00 H ATOM 1757 HB2 LYS B 107 25.016 2.522 -21.461 1.00 0.00 H ATOM 1758 HB3 LYS B 107 24.991 4.237 -21.934 1.00 0.00 H ATOM 1759 HG2 LYS B 107 27.232 4.533 -20.924 1.00 0.00 H ATOM 1760 HG3 LYS B 107 27.257 2.805 -20.502 1.00 0.00 H ATOM 1761 HD2 LYS B 107 26.847 3.801 -23.342 1.00 0.00 H ATOM 1762 HD3 LYS B 107 28.456 3.458 -22.666 1.00 0.00 H ATOM 1763 HE2 LYS B 107 26.154 1.495 -22.956 1.00 0.00 H ATOM 1764 HE3 LYS B 107 27.707 1.133 -22.167 1.00 0.00 H ATOM 1765 HZ1 LYS B 107 27.331 1.846 -25.021 1.00 0.00 H ATOM 1766 HZ2 LYS B 107 28.814 1.501 -24.267 1.00 0.00 H ATOM 1767 HZ3 LYS B 107 27.629 0.291 -24.405 1.00 0.00 H ATOM 1768 H LYS B 107 25.334 1.912 -19.149 1.00 0.00 H ATOM 1769 N SER B 108 22.339 3.345 -20.191 1.00 26.27 N ATOM 1770 CA SER B 108 20.930 3.672 -20.417 1.00 26.07 C ATOM 1771 C SER B 108 20.339 4.480 -19.251 1.00 26.52 C ATOM 1772 O SER B 108 19.395 5.260 -19.433 1.00 26.25 O ATOM 1773 CB SER B 108 20.112 2.403 -20.639 1.00 26.83 C ATOM 1774 OG SER B 108 20.113 1.611 -19.470 1.00 28.28 O ATOM 1775 HA SER B 108 20.881 4.290 -21.314 1.00 0.00 H ATOM 1776 HB2 SER B 108 20.546 1.833 -21.460 1.00 0.00 H ATOM 1777 HB3 SER B 108 19.086 2.675 -20.889 1.00 0.00 H ATOM 1778 HG SER B 108 19.580 0.792 -19.627 1.00 0.00 H ATOM 1779 H SER B 108 22.632 2.350 -20.113 1.00 0.00 H ATOM 1780 N LYS B 109 20.876 4.276 -18.050 1.00 25.87 N ATOM 1781 CA LYS B 109 20.357 4.981 -16.873 1.00 26.62 C ATOM 1782 C LYS B 109 20.725 6.466 -16.911 1.00 26.60 C ATOM 1783 O LYS B 109 19.944 7.319 -16.469 1.00 27.14 O ATOM 1784 CB LYS B 109 20.868 4.325 -15.592 1.00 26.80 C ATOM 1785 CG LYS B 109 20.501 2.856 -15.487 1.00 29.41 C ATOM 1786 CD LYS B 109 21.143 2.231 -14.261 1.00 32.08 C ATOM 1787 CE LYS B 109 20.872 0.724 -14.251 1.00 34.88 C ATOM 1788 NZ LYS B 109 21.480 0.095 -13.052 1.00 38.31 N ATOM 1789 HA LYS B 109 19.269 4.911 -16.887 1.00 0.00 H ATOM 1790 HB2 LYS B 109 21.954 4.414 -15.566 1.00 0.00 H ATOM 1791 HB3 LYS B 109 20.441 4.851 -14.738 1.00 0.00 H ATOM 1792 HG2 LYS B 109 19.418 2.762 -15.412 1.00 0.00 H ATOM 1793 HG3 LYS B 109 20.849 2.335 -16.379 1.00 0.00 H ATOM 1794 HD2 LYS B 109 22.219 2.406 -14.285 1.00 0.00 H ATOM 1795 HD3 LYS B 109 20.723 2.681 -13.362 1.00 0.00 H ATOM 1796 HE2 LYS B 109 21.300 0.276 -15.148 1.00 0.00 H ATOM 1797 HE3 LYS B 109 19.796 0.553 -14.240 1.00 0.00 H ATOM 1798 HZ1 LYS B 109 22.508 0.254 -13.062 1.00 0.00 H ATOM 1799 HZ2 LYS B 109 21.071 0.518 -12.195 1.00 0.00 H ATOM 1800 HZ3 LYS B 109 21.286 -0.927 -13.062 1.00 0.00 H ATOM 1801 H LYS B 109 21.669 3.612 -17.945 1.00 0.00 H ATOM 1802 N ILE B 110 21.903 6.755 -17.461 1.00 26.22 N ATOM 1803 CA ILE B 110 22.379 8.128 -17.648 1.00 26.74 C ATOM 1804 C ILE B 110 21.490 8.842 -18.667 1.00 26.44 C ATOM 1805 O ILE B 110 21.045 9.981 -18.432 1.00 27.12 O ATOM 1806 CB ILE B 110 23.855 8.154 -18.098 1.00 26.47 C ATOM 1807 CG1 ILE B 110 24.749 7.488 -17.027 1.00 27.28 C ATOM 1808 CG2 ILE B 110 24.334 9.609 -18.391 1.00 26.37 C ATOM 1809 CD1 ILE B 110 26.208 7.414 -17.412 1.00 28.29 C ATOM 1810 HA ILE B 110 22.321 8.650 -16.693 1.00 0.00 H ATOM 1811 HB ILE B 110 23.938 7.589 -19.026 1.00 0.00 H ATOM 1812 HG12 ILE B 110 24.665 8.062 -16.104 1.00 0.00 H ATOM 1813 HG13 ILE B 110 24.386 6.474 -16.858 1.00 0.00 H ATOM 1814 HD11 ILE B 110 26.312 6.833 -18.328 1.00 0.00 H ATOM 1815 HD12 ILE B 110 26.591 8.421 -17.574 1.00 0.00 H ATOM 1816 HD13 ILE B 110 26.770 6.934 -16.611 1.00 0.00 H ATOM 1817 HG21 ILE B 110 23.722 10.039 -19.184 1.00 0.00 H ATOM 1818 HG22 ILE B 110 24.236 10.211 -17.488 1.00 0.00 H ATOM 1819 HG23 ILE B 110 25.378 9.590 -18.705 1.00 0.00 H ATOM 1820 H ILE B 110 22.512 5.971 -17.772 1.00 0.00 H ATOM 1821 N VAL B 111 21.213 8.168 -19.784 1.00 25.27 N ATOM 1822 CA VAL B 111 20.398 8.784 -20.828 1.00 25.15 C ATOM 1823 C VAL B 111 18.973 9.028 -20.308 1.00 25.46 C ATOM 1824 O VAL B 111 18.361 10.059 -20.605 1.00 25.11 O ATOM 1825 CB VAL B 111 20.416 7.954 -22.119 1.00 25.67 C ATOM 1826 CG1 VAL B 111 19.417 8.492 -23.139 1.00 26.10 C ATOM 1827 CG2 VAL B 111 21.828 7.938 -22.703 1.00 26.29 C ATOM 1828 HA VAL B 111 20.829 9.752 -21.083 1.00 0.00 H ATOM 1829 HB VAL B 111 20.118 6.934 -21.877 1.00 0.00 H ATOM 1830 HG11 VAL B 111 18.413 8.455 -22.717 1.00 0.00 H ATOM 1831 HG12 VAL B 111 19.671 9.523 -23.386 1.00 0.00 H ATOM 1832 HG13 VAL B 111 19.456 7.881 -24.041 1.00 0.00 H ATOM 1833 HG21 VAL B 111 22.140 8.959 -22.925 1.00 0.00 H ATOM 1834 HG22 VAL B 111 22.514 7.497 -21.980 1.00 0.00 H ATOM 1835 HG23 VAL B 111 21.834 7.347 -23.619 1.00 0.00 H ATOM 1836 H VAL B 111 21.578 7.203 -19.912 1.00 0.00 H ATOM 1837 N ARG B 112 18.455 8.081 -19.528 1.00 25.03 N ATOM 1838 CA ARG B 112 17.133 8.249 -18.917 1.00 26.55 C ATOM 1839 C ARG B 112 17.056 9.564 -18.133 1.00 25.86 C ATOM 1840 O ARG B 112 16.078 10.324 -18.292 1.00 25.94 O ATOM 1841 CB ARG B 112 16.793 7.072 -18.007 1.00 25.87 C ATOM 1842 CG ARG B 112 15.349 7.127 -17.541 1.00 29.60 C ATOM 1843 CD ARG B 112 15.039 5.996 -16.611 1.00 36.12 C ATOM 1844 NE ARG B 112 13.595 5.798 -16.468 1.00 40.71 N ATOM 1845 CZ ARG B 112 13.015 5.267 -15.393 1.00 44.50 C ATOM 1846 NH1 ARG B 112 13.749 4.906 -14.342 1.00 46.57 N ATOM 1847 NH2 ARG B 112 11.695 5.118 -15.358 1.00 46.17 N ATOM 1848 HA ARG B 112 16.400 8.282 -19.723 1.00 0.00 H ATOM 1849 HB2 ARG B 112 16.954 6.143 -18.554 1.00 0.00 H ATOM 1850 HB3 ARG B 112 17.448 7.097 -17.136 1.00 0.00 H ATOM 1851 HG2 ARG B 112 15.177 8.071 -17.024 1.00 0.00 H ATOM 1852 HG3 ARG B 112 14.692 7.065 -18.409 1.00 0.00 H ATOM 1853 HD2 ARG B 112 15.465 6.215 -15.632 1.00 0.00 H ATOM 1854 HD3 ARG B 112 15.485 5.082 -17.004 1.00 0.00 H ATOM 1855 HE ARG B 112 12.983 6.091 -17.256 1.00 0.00 H ATOM 1856 HH12 ARG B 112 13.291 4.492 -13.505 1.00 0.00 H ATOM 1857 HH11 ARG B 112 14.780 5.038 -14.358 1.00 0.00 H ATOM 1858 HH22 ARG B 112 11.241 4.704 -14.519 1.00 0.00 H ATOM 1859 HH21 ARG B 112 11.116 5.416 -16.169 1.00 0.00 H ATOM 1860 H ARG B 112 18.996 7.211 -19.350 1.00 0.00 H ATOM 1861 N VAL B 113 18.055 9.817 -17.283 1.00 25.46 N ATOM 1862 CA VAL B 113 18.130 11.073 -16.513 1.00 25.83 C ATOM 1863 C VAL B 113 18.209 12.289 -17.448 1.00 25.73 C ATOM 1864 O VAL B 113 17.476 13.266 -17.270 1.00 25.87 O ATOM 1865 CB VAL B 113 19.308 11.060 -15.519 1.00 26.40 C ATOM 1866 CG1 VAL B 113 19.483 12.425 -14.853 1.00 27.76 C ATOM 1867 CG2 VAL B 113 19.083 9.972 -14.455 1.00 27.50 C ATOM 1868 HA VAL B 113 17.213 11.155 -15.930 1.00 0.00 H ATOM 1869 HB VAL B 113 20.221 10.838 -16.072 1.00 0.00 H ATOM 1870 HG11 VAL B 113 19.679 13.178 -15.616 1.00 0.00 H ATOM 1871 HG12 VAL B 113 18.573 12.683 -14.312 1.00 0.00 H ATOM 1872 HG13 VAL B 113 20.321 12.384 -14.158 1.00 0.00 H ATOM 1873 HG21 VAL B 113 18.159 10.179 -13.916 1.00 0.00 H ATOM 1874 HG22 VAL B 113 19.011 8.999 -14.941 1.00 0.00 H ATOM 1875 HG23 VAL B 113 19.920 9.970 -13.757 1.00 0.00 H ATOM 1876 H VAL B 113 18.804 9.106 -17.160 1.00 0.00 H ATOM 1877 N LEU B 114 19.071 12.223 -18.457 1.00 25.53 N ATOM 1878 CA LEU B 114 19.171 13.335 -19.433 1.00 25.33 C ATOM 1879 C LEU B 114 17.838 13.649 -20.108 1.00 25.90 C ATOM 1880 O LEU B 114 17.454 14.822 -20.278 1.00 25.09 O ATOM 1881 CB LEU B 114 20.231 13.029 -20.493 1.00 25.80 C ATOM 1882 CG LEU B 114 21.689 13.126 -20.000 1.00 25.35 C ATOM 1883 CD1 LEU B 114 22.658 12.618 -21.081 1.00 26.23 C ATOM 1884 CD2 LEU B 114 22.054 14.568 -19.578 1.00 27.41 C ATOM 1885 HA LEU B 114 19.465 14.219 -18.867 1.00 0.00 H ATOM 1886 HB2 LEU B 114 20.063 12.016 -20.857 1.00 0.00 H ATOM 1887 HB3 LEU B 114 20.103 13.735 -21.314 1.00 0.00 H ATOM 1888 HG LEU B 114 21.782 12.492 -19.119 1.00 0.00 H ATOM 1889 HD21 LEU B 114 21.934 15.236 -20.431 1.00 0.00 H ATOM 1890 HD22 LEU B 114 21.396 14.886 -18.770 1.00 0.00 H ATOM 1891 HD23 LEU B 114 23.089 14.594 -19.237 1.00 0.00 H ATOM 1892 HD11 LEU B 114 22.430 11.577 -21.311 1.00 0.00 H ATOM 1893 HD12 LEU B 114 22.547 13.224 -21.980 1.00 0.00 H ATOM 1894 HD13 LEU B 114 23.682 12.694 -20.714 1.00 0.00 H ATOM 1895 H LEU B 114 19.679 11.386 -18.563 1.00 0.00 H ATOM 1896 N ASN B 115 17.134 12.598 -20.534 1.00 25.38 N ATOM 1897 CA ASN B 115 15.844 12.784 -21.181 1.00 25.98 C ATOM 1898 C ASN B 115 14.820 13.447 -20.254 1.00 26.35 C ATOM 1899 O ASN B 115 14.010 14.266 -20.702 1.00 26.20 O ATOM 1900 CB ASN B 115 15.312 11.463 -21.715 1.00 25.75 C ATOM 1901 CG ASN B 115 15.896 11.108 -23.073 1.00 28.56 C ATOM 1902 OD1 ASN B 115 16.486 11.958 -23.762 1.00 31.08 O ATOM 1903 ND2 ASN B 115 15.715 9.867 -23.474 1.00 28.17 N ATOM 1904 HA ASN B 115 16.002 13.461 -22.020 1.00 0.00 H ATOM 1905 HB2 ASN B 115 15.564 10.673 -21.008 1.00 0.00 H ATOM 1906 HB3 ASN B 115 14.228 11.534 -21.808 1.00 0.00 H ATOM 1907 HD22 ASN B 115 15.215 9.191 -22.862 1.00 0.00 H ATOM 1908 HD21 ASN B 115 16.072 9.563 -24.402 1.00 0.00 H ATOM 1909 H ASN B 115 17.511 11.638 -20.402 1.00 0.00 H ATOM 1910 N LEU B 116 14.851 13.064 -18.975 1.00 26.31 N ATOM 1911 CA LEU B 116 13.972 13.673 -17.970 1.00 27.28 C ATOM 1912 C LEU B 116 14.353 15.140 -17.727 1.00 27.07 C ATOM 1913 O LEU B 116 13.474 16.006 -17.626 1.00 27.90 O ATOM 1914 CB LEU B 116 14.027 12.879 -16.655 1.00 27.84 C ATOM 1915 CG LEU B 116 13.183 11.583 -16.677 1.00 28.31 C ATOM 1916 CD1 LEU B 116 13.592 10.710 -15.496 1.00 31.66 C ATOM 1917 CD2 LEU B 116 11.694 11.848 -16.645 1.00 30.88 C ATOM 1918 HA LEU B 116 12.951 13.645 -18.350 1.00 0.00 H ATOM 1919 HB2 LEU B 116 15.065 12.611 -16.457 1.00 0.00 H ATOM 1920 HB3 LEU B 116 13.658 13.517 -15.852 1.00 0.00 H ATOM 1921 HG LEU B 116 13.381 11.071 -17.619 1.00 0.00 H ATOM 1922 HD21 LEU B 116 11.443 12.393 -15.735 1.00 0.00 H ATOM 1923 HD22 LEU B 116 11.413 12.442 -17.515 1.00 0.00 H ATOM 1924 HD23 LEU B 116 11.157 10.900 -16.662 1.00 0.00 H ATOM 1925 HD11 LEU B 116 14.651 10.463 -15.578 1.00 0.00 H ATOM 1926 HD12 LEU B 116 13.414 11.251 -14.567 1.00 0.00 H ATOM 1927 HD13 LEU B 116 13.003 9.793 -15.502 1.00 0.00 H ATOM 1928 H LEU B 116 15.513 12.317 -18.684 1.00 0.00 H ATOM 1929 N TRP B 117 15.656 15.426 -17.658 1.00 27.31 N ATOM 1930 CA TRP B 117 16.088 16.813 -17.503 1.00 27.20 C ATOM 1931 C TRP B 117 15.599 17.688 -18.655 1.00 27.89 C ATOM 1932 O TRP B 117 15.159 18.822 -18.435 1.00 28.24 O ATOM 1933 CB TRP B 117 17.603 16.912 -17.396 1.00 28.15 C ATOM 1934 CG TRP B 117 18.147 16.437 -16.107 1.00 27.43 C ATOM 1935 CD1 TRP B 117 17.446 16.058 -14.989 1.00 29.03 C ATOM 1936 CD2 TRP B 117 19.529 16.347 -15.770 1.00 29.68 C ATOM 1937 NE1 TRP B 117 18.327 15.712 -13.974 1.00 30.14 N ATOM 1938 CE2 TRP B 117 19.609 15.893 -14.426 1.00 29.88 C ATOM 1939 CE3 TRP B 117 20.711 16.599 -16.477 1.00 29.47 C ATOM 1940 CZ2 TRP B 117 20.835 15.673 -13.779 1.00 30.74 C ATOM 1941 CZ3 TRP B 117 21.936 16.396 -15.835 1.00 28.81 C ATOM 1942 CH2 TRP B 117 21.983 15.928 -14.494 1.00 29.36 C ATOM 1943 HA TRP B 117 15.643 17.178 -16.577 1.00 0.00 H ATOM 1944 HB2 TRP B 117 18.043 16.315 -18.195 1.00 0.00 H ATOM 1945 HB3 TRP B 117 17.888 17.956 -17.525 1.00 0.00 H ATOM 1946 HE1 TRP B 117 18.060 15.372 -13.028 1.00 0.00 H ATOM 1947 HD1 TRP B 117 16.359 16.033 -14.910 1.00 0.00 H ATOM 1948 HZ2 TRP B 117 20.876 15.314 -12.751 1.00 0.00 H ATOM 1949 HH2 TRP B 117 22.951 15.767 -14.020 1.00 0.00 H ATOM 1950 HZ3 TRP B 117 22.865 16.599 -16.368 1.00 0.00 H ATOM 1951 HE3 TRP B 117 20.677 16.947 -17.509 1.00 0.00 H ATOM 1952 H TRP B 117 16.361 14.663 -17.714 1.00 0.00 H ATOM 1953 N GLN B 118 15.687 17.156 -19.877 1.00 27.29 N ATOM 1954 CA GLN B 118 15.190 17.866 -21.062 1.00 28.99 C ATOM 1955 C GLN B 118 13.676 18.063 -21.006 1.00 29.13 C ATOM 1956 O GLN B 118 13.186 19.184 -21.186 1.00 29.74 O ATOM 1957 CB GLN B 118 15.569 17.111 -22.340 1.00 29.17 C ATOM 1958 CG GLN B 118 15.270 17.898 -23.636 1.00 32.95 C ATOM 1959 CD GLN B 118 16.338 17.682 -24.692 1.00 37.63 C ATOM 1960 OE1 GLN B 118 17.260 18.498 -24.848 1.00 40.77 O ATOM 1961 NE2 GLN B 118 16.240 16.572 -25.402 1.00 38.70 N ATOM 1962 HA GLN B 118 15.660 18.849 -21.073 1.00 0.00 H ATOM 1963 HB2 GLN B 118 16.636 16.893 -22.308 1.00 0.00 H ATOM 1964 HB3 GLN B 118 15.009 16.176 -22.367 1.00 0.00 H ATOM 1965 HG2 GLN B 118 14.310 17.569 -24.034 1.00 0.00 H ATOM 1966 HG3 GLN B 118 15.219 18.961 -23.399 1.00 0.00 H ATOM 1967 HE22 GLN B 118 15.449 15.917 -25.236 1.00 0.00 H ATOM 1968 HE21 GLN B 118 16.954 16.353 -26.126 1.00 0.00 H ATOM 1969 H GLN B 118 16.118 16.216 -19.992 1.00 0.00 H ATOM 1970 N LYS B 119 12.947 16.981 -20.746 1.00 28.93 N ATOM 1971 CA LYS B 119 11.477 16.992 -20.766 1.00 30.09 C ATOM 1972 C LYS B 119 10.944 17.965 -19.714 1.00 30.36 C ATOM 1973 O LYS B 119 9.960 18.677 -19.946 1.00 29.74 O ATOM 1974 CB LYS B 119 10.946 15.574 -20.515 1.00 30.23 C ATOM 1975 CG LYS B 119 9.423 15.415 -20.475 1.00 33.06 C ATOM 1976 CD LYS B 119 9.079 14.362 -19.423 1.00 36.77 C ATOM 1977 CE LYS B 119 7.637 13.903 -19.514 1.00 40.81 C ATOM 1978 NZ LYS B 119 7.385 12.809 -18.524 1.00 43.75 N ATOM 1979 HA LYS B 119 11.132 17.326 -21.745 1.00 0.00 H ATOM 1980 HB2 LYS B 119 11.326 14.932 -21.309 1.00 0.00 H ATOM 1981 HB3 LYS B 119 11.340 15.237 -19.557 1.00 0.00 H ATOM 1982 HG2 LYS B 119 8.960 16.366 -20.211 1.00 0.00 H ATOM 1983 HG3 LYS B 119 9.060 15.094 -21.451 1.00 0.00 H ATOM 1984 HD2 LYS B 119 9.731 13.500 -19.564 1.00 0.00 H ATOM 1985 HD3 LYS B 119 9.250 14.786 -18.434 1.00 0.00 H ATOM 1986 HE2 LYS B 119 7.438 13.533 -20.520 1.00 0.00 H ATOM 1987 HE3 LYS B 119 6.976 14.743 -19.300 1.00 0.00 H ATOM 1988 HZ1 LYS B 119 8.014 12.006 -18.729 1.00 0.00 H ATOM 1989 HZ2 LYS B 119 7.573 13.162 -17.564 1.00 0.00 H ATOM 1990 HZ3 LYS B 119 6.394 12.501 -18.594 1.00 0.00 H ATOM 1991 H LYS B 119 13.437 16.092 -20.520 1.00 0.00 H ATOM 1992 N ASN B 120 11.634 18.017 -18.579 1.00 30.71 N ATOM 1993 CA ASN B 120 11.194 18.802 -17.433 1.00 31.93 C ATOM 1994 C ASN B 120 11.919 20.139 -17.276 1.00 32.44 C ATOM 1995 O ASN B 120 11.716 20.854 -16.288 1.00 32.85 O ATOM 1996 CB ASN B 120 11.280 17.953 -16.159 1.00 32.17 C ATOM 1997 CG ASN B 120 10.321 16.756 -16.189 1.00 33.37 C ATOM 1998 OD1 ASN B 120 10.699 15.626 -15.855 1.00 36.31 O ATOM 1999 ND2 ASN B 120 9.086 16.999 -16.591 1.00 34.01 N ATOM 2000 HA ASN B 120 10.155 19.074 -17.617 1.00 0.00 H ATOM 2001 HB2 ASN B 120 12.300 17.583 -16.053 1.00 0.00 H ATOM 2002 HB3 ASN B 120 11.031 18.580 -15.303 1.00 0.00 H ATOM 2003 HD22 ASN B 120 8.808 17.963 -16.863 1.00 0.00 H ATOM 2004 HD21 ASN B 120 8.392 16.226 -16.635 1.00 0.00 H ATOM 2005 H ASN B 120 12.520 17.478 -18.506 1.00 0.00 H ATOM 2006 N ASN B 121 12.747 20.471 -18.265 1.00 32.78 N ATOM 2007 CA ASN B 121 13.488 21.738 -18.308 1.00 33.71 C ATOM 2008 C ASN B 121 14.354 21.979 -17.067 1.00 34.14 C ATOM 2009 O ASN B 121 14.505 23.125 -16.624 1.00 34.11 O ATOM 2010 CB ASN B 121 12.542 22.938 -18.569 1.00 33.97 C ATOM 2011 CG ASN B 121 11.825 22.858 -19.915 1.00 36.13 C ATOM 2012 OD1 ASN B 121 12.439 22.632 -20.964 1.00 38.65 O ATOM 2013 ND2 ASN B 121 10.512 23.065 -19.890 1.00 37.83 N ATOM 2014 HA ASN B 121 14.177 21.652 -19.148 1.00 0.00 H ATOM 2015 HB2 ASN B 121 11.792 22.967 -17.778 1.00 0.00 H ATOM 2016 HB3 ASN B 121 13.130 23.855 -18.544 1.00 0.00 H ATOM 2017 HD22 ASN B 121 10.032 23.252 -18.986 1.00 0.00 H ATOM 2018 HD21 ASN B 121 9.965 23.040 -20.774 1.00 0.00 H ATOM 2019 H ASN B 121 12.875 19.798 -19.047 1.00 0.00 H ATOM 2020 N VAL B 122 14.918 20.893 -16.524 1.00 33.36 N ATOM 2021 CA VAL B 122 15.779 20.933 -15.331 1.00 33.89 C ATOM 2022 C VAL B 122 17.089 21.657 -15.662 1.00 34.64 C ATOM 2023 O VAL B 122 17.580 22.461 -14.861 1.00 35.23 O ATOM 2024 CB VAL B 122 16.037 19.508 -14.749 1.00 33.03 C ATOM 2025 CG1 VAL B 122 16.951 19.559 -13.512 1.00 33.06 C ATOM 2026 CG2 VAL B 122 14.720 18.815 -14.403 1.00 33.73 C ATOM 2027 HA VAL B 122 15.260 21.491 -14.551 1.00 0.00 H ATOM 2028 HB VAL B 122 16.546 18.930 -15.521 1.00 0.00 H ATOM 2029 HG11 VAL B 122 17.910 19.998 -13.788 1.00 0.00 H ATOM 2030 HG12 VAL B 122 16.481 20.167 -12.739 1.00 0.00 H ATOM 2031 HG13 VAL B 122 17.107 18.548 -13.135 1.00 0.00 H ATOM 2032 HG21 VAL B 122 14.184 19.406 -13.660 1.00 0.00 H ATOM 2033 HG22 VAL B 122 14.112 18.722 -15.303 1.00 0.00 H ATOM 2034 HG23 VAL B 122 14.927 17.824 -13.999 1.00 0.00 H ATOM 2035 H VAL B 122 14.738 19.971 -16.970 1.00 0.00 H ATOM 2036 N PHE B 123 17.639 21.363 -16.838 1.00 35.42 N ATOM 2037 CA PHE B 123 18.783 22.077 -17.403 1.00 36.32 C ATOM 2038 C PHE B 123 18.382 22.603 -18.768 1.00 36.97 C ATOM 2039 O PHE B 123 17.447 22.098 -19.414 1.00 36.90 O ATOM 2040 CB PHE B 123 20.042 21.181 -17.535 1.00 36.50 C ATOM 2041 CG PHE B 123 20.675 20.782 -16.223 1.00 36.23 C ATOM 2042 CD1 PHE B 123 20.141 19.754 -15.456 1.00 35.12 C ATOM 2043 CD2 PHE B 123 21.815 21.435 -15.747 1.00 36.57 C ATOM 2044 CE1 PHE B 123 20.715 19.379 -14.253 1.00 36.46 C ATOM 2045 CE2 PHE B 123 22.412 21.051 -14.553 1.00 35.86 C ATOM 2046 CZ PHE B 123 21.863 20.037 -13.795 1.00 36.71 C ATOM 2047 HA PHE B 123 19.049 22.890 -16.727 1.00 0.00 H ATOM 2048 HB2 PHE B 123 19.758 20.272 -18.065 1.00 0.00 H ATOM 2049 HB3 PHE B 123 20.785 21.724 -18.119 1.00 0.00 H ATOM 2050 HD2 PHE B 123 22.242 22.258 -16.321 1.00 0.00 H ATOM 2051 HE2 PHE B 123 23.318 21.553 -14.213 1.00 0.00 H ATOM 2052 HZ PHE B 123 22.319 19.751 -12.847 1.00 0.00 H ATOM 2053 HE1 PHE B 123 20.275 18.574 -13.664 1.00 0.00 H ATOM 2054 HD1 PHE B 123 19.252 19.232 -15.809 1.00 0.00 H ATOM 2055 H PHE B 123 17.231 20.580 -17.387 1.00 0.00 H ATOM 2056 N LYS B 124 19.092 23.630 -19.219 1.00 37.72 N ATOM 2057 CA LYS B 124 18.816 24.217 -20.514 1.00 38.42 C ATOM 2058 C LYS B 124 19.110 23.201 -21.623 1.00 38.34 C ATOM 2059 O LYS B 124 20.077 22.434 -21.542 1.00 38.31 O ATOM 2060 CB LYS B 124 19.604 25.519 -20.696 1.00 38.64 C ATOM 2061 CG LYS B 124 19.375 26.531 -19.572 1.00 39.78 C ATOM 2062 CD LYS B 124 20.173 27.805 -19.801 1.00 40.32 C ATOM 2063 CE LYS B 124 19.755 28.891 -18.820 1.00 43.23 C ATOM 2064 NZ LYS B 124 20.365 30.201 -19.182 1.00 45.19 N ATOM 2065 HA LYS B 124 17.759 24.475 -20.575 1.00 0.00 H ATOM 2066 HB2 LYS B 124 20.666 25.278 -20.733 1.00 0.00 H ATOM 2067 HB3 LYS B 124 19.304 25.976 -21.639 1.00 0.00 H ATOM 2068 HG2 LYS B 124 18.315 26.779 -19.529 1.00 0.00 H ATOM 2069 HG3 LYS B 124 19.681 26.086 -18.626 1.00 0.00 H ATOM 2070 HD2 LYS B 124 21.233 27.591 -19.667 1.00 0.00 H ATOM 2071 HD3 LYS B 124 20.000 28.157 -20.818 1.00 0.00 H ATOM 2072 HE2 LYS B 124 20.080 28.611 -17.818 1.00 0.00 H ATOM 2073 HE3 LYS B 124 18.669 28.987 -18.835 1.00 0.00 H ATOM 2074 HZ1 LYS B 124 21.401 30.116 -19.165 1.00 0.00 H ATOM 2075 HZ2 LYS B 124 20.054 30.475 -20.136 1.00 0.00 H ATOM 2076 HZ3 LYS B 124 20.064 30.923 -18.497 1.00 0.00 H ATOM 2077 H LYS B 124 19.858 24.019 -18.633 1.00 0.00 H ATOM 2078 N SER B 125 18.252 23.177 -22.633 1.00 37.92 N ATOM 2079 CA SER B 125 18.350 22.195 -23.717 1.00 38.10 C ATOM 2080 C SER B 125 19.709 22.241 -24.429 1.00 37.63 C ATOM 2081 O SER B 125 20.256 21.201 -24.794 1.00 37.27 O ATOM 2082 CB SER B 125 17.209 22.383 -24.712 1.00 38.70 C ATOM 2083 OG SER B 125 16.802 21.136 -25.243 1.00 39.54 O ATOM 2084 HA SER B 125 18.265 21.207 -23.265 1.00 0.00 H ATOM 2085 HB2 SER B 125 17.544 23.027 -25.525 1.00 0.00 H ATOM 2086 HB3 SER B 125 16.364 22.850 -24.205 1.00 0.00 H ATOM 2087 HG SER B 125 16.494 20.550 -24.507 1.00 0.00 H ATOM 2088 H SER B 125 17.484 23.878 -22.657 1.00 0.00 H ATOM 2089 N GLU B 126 20.241 23.456 -24.599 1.00 37.24 N ATOM 2090 CA GLU B 126 21.583 23.704 -25.148 1.00 36.95 C ATOM 2091 C GLU B 126 22.705 22.970 -24.386 1.00 36.03 C ATOM 2092 O GLU B 126 23.739 22.617 -24.961 1.00 35.45 O ATOM 2093 CB GLU B 126 21.857 25.216 -25.146 1.00 37.32 C ATOM 2094 CG GLU B 126 23.046 25.662 -25.993 1.00 39.11 C ATOM 2095 CD GLU B 126 23.183 27.187 -26.094 1.00 38.82 C ATOM 2096 OE1 GLU B 126 23.486 27.834 -25.068 1.00 42.70 O ATOM 2097 OE2 GLU B 126 23.010 27.737 -27.208 1.00 42.61 O ATOM 2098 HA GLU B 126 21.591 23.307 -26.163 1.00 0.00 H ATOM 2099 HB2 GLU B 126 20.967 25.721 -25.521 1.00 0.00 H ATOM 2100 HB3 GLU B 126 22.041 25.524 -24.117 1.00 0.00 H ATOM 2101 HG2 GLU B 126 23.957 25.261 -25.549 1.00 0.00 H ATOM 2102 HG3 GLU B 126 22.926 25.258 -26.998 1.00 0.00 H ATOM 2103 H GLU B 126 19.668 24.280 -24.325 1.00 0.00 H ATOM 2104 N ILE B 127 22.493 22.771 -23.088 1.00 34.41 N ATOM 2105 CA ILE B 127 23.461 22.123 -22.215 1.00 33.86 C ATOM 2106 C ILE B 127 23.339 20.601 -22.359 1.00 32.69 C ATOM 2107 O ILE B 127 24.340 19.867 -22.378 1.00 32.27 O ATOM 2108 CB ILE B 127 23.212 22.528 -20.728 1.00 34.57 C ATOM 2109 CG1 ILE B 127 23.347 24.048 -20.509 1.00 36.02 C ATOM 2110 CG2 ILE B 127 24.084 21.720 -19.755 1.00 34.63 C ATOM 2111 CD1 ILE B 127 24.683 24.660 -20.921 1.00 38.16 C ATOM 2112 HA ILE B 127 24.463 22.442 -22.502 1.00 0.00 H ATOM 2113 HB ILE B 127 22.176 22.273 -20.503 1.00 0.00 H ATOM 2114 HG12 ILE B 127 22.562 24.540 -21.083 1.00 0.00 H ATOM 2115 HG13 ILE B 127 23.200 24.248 -19.448 1.00 0.00 H ATOM 2116 HD11 ILE B 127 25.486 24.196 -20.348 1.00 0.00 H ATOM 2117 HD12 ILE B 127 24.847 24.488 -21.985 1.00 0.00 H ATOM 2118 HD13 ILE B 127 24.667 25.732 -20.723 1.00 0.00 H ATOM 2119 HG21 ILE B 127 23.857 20.659 -19.861 1.00 0.00 H ATOM 2120 HG22 ILE B 127 25.136 21.892 -19.983 1.00 0.00 H ATOM 2121 HG23 ILE B 127 23.875 22.037 -18.733 1.00 0.00 H ATOM 2122 H ILE B 127 21.593 23.093 -22.678 1.00 0.00 H ATOM 2123 N ILE B 128 22.101 20.136 -22.471 1.00 30.70 N ATOM 2124 CA ILE B 128 21.809 18.702 -22.464 1.00 29.90 C ATOM 2125 C ILE B 128 22.190 18.002 -23.760 1.00 28.56 C ATOM 2126 O ILE B 128 22.657 16.863 -23.731 1.00 28.15 O ATOM 2127 CB ILE B 128 20.320 18.446 -22.151 1.00 29.47 C ATOM 2128 CG1 ILE B 128 20.032 18.808 -20.692 1.00 30.91 C ATOM 2129 CG2 ILE B 128 19.922 16.980 -22.436 1.00 30.27 C ATOM 2130 CD1 ILE B 128 18.544 18.944 -20.380 1.00 32.62 C ATOM 2131 HA ILE B 128 22.430 18.276 -21.676 1.00 0.00 H ATOM 2132 HB ILE B 128 19.719 19.078 -22.806 1.00 0.00 H ATOM 2133 HG12 ILE B 128 20.449 18.028 -20.054 1.00 0.00 H ATOM 2134 HG13 ILE B 128 20.520 19.757 -20.469 1.00 0.00 H ATOM 2135 HD11 ILE B 128 18.114 19.729 -21.002 1.00 0.00 H ATOM 2136 HD12 ILE B 128 18.043 17.999 -20.587 1.00 0.00 H ATOM 2137 HD13 ILE B 128 18.417 19.202 -19.329 1.00 0.00 H ATOM 2138 HG21 ILE B 128 20.096 16.756 -23.488 1.00 0.00 H ATOM 2139 HG22 ILE B 128 20.524 16.315 -21.817 1.00 0.00 H ATOM 2140 HG23 ILE B 128 18.866 16.840 -22.203 1.00 0.00 H ATOM 2141 H ILE B 128 21.315 20.811 -22.567 1.00 0.00 H ATOM 2142 N GLN B 129 21.979 18.672 -24.889 1.00 27.84 N ATOM 2143 CA GLN B 129 22.137 18.006 -26.178 1.00 27.70 C ATOM 2144 C GLN B 129 23.528 17.394 -26.389 1.00 26.77 C ATOM 2145 O GLN B 129 23.628 16.254 -26.846 1.00 26.10 O ATOM 2146 CB GLN B 129 21.719 18.895 -27.365 1.00 28.23 C ATOM 2147 CG GLN B 129 21.494 18.103 -28.668 1.00 31.12 C ATOM 2148 CD GLN B 129 20.524 16.917 -28.492 1.00 34.40 C ATOM 2149 OE1 GLN B 129 19.399 17.081 -28.016 1.00 36.15 O ATOM 2150 NE2 GLN B 129 20.973 15.721 -28.869 1.00 33.59 N ATOM 2151 HA GLN B 129 21.441 17.168 -26.145 1.00 0.00 H ATOM 2152 HB2 GLN B 129 20.792 19.406 -27.106 1.00 0.00 H ATOM 2153 HB3 GLN B 129 22.503 19.632 -27.539 1.00 0.00 H ATOM 2154 HG2 GLN B 129 21.085 18.778 -29.419 1.00 0.00 H ATOM 2155 HG3 GLN B 129 22.454 17.719 -29.012 1.00 0.00 H ATOM 2156 HE22 GLN B 129 21.929 15.626 -29.266 1.00 0.00 H ATOM 2157 HE21 GLN B 129 20.367 14.882 -28.766 1.00 0.00 H ATOM 2158 H GLN B 129 21.701 19.673 -24.853 1.00 0.00 H ATOM 2159 N PRO B 130 24.603 18.153 -26.100 1.00 26.49 N ATOM 2160 CA PRO B 130 25.918 17.517 -26.256 1.00 25.78 C ATOM 2161 C PRO B 130 26.124 16.288 -25.368 1.00 25.08 C ATOM 2162 O PRO B 130 26.856 15.385 -25.766 1.00 24.22 O ATOM 2163 CB PRO B 130 26.907 18.632 -25.868 1.00 26.34 C ATOM 2164 CG PRO B 130 26.166 19.895 -26.080 1.00 28.00 C ATOM 2165 CD PRO B 130 24.728 19.580 -25.746 1.00 27.06 C ATOM 2166 HA PRO B 130 26.046 17.135 -27.269 1.00 0.00 H ATOM 2167 HD3 PRO B 130 24.529 19.739 -24.686 1.00 0.00 H ATOM 2168 HD2 PRO B 130 24.046 20.191 -26.338 1.00 0.00 H ATOM 2169 HG3 PRO B 130 26.254 20.219 -27.117 1.00 0.00 H ATOM 2170 HG2 PRO B 130 26.548 20.676 -25.422 1.00 0.00 H ATOM 2171 HB2 PRO B 130 27.205 18.533 -24.824 1.00 0.00 H ATOM 2172 HB3 PRO B 130 27.793 18.596 -26.502 1.00 0.00 H ATOM 2173 N LEU B 131 25.494 16.263 -24.191 1.00 23.65 N ATOM 2174 CA LEU B 131 25.599 15.122 -23.266 1.00 23.65 C ATOM 2175 C LEU B 131 24.904 13.871 -23.856 1.00 24.10 C ATOM 2176 O LEU B 131 25.421 12.764 -23.770 1.00 23.83 O ATOM 2177 CB LEU B 131 25.027 15.462 -21.880 1.00 24.10 C ATOM 2178 CG LEU B 131 25.533 16.772 -21.251 1.00 24.80 C ATOM 2179 CD1 LEU B 131 24.814 17.021 -19.919 1.00 25.94 C ATOM 2180 CD2 LEU B 131 27.052 16.713 -21.055 1.00 27.19 C ATOM 2181 HA LEU B 131 26.658 14.899 -23.138 1.00 0.00 H ATOM 2182 HB2 LEU B 131 23.943 15.532 -21.973 1.00 0.00 H ATOM 2183 HB3 LEU B 131 25.281 14.646 -21.204 1.00 0.00 H ATOM 2184 HG LEU B 131 25.312 17.602 -21.922 1.00 0.00 H ATOM 2185 HD21 LEU B 131 27.300 15.881 -20.396 1.00 0.00 H ATOM 2186 HD22 LEU B 131 27.536 16.570 -22.021 1.00 0.00 H ATOM 2187 HD23 LEU B 131 27.396 17.646 -20.609 1.00 0.00 H ATOM 2188 HD11 LEU B 131 23.741 17.096 -20.095 1.00 0.00 H ATOM 2189 HD12 LEU B 131 25.015 16.193 -19.239 1.00 0.00 H ATOM 2190 HD13 LEU B 131 25.177 17.950 -19.480 1.00 0.00 H ATOM 2191 H LEU B 131 24.909 17.078 -23.918 1.00 0.00 H ATOM 2192 N LEU B 132 23.746 14.068 -24.472 1.00 24.11 N ATOM 2193 CA LEU B 132 23.093 12.972 -25.185 1.00 24.91 C ATOM 2194 C LEU B 132 23.925 12.518 -26.379 1.00 25.23 C ATOM 2195 O LEU B 132 24.028 11.312 -26.644 1.00 25.22 O ATOM 2196 CB LEU B 132 21.710 13.391 -25.665 1.00 25.39 C ATOM 2197 CG LEU B 132 20.669 13.545 -24.558 1.00 26.33 C ATOM 2198 CD1 LEU B 132 19.507 14.360 -25.115 1.00 28.83 C ATOM 2199 CD2 LEU B 132 20.201 12.166 -24.064 1.00 28.25 C ATOM 2200 HA LEU B 132 22.997 12.140 -24.487 1.00 0.00 H ATOM 2201 HB2 LEU B 132 21.804 14.348 -26.178 1.00 0.00 H ATOM 2202 HB3 LEU B 132 21.351 12.638 -26.366 1.00 0.00 H ATOM 2203 HG LEU B 132 21.099 14.062 -23.700 1.00 0.00 H ATOM 2204 HD21 LEU B 132 19.758 11.615 -24.894 1.00 0.00 H ATOM 2205 HD22 LEU B 132 21.055 11.612 -23.674 1.00 0.00 H ATOM 2206 HD23 LEU B 132 19.460 12.296 -23.276 1.00 0.00 H ATOM 2207 HD11 LEU B 132 19.869 15.338 -25.431 1.00 0.00 H ATOM 2208 HD12 LEU B 132 19.075 13.838 -25.969 1.00 0.00 H ATOM 2209 HD13 LEU B 132 18.749 14.484 -24.342 1.00 0.00 H ATOM 2210 H LEU B 132 23.300 15.007 -24.448 1.00 0.00 H ATOM 2211 N ASP B 133 24.499 13.479 -27.108 1.00 24.50 N ATOM 2212 CA ASP B 133 25.302 13.139 -28.292 1.00 25.47 C ATOM 2213 C ASP B 133 26.487 12.264 -27.870 1.00 24.73 C ATOM 2214 O ASP B 133 26.807 11.291 -28.554 1.00 23.28 O ATOM 2215 CB ASP B 133 25.765 14.398 -29.030 1.00 25.70 C ATOM 2216 CG ASP B 133 24.621 15.145 -29.711 1.00 28.71 C ATOM 2217 OD1 ASP B 133 23.508 14.581 -29.850 1.00 29.56 O ATOM 2218 OD2 ASP B 133 24.844 16.296 -30.143 1.00 31.35 O ATOM 2219 HA ASP B 133 24.684 12.576 -28.991 1.00 0.00 H ATOM 2220 HB2 ASP B 133 26.239 15.067 -28.312 1.00 0.00 H ATOM 2221 HB3 ASP B 133 26.492 14.109 -29.789 1.00 0.00 H ATOM 2222 H ASP B 133 24.377 14.475 -26.836 1.00 0.00 H ATOM 2223 N MET B 134 27.107 12.617 -26.737 1.00 25.17 N ATOM 2224 CA MET B 134 28.170 11.803 -26.165 1.00 25.22 C ATOM 2225 C MET B 134 27.727 10.371 -25.888 1.00 25.72 C ATOM 2226 O MET B 134 28.465 9.432 -26.187 1.00 25.51 O ATOM 2227 CB MET B 134 28.694 12.434 -24.888 1.00 25.81 C ATOM 2228 CG MET B 134 29.263 13.795 -25.118 1.00 24.19 C ATOM 2229 SD MET B 134 29.924 14.474 -23.606 1.00 26.12 S ATOM 2230 CE MET B 134 31.208 13.237 -23.386 1.00 21.00 C ATOM 2231 HA MET B 134 28.966 11.761 -26.908 1.00 0.00 H ATOM 2232 HB2 MET B 134 27.874 12.513 -24.174 1.00 0.00 H ATOM 2233 HB3 MET B 134 29.473 11.794 -24.475 1.00 0.00 H ATOM 2234 HG2 MET B 134 28.477 14.452 -25.491 1.00 0.00 H ATOM 2235 HG3 MET B 134 30.061 13.728 -25.858 1.00 0.00 H ATOM 2236 HE1 MET B 134 30.750 12.251 -23.301 1.00 0.00 H ATOM 2237 HE2 MET B 134 31.879 13.255 -24.245 1.00 0.00 H ATOM 2238 HE3 MET B 134 31.771 13.457 -22.479 1.00 0.00 H ATOM 2239 H MET B 134 26.823 13.493 -26.254 1.00 0.00 H ATOM 2240 N ALA B 135 26.520 10.193 -25.353 1.00 25.42 N ATOM 2241 CA ALA B 135 25.992 8.835 -25.128 1.00 25.96 C ATOM 2242 C ALA B 135 25.902 8.048 -26.435 1.00 25.15 C ATOM 2243 O ALA B 135 26.355 6.889 -26.516 1.00 25.90 O ATOM 2244 CB ALA B 135 24.614 8.885 -24.427 1.00 25.34 C ATOM 2245 HA ALA B 135 26.691 8.317 -24.472 1.00 0.00 H ATOM 2246 HB1 ALA B 135 24.716 9.385 -23.464 1.00 0.00 H ATOM 2247 HB2 ALA B 135 23.910 9.435 -25.051 1.00 0.00 H ATOM 2248 HB3 ALA B 135 24.249 7.870 -24.274 1.00 0.00 H ATOM 2249 H ALA B 135 25.945 11.019 -25.092 1.00 0.00 H ATOM 2250 N ALA B 136 25.346 8.679 -27.472 1.00 25.24 N ATOM 2251 CA ALA B 136 25.139 8.007 -28.747 1.00 25.20 C ATOM 2252 C ALA B 136 26.464 7.665 -29.418 1.00 25.42 C ATOM 2253 O ALA B 136 26.625 6.579 -29.957 1.00 24.42 O ATOM 2254 CB ALA B 136 24.263 8.844 -29.680 1.00 25.03 C ATOM 2255 HA ALA B 136 24.617 7.073 -28.539 1.00 0.00 H ATOM 2256 HB1 ALA B 136 23.292 9.010 -29.213 1.00 0.00 H ATOM 2257 HB2 ALA B 136 24.746 9.803 -29.867 1.00 0.00 H ATOM 2258 HB3 ALA B 136 24.128 8.314 -30.623 1.00 0.00 H ATOM 2259 H ALA B 136 25.055 9.672 -27.367 1.00 0.00 H ATOM 2260 N ALA B 137 27.424 8.595 -29.362 1.00 25.67 N ATOM 2261 CA ALA B 137 28.719 8.385 -30.001 1.00 26.82 C ATOM 2262 C ALA B 137 29.432 7.173 -29.405 1.00 27.72 C ATOM 2263 O ALA B 137 30.142 6.461 -30.116 1.00 27.82 O ATOM 2264 CB ALA B 137 29.594 9.636 -29.893 1.00 26.92 C ATOM 2265 HA ALA B 137 28.541 8.188 -31.058 1.00 0.00 H ATOM 2266 HB1 ALA B 137 29.093 10.471 -30.383 1.00 0.00 H ATOM 2267 HB2 ALA B 137 29.757 9.874 -28.842 1.00 0.00 H ATOM 2268 HB3 ALA B 137 30.553 9.450 -30.378 1.00 0.00 H ATOM 2269 H ALA B 137 27.244 9.484 -28.854 1.00 0.00 H ATOM 2270 N LEU B 138 29.216 6.936 -28.110 1.00 29.27 N ATOM 2271 CA LEU B 138 29.783 5.776 -27.423 1.00 31.29 C ATOM 2272 C LEU B 138 29.238 4.456 -27.978 1.00 32.24 C ATOM 2273 O LEU B 138 29.934 3.442 -27.941 1.00 32.75 O ATOM 2274 CB LEU B 138 29.552 5.857 -25.906 1.00 31.30 C ATOM 2275 CG LEU B 138 30.439 6.808 -25.088 1.00 33.29 C ATOM 2276 CD1 LEU B 138 29.930 6.872 -23.672 1.00 35.69 C ATOM 2277 CD2 LEU B 138 31.919 6.396 -25.101 1.00 34.99 C ATOM 2278 HA LEU B 138 30.857 5.795 -27.610 1.00 0.00 H ATOM 2279 HB2 LEU B 138 28.518 6.166 -25.752 1.00 0.00 H ATOM 2280 HB3 LEU B 138 29.694 4.854 -25.503 1.00 0.00 H ATOM 2281 HG LEU B 138 30.383 7.792 -25.553 1.00 0.00 H ATOM 2282 HD21 LEU B 138 32.020 5.397 -24.678 1.00 0.00 H ATOM 2283 HD22 LEU B 138 32.286 6.396 -26.127 1.00 0.00 H ATOM 2284 HD23 LEU B 138 32.497 7.104 -24.507 1.00 0.00 H ATOM 2285 HD11 LEU B 138 28.904 7.240 -23.672 1.00 0.00 H ATOM 2286 HD12 LEU B 138 29.960 5.876 -23.231 1.00 0.00 H ATOM 2287 HD13 LEU B 138 30.559 7.547 -23.091 1.00 0.00 H ATOM 2288 H LEU B 138 28.624 7.599 -27.570 1.00 0.00 H ATOM 2289 N GLU B 139 28.015 4.483 -28.512 1.00 33.64 N ATOM 2290 CA GLU B 139 27.369 3.289 -29.093 1.00 35.07 C ATOM 2291 C GLU B 139 27.796 3.018 -30.534 1.00 36.05 C ATOM 2292 O GLU B 139 27.417 1.998 -31.132 1.00 36.38 O ATOM 2293 CB GLU B 139 25.837 3.399 -29.033 1.00 34.88 C ATOM 2294 CG GLU B 139 25.249 3.647 -27.654 1.00 36.01 C ATOM 2295 CD GLU B 139 25.405 2.470 -26.690 1.00 36.38 C ATOM 2296 OE1 GLU B 139 25.775 1.351 -27.118 1.00 39.41 O ATOM 2297 OE2 GLU B 139 25.125 2.676 -25.496 1.00 38.34 O ATOM 2298 HA GLU B 139 27.703 2.450 -28.483 1.00 0.00 H ATOM 2299 HB2 GLU B 139 25.534 4.222 -29.680 1.00 0.00 H ATOM 2300 HB3 GLU B 139 25.419 2.467 -29.413 1.00 0.00 H ATOM 2301 HG2 GLU B 139 25.747 4.514 -27.220 1.00 0.00 H ATOM 2302 HG3 GLU B 139 24.186 3.859 -27.767 1.00 0.00 H ATOM 2303 H GLU B 139 27.495 5.384 -28.519 1.00 0.00 H ATOM 2304 N HIS B 140 28.575 3.937 -31.096 1.00 37.04 N ATOM 2305 CA HIS B 140 29.046 3.820 -32.467 1.00 37.89 C ATOM 2306 C HIS B 140 30.557 3.598 -32.518 1.00 38.32 C ATOM 2307 O HIS B 140 31.241 3.681 -31.492 1.00 38.77 O ATOM 2308 CB HIS B 140 28.653 5.068 -33.265 1.00 38.29 C ATOM 2309 CG HIS B 140 27.184 5.166 -33.559 1.00 38.26 C ATOM 2310 ND1 HIS B 140 26.548 4.332 -34.455 1.00 37.61 N ATOM 2311 CD2 HIS B 140 26.232 6.010 -33.093 1.00 37.13 C ATOM 2312 CE1 HIS B 140 25.267 4.651 -34.520 1.00 37.16 C ATOM 2313 NE2 HIS B 140 25.050 5.668 -33.706 1.00 37.01 N ATOM 2314 HA HIS B 140 28.571 2.949 -32.919 1.00 0.00 H ATOM 2315 HB2 HIS B 140 28.948 5.948 -32.693 1.00 0.00 H ATOM 2316 HB3 HIS B 140 29.192 5.054 -34.212 1.00 0.00 H ATOM 2317 HD2 HIS B 140 26.376 6.811 -32.368 1.00 0.00 H ATOM 2318 HE1 HIS B 140 24.518 4.159 -35.140 1.00 0.00 H ATOM 2319 H HIS B 140 28.857 4.767 -30.537 1.00 0.00 H TER 2320 HIS B 140 HETATM 2321 O HOH 1 21.373 3.980 -7.188 1.00 24.18 O HETATM 2322 O HOH 2 25.065 19.959 5.600 1.00 23.00 O HETATM 2323 O HOH 3 32.080 10.264 7.413 1.00 34.48 O HETATM 2324 O HOH 4 18.468 2.791 -11.166 1.00 33.28 O HETATM 2325 O HOH 5 17.995 6.379 -14.561 1.00 24.77 O HETATM 2326 O HOH 6 15.681 20.017 2.157 1.00 30.80 O HETATM 2327 O HOH 7 17.715 20.218 4.156 1.00 26.87 O HETATM 2328 O HOH 8 24.040 26.922 4.441 1.00 23.13 O HETATM 2329 O HOH 9 24.522 29.254 -9.198 1.00 23.50 O HETATM 2330 O HOH 10 17.348 25.515 -11.948 1.00 22.38 O HETATM 2331 O HOH 11 30.395 22.722 -12.362 1.00 21.44 O HETATM 2332 O HOH 12 31.914 24.507 -10.731 1.00 33.64 O HETATM 2333 O HOH 13 31.868 24.337 -7.596 1.00 25.75 O HETATM 2334 O HOH 14 33.167 22.537 -9.023 1.00 27.46 O HETATM 2335 O HOH 15 33.298 14.679 -12.183 1.00 24.28 O HETATM 2336 O HOH 16 28.851 19.178 -13.011 1.00 23.26 O HETATM 2337 O HOH 17 27.208 3.471 -12.323 1.00 20.81 O HETATM 2338 O HOH 18 11.827 20.240 -8.789 1.00 25.98 O HETATM 2339 O HOH 19 30.985 21.903 -19.221 1.00 31.35 O HETATM 2340 O HOH 20 12.924 15.466 -13.868 1.00 34.47 O HETATM 2341 O HOH 21 11.947 17.831 -12.597 1.00 39.48 O HETATM 2342 O HOH 22 17.909 28.566 -11.363 1.00 28.79 O HETATM 2343 O HOH 23 33.819 4.581 -4.805 1.00 30.92 O HETATM 2344 O HOH 24 10.065 26.363 0.101 1.00 26.82 O HETATM 2345 O HOH 25 33.403 17.418 -13.226 1.00 22.94 O HETATM 2346 O HOH 26 13.679 9.435 -19.436 1.00 24.84 O HETATM 2347 O HOH 27 29.098 28.784 -2.210 1.00 26.87 O HETATM 2348 O HOH 28 16.088 9.736 4.844 1.00 31.26 O HETATM 2349 O HOH 29 17.321 3.066 -18.026 1.00 29.46 O HETATM 2350 O HOH 30 21.101 14.607 6.086 1.00 26.69 O HETATM 2351 O HOH 31 16.021 27.787 -14.121 1.00 39.61 O HETATM 2352 O HOH 32 12.819 20.262 -11.250 1.00 33.11 O HETATM 2353 O HOH 33 21.368 2.689 -0.065 1.00 28.97 O HETATM 2354 O HOH 34 21.503 24.718 -17.445 1.00 34.61 O HETATM 2355 O HOH 35 14.762 13.741 -13.145 1.00 26.59 O HETATM 2356 O HOH 36 30.809 9.104 5.491 1.00 35.89 O HETATM 2357 O HOH 37 39.624 19.810 10.157 1.00 47.19 O HETATM 2358 O HOH 38 27.007 13.745 7.826 1.00 38.60 O HETATM 2359 O HOH 39 8.503 13.213 -16.013 1.00 42.62 O HETATM 2360 O HOH 40 13.201 14.422 -23.360 1.00 33.50 O HETATM 2361 O HOH 41 18.154 24.948 -14.561 1.00 28.75 O HETATM 2362 O HOH 42 25.269 1.354 -10.415 1.00 31.23 O HETATM 2363 O HOH 43 19.294 32.590 -6.890 1.00 33.90 O HETATM 2364 O HOH 44 23.439 22.576 -27.892 1.00 33.31 O HETATM 2365 O HOH 45 34.184 20.928 -1.321 1.00 36.65 O HETATM 2366 O HOH 46 27.368 18.002 -30.398 1.00 39.77 O HETATM 2367 O HOH 47 25.847 26.519 -27.600 1.00 38.80 O HETATM 2368 O HOH 48 11.214 21.033 -13.682 1.00 38.23 O HETATM 2369 O HOH 49 16.842 3.889 -15.280 1.00 30.04 O HETATM 2370 O HOH 50 35.102 22.284 -17.120 1.00 36.04 O HETATM 2371 O HOH 51 9.598 28.898 -9.891 1.00 47.50 O HETATM 2372 O HOH 52 23.605 30.702 -1.006 1.00 44.65 O HETATM 2373 O HOH 53 14.699 15.590 -5.197 1.00 30.30 O HETATM 2374 O HOH 54 15.740 12.513 -2.652 1.00 43.57 O HETATM 2375 O HOH 55 32.703 1.022 -1.839 1.00 37.85 O HETATM 2376 O HOH 56 26.287 9.120 -32.887 1.00 39.55 O HETATM 2377 O HOH 57 20.708 25.926 -15.265 1.00 37.07 O HETATM 2378 O HOH 58 26.871 21.452 -22.794 1.00 36.87 O HETATM 2379 O HOH 59 27.588 24.868 -19.222 1.00 35.70 O HETATM 2380 O HOH 60 35.186 19.754 -10.439 1.00 40.96 O HETATM 2381 O HOH 61 28.540 22.835 -21.201 1.00 31.74 O HETATM 2382 O HOH 62 23.286 31.361 1.650 1.00 35.74 O HETATM 2383 O HOH 63 29.469 25.510 7.845 1.00 48.37 O HETATM 2384 O HOH 64 34.550 7.384 -3.610 1.00 35.07 O HETATM 2385 O HOH 65 21.693 0.142 -0.936 1.00 35.92 O HETATM 2386 O HOH 66 24.175 -2.437 0.899 1.00 45.28 O HETATM 2387 O HOH 67 22.542 2.631 -9.513 1.00 34.95 O HETATM 2388 O HOH 68 12.891 25.182 -15.729 1.00 40.36 O HETATM 2389 O HOH 69 36.142 23.716 -10.936 1.00 46.02 O HETATM 2390 O HOH 70 15.500 21.751 -21.405 1.00 37.99 O HETATM 2391 O HOH 71 26.177 11.189 -31.316 1.00 29.10 O HETATM 2392 O HOH 72 18.806 33.991 -8.990 1.00 47.17 O HETATM 2393 O HOH 73 10.434 22.736 -9.367 1.00 38.98 O HETATM 2394 O HOH 74 23.489 18.778 -31.439 1.00 42.81 O HETATM 2395 O HOH 75 25.814 26.754 -18.575 1.00 37.52 O HETATM 2396 O HOH 76 7.292 22.034 -7.264 1.00 50.87 O HETATM 2397 O HOH 77 30.093 31.435 1.366 1.00 47.88 O HETATM 2398 O HOH 78 27.776 33.031 -5.151 1.00 42.71 O HETATM 2399 O HOH 79 31.306 28.279 -1.571 1.00 54.53 O HETATM 2400 O HOH 80 36.599 9.188 -13.814 1.00 42.58 O HETATM 2401 O HOH 81 11.751 11.424 -20.136 1.00 37.19 O HETATM 2402 O HOH 82 14.469 4.070 1.186 1.00 34.82 O HETATM 2403 O HOH 83 18.768 4.369 -6.869 1.00 30.84 O HETATM 2404 O HOH 84 13.016 8.105 -5.574 1.00 40.61 O HETATM 2405 O HOH 85 12.340 3.170 -7.424 1.00 43.66 O HETATM 2406 O HOH 86 10.002 5.069 -7.389 1.00 55.22 O HETATM 2407 O HOH 87 12.742 9.788 -3.500 1.00 39.87 O HETATM 2408 N TYR A 88 16.058 4.955 -4.935 1.00 0.24 N HETATM 2409 CA TYR A 88 15.874 6.239 -5.582 1.00 0.07 C HETATM 2410 C TYR A 88 15.587 6.072 -7.062 1.00 0.23 C HETATM 2411 O TYR A 88 16.238 5.282 -7.745 1.00 -0.39 O HETATM 2412 N TYR A 88 14.598 6.824 -7.534 1.00 -0.26 N HETATM 2413 CA TYR A 88 14.303 6.943 -8.952 1.00 0.15 C HETATM 2414 C TYR A 88 14.254 8.419 -9.365 1.00 0.21 C HETATM 2415 O TYR A 88 13.661 9.238 -8.657 1.00 -0.39 O HETATM 2416 N TYR A 88 14.830 8.754 -10.537 1.00 -0.25 N HETATM 2417 CA TYR A 88 14.747 10.146 -11.004 1.00 0.13 C HETATM 2418 C TYR A 88 13.336 10.560 -11.469 1.00 0.20 C HETATM 2419 O TYR A 88 13.124 11.722 -11.815 1.00 -0.39 O HETATM 2420 N TYR A 88 12.390 9.617 -11.491 1.00 -0.26 N HETATM 2421 CA TYR A 88 11.000 9.920 -11.850 1.00 0.16 C HETATM 2422 C TYR A 88 10.139 10.250 -10.623 1.00 0.21 C HETATM 2423 O TYR A 88 8.967 10.625 -10.755 1.00 -0.39 O HETATM 2424 N TYR A 88 10.721 10.098 -9.435 1.00 -0.26 N HETATM 2425 CA TYR A 88 9.999 10.323 -8.180 1.00 0.16 C HETATM 2426 CB TYR A 88 10.627 9.488 -7.064 1.00 0.12 C HETATM 2427 OG TYR A 88 9.749 9.347 -5.961 1.00 -0.27 O HETATM 2428 P TYR A 88 9.669 7.789 -5.549 1.00 0.20 P HETATM 2429 O1P TYR A 88 8.449 7.089 -6.335 1.00 -0.55 O HETATM 2430 O2P TYR A 88 11.057 7.061 -5.952 1.00 -0.55 O HETATM 2431 O3P TYR A 88 9.414 7.677 -3.963 1.00 -0.55 O HETATM 2432 H33 TYR A 88 11.550 9.982 -6.725 1.00 0.07 H HETATM 2433 H34 TYR A 88 10.869 8.490 -7.458 1.00 0.07 H HETATM 2434 C TYR A 88 9.995 11.804 -7.783 1.00 0.21 C HETATM 2435 O TYR A 88 11.020 12.477 -7.927 1.00 -0.39 O HETATM 2436 N TYR A 88 8.845 12.314 -7.284 1.00 -0.25 N HETATM 2437 CA TYR A 88 8.727 13.702 -6.813 1.00 0.13 C HETATM 2438 C TYR A 88 9.692 14.076 -5.679 1.00 0.20 C HETATM 2439 O TYR A 88 10.211 13.198 -4.987 1.00 -0.39 O HETATM 2440 N TYR A 88 9.917 15.377 -5.503 1.00 -0.27 N HETATM 2441 CA TYR A 88 10.773 15.898 -4.433 1.00 0.12 C HETATM 2442 C TYR A 88 10.044 15.933 -3.090 1.00 0.06 C HETATM 2443 O TYR A 88 9.279 16.887 -2.787 1.00 -0.57 O HETATM 2444 O44 TYR A 88 10.211 14.990 -2.271 1.00 -0.57 O HETATM 2445 CB TYR A 88 11.303 17.291 -4.796 1.00 0.08 C HETATM 2446 OG TYR A 88 12.191 17.223 -5.901 1.00 -0.39 O HETATM 2447 H46 TYR A 88 12.927 16.664 -5.681 1.00 0.21 H HETATM 2448 H44 TYR A 88 11.837 17.710 -3.930 1.00 0.06 H HETATM 2449 H45 TYR A 88 10.455 17.943 -5.055 1.00 0.06 H HETATM 2450 H43 TYR A 88 11.634 15.221 -4.331 1.00 0.07 H HETATM 2451 H42 TYR A 88 9.483 16.026 -6.128 1.00 0.19 H HETATM 2452 CB TYR A 88 7.278 13.779 -6.306 1.00 -0.01 C HETATM 2453 CG TYR A 88 6.564 12.699 -7.025 1.00 -0.03 C HETATM 2454 CD TYR A 88 7.561 11.594 -7.165 1.00 0.04 C HETATM 2455 H40 TYR A 88 7.555 10.942 -6.279 1.00 0.05 H HETATM 2456 H41 TYR A 88 7.361 10.993 -8.064 1.00 0.05 H HETATM 2457 H38 TYR A 88 6.234 13.048 -8.014 1.00 0.03 H HETATM 2458 H39 TYR A 88 5.692 12.361 -6.445 1.00 0.03 H HETATM 2459 H36 TYR A 88 6.837 14.758 -6.543 1.00 0.03 H HETATM 2460 H37 TYR A 88 7.239 13.612 -5.220 1.00 0.03 H HETATM 2461 H35 TYR A 88 8.886 14.396 -7.652 1.00 0.08 H HETATM 2462 H32 TYR A 88 8.957 10.000 -8.318 1.00 0.08 H HETATM 2463 H31 TYR A 88 11.681 9.822 -9.398 1.00 0.19 H HETATM 2464 CB TYR A 88 10.343 8.748 -12.607 1.00 0.09 C HETATM 2465 OG1 TYR A 88 10.227 7.616 -11.736 1.00 -0.39 O HETATM 2466 H27 TYR A 88 11.091 7.356 -11.440 1.00 0.21 H HETATM 2467 CG2 TYR A 88 11.163 8.366 -13.833 1.00 -0.03 C HETATM 2468 H28 TYR A 88 10.675 7.530 -14.355 1.00 0.03 H HETATM 2469 H29 TYR A 88 12.173 8.063 -13.519 1.00 0.03 H HETATM 2470 H30 TYR A 88 11.234 9.230 -14.511 1.00 0.03 H HETATM 2471 H26 TYR A 88 9.338 9.055 -12.933 1.00 0.06 H HETATM 2472 H25 TYR A 88 11.010 10.799 -12.511 1.00 0.08 H HETATM 2473 H24 TYR A 88 12.636 8.677 -11.256 1.00 0.19 H HETATM 2474 CB TYR A 88 15.708 10.172 -12.203 1.00 -0.01 C HETATM 2475 CG TYR A 88 15.666 8.764 -12.732 1.00 -0.03 C HETATM 2476 CD TYR A 88 15.542 7.887 -11.502 1.00 0.04 C HETATM 2477 H22 TYR A 88 14.959 6.980 -11.722 1.00 0.05 H HETATM 2478 H23 TYR A 88 16.533 7.602 -11.119 1.00 0.05 H HETATM 2479 H20 TYR A 88 16.589 8.530 -13.282 1.00 0.03 H HETATM 2480 H21 TYR A 88 14.799 8.626 -13.395 1.00 0.03 H HETATM 2481 H18 TYR A 88 16.726 10.439 -11.883 1.00 0.03 H HETATM 2482 H19 TYR A 88 15.364 10.887 -12.965 1.00 0.03 H HETATM 2483 H17 TYR A 88 15.081 10.834 -10.213 1.00 0.08 H HETATM 2484 CB TYR A 88 12.967 6.282 -9.274 1.00 0.08 C HETATM 2485 OG TYR A 88 12.490 6.691 -10.545 1.00 -0.39 O HETATM 2486 H16 TYR A 88 11.659 6.266 -10.722 1.00 0.21 H HETATM 2487 H14 TYR A 88 12.232 6.564 -8.506 1.00 0.06 H HETATM 2488 H15 TYR A 88 13.097 5.190 -9.273 1.00 0.06 H HETATM 2489 H13 TYR A 88 15.097 6.439 -9.522 1.00 0.08 H HETATM 2490 H12 TYR A 88 14.031 7.331 -6.884 1.00 0.19 H HETATM 2491 CB TYR A 88 17.103 7.126 -5.393 1.00 0.04 C HETATM 2492 CG TYR A 88 16.917 8.501 -6.004 1.00 -0.05 C HETATM 2493 CD1 TYR A 88 16.284 9.518 -5.294 1.00 -0.07 C HETATM 2494 CE1 TYR A 88 16.105 10.780 -5.851 1.00 -0.04 C HETATM 2495 CZ TYR A 88 16.544 11.032 -7.143 1.00 0.08 C HETATM 2496 CE2 TYR A 88 17.161 10.036 -7.879 1.00 -0.04 C HETATM 2497 CD2 TYR A 88 17.342 8.769 -7.305 1.00 -0.07 C HETATM 2498 H8 TYR A 88 17.820 7.986 -7.882 1.00 0.05 H HETATM 2499 H10 TYR A 88 17.501 10.233 -8.889 1.00 0.05 H HETATM 2500 OH TYR A 88 16.361 12.278 -7.702 1.00 -0.34 O HETATM 2501 H11 TYR A 88 15.825 12.198 -8.482 1.00 0.25 H HETATM 2502 H9 TYR A 88 15.624 11.564 -5.277 1.00 0.05 H HETATM 2503 H7 TYR A 88 15.925 9.323 -4.290 1.00 0.05 H HETATM 2504 H5 TYR A 88 17.967 6.640 -5.870 1.00 0.05 H HETATM 2505 H6 TYR A 88 17.295 7.240 -4.316 1.00 0.05 H HETATM 2506 H4 TYR A 88 15.011 6.737 -5.116 1.00 0.11 H HETATM 2507 H1 TYR A 88 16.247 5.097 -3.955 1.00 0.20 H HETATM 2508 H2 TYR A 88 16.834 4.473 -5.360 1.00 0.20 H HETATM 2509 H3 TYR A 88 15.221 4.403 -5.040 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2408 2409 2507 2508 2509 CONECT 2409 2408 2410 2491 2506 CONECT 2410 2409 2411 2412 CONECT 2411 2410 CONECT 2412 2410 2413 2490 CONECT 2413 2412 2414 2484 2489 CONECT 2414 2413 2415 2416 CONECT 2415 2414 CONECT 2416 2414 2417 2476 CONECT 2417 2416 2418 2474 2483 CONECT 2418 2417 2419 2420 CONECT 2419 2418 CONECT 2420 2418 2421 2473 CONECT 2421 2420 2422 2464 2472 CONECT 2422 2421 2423 2424 CONECT 2423 2422 CONECT 2424 2422 2425 2463 CONECT 2425 2424 2426 2434 2462 CONECT 2426 2425 2427 2432 2433 CONECT 2427 2426 2428 CONECT 2428 2427 2429 2430 2431 CONECT 2429 2428 CONECT 2430 2428 CONECT 2431 2428 CONECT 2432 2426 CONECT 2433 2426 CONECT 2434 2425 2435 2436 CONECT 2435 2434 CONECT 2436 2434 2437 2454 CONECT 2437 2436 2438 2452 2461 CONECT 2438 2437 2439 2440 CONECT 2439 2438 CONECT 2440 2438 2441 2451 CONECT 2441 2440 2442 2445 2450 CONECT 2442 2441 2443 2444 CONECT 2443 2442 CONECT 2444 2442 CONECT 2445 2441 2446 2448 2449 CONECT 2446 2445 2447 CONECT 2447 2446 CONECT 2448 2445 CONECT 2449 2445 CONECT 2450 2441 CONECT 2451 2440 CONECT 2452 2437 2453 2459 2460 CONECT 2453 2452 2454 2457 2458 CONECT 2454 2436 2453 2455 2456 CONECT 2455 2454 CONECT 2456 2454 CONECT 2457 2453 CONECT 2458 2453 CONECT 2459 2452 CONECT 2460 2452 CONECT 2461 2437 CONECT 2462 2425 CONECT 2463 2424 CONECT 2464 2421 2465 2467 2471 CONECT 2465 2464 2466 CONECT 2466 2465 CONECT 2467 2464 2468 2469 2470 CONECT 2468 2467 CONECT 2469 2467 CONECT 2470 2467 CONECT 2471 2464 CONECT 2472 2421 CONECT 2473 2420 CONECT 2474 2417 2475 2481 2482 CONECT 2475 2474 2476 2479 2480 CONECT 2476 2416 2475 2477 2478 CONECT 2477 2476 CONECT 2478 2476 CONECT 2479 2475 CONECT 2480 2475 CONECT 2481 2474 CONECT 2482 2474 CONECT 2483 2417 CONECT 2484 2413 2485 2487 2488 CONECT 2485 2484 2486 CONECT 2486 2485 CONECT 2487 2484 CONECT 2488 2484 CONECT 2489 2413 CONECT 2490 2412 CONECT 2491 2409 2492 2504 2505 CONECT 2492 2491 2493 2497 CONECT 2493 2492 2494 2503 CONECT 2494 2493 2495 2502 CONECT 2495 2494 2496 2500 CONECT 2496 2495 2497 2499 CONECT 2497 2492 2496 2498 CONECT 2498 2497 CONECT 2499 2496 CONECT 2500 2495 2501 CONECT 2501 2500 CONECT 2502 2494 CONECT 2503 2493 CONECT 2504 2491 CONECT 2505 2491 CONECT 2506 2409 CONECT 2507 2408 CONECT 2508 2408 CONECT 2509 2408 MASTER 0 0 0 0 0 0 0 0 2508 1 106 11 END
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Entry Information
PDB ID
3d9m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CTD INTERACTING DOMAIN of RNA processing factor SCAF8
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=330uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 22659-22669
Ligand Properties
Formula
C
3
2
H
5
0
N
7
O
1
6
P
Molecular Weight
819.750
Exact Mass
819.305
No. of atoms
106
No. of bonds
108
Polar Surface Area
386.39
LOGP Value
-6.82 (
Computed with XLOGP3
)
-4.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)COP(O)(O)O)[C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+]
InChI String
InChI=1S/C32H50N7O16P/c1-16(42)25(29(47)36-22(15-55-56(52,53)54)31(49)39-11-2-4-23(39)27(45)35-21(14-41)32(50)51)37-28(46)24-5-3-10-38(24)30(48)20(13-40)34-26(44)19(33)12-17-6-8-18(43)9-7-17/h6-9,16,19-25,40-43,52-54,56H,2-5,10-15,33H2,1H3,(H,34,44)(H,35,45)(H,36,47)(H,37,46)(H,50,51)/p+1/t16-,19+,20+,21+,22+,23+,24+,25+/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):
Q9UPN6
P24928
Entrez Gene ID
NCBI Entrez Gene ID:
22828
5430
ASD
Information of known allosteric effects of PDB entries
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