Browse entries in the PDBbind-CN Database
HEADER 3D9K_COMPLEX COMPND 3D9K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 141 MET GLU ALA VAL LYS THR PHE ASN SER GLU LEU TYR SER SEQRES 2 B 141 LEU ASN ASP TYR LYS PRO PRO ILE SER LYS ALA LYS MET SEQRES 3 B 141 THR GLN ILE THR LYS ALA ALA ILE LYS ALA ILE LYS PHE SEQRES 4 B 141 TYR LYS HIS VAL VAL GLN SER VAL GLU LYS PHE ILE GLN SEQRES 5 B 141 LYS CYS LYS PRO GLU TYR LYS VAL PRO GLY LEU TYR VAL SEQRES 6 B 141 ILE ASP SER ILE VAL ARG GLN SER ARG HIS GLN PHE GLY SEQRES 7 B 141 GLN GLU LYS ASP VAL PHE ALA PRO ARG PHE SER ASN ASN SEQRES 8 B 141 ILE ILE SER THR PHE GLN ASN LEU TYR ARG CYS PRO GLY SEQRES 9 B 141 ASP ASP LYS SER LYS ILE VAL ARG VAL LEU ASN LEU TRP SEQRES 10 B 141 GLN LYS ASN ASN VAL PHE LYS SER GLU ILE ILE GLN PRO SEQRES 11 B 141 LEU LEU ASP MET ALA ALA ALA LEU GLU HIS HIS HET TYR A 184 140 ATOM 1 N MET B 1 32.407 25.732 8.227 1.00 48.92 N ATOM 2 CA MET B 1 31.730 25.046 7.091 1.00 49.07 C ATOM 3 C MET B 1 31.170 23.689 7.529 1.00 47.66 C ATOM 4 O MET B 1 31.420 22.657 6.889 1.00 47.73 O ATOM 5 CB MET B 1 32.685 24.920 5.893 1.00 49.05 C ATOM 6 CG MET B 1 33.127 26.279 5.316 1.00 50.34 C ATOM 7 SD MET B 1 34.065 26.238 3.755 1.00 52.19 S ATOM 8 CE MET B 1 33.026 25.214 2.728 1.00 49.25 C ATOM 9 HA MET B 1 30.882 25.651 6.770 1.00 0.00 H ATOM 10 HB2 MET B 1 33.573 24.376 6.215 1.00 0.00 H ATOM 11 HB3 MET B 1 32.181 24.358 5.107 1.00 0.00 H ATOM 12 HG2 MET B 1 33.751 26.769 6.064 1.00 0.00 H ATOM 13 HG3 MET B 1 32.230 26.874 5.147 1.00 0.00 H ATOM 14 HE1 MET B 1 32.917 24.232 3.188 1.00 0.00 H ATOM 15 HE2 MET B 1 32.046 25.680 2.627 1.00 0.00 H ATOM 16 HE3 MET B 1 33.482 25.107 1.744 1.00 0.00 H ATOM 17 HN3 MET B 1 33.191 25.141 8.570 1.00 0.00 H ATOM 18 HN2 MET B 1 31.723 25.884 8.996 1.00 0.00 H ATOM 19 HN1 MET B 1 32.778 26.649 7.905 1.00 0.00 H ATOM 20 N GLU B 2 30.408 23.712 8.623 1.00 46.21 N ATOM 21 CA GLU B 2 29.843 22.501 9.230 1.00 45.00 C ATOM 22 C GLU B 2 28.822 21.822 8.312 1.00 43.70 C ATOM 23 O GLU B 2 28.861 20.605 8.120 1.00 43.30 O ATOM 24 CB GLU B 2 29.251 22.805 10.623 1.00 45.15 C ATOM 25 CG GLU B 2 28.117 21.872 11.070 1.00 46.15 C ATOM 26 CD GLU B 2 28.365 21.181 12.412 1.00 48.57 C ATOM 27 OE1 GLU B 2 29.376 21.479 13.092 1.00 48.84 O ATOM 28 OE2 GLU B 2 27.532 20.320 12.786 1.00 49.36 O ATOM 29 HA GLU B 2 30.659 21.791 9.366 1.00 0.00 H ATOM 30 HB2 GLU B 2 30.056 22.732 11.355 1.00 0.00 H ATOM 31 HB3 GLU B 2 28.864 23.824 10.610 1.00 0.00 H ATOM 32 HG2 GLU B 2 27.203 22.460 11.152 1.00 0.00 H ATOM 33 HG3 GLU B 2 27.986 21.103 10.308 1.00 0.00 H ATOM 34 H GLU B 2 30.205 24.630 9.067 1.00 0.00 H ATOM 35 N ALA B 3 27.931 22.622 7.734 1.00 42.27 N ATOM 36 CA ALA B 3 26.883 22.118 6.847 1.00 40.89 C ATOM 37 C ALA B 3 27.428 21.260 5.695 1.00 39.94 C ATOM 38 O ALA B 3 26.847 20.231 5.356 1.00 39.54 O ATOM 39 CB ALA B 3 26.049 23.268 6.318 1.00 40.83 C ATOM 40 HA ALA B 3 26.252 21.459 7.443 1.00 0.00 H ATOM 41 HB1 ALA B 3 25.588 23.795 7.153 1.00 0.00 H ATOM 42 HB2 ALA B 3 26.689 23.954 5.763 1.00 0.00 H ATOM 43 HB3 ALA B 3 25.273 22.879 5.659 1.00 0.00 H ATOM 44 H ALA B 3 27.981 23.644 7.920 1.00 0.00 H ATOM 45 N VAL B 4 28.545 21.686 5.111 1.00 39.23 N ATOM 46 CA VAL B 4 29.205 20.945 4.020 1.00 38.80 C ATOM 47 C VAL B 4 29.712 19.577 4.487 1.00 38.04 C ATOM 48 O VAL B 4 29.554 18.575 3.783 1.00 37.87 O ATOM 49 CB VAL B 4 30.392 21.746 3.415 1.00 39.17 C ATOM 50 CG1 VAL B 4 31.151 20.918 2.358 1.00 38.98 C ATOM 51 CG2 VAL B 4 29.893 23.047 2.798 1.00 38.65 C ATOM 52 HA VAL B 4 28.446 20.799 3.251 1.00 0.00 H ATOM 53 HB VAL B 4 31.084 21.975 4.225 1.00 0.00 H ATOM 54 HG11 VAL B 4 31.545 20.013 2.821 1.00 0.00 H ATOM 55 HG12 VAL B 4 30.469 20.648 1.552 1.00 0.00 H ATOM 56 HG13 VAL B 4 31.974 21.510 1.957 1.00 0.00 H ATOM 57 HG21 VAL B 4 29.176 22.822 2.008 1.00 0.00 H ATOM 58 HG22 VAL B 4 29.411 23.651 3.567 1.00 0.00 H ATOM 59 HG23 VAL B 4 30.736 23.596 2.379 1.00 0.00 H ATOM 60 H VAL B 4 28.970 22.578 5.437 1.00 0.00 H ATOM 61 N LYS B 5 30.302 19.544 5.678 1.00 37.31 N ATOM 62 CA LYS B 5 30.863 18.310 6.237 1.00 36.63 C ATOM 63 C LYS B 5 29.793 17.249 6.529 1.00 36.37 C ATOM 64 O LYS B 5 30.060 16.062 6.435 1.00 35.92 O ATOM 65 CB LYS B 5 31.674 18.621 7.491 1.00 36.62 C ATOM 66 CG LYS B 5 32.900 19.484 7.221 1.00 36.28 C ATOM 67 CD LYS B 5 33.739 19.595 8.461 1.00 36.66 C ATOM 68 CE LYS B 5 34.889 20.567 8.266 1.00 37.53 C ATOM 69 NZ LYS B 5 35.799 20.524 9.434 1.00 36.78 N ATOM 70 HA LYS B 5 31.521 17.885 5.479 1.00 0.00 H ATOM 71 HB2 LYS B 5 31.031 19.146 8.197 1.00 0.00 H ATOM 72 HB3 LYS B 5 32.004 17.680 7.932 1.00 0.00 H ATOM 73 HG2 LYS B 5 33.491 19.031 6.425 1.00 0.00 H ATOM 74 HG3 LYS B 5 32.579 20.479 6.913 1.00 0.00 H ATOM 75 HD2 LYS B 5 33.114 19.945 9.283 1.00 0.00 H ATOM 76 HD3 LYS B 5 34.142 18.612 8.706 1.00 0.00 H ATOM 77 HE2 LYS B 5 34.493 21.576 8.155 1.00 0.00 H ATOM 78 HE3 LYS B 5 35.443 20.294 7.368 1.00 0.00 H ATOM 79 HZ1 LYS B 5 35.273 20.786 10.292 1.00 0.00 H ATOM 80 HZ2 LYS B 5 36.180 19.562 9.540 1.00 0.00 H ATOM 81 HZ3 LYS B 5 36.581 21.194 9.287 1.00 0.00 H ATOM 82 H LYS B 5 30.368 20.422 6.231 1.00 0.00 H ATOM 83 N THR B 6 28.586 17.695 6.876 1.00 36.19 N ATOM 84 CA THR B 6 27.444 16.804 7.079 1.00 36.07 C ATOM 85 C THR B 6 26.945 16.249 5.733 1.00 35.67 C ATOM 86 O THR B 6 26.663 15.051 5.601 1.00 35.39 O ATOM 87 CB THR B 6 26.309 17.537 7.844 1.00 36.44 C ATOM 88 OG1 THR B 6 26.807 17.998 9.113 1.00 36.95 O ATOM 89 CG2 THR B 6 25.109 16.630 8.064 1.00 36.51 C ATOM 90 HA THR B 6 27.765 15.960 7.689 1.00 0.00 H ATOM 91 HB THR B 6 25.983 18.384 7.240 1.00 0.00 H ATOM 92 HG1 THR B 6 27.561 18.621 8.963 1.00 0.00 H ATOM 93 HG23 THR B 6 24.736 16.284 7.100 1.00 0.00 H ATOM 94 HG21 THR B 6 25.408 15.774 8.668 1.00 0.00 H ATOM 95 HG22 THR B 6 24.326 17.185 8.581 1.00 0.00 H ATOM 96 H THR B 6 28.451 18.718 7.008 1.00 0.00 H ATOM 97 N PHE B 7 26.853 17.123 4.736 1.00 35.00 N ATOM 98 CA PHE B 7 26.613 16.678 3.367 1.00 34.47 C ATOM 99 C PHE B 7 27.659 15.657 2.891 1.00 33.95 C ATOM 100 O PHE B 7 27.296 14.622 2.359 1.00 34.27 O ATOM 101 CB PHE B 7 26.521 17.836 2.366 1.00 34.21 C ATOM 102 CG PHE B 7 26.410 17.360 0.953 1.00 34.33 C ATOM 103 CD1 PHE B 7 25.266 16.685 0.533 1.00 32.61 C ATOM 104 CD2 PHE B 7 27.472 17.504 0.066 1.00 34.08 C ATOM 105 CE1 PHE B 7 25.165 16.194 -0.764 1.00 33.16 C ATOM 106 CE2 PHE B 7 27.378 17.012 -1.230 1.00 34.60 C ATOM 107 CZ PHE B 7 26.223 16.340 -1.633 1.00 33.84 C ATOM 108 HA PHE B 7 25.640 16.187 3.397 1.00 0.00 H ATOM 109 HB2 PHE B 7 25.642 18.436 2.604 1.00 0.00 H ATOM 110 HB3 PHE B 7 27.416 18.452 2.459 1.00 0.00 H ATOM 111 HD2 PHE B 7 28.384 18.006 0.390 1.00 0.00 H ATOM 112 HE2 PHE B 7 28.203 17.150 -1.929 1.00 0.00 H ATOM 113 HZ PHE B 7 26.158 15.929 -2.640 1.00 0.00 H ATOM 114 HE1 PHE B 7 24.252 15.696 -1.091 1.00 0.00 H ATOM 115 HD1 PHE B 7 24.440 16.540 1.229 1.00 0.00 H ATOM 116 H PHE B 7 26.954 18.139 4.934 1.00 0.00 H ATOM 117 N ASN B 8 28.939 15.963 3.094 1.00 33.33 N ATOM 118 CA ASN B 8 30.057 15.109 2.695 1.00 32.75 C ATOM 119 C ASN B 8 29.956 13.709 3.292 1.00 32.83 C ATOM 120 O ASN B 8 30.178 12.714 2.601 1.00 32.52 O ATOM 121 CB ASN B 8 31.384 15.755 3.116 1.00 32.98 C ATOM 122 CG ASN B 8 31.892 16.777 2.112 1.00 33.55 C ATOM 123 OD1 ASN B 8 31.451 16.810 0.964 1.00 35.51 O ATOM 124 ND2 ASN B 8 32.852 17.590 2.529 1.00 34.03 N ATOM 125 HA ASN B 8 30.018 15.008 1.610 1.00 0.00 H ATOM 126 HB2 ASN B 8 31.240 16.252 4.075 1.00 0.00 H ATOM 127 HB3 ASN B 8 32.134 14.971 3.224 1.00 0.00 H ATOM 128 HD22 ASN B 8 33.196 17.529 3.508 1.00 0.00 H ATOM 129 HD21 ASN B 8 33.261 18.289 1.877 1.00 0.00 H ATOM 130 H ASN B 8 29.157 16.864 3.565 1.00 0.00 H ATOM 131 N SER B 9 29.632 13.652 4.586 1.00 32.37 N ATOM 132 CA SER B 9 29.306 12.411 5.262 1.00 32.35 C ATOM 133 C SER B 9 28.146 11.619 4.599 1.00 32.50 C ATOM 134 O SER B 9 28.271 10.417 4.375 1.00 32.08 O ATOM 135 CB SER B 9 29.024 12.688 6.744 1.00 32.39 C ATOM 136 OG SER B 9 30.230 13.023 7.421 1.00 30.69 O ATOM 137 HA SER B 9 30.177 11.762 5.172 1.00 0.00 H ATOM 138 HB2 SER B 9 28.590 11.798 7.200 1.00 0.00 H ATOM 139 HB3 SER B 9 28.322 13.517 6.828 1.00 0.00 H ATOM 140 HG SER B 9 30.624 13.832 7.009 1.00 0.00 H ATOM 141 H SER B 9 29.613 14.536 5.133 1.00 0.00 H ATOM 142 N GLU B 10 27.042 12.294 4.285 1.00 32.48 N ATOM 143 CA GLU B 10 25.863 11.648 3.699 1.00 33.04 C ATOM 144 C GLU B 10 26.181 11.098 2.320 1.00 33.07 C ATOM 145 O GLU B 10 25.883 9.934 2.027 1.00 32.88 O ATOM 146 CB GLU B 10 24.684 12.621 3.594 1.00 33.36 C ATOM 147 CG GLU B 10 23.955 12.854 4.914 1.00 34.88 C ATOM 148 CD GLU B 10 23.408 11.575 5.535 1.00 35.80 C ATOM 149 OE1 GLU B 10 23.045 10.628 4.806 1.00 39.37 O ATOM 150 OE2 GLU B 10 23.349 11.513 6.766 1.00 35.59 O ATOM 151 HA GLU B 10 25.583 10.829 4.362 1.00 0.00 H ATOM 152 HB2 GLU B 10 25.060 13.579 3.236 1.00 0.00 H ATOM 153 HB3 GLU B 10 23.971 12.220 2.874 1.00 0.00 H ATOM 154 HG2 GLU B 10 24.651 13.310 5.618 1.00 0.00 H ATOM 155 HG3 GLU B 10 23.123 13.535 4.734 1.00 0.00 H ATOM 156 H GLU B 10 27.015 13.318 4.462 1.00 0.00 H ATOM 157 N LEU B 11 26.818 11.941 1.511 1.00 32.12 N ATOM 158 CA LEU B 11 27.253 11.596 0.168 1.00 32.24 C ATOM 159 C LEU B 11 28.157 10.379 0.180 1.00 31.97 C ATOM 160 O LEU B 11 27.851 9.379 -0.469 1.00 32.37 O ATOM 161 CB LEU B 11 27.987 12.789 -0.470 1.00 32.55 C ATOM 162 CG LEU B 11 28.439 12.648 -1.929 1.00 33.21 C ATOM 163 CD1 LEU B 11 27.294 12.173 -2.875 1.00 31.39 C ATOM 164 CD2 LEU B 11 29.028 13.960 -2.407 1.00 31.85 C ATOM 165 HA LEU B 11 26.369 11.356 -0.423 1.00 0.00 H ATOM 166 HB2 LEU B 11 27.319 13.649 -0.417 1.00 0.00 H ATOM 167 HB3 LEU B 11 28.876 12.983 0.130 1.00 0.00 H ATOM 168 HG LEU B 11 29.202 11.870 -1.964 1.00 0.00 H ATOM 169 HD21 LEU B 11 28.273 14.743 -2.335 1.00 0.00 H ATOM 170 HD22 LEU B 11 29.884 14.220 -1.785 1.00 0.00 H ATOM 171 HD23 LEU B 11 29.348 13.857 -3.444 1.00 0.00 H ATOM 172 HD11 LEU B 11 26.931 11.200 -2.544 1.00 0.00 H ATOM 173 HD12 LEU B 11 26.478 12.896 -2.847 1.00 0.00 H ATOM 174 HD13 LEU B 11 27.675 12.092 -3.893 1.00 0.00 H ATOM 175 H LEU B 11 27.016 12.901 1.859 1.00 0.00 H ATOM 176 N TYR B 12 29.243 10.453 0.946 1.00 31.68 N ATOM 177 CA TYR B 12 30.217 9.348 1.037 1.00 32.09 C ATOM 178 C TYR B 12 29.622 8.036 1.568 1.00 31.68 C ATOM 179 O TYR B 12 30.093 6.965 1.216 1.00 31.68 O ATOM 180 CB TYR B 12 31.466 9.748 1.865 1.00 32.17 C ATOM 181 CG TYR B 12 32.648 8.861 1.576 1.00 32.82 C ATOM 182 CD1 TYR B 12 32.887 7.708 2.333 1.00 32.17 C ATOM 183 CD2 TYR B 12 33.497 9.127 0.503 1.00 33.73 C ATOM 184 CE1 TYR B 12 33.941 6.863 2.038 1.00 31.07 C ATOM 185 CE2 TYR B 12 34.570 8.273 0.206 1.00 32.23 C ATOM 186 CZ TYR B 12 34.780 7.150 0.980 1.00 32.16 C ATOM 187 OH TYR B 12 35.849 6.302 0.713 1.00 35.12 O ATOM 188 HA TYR B 12 30.522 9.157 0.008 1.00 0.00 H ATOM 189 HB3 TYR B 12 31.223 9.675 2.925 1.00 0.00 H ATOM 190 HB2 TYR B 12 31.732 10.777 1.625 1.00 0.00 H ATOM 191 HD2 TYR B 12 33.325 10.010 -0.113 1.00 0.00 H ATOM 192 HE2 TYR B 12 35.233 8.495 -0.630 1.00 0.00 H ATOM 193 HE1 TYR B 12 34.109 5.971 2.641 1.00 0.00 H ATOM 194 HD1 TYR B 12 32.230 7.472 3.170 1.00 0.00 H ATOM 195 HH TYR B 12 35.846 5.554 1.362 1.00 0.00 H ATOM 196 H TYR B 12 29.411 11.318 1.499 1.00 0.00 H ATOM 197 N SER B 13 28.583 8.128 2.392 1.00 31.74 N ATOM 198 CA SER B 13 27.966 6.950 2.998 1.00 32.15 C ATOM 199 C SER B 13 27.238 6.057 1.982 1.00 31.95 C ATOM 200 O SER B 13 26.822 4.958 2.330 1.00 32.04 O ATOM 201 CB SER B 13 27.021 7.343 4.141 1.00 32.13 C ATOM 202 OG SER B 13 25.792 7.852 3.625 1.00 35.41 O ATOM 203 HA SER B 13 28.787 6.359 3.405 1.00 0.00 H ATOM 204 HB2 SER B 13 27.498 8.109 4.753 1.00 0.00 H ATOM 205 HB3 SER B 13 26.816 6.466 4.754 1.00 0.00 H ATOM 206 HG SER B 13 25.974 8.651 3.070 1.00 0.00 H ATOM 207 H SER B 13 28.197 9.068 2.612 1.00 0.00 H ATOM 208 N LEU B 14 27.097 6.531 0.742 1.00 32.24 N ATOM 209 CA LEU B 14 26.663 5.705 -0.396 1.00 32.88 C ATOM 210 C LEU B 14 27.522 4.456 -0.555 1.00 32.96 C ATOM 211 O LEU B 14 27.014 3.396 -0.930 1.00 33.64 O ATOM 212 CB LEU B 14 26.713 6.494 -1.710 1.00 32.63 C ATOM 213 CG LEU B 14 25.587 7.480 -2.043 1.00 34.26 C ATOM 214 CD1 LEU B 14 25.900 8.183 -3.343 1.00 34.11 C ATOM 215 CD2 LEU B 14 24.219 6.794 -2.115 1.00 32.67 C ATOM 216 HA LEU B 14 25.636 5.410 -0.180 1.00 0.00 H ATOM 217 HB2 LEU B 14 27.642 7.064 -1.702 1.00 0.00 H ATOM 218 HB3 LEU B 14 26.744 5.763 -2.518 1.00 0.00 H ATOM 219 HG LEU B 14 25.530 8.211 -1.236 1.00 0.00 H ATOM 220 HD21 LEU B 14 24.239 6.028 -2.890 1.00 0.00 H ATOM 221 HD22 LEU B 14 23.993 6.334 -1.153 1.00 0.00 H ATOM 222 HD23 LEU B 14 23.455 7.534 -2.353 1.00 0.00 H ATOM 223 HD11 LEU B 14 26.841 8.725 -3.244 1.00 0.00 H ATOM 224 HD12 LEU B 14 25.986 7.446 -4.142 1.00 0.00 H ATOM 225 HD13 LEU B 14 25.099 8.883 -3.578 1.00 0.00 H ATOM 226 H LEU B 14 27.305 7.536 0.571 1.00 0.00 H ATOM 227 N ASN B 15 28.821 4.603 -0.290 1.00 33.11 N ATOM 228 CA ASN B 15 29.784 3.495 -0.281 1.00 32.94 C ATOM 229 C ASN B 15 29.479 2.378 0.732 1.00 33.17 C ATOM 230 O ASN B 15 30.053 1.288 0.653 1.00 32.87 O ATOM 231 CB ASN B 15 31.203 4.037 -0.055 1.00 32.68 C ATOM 232 CG ASN B 15 31.742 4.822 -1.251 1.00 33.12 C ATOM 233 OD1 ASN B 15 31.776 4.325 -2.370 1.00 35.56 O ATOM 234 ND2 ASN B 15 32.184 6.042 -1.007 1.00 32.96 N ATOM 235 HA ASN B 15 29.698 3.027 -1.262 1.00 0.00 H ATOM 236 HB2 ASN B 15 31.189 4.694 0.814 1.00 0.00 H ATOM 237 HB3 ASN B 15 31.869 3.196 0.137 1.00 0.00 H ATOM 238 HD22 ASN B 15 32.138 6.429 -0.043 1.00 0.00 H ATOM 239 HD21 ASN B 15 32.578 6.616 -1.779 1.00 0.00 H ATOM 240 H ASN B 15 29.172 5.559 -0.077 1.00 0.00 H ATOM 241 N ASP B 16 28.607 2.660 1.699 1.00 33.80 N ATOM 242 CA ASP B 16 28.217 1.665 2.708 1.00 34.13 C ATOM 243 C ASP B 16 27.016 0.838 2.242 1.00 34.73 C ATOM 244 O ASP B 16 26.594 -0.083 2.925 1.00 34.73 O ATOM 245 CB ASP B 16 27.873 2.332 4.037 1.00 34.12 C ATOM 246 CG ASP B 16 29.055 3.044 4.669 1.00 34.29 C ATOM 247 OD1 ASP B 16 30.065 2.389 4.954 1.00 35.24 O ATOM 248 OD2 ASP B 16 28.960 4.268 4.899 1.00 36.37 O ATOM 249 HA ASP B 16 29.073 1.005 2.846 1.00 0.00 H ATOM 250 HB2 ASP B 16 27.080 3.060 3.865 1.00 0.00 H ATOM 251 HB3 ASP B 16 27.518 1.567 4.728 1.00 0.00 H ATOM 252 H ASP B 16 28.190 3.612 1.741 1.00 0.00 H ATOM 253 N TYR B 17 26.471 1.183 1.077 1.00 35.87 N ATOM 254 CA TYR B 17 25.262 0.547 0.547 1.00 36.43 C ATOM 255 C TYR B 17 25.507 -0.021 -0.845 1.00 36.42 C ATOM 256 O TYR B 17 26.183 0.586 -1.666 1.00 36.70 O ATOM 257 CB TYR B 17 24.093 1.552 0.516 1.00 36.69 C ATOM 258 CG TYR B 17 23.686 2.063 1.885 1.00 36.88 C ATOM 259 CD1 TYR B 17 22.796 1.343 2.685 1.00 37.95 C ATOM 260 CD2 TYR B 17 24.208 3.253 2.388 1.00 38.02 C ATOM 261 CE1 TYR B 17 22.430 1.803 3.950 1.00 38.14 C ATOM 262 CE2 TYR B 17 23.851 3.728 3.648 1.00 37.30 C ATOM 263 CZ TYR B 17 22.960 2.995 4.421 1.00 38.37 C ATOM 264 OH TYR B 17 22.598 3.452 5.664 1.00 38.08 O ATOM 265 HA TYR B 17 24.998 -0.278 1.209 1.00 0.00 H ATOM 266 HB3 TYR B 17 23.231 1.063 0.062 1.00 0.00 H ATOM 267 HB2 TYR B 17 24.389 2.405 -0.095 1.00 0.00 H ATOM 268 HD2 TYR B 17 24.911 3.825 1.782 1.00 0.00 H ATOM 269 HE2 TYR B 17 24.266 4.664 4.023 1.00 0.00 H ATOM 270 HE1 TYR B 17 21.734 1.231 4.563 1.00 0.00 H ATOM 271 HD1 TYR B 17 22.380 0.406 2.315 1.00 0.00 H ATOM 272 HH TYR B 17 21.962 2.815 6.076 1.00 0.00 H ATOM 273 H TYR B 17 26.923 1.936 0.520 1.00 0.00 H ATOM 274 N LYS B 18 24.951 -1.192 -1.102 1.00 36.43 N ATOM 275 CA LYS B 18 25.028 -1.791 -2.418 1.00 36.73 C ATOM 276 C LYS B 18 23.891 -1.198 -3.231 1.00 36.96 C ATOM 277 O LYS B 18 22.744 -1.214 -2.780 1.00 37.45 O ATOM 278 CB LYS B 18 24.906 -3.317 -2.304 1.00 36.67 C ATOM 279 CG LYS B 18 24.900 -4.096 -3.618 1.00 36.86 C ATOM 280 CD LYS B 18 24.896 -5.591 -3.325 1.00 36.40 C ATOM 281 CE LYS B 18 24.268 -6.399 -4.480 1.00 35.83 C ATOM 282 NZ LYS B 18 24.405 -7.917 -4.104 1.00 34.71 N ATOM 283 HA LYS B 18 25.982 -1.585 -2.903 1.00 0.00 H ATOM 284 HB2 LYS B 18 25.747 -3.674 -1.710 1.00 0.00 H ATOM 285 HB3 LYS B 18 23.975 -3.538 -1.783 1.00 0.00 H ATOM 286 HG2 LYS B 18 24.010 -3.836 -4.190 1.00 0.00 H ATOM 287 HG3 LYS B 18 25.789 -3.841 -4.195 1.00 0.00 H ATOM 288 HD2 LYS B 18 25.923 -5.925 -3.178 1.00 0.00 H ATOM 289 HD3 LYS B 18 24.323 -5.771 -2.415 1.00 0.00 H ATOM 290 HE2 LYS B 18 24.796 -6.194 -5.411 1.00 0.00 H ATOM 291 HE3 LYS B 18 23.217 -6.134 -4.594 1.00 0.00 H ATOM 292 HZ1 LYS B 18 25.411 -8.156 -3.992 1.00 0.00 H ATOM 293 HZ2 LYS B 18 23.903 -8.099 -3.212 1.00 0.00 H ATOM 294 HZ3 LYS B 18 23.992 -8.499 -4.860 1.00 0.00 H ATOM 295 H LYS B 18 24.447 -1.694 -0.343 1.00 0.00 H ATOM 296 N PRO B 19 24.203 -0.621 -4.406 1.00 36.98 N ATOM 297 CA PRO B 19 23.135 -0.185 -5.306 1.00 37.14 C ATOM 298 C PRO B 19 22.219 -1.361 -5.689 1.00 37.06 C ATOM 299 O PRO B 19 22.696 -2.503 -5.787 1.00 37.22 O ATOM 300 CB PRO B 19 23.903 0.338 -6.518 1.00 37.20 C ATOM 301 CG PRO B 19 25.219 0.769 -5.955 1.00 36.62 C ATOM 302 CD PRO B 19 25.535 -0.299 -4.950 1.00 36.88 C ATOM 303 HA PRO B 19 22.474 0.560 -4.863 1.00 0.00 H ATOM 304 HD3 PRO B 19 25.988 -1.168 -5.426 1.00 0.00 H ATOM 305 HD2 PRO B 19 26.200 0.075 -4.172 1.00 0.00 H ATOM 306 HG3 PRO B 19 25.138 1.744 -5.475 1.00 0.00 H ATOM 307 HG2 PRO B 19 25.981 0.811 -6.733 1.00 0.00 H ATOM 308 HB2 PRO B 19 24.038 -0.449 -7.260 1.00 0.00 H ATOM 309 HB3 PRO B 19 23.382 1.180 -6.973 1.00 0.00 H ATOM 310 N PRO B 20 20.911 -1.101 -5.900 1.00 37.14 N ATOM 311 CA PRO B 20 20.188 0.180 -5.946 1.00 37.07 C ATOM 312 C PRO B 20 20.075 0.894 -4.600 1.00 37.00 C ATOM 313 O PRO B 20 19.803 0.265 -3.574 1.00 36.72 O ATOM 314 CB PRO B 20 18.795 -0.222 -6.443 1.00 37.02 C ATOM 315 CG PRO B 20 18.637 -1.637 -6.016 1.00 37.44 C ATOM 316 CD PRO B 20 20.000 -2.248 -6.124 1.00 37.25 C ATOM 317 HA PRO B 20 20.716 0.895 -6.577 1.00 0.00 H ATOM 318 HD3 PRO B 20 20.145 -3.015 -5.364 1.00 0.00 H ATOM 319 HD2 PRO B 20 20.156 -2.683 -7.111 1.00 0.00 H ATOM 320 HG3 PRO B 20 17.935 -2.155 -6.669 1.00 0.00 H ATOM 321 HG2 PRO B 20 18.279 -1.686 -4.988 1.00 0.00 H ATOM 322 HB2 PRO B 20 18.028 0.405 -5.988 1.00 0.00 H ATOM 323 HB3 PRO B 20 18.735 -0.138 -7.528 1.00 0.00 H ATOM 324 N ILE B 21 20.282 2.207 -4.619 1.00 37.23 N ATOM 325 CA ILE B 21 20.182 3.028 -3.415 1.00 37.43 C ATOM 326 C ILE B 21 18.719 3.328 -3.101 1.00 38.26 C ATOM 327 O ILE B 21 17.921 3.595 -4.004 1.00 38.57 O ATOM 328 CB ILE B 21 21.030 4.324 -3.543 1.00 37.59 C ATOM 329 CG1 ILE B 21 22.498 3.979 -3.885 1.00 36.82 C ATOM 330 CG2 ILE B 21 20.927 5.192 -2.278 1.00 37.45 C ATOM 331 CD1 ILE B 21 23.233 3.133 -2.823 1.00 35.95 C ATOM 332 HA ILE B 21 20.594 2.467 -2.576 1.00 0.00 H ATOM 333 HB ILE B 21 20.626 4.916 -4.364 1.00 0.00 H ATOM 334 HG12 ILE B 21 22.506 3.425 -4.824 1.00 0.00 H ATOM 335 HG13 ILE B 21 23.045 4.913 -4.011 1.00 0.00 H ATOM 336 HD11 ILE B 21 23.251 3.675 -1.877 1.00 0.00 H ATOM 337 HD12 ILE B 21 22.711 2.185 -2.691 1.00 0.00 H ATOM 338 HD13 ILE B 21 24.254 2.944 -3.154 1.00 0.00 H ATOM 339 HG21 ILE B 21 19.887 5.474 -2.116 1.00 0.00 H ATOM 340 HG22 ILE B 21 21.289 4.626 -1.420 1.00 0.00 H ATOM 341 HG23 ILE B 21 21.533 6.089 -2.404 1.00 0.00 H ATOM 342 H ILE B 21 20.523 2.665 -5.521 1.00 0.00 H ATOM 343 N SER B 22 18.377 3.261 -1.817 1.00 38.85 N ATOM 344 CA SER B 22 17.008 3.458 -1.344 1.00 39.34 C ATOM 345 C SER B 22 16.554 4.917 -1.428 1.00 39.30 C ATOM 346 O SER B 22 17.370 5.834 -1.360 1.00 39.77 O ATOM 347 CB SER B 22 16.879 2.956 0.099 1.00 39.20 C ATOM 348 OG SER B 22 17.565 3.826 0.990 1.00 40.02 O ATOM 349 HA SER B 22 16.357 2.883 -2.003 1.00 0.00 H ATOM 350 HB2 SER B 22 17.308 1.956 0.171 1.00 0.00 H ATOM 351 HB3 SER B 22 15.825 2.919 0.374 1.00 0.00 H ATOM 352 HG SER B 22 17.175 4.734 0.928 1.00 0.00 H ATOM 353 H SER B 22 19.119 3.059 -1.117 1.00 0.00 H ATOM 354 N LYS B 23 15.244 5.109 -1.593 1.00 39.43 N ATOM 355 CA LYS B 23 14.586 6.421 -1.523 1.00 39.22 C ATOM 356 C LYS B 23 14.987 7.162 -0.244 1.00 38.83 C ATOM 357 O LYS B 23 15.314 8.360 -0.280 1.00 38.01 O ATOM 358 CB LYS B 23 13.058 6.230 -1.579 1.00 39.56 C ATOM 359 CG LYS B 23 12.211 7.411 -1.081 1.00 39.80 C ATOM 360 CD LYS B 23 10.726 7.040 -1.010 1.00 40.00 C ATOM 361 CE LYS B 23 9.898 8.101 -0.282 1.00 40.73 C ATOM 362 NZ LYS B 23 8.517 7.597 0.084 1.00 40.84 N ATOM 363 HA LYS B 23 14.905 7.024 -2.373 1.00 0.00 H ATOM 364 HB2 LYS B 23 12.784 6.037 -2.616 1.00 0.00 H ATOM 365 HB3 LYS B 23 12.808 5.361 -0.971 1.00 0.00 H ATOM 366 HG2 LYS B 23 12.553 7.700 -0.087 1.00 0.00 H ATOM 367 HG3 LYS B 23 12.335 8.251 -1.765 1.00 0.00 H ATOM 368 HD2 LYS B 23 10.343 6.931 -2.024 1.00 0.00 H ATOM 369 HD3 LYS B 23 10.626 6.092 -0.481 1.00 0.00 H ATOM 370 HE2 LYS B 23 9.794 8.971 -0.930 1.00 0.00 H ATOM 371 HE3 LYS B 23 10.420 8.389 0.630 1.00 0.00 H ATOM 372 HZ1 LYS B 23 8.008 7.326 -0.781 1.00 0.00 H ATOM 373 HZ2 LYS B 23 8.605 6.770 0.709 1.00 0.00 H ATOM 374 HZ3 LYS B 23 7.993 8.350 0.575 1.00 0.00 H ATOM 375 H LYS B 23 14.650 4.277 -1.783 1.00 0.00 H ATOM 376 N ALA B 24 14.983 6.426 0.870 1.00 38.31 N ATOM 377 CA ALA B 24 15.308 6.967 2.187 1.00 38.26 C ATOM 378 C ALA B 24 16.739 7.514 2.269 1.00 38.31 C ATOM 379 O ALA B 24 16.959 8.601 2.806 1.00 38.45 O ATOM 380 CB ALA B 24 15.070 5.933 3.258 1.00 38.09 C ATOM 381 HA ALA B 24 14.641 7.813 2.354 1.00 0.00 H ATOM 382 HB1 ALA B 24 14.022 5.635 3.247 1.00 0.00 H ATOM 383 HB2 ALA B 24 15.699 5.063 3.068 1.00 0.00 H ATOM 384 HB3 ALA B 24 15.318 6.356 4.231 1.00 0.00 H ATOM 385 H ALA B 24 14.736 5.418 0.796 1.00 0.00 H ATOM 386 N LYS B 25 17.706 6.776 1.732 1.00 38.24 N ATOM 387 CA LYS B 25 19.096 7.220 1.790 1.00 37.97 C ATOM 388 C LYS B 25 19.292 8.405 0.854 1.00 37.82 C ATOM 389 O LYS B 25 19.996 9.351 1.187 1.00 37.49 O ATOM 390 CB LYS B 25 20.066 6.058 1.522 1.00 37.90 C ATOM 391 CG LYS B 25 21.551 6.421 1.262 1.00 39.43 C ATOM 392 CD LYS B 25 22.169 7.428 2.231 1.00 40.39 C ATOM 393 CE LYS B 25 22.459 6.862 3.596 1.00 42.98 C ATOM 394 NZ LYS B 25 23.138 7.900 4.456 1.00 44.69 N ATOM 395 HA LYS B 25 19.330 7.563 2.798 1.00 0.00 H ATOM 396 HB2 LYS B 25 20.036 5.399 2.389 1.00 0.00 H ATOM 397 HB3 LYS B 25 19.701 5.521 0.646 1.00 0.00 H ATOM 398 HG2 LYS B 25 22.135 5.502 1.317 1.00 0.00 H ATOM 399 HG3 LYS B 25 21.623 6.836 0.257 1.00 0.00 H ATOM 400 HD2 LYS B 25 23.104 7.788 1.802 1.00 0.00 H ATOM 401 HD3 LYS B 25 21.478 8.263 2.345 1.00 0.00 H ATOM 402 HE2 LYS B 25 23.111 5.994 3.495 1.00 0.00 H ATOM 403 HE3 LYS B 25 21.524 6.559 4.067 1.00 0.00 H ATOM 404 HZ1 LYS B 25 24.032 8.188 4.009 1.00 0.00 H ATOM 405 HZ2 LYS B 25 22.516 8.728 4.555 1.00 0.00 H ATOM 406 HZ3 LYS B 25 23.333 7.497 5.395 1.00 0.00 H ATOM 407 H LYS B 25 17.471 5.876 1.267 1.00 0.00 H ATOM 408 N MET B 26 18.626 8.369 -0.294 1.00 37.74 N ATOM 409 CA MET B 26 18.687 9.478 -1.246 1.00 37.75 C ATOM 410 C MET B 26 18.141 10.779 -0.662 1.00 37.35 C ATOM 411 O MET B 26 18.717 11.860 -0.871 1.00 37.40 O ATOM 412 CB MET B 26 17.960 9.113 -2.541 1.00 37.99 C ATOM 413 CG MET B 26 18.420 9.926 -3.741 1.00 40.00 C ATOM 414 SD MET B 26 20.204 9.938 -3.978 1.00 45.23 S ATOM 415 CE MET B 26 20.571 8.278 -4.488 1.00 39.35 C ATOM 416 HA MET B 26 19.739 9.652 -1.470 1.00 0.00 H ATOM 417 HB2 MET B 26 18.135 8.058 -2.750 1.00 0.00 H ATOM 418 HB3 MET B 26 16.893 9.281 -2.398 1.00 0.00 H ATOM 419 HG2 MET B 26 18.085 10.955 -3.607 1.00 0.00 H ATOM 420 HG3 MET B 26 17.958 9.508 -4.636 1.00 0.00 H ATOM 421 HE1 MET B 26 20.262 7.583 -3.708 1.00 0.00 H ATOM 422 HE2 MET B 26 20.033 8.055 -5.409 1.00 0.00 H ATOM 423 HE3 MET B 26 21.643 8.181 -4.659 1.00 0.00 H ATOM 424 H MET B 26 18.049 7.534 -0.521 1.00 0.00 H ATOM 425 N THR B 27 17.042 10.653 0.072 1.00 36.89 N ATOM 426 CA THR B 27 16.403 11.746 0.803 1.00 36.98 C ATOM 427 C THR B 27 17.348 12.391 1.835 1.00 37.07 C ATOM 428 O THR B 27 17.443 13.616 1.892 1.00 37.14 O ATOM 429 CB THR B 27 15.096 11.243 1.470 1.00 36.98 C ATOM 430 OG1 THR B 27 14.153 10.879 0.448 1.00 37.62 O ATOM 431 CG2 THR B 27 14.471 12.294 2.343 1.00 36.71 C ATOM 432 HA THR B 27 16.154 12.528 0.085 1.00 0.00 H ATOM 433 HB THR B 27 15.351 10.386 2.093 1.00 0.00 H ATOM 434 HG1 THR B 27 14.538 10.160 -0.114 1.00 0.00 H ATOM 435 HG23 THR B 27 15.175 12.581 3.124 1.00 0.00 H ATOM 436 HG21 THR B 27 14.222 13.166 1.738 1.00 0.00 H ATOM 437 HG22 THR B 27 13.564 11.895 2.798 1.00 0.00 H ATOM 438 H THR B 27 16.605 9.711 0.131 1.00 0.00 H ATOM 439 N GLN B 28 18.046 11.563 2.620 1.00 37.06 N ATOM 440 CA GLN B 28 19.027 12.010 3.623 1.00 37.00 C ATOM 441 C GLN B 28 20.142 12.841 2.998 1.00 36.23 C ATOM 442 O GLN B 28 20.507 13.914 3.516 1.00 35.19 O ATOM 443 CB GLN B 28 19.647 10.812 4.371 1.00 36.83 C ATOM 444 CG GLN B 28 18.793 10.199 5.494 1.00 38.28 C ATOM 445 CD GLN B 28 19.462 8.991 6.144 1.00 39.48 C ATOM 446 OE1 GLN B 28 19.968 8.090 5.454 1.00 44.33 O ATOM 447 NE2 GLN B 28 19.470 8.964 7.472 1.00 39.95 N ATOM 448 HA GLN B 28 18.482 12.635 4.331 1.00 0.00 H ATOM 449 HB2 GLN B 28 19.847 10.029 3.639 1.00 0.00 H ATOM 450 HB3 GLN B 28 20.587 11.144 4.811 1.00 0.00 H ATOM 451 HG2 GLN B 28 18.623 10.958 6.258 1.00 0.00 H ATOM 452 HG3 GLN B 28 17.837 9.886 5.075 1.00 0.00 H ATOM 453 HE22 GLN B 28 19.035 9.740 8.011 1.00 0.00 H ATOM 454 HE21 GLN B 28 19.912 8.167 7.973 1.00 0.00 H ATOM 455 H GLN B 28 17.886 10.541 2.516 1.00 0.00 H ATOM 456 N ILE B 29 20.686 12.330 1.888 1.00 35.66 N ATOM 457 CA ILE B 29 21.726 13.032 1.127 1.00 34.47 C ATOM 458 C ILE B 29 21.193 14.384 0.671 1.00 34.38 C ATOM 459 O ILE B 29 21.849 15.416 0.839 1.00 34.77 O ATOM 460 CB ILE B 29 22.246 12.168 -0.073 1.00 34.32 C ATOM 461 CG1 ILE B 29 22.868 10.867 0.442 1.00 34.46 C ATOM 462 CG2 ILE B 29 23.272 12.913 -0.914 1.00 32.73 C ATOM 463 CD1 ILE B 29 23.102 9.842 -0.649 1.00 34.26 C ATOM 464 HA ILE B 29 22.587 13.200 1.774 1.00 0.00 H ATOM 465 HB ILE B 29 21.385 11.948 -0.704 1.00 0.00 H ATOM 466 HG12 ILE B 29 23.825 11.101 0.908 1.00 0.00 H ATOM 467 HG13 ILE B 29 22.199 10.434 1.186 1.00 0.00 H ATOM 468 HD11 ILE B 29 22.151 9.589 -1.118 1.00 0.00 H ATOM 469 HD12 ILE B 29 23.778 10.257 -1.396 1.00 0.00 H ATOM 470 HD13 ILE B 29 23.544 8.945 -0.215 1.00 0.00 H ATOM 471 HG21 ILE B 29 22.820 13.819 -1.318 1.00 0.00 H ATOM 472 HG22 ILE B 29 24.126 13.179 -0.291 1.00 0.00 H ATOM 473 HG23 ILE B 29 23.602 12.274 -1.733 1.00 0.00 H ATOM 474 H ILE B 29 20.360 11.401 1.552 1.00 0.00 H ATOM 475 N THR B 30 19.997 14.374 0.106 1.00 34.50 N ATOM 476 CA THR B 30 19.363 15.586 -0.433 1.00 34.86 C ATOM 477 C THR B 30 19.012 16.613 0.662 1.00 33.96 C ATOM 478 O THR B 30 19.282 17.814 0.508 1.00 33.56 O ATOM 479 CB THR B 30 18.126 15.215 -1.270 1.00 35.04 C ATOM 480 OG1 THR B 30 18.514 14.275 -2.289 1.00 38.25 O ATOM 481 CG2 THR B 30 17.528 16.450 -1.933 1.00 36.00 C ATOM 482 HA THR B 30 20.093 16.071 -1.081 1.00 0.00 H ATOM 483 HB THR B 30 17.377 14.776 -0.611 1.00 0.00 H ATOM 484 HG1 THR B 30 17.722 14.032 -2.831 1.00 0.00 H ATOM 485 HG23 THR B 30 17.232 17.165 -1.166 1.00 0.00 H ATOM 486 HG21 THR B 30 18.271 16.905 -2.589 1.00 0.00 H ATOM 487 HG22 THR B 30 16.655 16.160 -2.517 1.00 0.00 H ATOM 488 H THR B 30 19.484 13.472 0.040 1.00 0.00 H ATOM 489 N LYS B 31 18.421 16.137 1.756 1.00 33.11 N ATOM 490 CA LYS B 31 18.195 16.975 2.930 1.00 33.46 C ATOM 491 C LYS B 31 19.463 17.684 3.382 1.00 32.57 C ATOM 492 O LYS B 31 19.428 18.876 3.665 1.00 33.29 O ATOM 493 CB LYS B 31 17.574 16.171 4.081 1.00 33.78 C ATOM 494 CG LYS B 31 16.059 16.092 3.975 1.00 35.18 C ATOM 495 CD LYS B 31 15.490 14.955 4.789 1.00 38.32 C ATOM 496 CE LYS B 31 14.047 14.668 4.355 1.00 40.29 C ATOM 497 NZ LYS B 31 13.038 15.576 4.954 1.00 42.51 N ATOM 498 HA LYS B 31 17.483 17.745 2.634 1.00 0.00 H ATOM 499 HB2 LYS B 31 17.981 15.160 4.063 1.00 0.00 H ATOM 500 HB3 LYS B 31 17.836 16.649 5.025 1.00 0.00 H ATOM 501 HG2 LYS B 31 15.632 17.029 4.333 1.00 0.00 H ATOM 502 HG3 LYS B 31 15.787 15.947 2.930 1.00 0.00 H ATOM 503 HD2 LYS B 31 16.097 14.063 4.637 1.00 0.00 H ATOM 504 HD3 LYS B 31 15.502 15.225 5.845 1.00 0.00 H ATOM 505 HE2 LYS B 31 13.800 13.646 4.642 1.00 0.00 H ATOM 506 HE3 LYS B 31 13.991 14.763 3.271 1.00 0.00 H ATOM 507 HZ1 LYS B 31 13.068 15.490 5.990 1.00 0.00 H ATOM 508 HZ2 LYS B 31 13.250 16.557 4.680 1.00 0.00 H ATOM 509 HZ3 LYS B 31 12.092 15.315 4.610 1.00 0.00 H ATOM 510 H LYS B 31 18.113 15.144 1.775 1.00 0.00 H ATOM 511 N ALA B 32 20.575 16.954 3.411 1.00 31.59 N ATOM 512 CA ALA B 32 21.877 17.488 3.799 1.00 30.71 C ATOM 513 C ALA B 32 22.418 18.544 2.826 1.00 30.62 C ATOM 514 O ALA B 32 22.978 19.550 3.254 1.00 30.69 O ATOM 515 CB ALA B 32 22.877 16.347 3.957 1.00 29.99 C ATOM 516 HA ALA B 32 21.738 17.998 4.752 1.00 0.00 H ATOM 517 HB1 ALA B 32 22.524 15.660 4.727 1.00 0.00 H ATOM 518 HB2 ALA B 32 22.972 15.815 3.010 1.00 0.00 H ATOM 519 HB3 ALA B 32 23.846 16.753 4.247 1.00 0.00 H ATOM 520 H ALA B 32 20.513 15.951 3.143 1.00 0.00 H ATOM 521 N ALA B 33 22.265 18.308 1.522 1.00 30.28 N ATOM 522 CA ALA B 33 22.698 19.261 0.516 1.00 30.81 C ATOM 523 C ALA B 33 21.920 20.572 0.594 1.00 31.00 C ATOM 524 O ALA B 33 22.505 21.646 0.418 1.00 31.34 O ATOM 525 CB ALA B 33 22.571 18.658 -0.903 1.00 30.40 C ATOM 526 HA ALA B 33 23.746 19.482 0.720 1.00 0.00 H ATOM 527 HB1 ALA B 33 23.192 17.765 -0.974 1.00 0.00 H ATOM 528 HB2 ALA B 33 21.530 18.394 -1.093 1.00 0.00 H ATOM 529 HB3 ALA B 33 22.901 19.391 -1.639 1.00 0.00 H ATOM 530 H ALA B 33 21.823 17.417 1.218 1.00 0.00 H ATOM 531 N ILE B 34 20.608 20.479 0.823 1.00 31.59 N ATOM 532 CA ILE B 34 19.743 21.678 0.950 1.00 32.07 C ATOM 533 C ILE B 34 20.140 22.495 2.187 1.00 32.27 C ATOM 534 O ILE B 34 20.260 23.723 2.127 1.00 32.26 O ATOM 535 CB ILE B 34 18.217 21.324 1.014 1.00 32.02 C ATOM 536 CG1 ILE B 34 17.746 20.551 -0.240 1.00 32.28 C ATOM 537 CG2 ILE B 34 17.367 22.591 1.234 1.00 31.45 C ATOM 538 CD1 ILE B 34 17.664 21.355 -1.537 1.00 31.33 C ATOM 539 HA ILE B 34 19.899 22.271 0.049 1.00 0.00 H ATOM 540 HB ILE B 34 18.075 20.663 1.869 1.00 0.00 H ATOM 541 HG12 ILE B 34 18.440 19.726 -0.403 1.00 0.00 H ATOM 542 HG13 ILE B 34 16.753 20.153 -0.032 1.00 0.00 H ATOM 543 HD11 ILE B 34 16.961 22.178 -1.409 1.00 0.00 H ATOM 544 HD12 ILE B 34 18.650 21.752 -1.780 1.00 0.00 H ATOM 545 HD13 ILE B 34 17.323 20.707 -2.344 1.00 0.00 H ATOM 546 HG21 ILE B 34 17.657 23.063 2.172 1.00 0.00 H ATOM 547 HG22 ILE B 34 17.532 23.285 0.410 1.00 0.00 H ATOM 548 HG23 ILE B 34 16.313 22.317 1.275 1.00 0.00 H ATOM 549 H ILE B 34 20.179 19.536 0.915 1.00 0.00 H ATOM 550 N LYS B 35 20.363 21.801 3.302 1.00 33.07 N ATOM 551 CA LYS B 35 20.783 22.450 4.550 1.00 33.88 C ATOM 552 C LYS B 35 22.119 23.198 4.381 1.00 33.99 C ATOM 553 O LYS B 35 22.392 24.179 5.087 1.00 34.50 O ATOM 554 CB LYS B 35 20.841 21.431 5.694 1.00 33.48 C ATOM 555 CG LYS B 35 19.454 20.971 6.143 1.00 34.96 C ATOM 556 CD LYS B 35 19.499 19.923 7.263 1.00 35.40 C ATOM 557 CE LYS B 35 18.088 19.381 7.494 1.00 39.54 C ATOM 558 NZ LYS B 35 18.041 18.107 8.287 1.00 42.51 N ATOM 559 HA LYS B 35 20.035 23.200 4.808 1.00 0.00 H ATOM 560 HB2 LYS B 35 21.406 20.561 5.359 1.00 0.00 H ATOM 561 HB3 LYS B 35 21.349 21.888 6.543 1.00 0.00 H ATOM 562 HG2 LYS B 35 18.900 21.839 6.502 1.00 0.00 H ATOM 563 HG3 LYS B 35 18.937 20.540 5.286 1.00 0.00 H ATOM 564 HD2 LYS B 35 20.162 19.107 6.974 1.00 0.00 H ATOM 565 HD3 LYS B 35 19.869 20.383 8.179 1.00 0.00 H ATOM 566 HE2 LYS B 35 17.629 19.197 6.523 1.00 0.00 H ATOM 567 HE3 LYS B 35 17.514 20.138 8.028 1.00 0.00 H ATOM 568 HZ1 LYS B 35 18.574 17.368 7.786 1.00 0.00 H ATOM 569 HZ2 LYS B 35 18.464 18.267 9.223 1.00 0.00 H ATOM 570 HZ3 LYS B 35 17.052 17.806 8.399 1.00 0.00 H ATOM 571 H LYS B 35 20.236 20.769 3.288 1.00 0.00 H ATOM 572 N ALA B 36 22.909 22.760 3.402 1.00 33.86 N ATOM 573 CA ALA B 36 24.207 23.362 3.087 1.00 33.86 C ATOM 574 C ALA B 36 24.165 24.360 1.925 1.00 33.85 C ATOM 575 O ALA B 36 25.196 24.645 1.311 1.00 34.14 O ATOM 576 CB ALA B 36 25.249 22.235 2.807 1.00 33.24 C ATOM 577 HA ALA B 36 24.503 23.944 3.960 1.00 0.00 H ATOM 578 HB1 ALA B 36 25.345 21.604 3.690 1.00 0.00 H ATOM 579 HB2 ALA B 36 24.913 21.633 1.963 1.00 0.00 H ATOM 580 HB3 ALA B 36 26.214 22.684 2.573 1.00 0.00 H ATOM 581 H ALA B 36 22.588 21.951 2.833 1.00 0.00 H ATOM 582 N ILE B 37 22.986 24.903 1.629 1.00 33.77 N ATOM 583 CA ILE B 37 22.805 25.779 0.469 1.00 34.27 C ATOM 584 C ILE B 37 23.663 27.070 0.437 1.00 34.56 C ATOM 585 O ILE B 37 23.954 27.590 -0.646 1.00 34.30 O ATOM 586 CB ILE B 37 21.304 26.059 0.189 1.00 34.23 C ATOM 587 CG1 ILE B 37 21.118 26.645 -1.219 1.00 35.68 C ATOM 588 CG2 ILE B 37 20.700 26.976 1.255 1.00 35.02 C ATOM 589 CD1 ILE B 37 19.860 26.174 -1.921 1.00 36.81 C ATOM 590 HA ILE B 37 23.211 25.198 -0.359 1.00 0.00 H ATOM 591 HB ILE B 37 20.769 25.110 0.236 1.00 0.00 H ATOM 592 HG12 ILE B 37 21.079 27.731 -1.136 1.00 0.00 H ATOM 593 HG13 ILE B 37 21.977 26.359 -1.826 1.00 0.00 H ATOM 594 HD11 ILE B 37 19.887 25.089 -2.024 1.00 0.00 H ATOM 595 HD12 ILE B 37 18.988 26.462 -1.334 1.00 0.00 H ATOM 596 HD13 ILE B 37 19.803 26.633 -2.908 1.00 0.00 H ATOM 597 HG21 ILE B 37 20.788 26.502 2.233 1.00 0.00 H ATOM 598 HG22 ILE B 37 21.235 27.926 1.261 1.00 0.00 H ATOM 599 HG23 ILE B 37 19.648 27.151 1.028 1.00 0.00 H ATOM 600 H ILE B 37 22.169 24.699 2.240 1.00 0.00 H ATOM 601 N LYS B 38 24.060 27.587 1.602 1.00 34.66 N ATOM 602 CA LYS B 38 25.038 28.690 1.663 1.00 35.23 C ATOM 603 C LYS B 38 26.353 28.285 0.974 1.00 35.49 C ATOM 604 O LYS B 38 27.045 29.127 0.400 1.00 36.01 O ATOM 605 CB LYS B 38 25.305 29.113 3.121 1.00 34.98 C ATOM 606 CG LYS B 38 26.398 30.168 3.308 1.00 35.40 C ATOM 607 CD LYS B 38 26.887 30.233 4.777 1.00 35.21 C ATOM 608 CE LYS B 38 27.874 31.390 5.009 1.00 35.39 C ATOM 609 NZ LYS B 38 28.361 31.471 6.428 1.00 34.95 N ATOM 610 HA LYS B 38 24.615 29.544 1.133 1.00 0.00 H ATOM 611 HB2 LYS B 38 24.377 29.513 3.531 1.00 0.00 H ATOM 612 HB3 LYS B 38 25.595 28.224 3.682 1.00 0.00 H ATOM 613 HG2 LYS B 38 27.242 29.920 2.665 1.00 0.00 H ATOM 614 HG3 LYS B 38 26.001 31.143 3.024 1.00 0.00 H ATOM 615 HD2 LYS B 38 26.024 30.371 5.429 1.00 0.00 H ATOM 616 HD3 LYS B 38 27.382 29.294 5.025 1.00 0.00 H ATOM 617 HE2 LYS B 38 27.376 32.327 4.758 1.00 0.00 H ATOM 618 HE3 LYS B 38 28.734 31.250 4.354 1.00 0.00 H ATOM 619 HZ1 LYS B 38 27.551 31.614 7.064 1.00 0.00 H ATOM 620 HZ2 LYS B 38 28.847 30.586 6.678 1.00 0.00 H ATOM 621 HZ3 LYS B 38 29.022 32.269 6.521 1.00 0.00 H ATOM 622 H LYS B 38 23.671 27.203 2.487 1.00 0.00 H ATOM 623 N PHE B 39 26.688 26.998 1.040 1.00 35.25 N ATOM 624 CA PHE B 39 27.879 26.478 0.381 1.00 35.33 C ATOM 625 C PHE B 39 27.539 25.560 -0.805 1.00 35.41 C ATOM 626 O PHE B 39 28.165 24.505 -0.987 1.00 35.52 O ATOM 627 CB PHE B 39 28.741 25.728 1.381 1.00 35.05 C ATOM 628 CG PHE B 39 29.029 26.496 2.653 1.00 35.96 C ATOM 629 CD1 PHE B 39 29.980 27.514 2.671 1.00 35.88 C ATOM 630 CD2 PHE B 39 28.365 26.176 3.839 1.00 36.36 C ATOM 631 CE1 PHE B 39 30.264 28.219 3.854 1.00 36.15 C ATOM 632 CE2 PHE B 39 28.638 26.869 5.027 1.00 36.73 C ATOM 633 CZ PHE B 39 29.591 27.891 5.033 1.00 36.09 C ATOM 634 HA PHE B 39 28.427 27.333 -0.015 1.00 0.00 H ATOM 635 HB2 PHE B 39 28.229 24.804 1.648 1.00 0.00 H ATOM 636 HB3 PHE B 39 29.691 25.490 0.903 1.00 0.00 H ATOM 637 HD2 PHE B 39 27.624 25.376 3.841 1.00 0.00 H ATOM 638 HE2 PHE B 39 28.108 26.611 5.944 1.00 0.00 H ATOM 639 HZ PHE B 39 29.808 28.430 5.955 1.00 0.00 H ATOM 640 HE1 PHE B 39 31.006 29.018 3.851 1.00 0.00 H ATOM 641 HD1 PHE B 39 30.512 27.768 1.754 1.00 0.00 H ATOM 642 H PHE B 39 26.082 26.345 1.577 1.00 0.00 H ATOM 643 N TYR B 40 26.556 25.968 -1.609 1.00 34.80 N ATOM 644 CA TYR B 40 26.080 25.149 -2.721 1.00 34.55 C ATOM 645 C TYR B 40 27.190 24.813 -3.716 1.00 33.67 C ATOM 646 O TYR B 40 27.188 23.740 -4.303 1.00 33.65 O ATOM 647 CB TYR B 40 24.884 25.812 -3.426 1.00 35.18 C ATOM 648 CG TYR B 40 25.240 27.020 -4.262 1.00 35.21 C ATOM 649 CD1 TYR B 40 25.572 26.881 -5.613 1.00 35.94 C ATOM 650 CD2 TYR B 40 25.238 28.299 -3.710 1.00 35.13 C ATOM 651 CE1 TYR B 40 25.900 27.977 -6.378 1.00 36.62 C ATOM 652 CE2 TYR B 40 25.565 29.410 -4.476 1.00 36.39 C ATOM 653 CZ TYR B 40 25.890 29.236 -5.809 1.00 36.11 C ATOM 654 OH TYR B 40 26.218 30.318 -6.577 1.00 36.49 O ATOM 655 HA TYR B 40 25.743 24.204 -2.295 1.00 0.00 H ATOM 656 HB3 TYR B 40 24.169 26.123 -2.664 1.00 0.00 H ATOM 657 HB2 TYR B 40 24.419 25.072 -4.077 1.00 0.00 H ATOM 658 HD2 TYR B 40 24.976 28.430 -2.660 1.00 0.00 H ATOM 659 HE2 TYR B 40 25.566 30.406 -4.033 1.00 0.00 H ATOM 660 HE1 TYR B 40 26.166 27.852 -7.428 1.00 0.00 H ATOM 661 HD1 TYR B 40 25.571 25.890 -6.067 1.00 0.00 H ATOM 662 HH TYR B 40 26.421 30.018 -7.498 1.00 0.00 H ATOM 663 H TYR B 40 26.116 26.895 -1.439 1.00 0.00 H ATOM 664 N LYS B 41 28.137 25.731 -3.881 1.00 32.77 N ATOM 665 CA LYS B 41 29.294 25.531 -4.767 1.00 32.34 C ATOM 666 C LYS B 41 30.174 24.372 -4.282 1.00 31.99 C ATOM 667 O LYS B 41 30.676 23.574 -5.082 1.00 31.70 O ATOM 668 CB LYS B 41 30.143 26.797 -4.847 1.00 31.48 C ATOM 669 CG LYS B 41 29.500 27.976 -5.535 1.00 32.42 C ATOM 670 CD LYS B 41 30.482 29.174 -5.527 1.00 31.99 C ATOM 671 CE LYS B 41 29.915 30.402 -6.218 1.00 32.84 C ATOM 672 NZ LYS B 41 30.666 31.650 -5.804 1.00 32.92 N ATOM 673 HA LYS B 41 28.902 25.292 -5.756 1.00 0.00 H ATOM 674 HB2 LYS B 41 30.392 27.098 -3.829 1.00 0.00 H ATOM 675 HB3 LYS B 41 31.058 26.553 -5.386 1.00 0.00 H ATOM 676 HG2 LYS B 41 29.259 27.710 -6.564 1.00 0.00 H ATOM 677 HG3 LYS B 41 28.586 28.251 -5.008 1.00 0.00 H ATOM 678 HD2 LYS B 41 30.711 29.430 -4.493 1.00 0.00 H ATOM 679 HD3 LYS B 41 31.398 28.878 -6.038 1.00 0.00 H ATOM 680 HE2 LYS B 41 28.865 30.511 -5.948 1.00 0.00 H ATOM 681 HE3 LYS B 41 30.000 30.276 -7.297 1.00 0.00 H ATOM 682 HZ1 LYS B 41 30.584 31.777 -4.775 1.00 0.00 H ATOM 683 HZ2 LYS B 41 31.668 31.552 -6.064 1.00 0.00 H ATOM 684 HZ3 LYS B 41 30.260 32.475 -6.290 1.00 0.00 H ATOM 685 H LYS B 41 28.057 26.629 -3.362 1.00 0.00 H ATOM 686 N HIS B 42 30.353 24.301 -2.968 1.00 31.80 N ATOM 687 CA HIS B 42 31.084 23.214 -2.322 1.00 32.26 C ATOM 688 C HIS B 42 30.361 21.870 -2.423 1.00 32.22 C ATOM 689 O HIS B 42 30.989 20.831 -2.636 1.00 32.65 O ATOM 690 CB HIS B 42 31.369 23.605 -0.875 1.00 32.55 C ATOM 691 CG HIS B 42 32.365 24.720 -0.751 1.00 34.20 C ATOM 692 ND1 HIS B 42 32.024 26.052 -0.898 1.00 36.91 N ATOM 693 CD2 HIS B 42 33.701 24.697 -0.524 1.00 36.33 C ATOM 694 CE1 HIS B 42 33.103 26.802 -0.745 1.00 37.17 C ATOM 695 NE2 HIS B 42 34.134 26.005 -0.516 1.00 37.56 N ATOM 696 HA HIS B 42 32.027 23.068 -2.849 1.00 0.00 H ATOM 697 HB2 HIS B 42 30.435 23.921 -0.410 1.00 0.00 H ATOM 698 HB3 HIS B 42 31.758 22.732 -0.350 1.00 0.00 H ATOM 699 HD2 HIS B 42 34.317 23.810 -0.376 1.00 0.00 H ATOM 700 HE1 HIS B 42 33.137 27.890 -0.798 1.00 0.00 H ATOM 701 H HIS B 42 29.954 25.054 -2.372 1.00 0.00 H ATOM 702 N VAL B 43 29.036 21.908 -2.300 1.00 32.09 N ATOM 703 CA VAL B 43 28.178 20.731 -2.489 1.00 32.53 C ATOM 704 C VAL B 43 28.323 20.191 -3.913 1.00 33.09 C ATOM 705 O VAL B 43 28.611 19.014 -4.113 1.00 33.74 O ATOM 706 CB VAL B 43 26.691 21.063 -2.161 1.00 31.69 C ATOM 707 CG1 VAL B 43 25.752 19.921 -2.545 1.00 33.34 C ATOM 708 CG2 VAL B 43 26.543 21.370 -0.689 1.00 32.75 C ATOM 709 HA VAL B 43 28.501 19.955 -1.795 1.00 0.00 H ATOM 710 HB VAL B 43 26.413 21.936 -2.751 1.00 0.00 H ATOM 711 HG11 VAL B 43 25.831 19.732 -3.615 1.00 0.00 H ATOM 712 HG12 VAL B 43 26.030 19.023 -1.994 1.00 0.00 H ATOM 713 HG13 VAL B 43 24.727 20.197 -2.298 1.00 0.00 H ATOM 714 HG21 VAL B 43 26.855 20.504 -0.105 1.00 0.00 H ATOM 715 HG22 VAL B 43 27.167 22.226 -0.433 1.00 0.00 H ATOM 716 HG23 VAL B 43 25.500 21.601 -0.470 1.00 0.00 H ATOM 717 H VAL B 43 28.587 22.814 -2.059 1.00 0.00 H ATOM 718 N VAL B 44 28.176 21.065 -4.902 1.00 33.37 N ATOM 719 CA VAL B 44 28.334 20.658 -6.295 1.00 33.68 C ATOM 720 C VAL B 44 29.735 20.084 -6.525 1.00 34.31 C ATOM 721 O VAL B 44 29.878 19.032 -7.146 1.00 35.12 O ATOM 722 CB VAL B 44 28.018 21.817 -7.266 1.00 33.37 C ATOM 723 CG1 VAL B 44 28.374 21.435 -8.698 1.00 34.40 C ATOM 724 CG2 VAL B 44 26.558 22.210 -7.153 1.00 32.86 C ATOM 725 HA VAL B 44 27.610 19.871 -6.506 1.00 0.00 H ATOM 726 HB VAL B 44 28.627 22.678 -6.992 1.00 0.00 H ATOM 727 HG11 VAL B 44 29.438 21.206 -8.758 1.00 0.00 H ATOM 728 HG12 VAL B 44 27.795 20.560 -8.994 1.00 0.00 H ATOM 729 HG13 VAL B 44 28.142 22.267 -9.363 1.00 0.00 H ATOM 730 HG21 VAL B 44 25.932 21.353 -7.403 1.00 0.00 H ATOM 731 HG22 VAL B 44 26.347 22.530 -6.133 1.00 0.00 H ATOM 732 HG23 VAL B 44 26.349 23.028 -7.843 1.00 0.00 H ATOM 733 H VAL B 44 27.945 22.055 -4.681 1.00 0.00 H ATOM 734 N GLN B 45 30.749 20.764 -5.989 1.00 34.77 N ATOM 735 CA GLN B 45 32.128 20.298 -6.036 1.00 35.29 C ATOM 736 C GLN B 45 32.335 18.896 -5.452 1.00 35.25 C ATOM 737 O GLN B 45 32.964 18.065 -6.098 1.00 35.65 O ATOM 738 CB GLN B 45 33.056 21.311 -5.350 1.00 35.32 C ATOM 739 CG GLN B 45 34.498 20.890 -5.311 1.00 36.35 C ATOM 740 CD GLN B 45 35.389 21.956 -4.715 1.00 39.91 C ATOM 741 OE1 GLN B 45 35.168 22.414 -3.594 1.00 43.00 O ATOM 742 NE2 GLN B 45 36.407 22.354 -5.461 1.00 39.40 N ATOM 743 HA GLN B 45 32.383 20.218 -7.093 1.00 0.00 H ATOM 744 HB2 GLN B 45 32.989 22.257 -5.888 1.00 0.00 H ATOM 745 HB3 GLN B 45 32.712 21.452 -4.325 1.00 0.00 H ATOM 746 HG2 GLN B 45 34.583 19.985 -4.710 1.00 0.00 H ATOM 747 HG3 GLN B 45 34.831 20.682 -6.328 1.00 0.00 H ATOM 748 HE22 GLN B 45 36.555 21.939 -6.403 1.00 0.00 H ATOM 749 HE21 GLN B 45 37.059 23.082 -5.105 1.00 0.00 H ATOM 750 H GLN B 45 30.546 21.668 -5.516 1.00 0.00 H ATOM 751 N SER B 46 31.832 18.648 -4.233 1.00 35.72 N ATOM 752 CA SER B 46 31.870 17.310 -3.592 1.00 35.14 C ATOM 753 C SER B 46 31.186 16.221 -4.428 1.00 34.95 C ATOM 754 O SER B 46 31.701 15.112 -4.573 1.00 34.10 O ATOM 755 CB SER B 46 31.181 17.348 -2.233 1.00 35.29 C ATOM 756 OG SER B 46 31.962 17.987 -1.255 1.00 36.74 O ATOM 757 HA SER B 46 32.927 17.062 -3.494 1.00 0.00 H ATOM 758 HB2 SER B 46 30.984 16.325 -1.911 1.00 0.00 H ATOM 759 HB3 SER B 46 30.237 17.884 -2.333 1.00 0.00 H ATOM 760 HG SER B 46 31.475 17.987 -0.393 1.00 0.00 H ATOM 761 H SER B 46 31.393 19.433 -3.711 1.00 0.00 H ATOM 762 N VAL B 47 30.003 16.536 -4.950 1.00 35.25 N ATOM 763 CA VAL B 47 29.249 15.599 -5.820 1.00 34.85 C ATOM 764 C VAL B 47 30.059 15.246 -7.080 1.00 35.23 C ATOM 765 O VAL B 47 30.176 14.073 -7.433 1.00 35.47 O ATOM 766 CB VAL B 47 27.861 16.162 -6.210 1.00 35.03 C ATOM 767 CG1 VAL B 47 27.112 15.208 -7.215 1.00 35.27 C ATOM 768 CG2 VAL B 47 27.011 16.394 -4.971 1.00 34.16 C ATOM 769 HA VAL B 47 29.085 14.688 -5.244 1.00 0.00 H ATOM 770 HB VAL B 47 28.022 17.116 -6.711 1.00 0.00 H ATOM 771 HG11 VAL B 47 27.707 15.098 -8.121 1.00 0.00 H ATOM 772 HG12 VAL B 47 26.971 14.232 -6.751 1.00 0.00 H ATOM 773 HG13 VAL B 47 26.142 15.636 -7.466 1.00 0.00 H ATOM 774 HG21 VAL B 47 26.875 15.450 -4.444 1.00 0.00 H ATOM 775 HG22 VAL B 47 27.512 17.108 -4.317 1.00 0.00 H ATOM 776 HG23 VAL B 47 26.040 16.790 -5.267 1.00 0.00 H ATOM 777 H VAL B 47 29.594 17.469 -4.742 1.00 0.00 H ATOM 778 N GLU B 48 30.618 16.269 -7.731 1.00 35.10 N ATOM 779 CA GLU B 48 31.413 16.108 -8.947 1.00 35.68 C ATOM 780 C GLU B 48 32.668 15.263 -8.673 1.00 35.60 C ATOM 781 O GLU B 48 33.025 14.407 -9.477 1.00 35.36 O ATOM 782 CB GLU B 48 31.785 17.495 -9.539 1.00 35.67 C ATOM 783 CG GLU B 48 30.606 18.183 -10.260 1.00 36.40 C ATOM 784 CD GLU B 48 30.891 19.620 -10.741 1.00 36.02 C ATOM 785 OE1 GLU B 48 32.015 20.134 -10.589 1.00 36.46 O ATOM 786 OE2 GLU B 48 29.970 20.242 -11.300 1.00 35.96 O ATOM 787 HA GLU B 48 30.813 15.576 -9.685 1.00 0.00 H ATOM 788 HB2 GLU B 48 32.119 18.141 -8.727 1.00 0.00 H ATOM 789 HB3 GLU B 48 32.598 17.361 -10.253 1.00 0.00 H ATOM 790 HG2 GLU B 48 30.342 17.581 -11.129 1.00 0.00 H ATOM 791 HG3 GLU B 48 29.761 18.217 -9.572 1.00 0.00 H ATOM 792 H GLU B 48 30.481 17.229 -7.354 1.00 0.00 H ATOM 793 N LYS B 49 33.300 15.516 -7.523 1.00 35.66 N ATOM 794 CA LYS B 49 34.428 14.739 -6.997 1.00 36.64 C ATOM 795 C LYS B 49 34.071 13.271 -6.728 1.00 35.66 C ATOM 796 O LYS B 49 34.804 12.370 -7.151 1.00 35.44 O ATOM 797 CB LYS B 49 34.978 15.432 -5.729 1.00 37.11 C ATOM 798 CG LYS B 49 36.185 14.789 -5.048 1.00 38.96 C ATOM 799 CD LYS B 49 36.328 15.335 -3.603 1.00 39.54 C ATOM 800 CE LYS B 49 37.413 14.614 -2.797 1.00 45.12 C ATOM 801 NZ LYS B 49 37.128 13.142 -2.631 1.00 48.14 N ATOM 802 HA LYS B 49 35.204 14.714 -7.762 1.00 0.00 H ATOM 803 HB2 LYS B 49 35.261 16.447 -6.007 1.00 0.00 H ATOM 804 HB3 LYS B 49 34.170 15.468 -4.998 1.00 0.00 H ATOM 805 HG2 LYS B 49 36.048 13.708 -5.015 1.00 0.00 H ATOM 806 HG3 LYS B 49 37.087 15.023 -5.614 1.00 0.00 H ATOM 807 HD2 LYS B 49 36.579 16.394 -3.655 1.00 0.00 H ATOM 808 HD3 LYS B 49 35.374 15.214 -3.089 1.00 0.00 H ATOM 809 HE2 LYS B 49 37.477 15.071 -1.810 1.00 0.00 H ATOM 810 HE3 LYS B 49 38.366 14.730 -3.312 1.00 0.00 H ATOM 811 HZ1 LYS B 49 36.224 13.019 -2.132 1.00 0.00 H ATOM 812 HZ2 LYS B 49 37.073 12.693 -3.567 1.00 0.00 H ATOM 813 HZ3 LYS B 49 37.892 12.702 -2.079 1.00 0.00 H ATOM 814 H LYS B 49 32.967 16.324 -6.959 1.00 0.00 H ATOM 815 N PHE B 50 32.950 13.034 -6.040 1.00 34.57 N ATOM 816 CA PHE B 50 32.450 11.673 -5.808 1.00 34.16 C ATOM 817 C PHE B 50 32.302 10.935 -7.153 1.00 34.12 C ATOM 818 O PHE B 50 32.854 9.851 -7.326 1.00 33.82 O ATOM 819 CB PHE B 50 31.108 11.688 -5.043 1.00 33.36 C ATOM 820 CG PHE B 50 30.522 10.315 -4.810 1.00 33.91 C ATOM 821 CD1 PHE B 50 30.891 9.564 -3.688 1.00 34.27 C ATOM 822 CD2 PHE B 50 29.613 9.764 -5.712 1.00 32.48 C ATOM 823 CE1 PHE B 50 30.363 8.284 -3.477 1.00 32.24 C ATOM 824 CE2 PHE B 50 29.084 8.492 -5.514 1.00 33.57 C ATOM 825 CZ PHE B 50 29.470 7.748 -4.386 1.00 32.98 C ATOM 826 HA PHE B 50 33.173 11.143 -5.188 1.00 0.00 H ATOM 827 HB2 PHE B 50 31.270 12.162 -4.075 1.00 0.00 H ATOM 828 HB3 PHE B 50 30.391 12.275 -5.618 1.00 0.00 H ATOM 829 HD2 PHE B 50 29.311 10.339 -6.587 1.00 0.00 H ATOM 830 HE2 PHE B 50 28.375 8.076 -6.229 1.00 0.00 H ATOM 831 HZ PHE B 50 29.065 6.748 -4.228 1.00 0.00 H ATOM 832 HE1 PHE B 50 30.656 7.711 -2.597 1.00 0.00 H ATOM 833 HD1 PHE B 50 31.598 9.980 -2.970 1.00 0.00 H ATOM 834 H PHE B 50 32.415 13.839 -5.657 1.00 0.00 H ATOM 835 N ILE B 51 31.567 11.537 -8.093 1.00 33.56 N ATOM 836 CA ILE B 51 31.351 10.952 -9.430 1.00 33.76 C ATOM 837 C ILE B 51 32.650 10.626 -10.181 1.00 34.01 C ATOM 838 O ILE B 51 32.727 9.614 -10.861 1.00 34.06 O ATOM 839 CB ILE B 51 30.417 11.847 -10.296 1.00 34.00 C ATOM 840 CG1 ILE B 51 28.954 11.684 -9.850 1.00 34.28 C ATOM 841 CG2 ILE B 51 30.590 11.568 -11.814 1.00 33.66 C ATOM 842 CD1 ILE B 51 28.033 12.875 -10.280 1.00 32.92 C ATOM 843 HA ILE B 51 30.857 9.996 -9.255 1.00 0.00 H ATOM 844 HB ILE B 51 30.706 12.886 -10.138 1.00 0.00 H ATOM 845 HG12 ILE B 51 28.560 10.767 -10.288 1.00 0.00 H ATOM 846 HG13 ILE B 51 28.931 11.605 -8.763 1.00 0.00 H ATOM 847 HD11 ILE B 51 28.408 13.799 -9.840 1.00 0.00 H ATOM 848 HD12 ILE B 51 28.036 12.961 -11.367 1.00 0.00 H ATOM 849 HD13 ILE B 51 27.017 12.691 -9.931 1.00 0.00 H ATOM 850 HG21 ILE B 51 31.621 11.770 -12.104 1.00 0.00 H ATOM 851 HG22 ILE B 51 30.351 10.525 -12.020 1.00 0.00 H ATOM 852 HG23 ILE B 51 29.919 12.215 -12.380 1.00 0.00 H ATOM 853 H ILE B 51 31.130 12.455 -7.873 1.00 0.00 H ATOM 854 N GLN B 52 33.650 11.498 -10.065 1.00 34.57 N ATOM 855 CA GLN B 52 34.957 11.299 -10.699 1.00 35.38 C ATOM 856 C GLN B 52 35.684 10.102 -10.101 1.00 35.61 C ATOM 857 O GLN B 52 36.278 9.313 -10.833 1.00 35.76 O ATOM 858 CB GLN B 52 35.836 12.561 -10.541 1.00 35.55 C ATOM 859 CG GLN B 52 37.164 12.507 -11.286 1.00 37.15 C ATOM 860 CD GLN B 52 38.239 13.396 -10.661 1.00 39.43 C ATOM 861 OE1 GLN B 52 38.039 14.591 -10.466 1.00 40.20 O ATOM 862 NE2 GLN B 52 39.386 12.804 -10.343 1.00 40.18 N ATOM 863 HA GLN B 52 34.781 11.110 -11.758 1.00 0.00 H ATOM 864 HB2 GLN B 52 35.272 13.417 -10.912 1.00 0.00 H ATOM 865 HB3 GLN B 52 36.046 12.698 -9.480 1.00 0.00 H ATOM 866 HG2 GLN B 52 37.521 11.477 -11.285 1.00 0.00 H ATOM 867 HG3 GLN B 52 36.999 12.832 -12.313 1.00 0.00 H ATOM 868 HE22 GLN B 52 39.515 11.788 -10.525 1.00 0.00 H ATOM 869 HE21 GLN B 52 40.154 13.357 -9.912 1.00 0.00 H ATOM 870 H GLN B 52 33.497 12.358 -9.500 1.00 0.00 H ATOM 871 N LYS B 53 35.627 9.975 -8.773 1.00 36.08 N ATOM 872 CA LYS B 53 36.427 8.992 -8.024 1.00 36.60 C ATOM 873 C LYS B 53 35.735 7.655 -7.689 1.00 36.53 C ATOM 874 O LYS B 53 36.407 6.632 -7.575 1.00 36.32 O ATOM 875 CB LYS B 53 36.981 9.638 -6.749 1.00 36.70 C ATOM 876 CG LYS B 53 37.951 10.780 -7.034 1.00 39.46 C ATOM 877 CD LYS B 53 38.164 11.679 -5.827 1.00 42.81 C ATOM 878 CE LYS B 53 39.103 12.837 -6.181 1.00 44.89 C ATOM 879 NZ LYS B 53 39.624 13.534 -4.976 1.00 46.79 N ATOM 880 HA LYS B 53 37.227 8.710 -8.709 1.00 0.00 H ATOM 881 HB2 LYS B 53 36.147 10.028 -6.166 1.00 0.00 H ATOM 882 HB3 LYS B 53 37.502 8.875 -6.171 1.00 0.00 H ATOM 883 HG2 LYS B 53 38.911 10.358 -7.329 1.00 0.00 H ATOM 884 HG3 LYS B 53 37.553 11.381 -7.852 1.00 0.00 H ATOM 885 HD2 LYS B 53 37.204 12.081 -5.505 1.00 0.00 H ATOM 886 HD3 LYS B 53 38.602 11.096 -5.017 1.00 0.00 H ATOM 887 HE2 LYS B 53 38.558 13.556 -6.793 1.00 0.00 H ATOM 888 HE3 LYS B 53 39.946 12.443 -6.750 1.00 0.00 H ATOM 889 HZ1 LYS B 53 38.828 13.921 -4.430 1.00 0.00 H ATOM 890 HZ2 LYS B 53 40.154 12.859 -4.388 1.00 0.00 H ATOM 891 HZ3 LYS B 53 40.253 14.308 -5.270 1.00 0.00 H ATOM 892 H LYS B 53 34.987 10.600 -8.243 1.00 0.00 H ATOM 893 N CYS B 54 34.412 7.662 -7.525 1.00 36.11 N ATOM 894 CA CYS B 54 33.667 6.464 -7.070 1.00 36.31 C ATOM 895 C CYS B 54 33.828 5.212 -7.954 1.00 36.51 C ATOM 896 O CYS B 54 34.217 5.309 -9.120 1.00 36.49 O ATOM 897 CB CYS B 54 32.181 6.797 -6.941 1.00 36.19 C ATOM 898 SG CYS B 54 31.338 6.994 -8.528 1.00 36.66 S ATOM 899 HA CYS B 54 34.109 6.206 -6.107 1.00 0.00 H ATOM 900 HB2 CYS B 54 32.084 7.728 -6.382 1.00 0.00 H ATOM 901 HB3 CYS B 54 31.694 5.992 -6.391 1.00 0.00 H ATOM 902 HG CYS B 54 31.435 5.820 -9.247 1.00 0.00 H ATOM 903 H CYS B 54 33.885 8.537 -7.723 1.00 0.00 H ATOM 904 N LYS B 55 33.511 4.040 -7.403 1.00 36.57 N ATOM 905 CA LYS B 55 33.460 2.818 -8.206 1.00 36.78 C ATOM 906 C LYS B 55 32.372 2.955 -9.288 1.00 36.66 C ATOM 907 O LYS B 55 31.413 3.713 -9.097 1.00 36.87 O ATOM 908 CB LYS B 55 33.177 1.587 -7.340 1.00 37.17 C ATOM 909 CG LYS B 55 33.894 1.515 -6.003 1.00 38.58 C ATOM 910 CD LYS B 55 33.747 0.119 -5.430 1.00 40.11 C ATOM 911 CE LYS B 55 33.530 0.130 -3.923 1.00 41.97 C ATOM 912 NZ LYS B 55 33.722 -1.264 -3.377 1.00 41.93 N ATOM 913 HA LYS B 55 34.434 2.681 -8.675 1.00 0.00 H ATOM 914 HB2 LYS B 55 32.105 1.561 -7.142 1.00 0.00 H ATOM 915 HB3 LYS B 55 33.461 0.706 -7.915 1.00 0.00 H ATOM 916 HG2 LYS B 55 34.951 1.742 -6.144 1.00 0.00 H ATOM 917 HG3 LYS B 55 33.457 2.239 -5.316 1.00 0.00 H ATOM 918 HD2 LYS B 55 32.893 -0.366 -5.903 1.00 0.00 H ATOM 919 HD3 LYS B 55 34.652 -0.447 -5.649 1.00 0.00 H ATOM 920 HE2 LYS B 55 32.518 0.470 -3.704 1.00 0.00 H ATOM 921 HE3 LYS B 55 34.248 0.805 -3.457 1.00 0.00 H ATOM 922 HZ1 LYS B 55 33.036 -1.907 -3.822 1.00 0.00 H ATOM 923 HZ2 LYS B 55 34.688 -1.587 -3.586 1.00 0.00 H ATOM 924 HZ3 LYS B 55 33.574 -1.255 -2.348 1.00 0.00 H ATOM 925 H LYS B 55 33.297 3.994 -6.386 1.00 0.00 H ATOM 926 N PRO B 56 32.530 2.253 -10.438 1.00 36.53 N ATOM 927 CA PRO B 56 31.560 2.256 -11.551 1.00 36.41 C ATOM 928 C PRO B 56 30.091 2.043 -11.148 1.00 36.20 C ATOM 929 O PRO B 56 29.215 2.714 -11.695 1.00 36.24 O ATOM 930 CB PRO B 56 32.039 1.093 -12.430 1.00 36.32 C ATOM 931 CG PRO B 56 33.485 1.078 -12.236 1.00 36.64 C ATOM 932 CD PRO B 56 33.700 1.416 -10.766 1.00 36.42 C ATOM 933 HA PRO B 56 31.545 3.233 -12.033 1.00 0.00 H ATOM 934 HD3 PRO B 56 33.719 0.513 -10.156 1.00 0.00 H ATOM 935 HD2 PRO B 56 34.629 1.969 -10.623 1.00 0.00 H ATOM 936 HG3 PRO B 56 33.963 1.822 -12.873 1.00 0.00 H ATOM 937 HG2 PRO B 56 33.890 0.092 -12.464 1.00 0.00 H ATOM 938 HB2 PRO B 56 31.594 0.152 -12.105 1.00 0.00 H ATOM 939 HB3 PRO B 56 31.790 1.269 -13.476 1.00 0.00 H ATOM 940 N GLU B 57 29.833 1.123 -10.212 1.00 35.76 N ATOM 941 CA GLU B 57 28.471 0.860 -9.731 1.00 35.84 C ATOM 942 C GLU B 57 27.859 2.055 -8.998 1.00 35.59 C ATOM 943 O GLU B 57 26.668 2.051 -8.710 1.00 36.23 O ATOM 944 CB GLU B 57 28.403 -0.374 -8.824 1.00 35.86 C ATOM 945 CG GLU B 57 29.049 -0.217 -7.445 1.00 36.26 C ATOM 946 CD GLU B 57 30.428 -0.853 -7.373 1.00 37.39 C ATOM 947 OE1 GLU B 57 31.150 -0.845 -8.402 1.00 38.57 O ATOM 948 OE2 GLU B 57 30.786 -1.368 -6.290 1.00 36.74 O ATOM 949 HA GLU B 57 27.886 0.672 -10.631 1.00 0.00 H ATOM 950 HB2 GLU B 57 27.353 -0.625 -8.676 1.00 0.00 H ATOM 951 HB3 GLU B 57 28.902 -1.196 -9.337 1.00 0.00 H ATOM 952 HG2 GLU B 57 29.142 0.846 -7.221 1.00 0.00 H ATOM 953 HG3 GLU B 57 28.407 -0.689 -6.702 1.00 0.00 H ATOM 954 H GLU B 57 30.622 0.577 -9.812 1.00 0.00 H ATOM 955 N TYR B 58 28.669 3.065 -8.698 1.00 34.51 N ATOM 956 CA TYR B 58 28.170 4.233 -7.976 1.00 34.12 C ATOM 957 C TYR B 58 27.937 5.452 -8.858 1.00 34.01 C ATOM 958 O TYR B 58 27.458 6.473 -8.367 1.00 33.94 O ATOM 959 CB TYR B 58 29.081 4.575 -6.784 1.00 33.53 C ATOM 960 CG TYR B 58 28.996 3.571 -5.649 1.00 32.38 C ATOM 961 CD1 TYR B 58 27.848 3.482 -4.863 1.00 31.93 C ATOM 962 CD2 TYR B 58 30.055 2.711 -5.374 1.00 30.93 C ATOM 963 CE1 TYR B 58 27.757 2.574 -3.825 1.00 31.88 C ATOM 964 CE2 TYR B 58 29.978 1.796 -4.332 1.00 32.19 C ATOM 965 CZ TYR B 58 28.824 1.731 -3.562 1.00 32.28 C ATOM 966 OH TYR B 58 28.728 0.821 -2.533 1.00 31.36 O ATOM 967 HA TYR B 58 27.187 3.951 -7.600 1.00 0.00 H ATOM 968 HB3 TYR B 58 28.795 5.554 -6.401 1.00 0.00 H ATOM 969 HB2 TYR B 58 30.112 4.611 -7.136 1.00 0.00 H ATOM 970 HD2 TYR B 58 30.957 2.756 -5.985 1.00 0.00 H ATOM 971 HE2 TYR B 58 30.817 1.134 -4.120 1.00 0.00 H ATOM 972 HE1 TYR B 58 26.853 2.522 -3.218 1.00 0.00 H ATOM 973 HD1 TYR B 58 27.006 4.142 -5.071 1.00 0.00 H ATOM 974 HH TYR B 58 27.845 0.912 -2.094 1.00 0.00 H ATOM 975 H TYR B 58 29.669 3.023 -8.980 1.00 0.00 H ATOM 976 N LYS B 59 28.244 5.340 -10.154 1.00 34.43 N ATOM 977 CA LYS B 59 28.092 6.480 -11.080 1.00 35.17 C ATOM 978 C LYS B 59 26.614 6.846 -11.179 1.00 35.72 C ATOM 979 O LYS B 59 26.268 8.000 -10.994 1.00 36.84 O ATOM 980 CB LYS B 59 28.672 6.177 -12.480 1.00 35.16 C ATOM 981 CG LYS B 59 30.141 5.729 -12.529 1.00 34.97 C ATOM 982 CD LYS B 59 31.137 6.882 -12.304 1.00 35.31 C ATOM 983 CE LYS B 59 32.544 6.344 -12.126 1.00 36.18 C ATOM 984 NZ LYS B 59 33.562 7.400 -11.832 1.00 39.77 N ATOM 985 HA LYS B 59 28.659 7.322 -10.683 1.00 0.00 H ATOM 986 HB2 LYS B 59 28.069 5.386 -12.925 1.00 0.00 H ATOM 987 HB3 LYS B 59 28.581 7.082 -13.080 1.00 0.00 H ATOM 988 HG2 LYS B 59 30.300 4.978 -11.755 1.00 0.00 H ATOM 989 HG3 LYS B 59 30.336 5.288 -13.507 1.00 0.00 H ATOM 990 HD2 LYS B 59 31.114 7.549 -13.166 1.00 0.00 H ATOM 991 HD3 LYS B 59 30.849 7.436 -11.410 1.00 0.00 H ATOM 992 HE2 LYS B 59 32.835 5.832 -13.043 1.00 0.00 H ATOM 993 HE3 LYS B 59 32.538 5.633 -11.300 1.00 0.00 H ATOM 994 HZ1 LYS B 59 33.589 8.082 -12.617 1.00 0.00 H ATOM 995 HZ2 LYS B 59 33.305 7.892 -10.952 1.00 0.00 H ATOM 996 HZ3 LYS B 59 34.497 6.958 -11.723 1.00 0.00 H ATOM 997 H LYS B 59 28.597 4.432 -10.517 1.00 0.00 H ATOM 998 N VAL B 60 25.745 5.859 -11.448 1.00 35.74 N ATOM 999 CA VAL B 60 24.301 6.105 -11.532 1.00 35.50 C ATOM 1000 C VAL B 60 23.737 6.687 -10.195 1.00 35.38 C ATOM 1001 O VAL B 60 23.041 7.702 -10.220 1.00 35.54 O ATOM 1002 CB VAL B 60 23.501 4.859 -12.085 1.00 35.85 C ATOM 1003 CG1 VAL B 60 22.010 5.075 -11.995 1.00 36.17 C ATOM 1004 CG2 VAL B 60 23.873 4.558 -13.540 1.00 34.90 C ATOM 1005 HA VAL B 60 24.145 6.882 -12.281 1.00 0.00 H ATOM 1006 HB VAL B 60 23.777 4.010 -11.460 1.00 0.00 H ATOM 1007 HG11 VAL B 60 21.729 5.232 -10.954 1.00 0.00 H ATOM 1008 HG12 VAL B 60 21.735 5.951 -12.583 1.00 0.00 H ATOM 1009 HG13 VAL B 60 21.493 4.198 -12.384 1.00 0.00 H ATOM 1010 HG21 VAL B 60 23.639 5.423 -14.160 1.00 0.00 H ATOM 1011 HG22 VAL B 60 24.939 4.342 -13.604 1.00 0.00 H ATOM 1012 HG23 VAL B 60 23.304 3.696 -13.888 1.00 0.00 H ATOM 1013 H VAL B 60 26.104 4.895 -11.601 1.00 0.00 H ATOM 1014 N PRO B 61 24.038 6.059 -9.037 1.00 34.65 N ATOM 1015 CA PRO B 61 23.755 6.729 -7.753 1.00 34.57 C ATOM 1016 C PRO B 61 24.222 8.186 -7.622 1.00 34.05 C ATOM 1017 O PRO B 61 23.489 9.008 -7.077 1.00 34.97 O ATOM 1018 CB PRO B 61 24.459 5.827 -6.722 1.00 34.27 C ATOM 1019 CG PRO B 61 24.355 4.465 -7.333 1.00 34.93 C ATOM 1020 CD PRO B 61 24.556 4.689 -8.827 1.00 34.72 C ATOM 1021 HA PRO B 61 22.678 6.832 -7.623 1.00 0.00 H ATOM 1022 HD3 PRO B 61 25.611 4.625 -9.094 1.00 0.00 H ATOM 1023 HD2 PRO B 61 23.990 3.963 -9.411 1.00 0.00 H ATOM 1024 HG3 PRO B 61 23.374 4.031 -7.138 1.00 0.00 H ATOM 1025 HG2 PRO B 61 25.128 3.806 -6.936 1.00 0.00 H ATOM 1026 HB2 PRO B 61 25.501 6.120 -6.593 1.00 0.00 H ATOM 1027 HB3 PRO B 61 23.951 5.863 -5.758 1.00 0.00 H ATOM 1028 N GLY B 62 25.423 8.505 -8.094 1.00 33.77 N ATOM 1029 CA GLY B 62 25.894 9.870 -8.109 1.00 33.46 C ATOM 1030 C GLY B 62 25.006 10.751 -8.982 1.00 34.06 C ATOM 1031 O GLY B 62 24.673 11.881 -8.619 1.00 33.97 O ATOM 1032 HA3 GLY B 62 26.911 9.891 -8.501 1.00 0.00 H ATOM 1033 HA2 GLY B 62 25.890 10.259 -7.091 1.00 0.00 H ATOM 1034 H GLY B 62 26.039 7.752 -8.462 1.00 0.00 H ATOM 1035 N LEU B 63 24.629 10.237 -10.145 1.00 33.81 N ATOM 1036 CA LEU B 63 23.692 10.952 -10.989 1.00 33.58 C ATOM 1037 C LEU B 63 22.344 11.152 -10.305 1.00 33.81 C ATOM 1038 O LEU B 63 21.773 12.231 -10.411 1.00 34.36 O ATOM 1039 CB LEU B 63 23.529 10.282 -12.352 1.00 33.09 C ATOM 1040 CG LEU B 63 22.415 10.820 -13.253 1.00 33.06 C ATOM 1041 CD1 LEU B 63 22.669 12.261 -13.662 1.00 34.18 C ATOM 1042 CD2 LEU B 63 22.244 9.925 -14.487 1.00 33.39 C ATOM 1043 HA LEU B 63 24.117 11.941 -11.160 1.00 0.00 H ATOM 1044 HB2 LEU B 63 24.471 10.392 -12.889 1.00 0.00 H ATOM 1045 HB3 LEU B 63 23.332 9.224 -12.179 1.00 0.00 H ATOM 1046 HG LEU B 63 21.488 10.804 -12.679 1.00 0.00 H ATOM 1047 HD21 LEU B 63 23.177 9.903 -15.050 1.00 0.00 H ATOM 1048 HD22 LEU B 63 21.986 8.915 -14.169 1.00 0.00 H ATOM 1049 HD23 LEU B 63 21.448 10.323 -15.116 1.00 0.00 H ATOM 1050 HD11 LEU B 63 22.722 12.886 -12.771 1.00 0.00 H ATOM 1051 HD12 LEU B 63 23.611 12.322 -14.207 1.00 0.00 H ATOM 1052 HD13 LEU B 63 21.855 12.605 -14.301 1.00 0.00 H ATOM 1053 H LEU B 63 25.007 9.318 -10.452 1.00 0.00 H ATOM 1054 N TYR B 64 21.851 10.134 -9.598 1.00 33.87 N ATOM 1055 CA TYR B 64 20.609 10.268 -8.845 1.00 34.05 C ATOM 1056 C TYR B 64 20.687 11.334 -7.747 1.00 33.95 C ATOM 1057 O TYR B 64 19.696 11.964 -7.430 1.00 33.87 O ATOM 1058 CB TYR B 64 20.155 8.928 -8.249 1.00 34.07 C ATOM 1059 CG TYR B 64 19.574 7.951 -9.257 1.00 33.95 C ATOM 1060 CD1 TYR B 64 19.208 8.361 -10.545 1.00 34.25 C ATOM 1061 CD2 TYR B 64 19.382 6.609 -8.912 1.00 33.94 C ATOM 1062 CE1 TYR B 64 18.664 7.431 -11.481 1.00 35.26 C ATOM 1063 CE2 TYR B 64 18.823 5.691 -9.814 1.00 34.95 C ATOM 1064 CZ TYR B 64 18.477 6.103 -11.099 1.00 34.62 C ATOM 1065 OH TYR B 64 17.942 5.184 -11.981 1.00 34.75 O ATOM 1066 HA TYR B 64 19.863 10.599 -9.568 1.00 0.00 H ATOM 1067 HB3 TYR B 64 19.394 9.131 -7.495 1.00 0.00 H ATOM 1068 HB2 TYR B 64 21.017 8.457 -7.776 1.00 0.00 H ATOM 1069 HD2 TYR B 64 19.674 6.268 -7.919 1.00 0.00 H ATOM 1070 HE2 TYR B 64 18.660 4.657 -9.510 1.00 0.00 H ATOM 1071 HE1 TYR B 64 18.397 7.756 -12.486 1.00 0.00 H ATOM 1072 HD1 TYR B 64 19.340 9.403 -10.836 1.00 0.00 H ATOM 1073 HH TYR B 64 17.751 5.629 -12.844 1.00 0.00 H ATOM 1074 H TYR B 64 22.362 9.228 -9.583 1.00 0.00 H ATOM 1075 N VAL B 65 21.866 11.512 -7.166 1.00 34.46 N ATOM 1076 CA VAL B 65 22.114 12.626 -6.224 1.00 33.87 C ATOM 1077 C VAL B 65 21.934 13.995 -6.902 1.00 34.26 C ATOM 1078 O VAL B 65 21.249 14.866 -6.357 1.00 34.47 O ATOM 1079 CB VAL B 65 23.514 12.501 -5.543 1.00 33.75 C ATOM 1080 CG1 VAL B 65 23.864 13.773 -4.791 1.00 33.44 C ATOM 1081 CG2 VAL B 65 23.570 11.253 -4.599 1.00 32.12 C ATOM 1082 HA VAL B 65 21.363 12.556 -5.437 1.00 0.00 H ATOM 1083 HB VAL B 65 24.259 12.358 -6.326 1.00 0.00 H ATOM 1084 HG11 VAL B 65 23.885 14.611 -5.488 1.00 0.00 H ATOM 1085 HG12 VAL B 65 23.114 13.957 -4.022 1.00 0.00 H ATOM 1086 HG13 VAL B 65 24.843 13.661 -4.326 1.00 0.00 H ATOM 1087 HG21 VAL B 65 22.811 11.352 -3.823 1.00 0.00 H ATOM 1088 HG22 VAL B 65 23.382 10.350 -5.180 1.00 0.00 H ATOM 1089 HG23 VAL B 65 24.556 11.191 -4.139 1.00 0.00 H ATOM 1090 H VAL B 65 22.639 10.849 -7.379 1.00 0.00 H ATOM 1091 N ILE B 66 22.543 14.191 -8.078 1.00 34.28 N ATOM 1092 CA ILE B 66 22.311 15.418 -8.854 1.00 33.57 C ATOM 1093 C ILE B 66 20.823 15.616 -9.135 1.00 34.37 C ATOM 1094 O ILE B 66 20.253 16.656 -8.795 1.00 34.66 O ATOM 1095 CB ILE B 66 23.095 15.437 -10.199 1.00 33.53 C ATOM 1096 CG1 ILE B 66 24.605 15.347 -9.942 1.00 30.89 C ATOM 1097 CG2 ILE B 66 22.749 16.712 -11.028 1.00 31.84 C ATOM 1098 CD1 ILE B 66 25.387 15.056 -11.181 1.00 29.02 C ATOM 1099 HA ILE B 66 22.681 16.238 -8.239 1.00 0.00 H ATOM 1100 HB ILE B 66 22.793 14.567 -10.782 1.00 0.00 H ATOM 1101 HG12 ILE B 66 24.946 16.297 -9.530 1.00 0.00 H ATOM 1102 HG13 ILE B 66 24.789 14.552 -9.219 1.00 0.00 H ATOM 1103 HD11 ILE B 66 25.062 14.103 -11.599 1.00 0.00 H ATOM 1104 HD12 ILE B 66 25.219 15.849 -11.910 1.00 0.00 H ATOM 1105 HD13 ILE B 66 26.448 15.004 -10.936 1.00 0.00 H ATOM 1106 HG21 ILE B 66 21.681 16.724 -11.245 1.00 0.00 H ATOM 1107 HG22 ILE B 66 23.015 17.600 -10.454 1.00 0.00 H ATOM 1108 HG23 ILE B 66 23.310 16.700 -11.962 1.00 0.00 H ATOM 1109 H ILE B 66 23.189 13.465 -8.448 1.00 0.00 H ATOM 1110 N ASP B 67 20.184 14.610 -9.733 1.00 35.05 N ATOM 1111 CA ASP B 67 18.755 14.700 -10.018 1.00 35.33 C ATOM 1112 C ASP B 67 17.972 15.044 -8.749 1.00 36.01 C ATOM 1113 O ASP B 67 17.114 15.937 -8.745 1.00 36.12 O ATOM 1114 CB ASP B 67 18.255 13.382 -10.588 1.00 35.55 C ATOM 1115 CG ASP B 67 16.801 13.436 -10.962 1.00 35.80 C ATOM 1116 OD1 ASP B 67 16.467 14.209 -11.897 1.00 36.42 O ATOM 1117 OD2 ASP B 67 16.000 12.725 -10.318 1.00 34.39 O ATOM 1118 HA ASP B 67 18.599 15.493 -10.750 1.00 0.00 H ATOM 1119 HB2 ASP B 67 18.837 13.141 -11.478 1.00 0.00 H ATOM 1120 HB3 ASP B 67 18.396 12.601 -9.841 1.00 0.00 H ATOM 1121 H ASP B 67 20.709 13.753 -9.999 1.00 0.00 H ATOM 1122 N SER B 68 18.276 14.337 -7.665 1.00 35.59 N ATOM 1123 CA SER B 68 17.513 14.508 -6.441 1.00 36.40 C ATOM 1124 C SER B 68 17.677 15.914 -5.826 1.00 35.47 C ATOM 1125 O SER B 68 16.701 16.531 -5.434 1.00 36.19 O ATOM 1126 CB SER B 68 17.868 13.416 -5.436 1.00 36.12 C ATOM 1127 OG SER B 68 16.934 13.431 -4.379 1.00 37.44 O ATOM 1128 HA SER B 68 16.459 14.413 -6.702 1.00 0.00 H ATOM 1129 HB2 SER B 68 18.868 13.596 -5.041 1.00 0.00 H ATOM 1130 HB3 SER B 68 17.843 12.445 -5.930 1.00 0.00 H ATOM 1131 HG SER B 68 16.958 14.314 -3.931 1.00 0.00 H ATOM 1132 H SER B 68 19.064 13.658 -7.694 1.00 0.00 H ATOM 1133 N ILE B 69 18.907 16.408 -5.780 1.00 35.25 N ATOM 1134 CA ILE B 69 19.208 17.732 -5.247 1.00 34.87 C ATOM 1135 C ILE B 69 18.597 18.822 -6.097 1.00 34.85 C ATOM 1136 O ILE B 69 17.991 19.736 -5.567 1.00 35.07 O ATOM 1137 CB ILE B 69 20.712 17.979 -5.119 1.00 34.94 C ATOM 1138 CG1 ILE B 69 21.291 17.123 -3.983 1.00 35.83 C ATOM 1139 CG2 ILE B 69 21.002 19.478 -4.892 1.00 33.50 C ATOM 1140 CD1 ILE B 69 22.852 16.983 -4.011 1.00 35.24 C ATOM 1141 HA ILE B 69 18.768 17.761 -4.250 1.00 0.00 H ATOM 1142 HB ILE B 69 21.197 17.687 -6.050 1.00 0.00 H ATOM 1143 HG12 ILE B 69 21.006 17.577 -3.034 1.00 0.00 H ATOM 1144 HG13 ILE B 69 20.857 16.125 -4.052 1.00 0.00 H ATOM 1145 HD11 ILE B 69 23.157 16.518 -4.948 1.00 0.00 H ATOM 1146 HD12 ILE B 69 23.306 17.971 -3.929 1.00 0.00 H ATOM 1147 HD13 ILE B 69 23.175 16.363 -3.175 1.00 0.00 H ATOM 1148 HG21 ILE B 69 20.621 20.052 -5.736 1.00 0.00 H ATOM 1149 HG22 ILE B 69 20.511 19.807 -3.976 1.00 0.00 H ATOM 1150 HG23 ILE B 69 22.078 19.629 -4.804 1.00 0.00 H ATOM 1151 H ILE B 69 19.691 15.826 -6.139 1.00 0.00 H ATOM 1152 N VAL B 70 18.751 18.714 -7.411 1.00 35.13 N ATOM 1153 CA VAL B 70 18.242 19.729 -8.329 1.00 35.66 C ATOM 1154 C VAL B 70 16.728 19.829 -8.220 1.00 35.53 C ATOM 1155 O VAL B 70 16.184 20.915 -8.045 1.00 35.70 O ATOM 1156 CB VAL B 70 18.690 19.460 -9.787 1.00 35.51 C ATOM 1157 CG1 VAL B 70 17.895 20.308 -10.735 1.00 36.84 C ATOM 1158 CG2 VAL B 70 20.166 19.794 -9.943 1.00 35.92 C ATOM 1159 HA VAL B 70 18.669 20.689 -8.041 1.00 0.00 H ATOM 1160 HB VAL B 70 18.524 18.407 -10.014 1.00 0.00 H ATOM 1161 HG11 VAL B 70 16.837 20.068 -10.635 1.00 0.00 H ATOM 1162 HG12 VAL B 70 18.054 21.360 -10.500 1.00 0.00 H ATOM 1163 HG13 VAL B 70 18.219 20.110 -11.757 1.00 0.00 H ATOM 1164 HG21 VAL B 70 20.326 20.845 -9.704 1.00 0.00 H ATOM 1165 HG22 VAL B 70 20.751 19.173 -9.265 1.00 0.00 H ATOM 1166 HG23 VAL B 70 20.474 19.602 -10.971 1.00 0.00 H ATOM 1167 H VAL B 70 19.247 17.885 -7.797 1.00 0.00 H ATOM 1168 N ARG B 71 16.060 18.682 -8.286 1.00 35.61 N ATOM 1169 CA ARG B 71 14.604 18.626 -8.210 1.00 35.74 C ATOM 1170 C ARG B 71 14.065 19.115 -6.867 1.00 34.85 C ATOM 1171 O ARG B 71 13.060 19.816 -6.813 1.00 34.88 O ATOM 1172 CB ARG B 71 14.114 17.209 -8.533 1.00 35.45 C ATOM 1173 CG ARG B 71 14.198 16.885 -10.035 1.00 37.04 C ATOM 1174 CD ARG B 71 13.840 15.438 -10.374 1.00 38.06 C ATOM 1175 NE ARG B 71 12.556 15.043 -9.810 1.00 44.77 N ATOM 1176 CZ ARG B 71 12.391 14.114 -8.872 1.00 45.90 C ATOM 1177 NH1 ARG B 71 13.426 13.430 -8.394 1.00 47.22 N ATOM 1178 NH2 ARG B 71 11.176 13.863 -8.420 1.00 48.64 N ATOM 1179 HA ARG B 71 14.209 19.313 -8.959 1.00 0.00 H ATOM 1180 HB2 ARG B 71 14.728 16.493 -7.986 1.00 0.00 H ATOM 1181 HB3 ARG B 71 13.076 17.116 -8.212 1.00 0.00 H ATOM 1182 HG2 ARG B 71 13.512 17.543 -10.568 1.00 0.00 H ATOM 1183 HG3 ARG B 71 15.217 17.075 -10.372 1.00 0.00 H ATOM 1184 HD2 ARG B 71 14.615 14.782 -9.977 1.00 0.00 H ATOM 1185 HD3 ARG B 71 13.795 15.332 -11.458 1.00 0.00 H ATOM 1186 HE ARG B 71 11.705 15.523 -10.167 1.00 0.00 H ATOM 1187 HH12 ARG B 71 13.278 12.707 -7.661 1.00 0.00 H ATOM 1188 HH11 ARG B 71 14.384 13.617 -8.753 1.00 0.00 H ATOM 1189 HH22 ARG B 71 11.033 13.139 -7.687 1.00 0.00 H ATOM 1190 HH21 ARG B 71 10.362 14.389 -8.797 1.00 0.00 H ATOM 1191 H ARG B 71 16.592 17.795 -8.395 1.00 0.00 H ATOM 1192 N GLN B 72 14.744 18.760 -5.784 1.00 33.87 N ATOM 1193 CA GLN B 72 14.327 19.202 -4.458 1.00 33.30 C ATOM 1194 C GLN B 72 14.475 20.718 -4.282 1.00 32.42 C ATOM 1195 O GLN B 72 13.603 21.369 -3.720 1.00 31.11 O ATOM 1196 CB GLN B 72 15.133 18.470 -3.377 1.00 33.63 C ATOM 1197 CG GLN B 72 14.706 18.799 -1.951 1.00 34.76 C ATOM 1198 CD GLN B 72 13.229 18.531 -1.718 1.00 36.97 C ATOM 1199 OE1 GLN B 72 12.739 17.440 -2.001 1.00 39.76 O ATOM 1200 NE2 GLN B 72 12.519 19.522 -1.208 1.00 35.51 N ATOM 1201 HA GLN B 72 13.270 18.959 -4.353 1.00 0.00 H ATOM 1202 HB2 GLN B 72 15.016 17.397 -3.530 1.00 0.00 H ATOM 1203 HB3 GLN B 72 16.183 18.740 -3.491 1.00 0.00 H ATOM 1204 HG2 GLN B 72 15.287 18.188 -1.260 1.00 0.00 H ATOM 1205 HG3 GLN B 72 14.906 19.853 -1.759 1.00 0.00 H ATOM 1206 HE22 GLN B 72 12.977 20.428 -0.984 1.00 0.00 H ATOM 1207 HE21 GLN B 72 11.502 19.396 -1.031 1.00 0.00 H ATOM 1208 H GLN B 72 15.586 18.158 -5.882 1.00 0.00 H ATOM 1209 N SER B 73 15.591 21.253 -4.772 1.00 32.07 N ATOM 1210 CA SER B 73 15.886 22.675 -4.710 1.00 31.85 C ATOM 1211 C SER B 73 14.913 23.489 -5.573 1.00 31.92 C ATOM 1212 O SER B 73 14.482 24.571 -5.176 1.00 31.71 O ATOM 1213 CB SER B 73 17.323 22.908 -5.165 1.00 32.09 C ATOM 1214 OG SER B 73 17.629 24.288 -5.229 1.00 30.87 O ATOM 1215 HA SER B 73 15.766 23.011 -3.680 1.00 0.00 H ATOM 1216 HB2 SER B 73 17.458 22.469 -6.153 1.00 0.00 H ATOM 1217 HB3 SER B 73 18.001 22.427 -4.460 1.00 0.00 H ATOM 1218 HG SER B 73 18.566 24.404 -5.527 1.00 0.00 H ATOM 1219 H SER B 73 16.286 20.623 -5.221 1.00 0.00 H ATOM 1220 N ARG B 74 14.552 22.960 -6.743 1.00 31.28 N ATOM 1221 CA ARG B 74 13.588 23.640 -7.582 1.00 31.55 C ATOM 1222 C ARG B 74 12.237 23.632 -6.887 1.00 31.35 C ATOM 1223 O ARG B 74 11.494 24.616 -6.932 1.00 31.25 O ATOM 1224 CB ARG B 74 13.502 22.981 -8.952 1.00 31.16 C ATOM 1225 CG ARG B 74 14.678 23.309 -9.847 1.00 32.28 C ATOM 1226 CD ARG B 74 14.826 22.303 -11.000 1.00 33.76 C ATOM 1227 NE ARG B 74 13.607 22.185 -11.803 1.00 34.79 N ATOM 1228 CZ ARG B 74 13.251 23.039 -12.757 1.00 35.04 C ATOM 1229 NH1 ARG B 74 14.023 24.073 -13.049 1.00 34.13 N ATOM 1230 NH2 ARG B 74 12.125 22.848 -13.433 1.00 37.45 N ATOM 1231 HA ARG B 74 13.906 24.671 -7.738 1.00 0.00 H ATOM 1232 HB2 ARG B 74 13.462 21.900 -8.815 1.00 0.00 H ATOM 1233 HB3 ARG B 74 12.589 23.318 -9.442 1.00 0.00 H ATOM 1234 HG2 ARG B 74 14.534 24.305 -10.266 1.00 0.00 H ATOM 1235 HG3 ARG B 74 15.589 23.295 -9.249 1.00 0.00 H ATOM 1236 HD2 ARG B 74 15.065 21.325 -10.582 1.00 0.00 H ATOM 1237 HD3 ARG B 74 15.640 22.630 -11.647 1.00 0.00 H ATOM 1238 HE ARG B 74 12.978 21.379 -11.614 1.00 0.00 H ATOM 1239 HH12 ARG B 74 13.740 24.739 -13.796 1.00 0.00 H ATOM 1240 HH11 ARG B 74 14.913 24.220 -12.531 1.00 0.00 H ATOM 1241 HH22 ARG B 74 11.847 23.517 -14.179 1.00 0.00 H ATOM 1242 HH21 ARG B 74 11.521 22.030 -13.216 1.00 0.00 H ATOM 1243 H ARG B 74 14.964 22.057 -7.053 1.00 0.00 H ATOM 1244 N HIS B 75 11.923 22.517 -6.236 1.00 31.13 N ATOM 1245 CA HIS B 75 10.650 22.399 -5.537 1.00 30.98 C ATOM 1246 C HIS B 75 10.635 23.319 -4.317 1.00 30.66 C ATOM 1247 O HIS B 75 9.642 24.008 -4.049 1.00 30.07 O ATOM 1248 CB HIS B 75 10.423 20.950 -5.097 1.00 31.75 C ATOM 1249 CG HIS B 75 9.120 20.736 -4.398 1.00 30.57 C ATOM 1250 ND1 HIS B 75 7.943 20.522 -5.076 1.00 31.05 N ATOM 1251 CD2 HIS B 75 8.808 20.713 -3.083 1.00 32.27 C ATOM 1252 CE1 HIS B 75 6.959 20.369 -4.209 1.00 32.09 C ATOM 1253 NE2 HIS B 75 7.453 20.495 -2.991 1.00 32.48 N ATOM 1254 HA HIS B 75 9.849 22.694 -6.215 1.00 0.00 H ATOM 1255 HB2 HIS B 75 10.449 20.313 -5.981 1.00 0.00 H ATOM 1256 HB3 HIS B 75 11.229 20.664 -4.421 1.00 0.00 H ATOM 1257 HD2 HIS B 75 9.500 20.843 -2.251 1.00 0.00 H ATOM 1258 HE1 HIS B 75 5.916 20.172 -4.457 1.00 0.00 H ATOM 1259 H HIS B 75 12.592 21.721 -6.225 1.00 0.00 H ATOM 1260 N GLN B 76 11.760 23.339 -3.607 1.00 30.09 N ATOM 1261 CA GLN B 76 11.865 24.046 -2.346 1.00 30.25 C ATOM 1262 C GLN B 76 12.112 25.544 -2.475 1.00 30.09 C ATOM 1263 O GLN B 76 11.582 26.308 -1.688 1.00 29.64 O ATOM 1264 CB GLN B 76 12.943 23.416 -1.474 1.00 29.83 C ATOM 1265 CG GLN B 76 12.789 23.739 0.000 1.00 30.94 C ATOM 1266 CD GLN B 76 13.599 22.807 0.862 1.00 31.03 C ATOM 1267 OE1 GLN B 76 13.865 21.667 0.480 1.00 33.45 O ATOM 1268 NE2 GLN B 76 13.984 23.275 2.029 1.00 30.17 N ATOM 1269 HA GLN B 76 10.886 23.946 -1.877 1.00 0.00 H ATOM 1270 HB2 GLN B 76 12.899 22.334 -1.598 1.00 0.00 H ATOM 1271 HB3 GLN B 76 13.915 23.780 -1.808 1.00 0.00 H ATOM 1272 HG2 GLN B 76 13.123 24.762 0.175 1.00 0.00 H ATOM 1273 HG3 GLN B 76 11.738 23.650 0.274 1.00 0.00 H ATOM 1274 HE22 GLN B 76 13.735 24.245 2.308 1.00 0.00 H ATOM 1275 HE21 GLN B 76 14.538 22.675 2.673 1.00 0.00 H ATOM 1276 H GLN B 76 12.592 22.830 -3.969 1.00 0.00 H ATOM 1277 N PHE B 77 12.904 25.960 -3.459 1.00 30.46 N ATOM 1278 CA PHE B 77 13.257 27.370 -3.589 1.00 31.33 C ATOM 1279 C PHE B 77 12.668 28.071 -4.804 1.00 31.91 C ATOM 1280 O PHE B 77 12.812 29.288 -4.943 1.00 31.24 O ATOM 1281 CB PHE B 77 14.770 27.538 -3.563 1.00 31.30 C ATOM 1282 CG PHE B 77 15.398 27.014 -2.311 1.00 32.07 C ATOM 1283 CD1 PHE B 77 15.473 27.807 -1.177 1.00 31.03 C ATOM 1284 CD2 PHE B 77 15.884 25.711 -2.258 1.00 31.13 C ATOM 1285 CE1 PHE B 77 16.043 27.311 -0.008 1.00 31.20 C ATOM 1286 CE2 PHE B 77 16.429 25.217 -1.109 1.00 31.43 C ATOM 1287 CZ PHE B 77 16.511 26.029 0.032 1.00 31.49 C ATOM 1288 HA PHE B 77 12.804 27.861 -2.728 1.00 0.00 H ATOM 1289 HB2 PHE B 77 15.193 27.003 -4.413 1.00 0.00 H ATOM 1290 HB3 PHE B 77 15.003 28.599 -3.650 1.00 0.00 H ATOM 1291 HD2 PHE B 77 15.829 25.078 -3.144 1.00 0.00 H ATOM 1292 HE2 PHE B 77 16.800 24.193 -1.078 1.00 0.00 H ATOM 1293 HZ PHE B 77 16.948 25.637 0.950 1.00 0.00 H ATOM 1294 HE1 PHE B 77 16.116 27.946 0.875 1.00 0.00 H ATOM 1295 HD1 PHE B 77 15.083 28.825 -1.201 1.00 0.00 H ATOM 1296 H PHE B 77 13.276 25.272 -4.144 1.00 0.00 H ATOM 1297 N GLY B 78 12.004 27.297 -5.666 1.00 32.59 N ATOM 1298 CA GLY B 78 11.480 27.791 -6.930 1.00 33.24 C ATOM 1299 C GLY B 78 12.390 27.396 -8.080 1.00 33.79 C ATOM 1300 O GLY B 78 13.611 27.468 -7.953 1.00 33.55 O ATOM 1301 HA3 GLY B 78 11.408 28.878 -6.887 1.00 0.00 H ATOM 1302 HA2 GLY B 78 10.489 27.369 -7.096 1.00 0.00 H ATOM 1303 H GLY B 78 11.855 26.297 -5.423 1.00 0.00 H ATOM 1304 N GLN B 79 11.787 26.990 -9.198 1.00 34.54 N ATOM 1305 CA GLN B 79 12.502 26.646 -10.438 1.00 35.70 C ATOM 1306 C GLN B 79 13.581 27.646 -10.820 1.00 35.58 C ATOM 1307 O GLN B 79 14.717 27.259 -11.119 1.00 35.94 O ATOM 1308 CB GLN B 79 11.536 26.597 -11.614 1.00 35.80 C ATOM 1309 CG GLN B 79 10.660 25.375 -11.734 1.00 37.49 C ATOM 1310 CD GLN B 79 9.821 25.414 -13.008 1.00 37.58 C ATOM 1311 OE1 GLN B 79 10.205 26.028 -14.012 1.00 39.83 O ATOM 1312 NE2 GLN B 79 8.666 24.760 -12.971 1.00 40.62 N ATOM 1313 HA GLN B 79 12.963 25.680 -10.234 1.00 0.00 H ATOM 1314 HB2 GLN B 79 10.881 27.465 -11.537 1.00 0.00 H ATOM 1315 HB3 GLN B 79 12.126 26.669 -12.527 1.00 0.00 H ATOM 1316 HG2 GLN B 79 11.291 24.486 -11.752 1.00 0.00 H ATOM 1317 HG3 GLN B 79 9.994 25.329 -10.872 1.00 0.00 H ATOM 1318 HE22 GLN B 79 8.381 24.257 -12.107 1.00 0.00 H ATOM 1319 HE21 GLN B 79 8.046 24.751 -13.806 1.00 0.00 H ATOM 1320 H GLN B 79 10.750 26.912 -9.194 1.00 0.00 H ATOM 1321 N GLU B 80 13.202 28.923 -10.823 1.00 35.14 N ATOM 1322 CA GLU B 80 14.045 30.016 -11.299 1.00 35.68 C ATOM 1323 C GLU B 80 14.932 30.603 -10.199 1.00 35.19 C ATOM 1324 O GLU B 80 15.789 31.443 -10.479 1.00 35.33 O ATOM 1325 CB GLU B 80 13.179 31.136 -11.925 1.00 35.41 C ATOM 1326 CG GLU B 80 12.493 30.768 -13.261 1.00 36.44 C ATOM 1327 CD GLU B 80 11.661 31.915 -13.862 1.00 37.56 C ATOM 1328 OE1 GLU B 80 11.444 32.947 -13.174 1.00 40.13 O ATOM 1329 OE2 GLU B 80 11.221 31.788 -15.033 1.00 39.80 O ATOM 1330 HA GLU B 80 14.704 29.592 -12.057 1.00 0.00 H ATOM 1331 HB2 GLU B 80 12.402 31.402 -11.209 1.00 0.00 H ATOM 1332 HB3 GLU B 80 13.820 32.000 -12.101 1.00 0.00 H ATOM 1333 HG2 GLU B 80 13.264 30.488 -13.979 1.00 0.00 H ATOM 1334 HG3 GLU B 80 11.834 29.918 -13.088 1.00 0.00 H ATOM 1335 H GLU B 80 12.253 29.154 -10.466 1.00 0.00 H ATOM 1336 N LYS B 81 14.719 30.185 -8.949 1.00 34.71 N ATOM 1337 CA LYS B 81 15.583 30.638 -7.860 1.00 34.44 C ATOM 1338 C LYS B 81 16.659 29.589 -7.504 1.00 34.44 C ATOM 1339 O LYS B 81 17.643 29.902 -6.830 1.00 34.24 O ATOM 1340 CB LYS B 81 14.750 31.056 -6.627 1.00 34.40 C ATOM 1341 CG LYS B 81 13.676 32.145 -6.914 1.00 34.81 C ATOM 1342 CD LYS B 81 14.292 33.482 -7.450 1.00 33.86 C ATOM 1343 CE LYS B 81 13.169 34.614 -7.166 1.00 37.32 C ATOM 1344 NZ LYS B 81 12.004 34.696 -8.236 1.00 40.03 N ATOM 1345 HA LYS B 81 16.116 31.522 -8.209 1.00 0.00 H ATOM 1346 HB2 LYS B 81 14.244 30.171 -6.242 1.00 0.00 H ATOM 1347 HB3 LYS B 81 15.432 31.441 -5.869 1.00 0.00 H ATOM 1348 HG2 LYS B 81 12.980 31.759 -7.659 1.00 0.00 H ATOM 1349 HG3 LYS B 81 13.138 32.355 -5.990 1.00 0.00 H ATOM 1350 HD2 LYS B 81 15.215 33.717 -6.919 1.00 0.00 H ATOM 1351 HD3 LYS B 81 14.497 33.407 -8.518 1.00 0.00 H ATOM 1352 HE2 LYS B 81 13.667 35.583 -7.136 1.00 0.00 H ATOM 1353 HE3 LYS B 81 12.720 34.407 -6.194 1.00 0.00 H ATOM 1354 HZ1 LYS B 81 12.408 34.908 -9.171 1.00 0.00 H ATOM 1355 HZ2 LYS B 81 11.503 33.785 -8.272 1.00 0.00 H ATOM 1356 HZ3 LYS B 81 11.339 35.448 -7.966 1.00 0.00 H ATOM 1357 H LYS B 81 13.934 29.533 -8.749 1.00 0.00 H ATOM 1358 N ASP B 82 16.463 28.359 -7.979 1.00 34.27 N ATOM 1359 CA ASP B 82 17.417 27.252 -7.785 1.00 34.30 C ATOM 1360 C ASP B 82 18.851 27.605 -8.205 1.00 34.01 C ATOM 1361 O ASP B 82 19.098 27.988 -9.352 1.00 33.43 O ATOM 1362 CB ASP B 82 16.942 25.987 -8.535 1.00 34.10 C ATOM 1363 CG ASP B 82 18.021 24.880 -8.596 1.00 34.99 C ATOM 1364 OD1 ASP B 82 18.580 24.508 -7.547 1.00 33.33 O ATOM 1365 OD2 ASP B 82 18.307 24.371 -9.700 1.00 35.39 O ATOM 1366 HA ASP B 82 17.442 27.057 -6.713 1.00 0.00 H ATOM 1367 HB2 ASP B 82 16.064 25.589 -8.025 1.00 0.00 H ATOM 1368 HB3 ASP B 82 16.673 26.267 -9.554 1.00 0.00 H ATOM 1369 H ASP B 82 15.592 28.170 -8.514 1.00 0.00 H ATOM 1370 N VAL B 83 19.779 27.445 -7.263 1.00 33.81 N ATOM 1371 CA VAL B 83 21.211 27.638 -7.498 1.00 33.61 C ATOM 1372 C VAL B 83 21.955 26.391 -8.028 1.00 33.22 C ATOM 1373 O VAL B 83 23.041 26.512 -8.602 1.00 32.67 O ATOM 1374 CB VAL B 83 21.935 28.121 -6.199 1.00 33.72 C ATOM 1375 CG1 VAL B 83 21.354 29.414 -5.706 1.00 33.87 C ATOM 1376 CG2 VAL B 83 21.866 27.062 -5.095 1.00 35.00 C ATOM 1377 HA VAL B 83 21.252 28.397 -8.279 1.00 0.00 H ATOM 1378 HB VAL B 83 22.982 28.283 -6.455 1.00 0.00 H ATOM 1379 HG11 VAL B 83 21.468 30.179 -6.474 1.00 0.00 H ATOM 1380 HG12 VAL B 83 20.296 29.274 -5.485 1.00 0.00 H ATOM 1381 HG13 VAL B 83 21.878 29.725 -4.802 1.00 0.00 H ATOM 1382 HG21 VAL B 83 20.823 26.857 -4.855 1.00 0.00 H ATOM 1383 HG22 VAL B 83 22.347 26.147 -5.440 1.00 0.00 H ATOM 1384 HG23 VAL B 83 22.379 27.431 -4.207 1.00 0.00 H ATOM 1385 H VAL B 83 19.470 27.168 -6.309 1.00 0.00 H ATOM 1386 N PHE B 84 21.389 25.201 -7.818 1.00 33.21 N ATOM 1387 CA PHE B 84 22.104 23.945 -8.093 1.00 32.94 C ATOM 1388 C PHE B 84 22.226 23.552 -9.561 1.00 33.42 C ATOM 1389 O PHE B 84 23.327 23.193 -9.987 1.00 33.93 O ATOM 1390 CB PHE B 84 21.542 22.774 -7.275 1.00 32.81 C ATOM 1391 CG PHE B 84 21.924 22.809 -5.821 1.00 32.41 C ATOM 1392 CD1 PHE B 84 23.209 22.428 -5.408 1.00 33.16 C ATOM 1393 CD2 PHE B 84 21.004 23.213 -4.861 1.00 32.57 C ATOM 1394 CE1 PHE B 84 23.574 22.451 -4.047 1.00 32.19 C ATOM 1395 CE2 PHE B 84 21.354 23.238 -3.490 1.00 33.34 C ATOM 1396 CZ PHE B 84 22.651 22.861 -3.090 1.00 32.51 C ATOM 1397 HA PHE B 84 23.122 24.165 -7.772 1.00 0.00 H ATOM 1398 HB2 PHE B 84 20.454 22.796 -7.345 1.00 0.00 H ATOM 1399 HB3 PHE B 84 21.914 21.844 -7.706 1.00 0.00 H ATOM 1400 HD2 PHE B 84 20.002 23.514 -5.167 1.00 0.00 H ATOM 1401 HE2 PHE B 84 20.621 23.548 -2.745 1.00 0.00 H ATOM 1402 HZ PHE B 84 22.930 22.890 -2.037 1.00 0.00 H ATOM 1403 HE1 PHE B 84 24.577 22.148 -3.745 1.00 0.00 H ATOM 1404 HD1 PHE B 84 23.938 22.109 -6.153 1.00 0.00 H ATOM 1405 H PHE B 84 20.417 25.160 -7.450 1.00 0.00 H ATOM 1406 N ALA B 85 21.116 23.581 -10.309 1.00 32.85 N ATOM 1407 CA ALA B 85 21.132 23.300 -11.766 1.00 33.55 C ATOM 1408 C ALA B 85 22.100 24.190 -12.549 1.00 33.66 C ATOM 1409 O ALA B 85 22.885 23.660 -13.327 1.00 34.42 O ATOM 1410 CB ALA B 85 19.708 23.353 -12.393 1.00 32.97 C ATOM 1411 HA ALA B 85 21.504 22.279 -11.852 1.00 0.00 H ATOM 1412 HB1 ALA B 85 19.073 22.609 -11.912 1.00 0.00 H ATOM 1413 HB2 ALA B 85 19.284 24.346 -12.244 1.00 0.00 H ATOM 1414 HB3 ALA B 85 19.774 23.141 -13.460 1.00 0.00 H ATOM 1415 H ALA B 85 20.210 23.809 -9.852 1.00 0.00 H ATOM 1416 N PRO B 86 22.065 25.537 -12.344 1.00 33.80 N ATOM 1417 CA PRO B 86 23.014 26.369 -13.094 1.00 33.16 C ATOM 1418 C PRO B 86 24.458 26.071 -12.721 1.00 32.71 C ATOM 1419 O PRO B 86 25.310 26.014 -13.601 1.00 31.84 O ATOM 1420 CB PRO B 86 22.649 27.803 -12.684 1.00 33.63 C ATOM 1421 CG PRO B 86 21.308 27.717 -12.072 1.00 33.97 C ATOM 1422 CD PRO B 86 21.206 26.361 -11.473 1.00 33.51 C ATOM 1423 HA PRO B 86 22.945 26.189 -14.167 1.00 0.00 H ATOM 1424 HD3 PRO B 86 21.574 26.359 -10.447 1.00 0.00 H ATOM 1425 HD2 PRO B 86 20.176 26.004 -11.489 1.00 0.00 H ATOM 1426 HG3 PRO B 86 20.538 27.853 -12.831 1.00 0.00 H ATOM 1427 HG2 PRO B 86 21.196 28.479 -11.301 1.00 0.00 H ATOM 1428 HB2 PRO B 86 23.371 28.188 -11.964 1.00 0.00 H ATOM 1429 HB3 PRO B 86 22.627 28.454 -13.558 1.00 0.00 H ATOM 1430 N ARG B 87 24.723 25.903 -11.424 1.00 32.39 N ATOM 1431 CA ARG B 87 26.042 25.465 -10.940 1.00 32.38 C ATOM 1432 C ARG B 87 26.495 24.081 -11.465 1.00 31.68 C ATOM 1433 O ARG B 87 27.626 23.934 -11.900 1.00 31.76 O ATOM 1434 CB ARG B 87 26.110 25.519 -9.408 1.00 32.69 C ATOM 1435 CG ARG B 87 27.515 25.312 -8.830 1.00 33.42 C ATOM 1436 CD ARG B 87 28.389 26.559 -8.989 1.00 34.82 C ATOM 1437 NE ARG B 87 29.788 26.249 -8.685 1.00 35.88 N ATOM 1438 CZ ARG B 87 30.808 27.101 -8.810 1.00 35.47 C ATOM 1439 NH1 ARG B 87 30.603 28.336 -9.249 1.00 36.58 N ATOM 1440 NH2 ARG B 87 32.040 26.710 -8.492 1.00 33.53 N ATOM 1441 HA ARG B 87 26.752 26.178 -11.359 1.00 0.00 H ATOM 1442 HB2 ARG B 87 25.748 26.495 -9.084 1.00 0.00 H ATOM 1443 HB3 ARG B 87 25.459 24.741 -9.010 1.00 0.00 H ATOM 1444 HG2 ARG B 87 27.428 25.075 -7.770 1.00 0.00 H ATOM 1445 HG3 ARG B 87 27.991 24.480 -9.349 1.00 0.00 H ATOM 1446 HD2 ARG B 87 28.037 27.333 -8.307 1.00 0.00 H ATOM 1447 HD3 ARG B 87 28.316 26.920 -10.015 1.00 0.00 H ATOM 1448 HE ARG B 87 30.003 25.290 -8.345 1.00 0.00 H ATOM 1449 HH12 ARG B 87 31.403 28.994 -9.344 1.00 0.00 H ATOM 1450 HH11 ARG B 87 29.642 28.646 -9.499 1.00 0.00 H ATOM 1451 HH22 ARG B 87 32.837 27.372 -8.588 1.00 0.00 H ATOM 1452 HH21 ARG B 87 32.206 25.743 -8.147 1.00 0.00 H ATOM 1453 H ARG B 87 23.971 26.088 -10.730 1.00 0.00 H ATOM 1454 N PHE B 88 25.626 23.076 -11.410 1.00 31.81 N ATOM 1455 CA PHE B 88 25.938 21.744 -11.974 1.00 32.32 C ATOM 1456 C PHE B 88 26.202 21.794 -13.475 1.00 33.11 C ATOM 1457 O PHE B 88 27.009 21.000 -13.981 1.00 32.87 O ATOM 1458 CB PHE B 88 24.831 20.713 -11.697 1.00 31.97 C ATOM 1459 CG PHE B 88 24.956 20.010 -10.365 1.00 32.45 C ATOM 1460 CD1 PHE B 88 26.071 19.231 -10.071 1.00 30.80 C ATOM 1461 CD2 PHE B 88 23.935 20.097 -9.419 1.00 31.65 C ATOM 1462 CE1 PHE B 88 26.172 18.578 -8.854 1.00 28.23 C ATOM 1463 CE2 PHE B 88 24.031 19.456 -8.202 1.00 30.29 C ATOM 1464 CZ PHE B 88 25.169 18.696 -7.914 1.00 30.87 C ATOM 1465 HA PHE B 88 26.849 21.428 -11.465 1.00 0.00 H ATOM 1466 HB2 PHE B 88 23.870 21.228 -11.723 1.00 0.00 H ATOM 1467 HB3 PHE B 88 24.860 19.960 -12.485 1.00 0.00 H ATOM 1468 HD2 PHE B 88 23.044 20.683 -9.646 1.00 0.00 H ATOM 1469 HE2 PHE B 88 23.227 19.541 -7.471 1.00 0.00 H ATOM 1470 HZ PHE B 88 25.263 18.198 -6.949 1.00 0.00 H ATOM 1471 HE1 PHE B 88 27.049 17.967 -8.638 1.00 0.00 H ATOM 1472 HD1 PHE B 88 26.871 19.134 -10.805 1.00 0.00 H ATOM 1473 H PHE B 88 24.702 23.230 -10.958 1.00 0.00 H ATOM 1474 N SER B 89 25.538 22.731 -14.173 1.00 33.61 N ATOM 1475 CA SER B 89 25.676 22.894 -15.626 1.00 34.17 C ATOM 1476 C SER B 89 27.095 23.280 -16.054 1.00 34.88 C ATOM 1477 O SER B 89 27.547 22.912 -17.146 1.00 35.46 O ATOM 1478 CB SER B 89 24.676 23.931 -16.160 1.00 33.98 C ATOM 1479 OG SER B 89 23.333 23.536 -15.938 1.00 32.94 O ATOM 1480 HA SER B 89 25.459 21.918 -16.059 1.00 0.00 H ATOM 1481 HB2 SER B 89 24.835 24.054 -17.231 1.00 0.00 H ATOM 1482 HB3 SER B 89 24.852 24.882 -15.656 1.00 0.00 H ATOM 1483 HG SER B 89 23.178 23.428 -14.966 1.00 0.00 H ATOM 1484 H SER B 89 24.897 23.370 -13.661 1.00 0.00 H ATOM 1485 N ASN B 90 27.788 24.038 -15.203 1.00 35.42 N ATOM 1486 CA ASN B 90 29.148 24.512 -15.498 1.00 35.72 C ATOM 1487 C ASN B 90 30.157 23.396 -15.902 1.00 35.75 C ATOM 1488 O ASN B 90 30.872 23.541 -16.897 1.00 35.25 O ATOM 1489 CB ASN B 90 29.699 25.369 -14.337 1.00 35.93 C ATOM 1490 CG ASN B 90 28.847 26.627 -14.044 1.00 37.96 C ATOM 1491 OD1 ASN B 90 27.879 26.928 -14.749 1.00 41.06 O ATOM 1492 ND2 ASN B 90 29.214 27.357 -12.993 1.00 37.61 N ATOM 1493 HA ASN B 90 29.046 25.133 -16.388 1.00 0.00 H ATOM 1494 HB2 ASN B 90 29.729 24.754 -13.437 1.00 0.00 H ATOM 1495 HB3 ASN B 90 30.710 25.688 -14.592 1.00 0.00 H ATOM 1496 HD22 ASN B 90 30.035 27.071 -12.423 1.00 0.00 H ATOM 1497 HD21 ASN B 90 28.679 28.213 -12.742 1.00 0.00 H ATOM 1498 H ASN B 90 27.350 24.303 -14.298 1.00 0.00 H ATOM 1499 N ASN B 91 30.216 22.295 -15.147 1.00 35.03 N ATOM 1500 CA ASN B 91 31.148 21.186 -15.480 1.00 34.79 C ATOM 1501 C ASN B 91 30.422 19.937 -15.998 1.00 35.15 C ATOM 1502 O ASN B 91 30.968 18.832 -15.923 1.00 35.41 O ATOM 1503 CB ASN B 91 32.008 20.782 -14.265 1.00 34.48 C ATOM 1504 CG ASN B 91 33.041 21.848 -13.860 1.00 34.89 C ATOM 1505 OD1 ASN B 91 33.637 22.508 -14.704 1.00 33.97 O ATOM 1506 ND2 ASN B 91 33.274 21.984 -12.553 1.00 34.37 N ATOM 1507 HA ASN B 91 31.787 21.574 -16.274 1.00 0.00 H ATOM 1508 HB2 ASN B 91 31.346 20.604 -13.418 1.00 0.00 H ATOM 1509 HB3 ASN B 91 32.539 19.862 -14.509 1.00 0.00 H ATOM 1510 HD22 ASN B 91 32.747 21.405 -11.868 1.00 0.00 H ATOM 1511 HD21 ASN B 91 33.982 22.669 -12.220 1.00 0.00 H ATOM 1512 H ASN B 91 29.600 22.213 -14.313 1.00 0.00 H ATOM 1513 N ILE B 92 29.199 20.104 -16.513 1.00 34.63 N ATOM 1514 CA ILE B 92 28.312 18.953 -16.755 1.00 35.06 C ATOM 1515 C ILE B 92 28.876 17.988 -17.803 1.00 34.66 C ATOM 1516 O ILE B 92 28.622 16.789 -17.741 1.00 34.90 O ATOM 1517 CB ILE B 92 26.851 19.383 -17.111 1.00 34.58 C ATOM 1518 CG1 ILE B 92 25.899 18.199 -16.927 1.00 36.05 C ATOM 1519 CG2 ILE B 92 26.766 20.021 -18.518 1.00 33.86 C ATOM 1520 CD1 ILE B 92 24.463 18.578 -16.614 1.00 40.03 C ATOM 1521 HA ILE B 92 28.266 18.413 -15.809 1.00 0.00 H ATOM 1522 HB ILE B 92 26.535 20.165 -16.421 1.00 0.00 H ATOM 1523 HG12 ILE B 92 25.903 17.615 -17.847 1.00 0.00 H ATOM 1524 HG13 ILE B 92 26.274 17.586 -16.107 1.00 0.00 H ATOM 1525 HD11 ILE B 92 24.434 19.152 -15.688 1.00 0.00 H ATOM 1526 HD12 ILE B 92 24.062 19.180 -17.429 1.00 0.00 H ATOM 1527 HD13 ILE B 92 23.866 17.673 -16.501 1.00 0.00 H ATOM 1528 HG21 ILE B 92 27.402 20.906 -18.553 1.00 0.00 H ATOM 1529 HG22 ILE B 92 27.102 19.300 -19.263 1.00 0.00 H ATOM 1530 HG23 ILE B 92 25.734 20.305 -18.725 1.00 0.00 H ATOM 1531 H ILE B 92 28.869 21.062 -16.746 1.00 0.00 H ATOM 1532 N ILE B 93 29.628 18.523 -18.763 1.00 34.17 N ATOM 1533 CA ILE B 93 30.255 17.699 -19.797 1.00 34.11 C ATOM 1534 C ILE B 93 31.270 16.737 -19.168 1.00 34.47 C ATOM 1535 O ILE B 93 31.211 15.528 -19.377 1.00 35.17 O ATOM 1536 CB ILE B 93 30.945 18.555 -20.901 1.00 33.85 C ATOM 1537 CG1 ILE B 93 29.915 19.449 -21.624 1.00 32.93 C ATOM 1538 CG2 ILE B 93 31.719 17.643 -21.876 1.00 32.84 C ATOM 1539 CD1 ILE B 93 28.792 18.685 -22.353 1.00 33.78 C ATOM 1540 HA ILE B 93 29.460 17.129 -20.277 1.00 0.00 H ATOM 1541 HB ILE B 93 31.669 19.223 -20.435 1.00 0.00 H ATOM 1542 HG12 ILE B 93 29.455 20.103 -20.883 1.00 0.00 H ATOM 1543 HG13 ILE B 93 30.447 20.053 -22.359 1.00 0.00 H ATOM 1544 HD11 ILE B 93 29.229 18.034 -23.110 1.00 0.00 H ATOM 1545 HD12 ILE B 93 28.236 18.084 -21.633 1.00 0.00 H ATOM 1546 HD13 ILE B 93 28.119 19.398 -22.830 1.00 0.00 H ATOM 1547 HG21 ILE B 93 32.479 17.088 -21.326 1.00 0.00 H ATOM 1548 HG22 ILE B 93 31.026 16.945 -22.346 1.00 0.00 H ATOM 1549 HG23 ILE B 93 32.196 18.254 -22.642 1.00 0.00 H ATOM 1550 H ILE B 93 29.773 19.553 -18.778 1.00 0.00 H ATOM 1551 N SER B 94 32.191 17.289 -18.398 1.00 34.77 N ATOM 1552 CA SER B 94 33.142 16.511 -17.617 1.00 35.95 C ATOM 1553 C SER B 94 32.459 15.474 -16.688 1.00 35.96 C ATOM 1554 O SER B 94 32.945 14.347 -16.535 1.00 35.59 O ATOM 1555 CB SER B 94 34.012 17.481 -16.818 1.00 36.38 C ATOM 1556 OG SER B 94 34.513 16.881 -15.640 1.00 39.82 O ATOM 1557 HA SER B 94 33.756 15.926 -18.302 1.00 0.00 H ATOM 1558 HB2 SER B 94 33.414 18.351 -16.546 1.00 0.00 H ATOM 1559 HB3 SER B 94 34.851 17.798 -17.438 1.00 0.00 H ATOM 1560 HG SER B 94 33.756 16.596 -15.069 1.00 0.00 H ATOM 1561 H SER B 94 32.239 18.327 -18.348 1.00 0.00 H ATOM 1562 N THR B 95 31.328 15.869 -16.097 1.00 35.80 N ATOM 1563 CA THR B 95 30.605 15.066 -15.113 1.00 35.82 C ATOM 1564 C THR B 95 30.053 13.815 -15.790 1.00 35.68 C ATOM 1565 O THR B 95 30.219 12.696 -15.283 1.00 35.11 O ATOM 1566 CB THR B 95 29.465 15.900 -14.439 1.00 36.03 C ATOM 1567 OG1 THR B 95 30.051 16.976 -13.699 1.00 35.19 O ATOM 1568 CG2 THR B 95 28.611 15.060 -13.502 1.00 35.99 C ATOM 1569 HA THR B 95 31.291 14.764 -14.322 1.00 0.00 H ATOM 1570 HB THR B 95 28.816 16.276 -15.230 1.00 0.00 H ATOM 1571 HG1 THR B 95 29.335 17.508 -13.270 1.00 0.00 H ATOM 1572 HG23 THR B 95 28.162 14.239 -14.060 1.00 0.00 H ATOM 1573 HG21 THR B 95 29.236 14.660 -12.704 1.00 0.00 H ATOM 1574 HG22 THR B 95 27.825 15.682 -13.073 1.00 0.00 H ATOM 1575 H THR B 95 30.940 16.800 -16.351 1.00 0.00 H ATOM 1576 N PHE B 96 29.464 14.012 -16.970 1.00 35.57 N ATOM 1577 CA PHE B 96 28.884 12.908 -17.735 1.00 35.14 C ATOM 1578 C PHE B 96 29.935 11.998 -18.374 1.00 34.58 C ATOM 1579 O PHE B 96 29.734 10.794 -18.447 1.00 34.50 O ATOM 1580 CB PHE B 96 27.838 13.409 -18.740 1.00 34.73 C ATOM 1581 CG PHE B 96 26.469 13.518 -18.144 1.00 35.63 C ATOM 1582 CD1 PHE B 96 26.187 14.511 -17.200 1.00 35.39 C ATOM 1583 CD2 PHE B 96 25.473 12.585 -18.467 1.00 35.27 C ATOM 1584 CE1 PHE B 96 24.926 14.604 -16.614 1.00 34.85 C ATOM 1585 CE2 PHE B 96 24.208 12.672 -17.882 1.00 36.49 C ATOM 1586 CZ PHE B 96 23.933 13.684 -16.949 1.00 34.86 C ATOM 1587 HA PHE B 96 28.361 12.274 -17.019 1.00 0.00 H ATOM 1588 HB2 PHE B 96 28.142 14.392 -19.099 1.00 0.00 H ATOM 1589 HB3 PHE B 96 27.799 12.714 -19.579 1.00 0.00 H ATOM 1590 HD2 PHE B 96 25.687 11.788 -19.179 1.00 0.00 H ATOM 1591 HE2 PHE B 96 23.433 11.953 -18.150 1.00 0.00 H ATOM 1592 HZ PHE B 96 22.947 13.750 -16.488 1.00 0.00 H ATOM 1593 HE1 PHE B 96 24.716 15.395 -15.894 1.00 0.00 H ATOM 1594 HD1 PHE B 96 26.964 15.222 -16.919 1.00 0.00 H ATOM 1595 H PHE B 96 29.416 14.976 -17.357 1.00 0.00 H ATOM 1596 N GLN B 97 31.051 12.571 -18.807 1.00 34.30 N ATOM 1597 CA GLN B 97 32.213 11.773 -19.229 1.00 34.22 C ATOM 1598 C GLN B 97 32.603 10.780 -18.137 1.00 34.45 C ATOM 1599 O GLN B 97 32.861 9.618 -18.426 1.00 34.90 O ATOM 1600 CB GLN B 97 33.413 12.662 -19.568 1.00 33.35 C ATOM 1601 CG GLN B 97 33.306 13.371 -20.910 1.00 33.80 C ATOM 1602 CD GLN B 97 34.398 14.421 -21.131 1.00 33.57 C ATOM 1603 OE1 GLN B 97 35.188 14.724 -20.232 1.00 33.09 O ATOM 1604 NE2 GLN B 97 34.427 14.991 -22.326 1.00 31.15 N ATOM 1605 HA GLN B 97 31.926 11.229 -20.129 1.00 0.00 H ATOM 1606 HB2 GLN B 97 33.509 13.418 -18.789 1.00 0.00 H ATOM 1607 HB3 GLN B 97 34.307 12.039 -19.581 1.00 0.00 H ATOM 1608 HG2 GLN B 97 33.378 12.625 -21.702 1.00 0.00 H ATOM 1609 HG3 GLN B 97 32.336 13.864 -20.964 1.00 0.00 H ATOM 1610 HE22 GLN B 97 33.742 14.706 -23.055 1.00 0.00 H ATOM 1611 HE21 GLN B 97 35.134 15.724 -22.535 1.00 0.00 H ATOM 1612 H GLN B 97 31.106 13.609 -18.849 1.00 0.00 H ATOM 1613 N ASN B 98 32.635 11.245 -16.887 1.00 34.48 N ATOM 1614 CA ASN B 98 32.893 10.367 -15.761 1.00 34.65 C ATOM 1615 C ASN B 98 31.721 9.406 -15.494 1.00 34.85 C ATOM 1616 O ASN B 98 31.954 8.237 -15.208 1.00 34.63 O ATOM 1617 CB ASN B 98 33.259 11.157 -14.502 1.00 34.59 C ATOM 1618 CG ASN B 98 34.440 12.116 -14.706 1.00 35.22 C ATOM 1619 OD1 ASN B 98 35.375 11.849 -15.464 1.00 38.38 O ATOM 1620 ND2 ASN B 98 34.395 13.229 -14.017 1.00 34.80 N ATOM 1621 HA ASN B 98 33.754 9.756 -16.031 1.00 0.00 H ATOM 1622 HB2 ASN B 98 32.390 11.739 -14.194 1.00 0.00 H ATOM 1623 HB3 ASN B 98 33.519 10.450 -13.714 1.00 0.00 H ATOM 1624 HD22 ASN B 98 33.589 13.419 -13.388 1.00 0.00 H ATOM 1625 HD21 ASN B 98 35.165 13.923 -14.099 1.00 0.00 H ATOM 1626 H ASN B 98 32.472 12.258 -16.716 1.00 0.00 H ATOM 1627 N LEU B 99 30.471 9.887 -15.601 1.00 35.50 N ATOM 1628 CA LEU B 99 29.277 9.042 -15.418 1.00 35.82 C ATOM 1629 C LEU B 99 29.193 7.893 -16.415 1.00 36.34 C ATOM 1630 O LEU B 99 28.712 6.795 -16.082 1.00 36.12 O ATOM 1631 CB LEU B 99 27.974 9.861 -15.503 1.00 36.46 C ATOM 1632 CG LEU B 99 27.588 10.798 -14.342 1.00 35.75 C ATOM 1633 CD1 LEU B 99 26.364 11.666 -14.716 1.00 35.00 C ATOM 1634 CD2 LEU B 99 27.331 10.012 -13.079 1.00 33.13 C ATOM 1635 HA LEU B 99 29.386 8.622 -14.418 1.00 0.00 H ATOM 1636 HB2 LEU B 99 28.045 10.478 -16.398 1.00 0.00 H ATOM 1637 HB3 LEU B 99 27.158 9.148 -15.619 1.00 0.00 H ATOM 1638 HG LEU B 99 28.427 11.468 -14.155 1.00 0.00 H ATOM 1639 HD21 LEU B 99 26.515 9.309 -13.249 1.00 0.00 H ATOM 1640 HD22 LEU B 99 28.232 9.464 -12.804 1.00 0.00 H ATOM 1641 HD23 LEU B 99 27.061 10.697 -12.275 1.00 0.00 H ATOM 1642 HD11 LEU B 99 26.603 12.271 -15.591 1.00 0.00 H ATOM 1643 HD12 LEU B 99 25.516 11.019 -14.941 1.00 0.00 H ATOM 1644 HD13 LEU B 99 26.113 12.318 -13.879 1.00 0.00 H ATOM 1645 H LEU B 99 30.341 10.895 -15.822 1.00 0.00 H ATOM 1646 N TYR B 100 29.643 8.141 -17.641 1.00 36.69 N ATOM 1647 CA TYR B 100 29.547 7.139 -18.701 1.00 37.45 C ATOM 1648 C TYR B 100 30.593 6.030 -18.562 1.00 37.98 C ATOM 1649 O TYR B 100 30.575 5.066 -19.318 1.00 37.29 O ATOM 1650 CB TYR B 100 29.569 7.789 -20.096 1.00 37.44 C ATOM 1651 CG TYR B 100 28.252 8.457 -20.484 1.00 38.46 C ATOM 1652 CD1 TYR B 100 27.040 7.760 -20.411 1.00 38.38 C ATOM 1653 CD2 TYR B 100 28.218 9.771 -20.937 1.00 37.57 C ATOM 1654 CE1 TYR B 100 25.843 8.361 -20.759 1.00 37.35 C ATOM 1655 CE2 TYR B 100 27.004 10.387 -21.287 1.00 37.42 C ATOM 1656 CZ TYR B 100 25.834 9.678 -21.192 1.00 37.82 C ATOM 1657 OH TYR B 100 24.642 10.281 -21.542 1.00 38.42 O ATOM 1658 HA TYR B 100 28.578 6.653 -18.586 1.00 0.00 H ATOM 1659 HB3 TYR B 100 29.793 7.017 -20.832 1.00 0.00 H ATOM 1660 HB2 TYR B 100 30.355 8.544 -20.112 1.00 0.00 H ATOM 1661 HD2 TYR B 100 29.148 10.333 -21.022 1.00 0.00 H ATOM 1662 HE2 TYR B 100 26.993 11.421 -21.632 1.00 0.00 H ATOM 1663 HE1 TYR B 100 24.910 7.801 -20.693 1.00 0.00 H ATOM 1664 HD1 TYR B 100 27.039 6.724 -20.073 1.00 0.00 H ATOM 1665 HH TYR B 100 24.681 10.561 -22.491 1.00 0.00 H ATOM 1666 H TYR B 100 30.071 9.065 -17.850 1.00 0.00 H ATOM 1667 N ARG B 101 31.489 6.172 -17.578 1.00 38.95 N ATOM 1668 CA ARG B 101 32.416 5.097 -17.193 1.00 40.07 C ATOM 1669 C ARG B 101 31.750 4.049 -16.274 1.00 39.72 C ATOM 1670 O ARG B 101 32.435 3.283 -15.597 1.00 39.93 O ATOM 1671 CB ARG B 101 33.670 5.683 -16.532 1.00 39.78 C ATOM 1672 CG ARG B 101 34.758 6.092 -17.511 1.00 41.34 C ATOM 1673 CD ARG B 101 36.056 6.465 -16.781 1.00 42.09 C ATOM 1674 NE ARG B 101 36.126 7.889 -16.436 1.00 46.03 N ATOM 1675 CZ ARG B 101 37.234 8.530 -16.042 1.00 48.00 C ATOM 1676 NH1 ARG B 101 38.397 7.887 -15.928 1.00 48.56 N ATOM 1677 NH2 ARG B 101 37.181 9.830 -15.760 1.00 48.70 N ATOM 1678 HA ARG B 101 32.707 4.578 -18.106 1.00 0.00 H ATOM 1679 HB2 ARG B 101 33.376 6.563 -15.961 1.00 0.00 H ATOM 1680 HB3 ARG B 101 34.082 4.934 -15.856 1.00 0.00 H ATOM 1681 HG2 ARG B 101 34.957 5.261 -18.188 1.00 0.00 H ATOM 1682 HG3 ARG B 101 34.414 6.952 -18.085 1.00 0.00 H ATOM 1683 HD2 ARG B 101 36.901 6.221 -17.425 1.00 0.00 H ATOM 1684 HD3 ARG B 101 36.120 5.881 -15.863 1.00 0.00 H ATOM 1685 HE ARG B 101 35.248 8.443 -16.502 1.00 0.00 H ATOM 1686 HH12 ARG B 101 39.247 8.401 -15.621 1.00 0.00 H ATOM 1687 HH11 ARG B 101 38.453 6.872 -16.146 1.00 0.00 H ATOM 1688 HH22 ARG B 101 38.039 10.331 -15.454 1.00 0.00 H ATOM 1689 HH21 ARG B 101 36.281 10.344 -15.846 1.00 0.00 H ATOM 1690 H ARG B 101 31.531 7.076 -17.066 1.00 0.00 H ATOM 1691 N CYS B 102 30.416 4.038 -16.263 1.00 39.51 N ATOM 1692 CA CYS B 102 29.592 3.124 -15.478 1.00 38.72 C ATOM 1693 C CYS B 102 29.531 1.775 -16.182 1.00 38.80 C ATOM 1694 O CYS B 102 29.971 1.679 -17.317 1.00 38.78 O ATOM 1695 CB CYS B 102 28.170 3.701 -15.358 1.00 38.54 C ATOM 1696 SG CYS B 102 27.291 3.869 -16.960 1.00 37.77 S ATOM 1697 HA CYS B 102 30.022 3.000 -14.484 1.00 0.00 H ATOM 1698 HB2 CYS B 102 28.238 4.688 -14.900 1.00 0.00 H ATOM 1699 HB3 CYS B 102 27.586 3.043 -14.715 1.00 0.00 H ATOM 1700 HG CYS B 102 27.178 2.628 -17.553 1.00 0.00 H ATOM 1701 H CYS B 102 29.925 4.734 -16.860 1.00 0.00 H ATOM 1702 N PRO B 103 28.964 0.732 -15.527 1.00 38.76 N ATOM 1703 CA PRO B 103 28.759 -0.538 -16.231 1.00 38.88 C ATOM 1704 C PRO B 103 27.863 -0.400 -17.462 1.00 39.05 C ATOM 1705 O PRO B 103 26.985 0.471 -17.504 1.00 38.76 O ATOM 1706 CB PRO B 103 28.061 -1.417 -15.182 1.00 38.82 C ATOM 1707 CG PRO B 103 28.462 -0.819 -13.860 1.00 39.01 C ATOM 1708 CD PRO B 103 28.510 0.655 -14.125 1.00 38.69 C ATOM 1709 HA PRO B 103 29.701 -0.940 -16.605 1.00 0.00 H ATOM 1710 HD3 PRO B 103 27.524 1.106 -14.008 1.00 0.00 H ATOM 1711 HD2 PRO B 103 29.216 1.149 -13.458 1.00 0.00 H ATOM 1712 HG3 PRO B 103 29.439 -1.188 -13.548 1.00 0.00 H ATOM 1713 HG2 PRO B 103 27.725 -1.050 -13.091 1.00 0.00 H ATOM 1714 HB2 PRO B 103 26.979 -1.382 -15.308 1.00 0.00 H ATOM 1715 HB3 PRO B 103 28.401 -2.450 -15.257 1.00 0.00 H ATOM 1716 N GLY B 104 28.098 -1.266 -18.445 1.00 39.32 N ATOM 1717 CA GLY B 104 27.303 -1.333 -19.677 1.00 39.58 C ATOM 1718 C GLY B 104 25.807 -1.205 -19.469 1.00 39.84 C ATOM 1719 O GLY B 104 25.175 -0.332 -20.077 1.00 40.13 O ATOM 1720 HA3 GLY B 104 27.499 -2.292 -20.157 1.00 0.00 H ATOM 1721 HA2 GLY B 104 27.626 -0.526 -20.335 1.00 0.00 H ATOM 1722 H GLY B 104 28.889 -1.932 -18.334 1.00 0.00 H ATOM 1723 N ASP B 105 25.260 -2.050 -18.590 1.00 39.65 N ATOM 1724 CA ASP B 105 23.826 -2.068 -18.280 1.00 39.79 C ATOM 1725 C ASP B 105 23.307 -0.796 -17.600 1.00 39.70 C ATOM 1726 O ASP B 105 22.094 -0.631 -17.427 1.00 39.80 O ATOM 1727 CB ASP B 105 23.491 -3.270 -17.391 1.00 40.13 C ATOM 1728 CG ASP B 105 23.684 -2.973 -15.908 1.00 41.11 C ATOM 1729 OD1 ASP B 105 24.834 -2.689 -15.498 1.00 41.17 O ATOM 1730 OD2 ASP B 105 22.681 -3.027 -15.155 1.00 41.99 O ATOM 1731 HA ASP B 105 23.326 -2.136 -19.246 1.00 0.00 H ATOM 1732 HB2 ASP B 105 22.451 -3.550 -17.559 1.00 0.00 H ATOM 1733 HB3 ASP B 105 24.139 -4.101 -17.668 1.00 0.00 H ATOM 1734 H ASP B 105 25.880 -2.727 -18.102 1.00 0.00 H ATOM 1735 N ASP B 106 24.212 0.097 -17.201 1.00 39.19 N ATOM 1736 CA ASP B 106 23.812 1.308 -16.476 1.00 38.96 C ATOM 1737 C ASP B 106 23.671 2.530 -17.373 1.00 38.78 C ATOM 1738 O ASP B 106 23.135 3.542 -16.937 1.00 38.80 O ATOM 1739 CB ASP B 106 24.798 1.620 -15.336 1.00 39.33 C ATOM 1740 CG ASP B 106 24.374 1.018 -14.004 1.00 40.10 C ATOM 1741 OD1 ASP B 106 23.369 0.290 -13.959 1.00 42.50 O ATOM 1742 OD2 ASP B 106 25.046 1.272 -12.988 1.00 40.63 O ATOM 1743 HA ASP B 106 22.826 1.092 -16.064 1.00 0.00 H ATOM 1744 HB2 ASP B 106 25.776 1.220 -15.603 1.00 0.00 H ATOM 1745 HB3 ASP B 106 24.868 2.702 -15.222 1.00 0.00 H ATOM 1746 H ASP B 106 25.218 -0.067 -17.407 1.00 0.00 H ATOM 1747 N LYS B 107 24.168 2.441 -18.609 1.00 38.40 N ATOM 1748 CA LYS B 107 24.110 3.561 -19.549 1.00 38.62 C ATOM 1749 C LYS B 107 22.666 4.028 -19.764 1.00 37.89 C ATOM 1750 O LYS B 107 22.387 5.226 -19.701 1.00 37.87 O ATOM 1751 CB LYS B 107 24.742 3.181 -20.894 1.00 38.71 C ATOM 1752 CG LYS B 107 26.187 3.651 -21.095 1.00 39.82 C ATOM 1753 CD LYS B 107 26.724 3.160 -22.462 1.00 40.11 C ATOM 1754 CE LYS B 107 27.155 1.690 -22.407 1.00 40.89 C ATOM 1755 NZ LYS B 107 27.281 1.055 -23.757 1.00 42.19 N ATOM 1756 HA LYS B 107 24.679 4.383 -19.114 1.00 0.00 H ATOM 1757 HB2 LYS B 107 24.726 2.094 -20.979 1.00 0.00 H ATOM 1758 HB3 LYS B 107 24.133 3.615 -21.687 1.00 0.00 H ATOM 1759 HG2 LYS B 107 26.219 4.740 -21.065 1.00 0.00 H ATOM 1760 HG3 LYS B 107 26.811 3.249 -20.297 1.00 0.00 H ATOM 1761 HD2 LYS B 107 25.939 3.271 -23.210 1.00 0.00 H ATOM 1762 HD3 LYS B 107 27.582 3.770 -22.744 1.00 0.00 H ATOM 1763 HE2 LYS B 107 26.415 1.134 -21.831 1.00 0.00 H ATOM 1764 HE3 LYS B 107 28.121 1.632 -21.906 1.00 0.00 H ATOM 1765 HZ1 LYS B 107 26.363 1.093 -24.244 1.00 0.00 H ATOM 1766 HZ2 LYS B 107 27.992 1.569 -24.315 1.00 0.00 H ATOM 1767 HZ3 LYS B 107 27.575 0.064 -23.646 1.00 0.00 H ATOM 1768 H LYS B 107 24.609 1.550 -18.913 1.00 0.00 H ATOM 1769 N SER B 108 21.763 3.077 -20.008 1.00 36.77 N ATOM 1770 CA SER B 108 20.344 3.367 -20.209 1.00 36.53 C ATOM 1771 C SER B 108 19.682 4.152 -19.053 1.00 36.38 C ATOM 1772 O SER B 108 18.781 4.966 -19.288 1.00 36.40 O ATOM 1773 CB SER B 108 19.569 2.076 -20.476 1.00 36.28 C ATOM 1774 OG SER B 108 19.305 1.360 -19.275 1.00 37.08 O ATOM 1775 HA SER B 108 20.300 4.022 -21.079 1.00 0.00 H ATOM 1776 HB2 SER B 108 20.155 1.444 -21.142 1.00 0.00 H ATOM 1777 HB3 SER B 108 18.622 2.325 -20.954 1.00 0.00 H ATOM 1778 HG SER B 108 18.804 0.533 -19.488 1.00 0.00 H ATOM 1779 H SER B 108 22.081 2.088 -20.057 1.00 0.00 H ATOM 1780 N LYS B 109 20.125 3.894 -17.821 1.00 35.60 N ATOM 1781 CA LYS B 109 19.618 4.605 -16.640 1.00 35.37 C ATOM 1782 C LYS B 109 20.000 6.078 -16.642 1.00 34.93 C ATOM 1783 O LYS B 109 19.252 6.912 -16.124 1.00 35.04 O ATOM 1784 CB LYS B 109 20.123 3.955 -15.349 1.00 35.50 C ATOM 1785 CG LYS B 109 19.544 2.579 -15.066 1.00 36.49 C ATOM 1786 CD LYS B 109 20.368 1.907 -13.976 1.00 37.07 C ATOM 1787 CE LYS B 109 20.040 0.435 -13.832 1.00 38.63 C ATOM 1788 NZ LYS B 109 20.868 -0.129 -12.730 1.00 39.12 N ATOM 1789 HA LYS B 109 18.531 4.535 -16.684 1.00 0.00 H ATOM 1790 HB2 LYS B 109 21.207 3.861 -15.417 1.00 0.00 H ATOM 1791 HB3 LYS B 109 19.868 4.610 -14.516 1.00 0.00 H ATOM 1792 HG2 LYS B 109 18.511 2.679 -14.734 1.00 0.00 H ATOM 1793 HG3 LYS B 109 19.576 1.975 -15.973 1.00 0.00 H ATOM 1794 HD2 LYS B 109 21.425 2.008 -14.222 1.00 0.00 H ATOM 1795 HD3 LYS B 109 20.168 2.405 -13.027 1.00 0.00 H ATOM 1796 HE2 LYS B 109 20.264 -0.085 -14.764 1.00 0.00 H ATOM 1797 HE3 LYS B 109 18.983 0.315 -13.596 1.00 0.00 H ATOM 1798 HZ1 LYS B 109 21.875 -0.010 -12.959 1.00 0.00 H ATOM 1799 HZ2 LYS B 109 20.652 0.371 -11.844 1.00 0.00 H ATOM 1800 HZ3 LYS B 109 20.653 -1.141 -12.619 1.00 0.00 H ATOM 1801 H LYS B 109 20.855 3.164 -17.693 1.00 0.00 H ATOM 1802 N ILE B 110 21.166 6.386 -17.210 1.00 34.34 N ATOM 1803 CA ILE B 110 21.626 7.773 -17.379 1.00 34.23 C ATOM 1804 C ILE B 110 20.803 8.505 -18.446 1.00 34.00 C ATOM 1805 O ILE B 110 20.446 9.678 -18.275 1.00 33.42 O ATOM 1806 CB ILE B 110 23.153 7.846 -17.739 1.00 34.93 C ATOM 1807 CG1 ILE B 110 24.015 7.242 -16.620 1.00 34.71 C ATOM 1808 CG2 ILE B 110 23.619 9.310 -17.992 1.00 33.98 C ATOM 1809 CD1 ILE B 110 25.480 7.047 -17.019 1.00 34.24 C ATOM 1810 HA ILE B 110 21.480 8.269 -16.420 1.00 0.00 H ATOM 1811 HB ILE B 110 23.282 7.269 -18.655 1.00 0.00 H ATOM 1812 HG12 ILE B 110 23.977 7.907 -15.757 1.00 0.00 H ATOM 1813 HG13 ILE B 110 23.599 6.272 -16.348 1.00 0.00 H ATOM 1814 HD11 ILE B 110 25.536 6.375 -17.875 1.00 0.00 H ATOM 1815 HD12 ILE B 110 25.915 8.011 -17.284 1.00 0.00 H ATOM 1816 HD13 ILE B 110 26.029 6.617 -16.181 1.00 0.00 H ATOM 1817 HG21 ILE B 110 23.051 9.733 -18.821 1.00 0.00 H ATOM 1818 HG22 ILE B 110 23.450 9.904 -17.094 1.00 0.00 H ATOM 1819 HG23 ILE B 110 24.681 9.315 -18.238 1.00 0.00 H ATOM 1820 H ILE B 110 21.776 5.614 -17.548 1.00 0.00 H ATOM 1821 N VAL B 111 20.503 7.817 -19.551 1.00 33.42 N ATOM 1822 CA VAL B 111 19.707 8.426 -20.605 1.00 32.92 C ATOM 1823 C VAL B 111 18.298 8.718 -20.085 1.00 33.49 C ATOM 1824 O VAL B 111 17.722 9.778 -20.372 1.00 33.15 O ATOM 1825 CB VAL B 111 19.674 7.554 -21.881 1.00 32.74 C ATOM 1826 CG1 VAL B 111 18.723 8.137 -22.913 1.00 32.56 C ATOM 1827 CG2 VAL B 111 21.065 7.435 -22.468 1.00 32.38 C ATOM 1828 HA VAL B 111 20.177 9.368 -20.889 1.00 0.00 H ATOM 1829 HB VAL B 111 19.316 6.562 -21.606 1.00 0.00 H ATOM 1830 HG11 VAL B 111 17.718 8.183 -22.494 1.00 0.00 H ATOM 1831 HG12 VAL B 111 19.052 9.141 -23.183 1.00 0.00 H ATOM 1832 HG13 VAL B 111 18.719 7.504 -23.800 1.00 0.00 H ATOM 1833 HG21 VAL B 111 21.437 8.428 -22.722 1.00 0.00 H ATOM 1834 HG22 VAL B 111 21.728 6.974 -21.736 1.00 0.00 H ATOM 1835 HG23 VAL B 111 21.027 6.818 -23.366 1.00 0.00 H ATOM 1836 H VAL B 111 20.841 6.839 -19.658 1.00 0.00 H ATOM 1837 N ARG B 112 17.756 7.777 -19.310 1.00 33.85 N ATOM 1838 CA ARG B 112 16.428 7.939 -18.724 1.00 34.44 C ATOM 1839 C ARG B 112 16.359 9.244 -17.930 1.00 34.03 C ATOM 1840 O ARG B 112 15.428 10.024 -18.110 1.00 34.51 O ATOM 1841 CB ARG B 112 16.054 6.752 -17.840 1.00 34.28 C ATOM 1842 CG ARG B 112 14.578 6.699 -17.551 1.00 35.61 C ATOM 1843 CD ARG B 112 14.263 5.849 -16.352 1.00 38.44 C ATOM 1844 NE ARG B 112 12.822 5.838 -16.103 1.00 40.00 N ATOM 1845 CZ ARG B 112 12.264 5.685 -14.906 1.00 40.92 C ATOM 1846 NH1 ARG B 112 13.016 5.540 -13.816 1.00 41.60 N ATOM 1847 NH2 ARG B 112 10.947 5.705 -14.795 1.00 41.11 N ATOM 1848 HA ARG B 112 15.705 7.980 -19.538 1.00 0.00 H ATOM 1849 HB2 ARG B 112 16.346 5.832 -18.346 1.00 0.00 H ATOM 1850 HB3 ARG B 112 16.594 6.833 -16.896 1.00 0.00 H ATOM 1851 HG2 ARG B 112 14.220 7.712 -17.367 1.00 0.00 H ATOM 1852 HG3 ARG B 112 14.065 6.285 -18.419 1.00 0.00 H ATOM 1853 HD2 ARG B 112 14.776 6.253 -15.479 1.00 0.00 H ATOM 1854 HD3 ARG B 112 14.605 4.830 -16.533 1.00 0.00 H ATOM 1855 HE ARG B 112 12.189 5.958 -16.920 1.00 0.00 H ATOM 1856 HH12 ARG B 112 12.566 5.421 -12.886 1.00 0.00 H ATOM 1857 HH11 ARG B 112 14.053 5.546 -13.895 1.00 0.00 H ATOM 1858 HH22 ARG B 112 10.502 5.586 -13.863 1.00 0.00 H ATOM 1859 HH21 ARG B 112 10.356 5.840 -15.640 1.00 0.00 H ATOM 1860 H ARG B 112 18.292 6.907 -19.118 1.00 0.00 H ATOM 1861 N VAL B 113 17.355 9.491 -17.081 1.00 34.00 N ATOM 1862 CA VAL B 113 17.442 10.772 -16.351 1.00 33.59 C ATOM 1863 C VAL B 113 17.519 11.994 -17.295 1.00 33.36 C ATOM 1864 O VAL B 113 16.748 12.939 -17.141 1.00 32.84 O ATOM 1865 CB VAL B 113 18.597 10.783 -15.315 1.00 33.66 C ATOM 1866 CG1 VAL B 113 18.832 12.186 -14.773 1.00 32.89 C ATOM 1867 CG2 VAL B 113 18.283 9.844 -14.173 1.00 32.66 C ATOM 1868 HA VAL B 113 16.508 10.861 -15.796 1.00 0.00 H ATOM 1869 HB VAL B 113 19.504 10.450 -15.820 1.00 0.00 H ATOM 1870 HG11 VAL B 113 19.093 12.853 -15.595 1.00 0.00 H ATOM 1871 HG12 VAL B 113 17.924 12.544 -14.288 1.00 0.00 H ATOM 1872 HG13 VAL B 113 19.647 12.163 -14.049 1.00 0.00 H ATOM 1873 HG21 VAL B 113 17.362 10.163 -13.685 1.00 0.00 H ATOM 1874 HG22 VAL B 113 18.159 8.832 -14.560 1.00 0.00 H ATOM 1875 HG23 VAL B 113 19.102 9.862 -13.454 1.00 0.00 H ATOM 1876 H VAL B 113 18.086 8.767 -16.929 1.00 0.00 H ATOM 1877 N LEU B 114 18.428 11.960 -18.272 1.00 33.00 N ATOM 1878 CA LEU B 114 18.518 13.023 -19.295 1.00 32.89 C ATOM 1879 C LEU B 114 17.207 13.300 -20.038 1.00 33.16 C ATOM 1880 O LEU B 114 16.891 14.463 -20.312 1.00 32.86 O ATOM 1881 CB LEU B 114 19.598 12.709 -20.328 1.00 32.98 C ATOM 1882 CG LEU B 114 21.065 12.781 -19.904 1.00 32.40 C ATOM 1883 CD1 LEU B 114 21.932 12.244 -21.047 1.00 31.24 C ATOM 1884 CD2 LEU B 114 21.460 14.212 -19.516 1.00 32.00 C ATOM 1885 HA LEU B 114 18.770 13.920 -18.729 1.00 0.00 H ATOM 1886 HB2 LEU B 114 19.416 11.695 -20.684 1.00 0.00 H ATOM 1887 HB3 LEU B 114 19.467 13.411 -21.152 1.00 0.00 H ATOM 1888 HG LEU B 114 21.222 12.166 -19.018 1.00 0.00 H ATOM 1889 HD21 LEU B 114 21.311 14.873 -20.370 1.00 0.00 H ATOM 1890 HD22 LEU B 114 20.840 14.546 -18.684 1.00 0.00 H ATOM 1891 HD23 LEU B 114 22.509 14.230 -19.219 1.00 0.00 H ATOM 1892 HD11 LEU B 114 21.656 11.210 -21.256 1.00 0.00 H ATOM 1893 HD12 LEU B 114 21.773 12.851 -21.938 1.00 0.00 H ATOM 1894 HD13 LEU B 114 22.982 12.290 -20.757 1.00 0.00 H ATOM 1895 H LEU B 114 19.093 11.161 -18.315 1.00 0.00 H ATOM 1896 N ASN B 115 16.468 12.239 -20.390 1.00 32.58 N ATOM 1897 CA ASN B 115 15.160 12.388 -21.018 1.00 32.54 C ATOM 1898 C ASN B 115 14.139 13.049 -20.088 1.00 32.70 C ATOM 1899 O ASN B 115 13.352 13.900 -20.513 1.00 32.65 O ATOM 1900 CB ASN B 115 14.622 11.035 -21.529 1.00 32.48 C ATOM 1901 CG ASN B 115 15.157 10.669 -22.910 1.00 32.85 C ATOM 1902 OD1 ASN B 115 15.833 11.463 -23.557 1.00 34.52 O ATOM 1903 ND2 ASN B 115 14.865 9.457 -23.357 1.00 32.85 N ATOM 1904 HA ASN B 115 15.304 13.049 -21.872 1.00 0.00 H ATOM 1905 HB2 ASN B 115 14.913 10.256 -20.825 1.00 0.00 H ATOM 1906 HB3 ASN B 115 13.535 11.089 -21.580 1.00 0.00 H ATOM 1907 HD22 ASN B 115 14.289 8.814 -22.777 1.00 0.00 H ATOM 1908 HD21 ASN B 115 15.212 9.148 -24.288 1.00 0.00 H ATOM 1909 H ASN B 115 16.837 11.283 -20.211 1.00 0.00 H ATOM 1910 N LEU B 116 14.131 12.636 -18.826 1.00 32.73 N ATOM 1911 CA LEU B 116 13.298 13.297 -17.823 1.00 33.20 C ATOM 1912 C LEU B 116 13.680 14.769 -17.615 1.00 33.85 C ATOM 1913 O LEU B 116 12.798 15.620 -17.546 1.00 34.56 O ATOM 1914 CB LEU B 116 13.308 12.529 -16.499 1.00 32.74 C ATOM 1915 CG LEU B 116 12.556 11.191 -16.536 1.00 32.54 C ATOM 1916 CD1 LEU B 116 12.914 10.355 -15.317 1.00 33.42 C ATOM 1917 CD2 LEU B 116 11.039 11.370 -16.646 1.00 27.87 C ATOM 1918 HA LEU B 116 12.279 13.291 -18.211 1.00 0.00 H ATOM 1919 HB2 LEU B 116 14.345 12.330 -16.228 1.00 0.00 H ATOM 1920 HB3 LEU B 116 12.848 13.158 -15.736 1.00 0.00 H ATOM 1921 HG LEU B 116 12.873 10.666 -17.437 1.00 0.00 H ATOM 1922 HD21 LEU B 116 10.678 11.934 -15.786 1.00 0.00 H ATOM 1923 HD22 LEU B 116 10.804 11.912 -17.562 1.00 0.00 H ATOM 1924 HD23 LEU B 116 10.560 10.391 -16.668 1.00 0.00 H ATOM 1925 HD11 LEU B 116 13.987 10.163 -15.312 1.00 0.00 H ATOM 1926 HD12 LEU B 116 12.637 10.896 -14.413 1.00 0.00 H ATOM 1927 HD13 LEU B 116 12.374 9.409 -15.356 1.00 0.00 H ATOM 1928 H LEU B 116 14.726 11.830 -18.547 1.00 0.00 H ATOM 1929 N TRP B 117 14.976 15.066 -17.533 1.00 33.89 N ATOM 1930 CA TRP B 117 15.448 16.449 -17.415 1.00 34.87 C ATOM 1931 C TRP B 117 14.985 17.314 -18.567 1.00 35.59 C ATOM 1932 O TRP B 117 14.613 18.468 -18.366 1.00 35.54 O ATOM 1933 CB TRP B 117 16.978 16.525 -17.344 1.00 33.93 C ATOM 1934 CG TRP B 117 17.543 16.114 -16.049 1.00 33.67 C ATOM 1935 CD1 TRP B 117 16.848 15.793 -14.916 1.00 33.08 C ATOM 1936 CD2 TRP B 117 18.936 16.002 -15.717 1.00 33.46 C ATOM 1937 NE1 TRP B 117 17.718 15.482 -13.899 1.00 33.80 N ATOM 1938 CE2 TRP B 117 19.007 15.597 -14.362 1.00 33.86 C ATOM 1939 CE3 TRP B 117 20.131 16.208 -16.432 1.00 32.41 C ATOM 1940 CZ2 TRP B 117 20.226 15.382 -13.700 1.00 33.93 C ATOM 1941 CZ3 TRP B 117 21.345 15.994 -15.781 1.00 33.23 C ATOM 1942 CH2 TRP B 117 21.383 15.580 -14.423 1.00 34.43 C ATOM 1943 HA TRP B 117 15.017 16.825 -16.487 1.00 0.00 H ATOM 1944 HB2 TRP B 117 17.389 15.877 -18.118 1.00 0.00 H ATOM 1945 HB3 TRP B 117 17.279 17.555 -17.537 1.00 0.00 H ATOM 1946 HE1 TRP B 117 17.445 15.204 -12.935 1.00 0.00 H ATOM 1947 HD1 TRP B 117 15.761 15.785 -14.832 1.00 0.00 H ATOM 1948 HZ2 TRP B 117 20.257 15.071 -12.656 1.00 0.00 H ATOM 1949 HH2 TRP B 117 22.347 15.415 -13.942 1.00 0.00 H ATOM 1950 HZ3 TRP B 117 22.279 16.147 -16.322 1.00 0.00 H ATOM 1951 HE3 TRP B 117 20.108 16.528 -17.474 1.00 0.00 H ATOM 1952 H TRP B 117 15.673 14.295 -17.553 1.00 0.00 H ATOM 1953 N GLN B 118 15.057 16.757 -19.773 1.00 36.85 N ATOM 1954 CA GLN B 118 14.625 17.445 -20.980 1.00 38.60 C ATOM 1955 C GLN B 118 13.104 17.632 -20.979 1.00 39.12 C ATOM 1956 O GLN B 118 12.603 18.716 -21.280 1.00 39.43 O ATOM 1957 CB GLN B 118 15.096 16.672 -22.220 1.00 38.76 C ATOM 1958 CG GLN B 118 14.728 17.317 -23.556 1.00 41.63 C ATOM 1959 CD GLN B 118 15.610 16.830 -24.701 1.00 44.65 C ATOM 1960 OE1 GLN B 118 16.444 17.584 -25.221 1.00 46.47 O ATOM 1961 NE2 GLN B 118 15.446 15.564 -25.085 1.00 43.69 N ATOM 1962 HA GLN B 118 15.076 18.437 -21.006 1.00 0.00 H ATOM 1963 HB2 GLN B 118 16.181 16.584 -22.173 1.00 0.00 H ATOM 1964 HB3 GLN B 118 14.651 15.678 -22.189 1.00 0.00 H ATOM 1965 HG2 GLN B 118 13.690 17.076 -23.787 1.00 0.00 H ATOM 1966 HG3 GLN B 118 14.838 18.398 -23.465 1.00 0.00 H ATOM 1967 HE22 GLN B 118 14.733 14.968 -24.619 1.00 0.00 H ATOM 1968 HE21 GLN B 118 16.031 15.173 -25.850 1.00 0.00 H ATOM 1969 H GLN B 118 15.437 15.792 -19.856 1.00 0.00 H ATOM 1970 N LYS B 119 12.381 16.568 -20.630 1.00 39.74 N ATOM 1971 CA LYS B 119 10.930 16.587 -20.572 1.00 40.29 C ATOM 1972 C LYS B 119 10.444 17.618 -19.554 1.00 40.64 C ATOM 1973 O LYS B 119 9.515 18.374 -19.824 1.00 39.97 O ATOM 1974 CB LYS B 119 10.412 15.197 -20.197 1.00 40.53 C ATOM 1975 CG LYS B 119 8.903 15.081 -20.131 1.00 41.86 C ATOM 1976 CD LYS B 119 8.483 13.791 -19.445 1.00 43.55 C ATOM 1977 CE LYS B 119 6.991 13.578 -19.583 1.00 45.46 C ATOM 1978 NZ LYS B 119 6.594 12.165 -19.317 1.00 46.76 N ATOM 1979 HA LYS B 119 10.544 16.865 -21.553 1.00 0.00 H ATOM 1980 HB2 LYS B 119 10.775 14.487 -20.940 1.00 0.00 H ATOM 1981 HB3 LYS B 119 10.816 14.936 -19.219 1.00 0.00 H ATOM 1982 HG2 LYS B 119 8.505 15.928 -19.572 1.00 0.00 H ATOM 1983 HG3 LYS B 119 8.500 15.094 -21.144 1.00 0.00 H ATOM 1984 HD2 LYS B 119 9.009 12.953 -19.903 1.00 0.00 H ATOM 1985 HD3 LYS B 119 8.741 13.846 -18.388 1.00 0.00 H ATOM 1986 HE2 LYS B 119 6.691 13.842 -20.597 1.00 0.00 H ATOM 1987 HE3 LYS B 119 6.477 14.226 -18.873 1.00 0.00 H ATOM 1988 HZ1 LYS B 119 7.073 11.538 -19.994 1.00 0.00 H ATOM 1989 HZ2 LYS B 119 6.869 11.906 -18.348 1.00 0.00 H ATOM 1990 HZ3 LYS B 119 5.564 12.070 -19.424 1.00 0.00 H ATOM 1991 H LYS B 119 12.877 15.686 -20.389 1.00 0.00 H ATOM 1992 N ASN B 120 11.091 17.656 -18.391 1.00 40.94 N ATOM 1993 CA ASN B 120 10.623 18.517 -17.309 1.00 41.56 C ATOM 1994 C ASN B 120 11.348 19.852 -17.204 1.00 41.78 C ATOM 1995 O ASN B 120 11.191 20.568 -16.222 1.00 42.01 O ATOM 1996 CB ASN B 120 10.650 17.760 -15.983 1.00 41.26 C ATOM 1997 CG ASN B 120 9.698 16.587 -15.973 1.00 42.02 C ATOM 1998 OD1 ASN B 120 8.554 16.689 -16.421 1.00 41.32 O ATOM 1999 ND2 ASN B 120 10.164 15.461 -15.464 1.00 43.44 N ATOM 2000 HA ASN B 120 9.595 18.781 -17.557 1.00 0.00 H ATOM 2001 HB2 ASN B 120 11.661 17.393 -15.809 1.00 0.00 H ATOM 2002 HB3 ASN B 120 10.371 18.445 -15.182 1.00 0.00 H ATOM 2003 HD22 ASN B 120 11.136 15.419 -15.097 1.00 0.00 H ATOM 2004 HD21 ASN B 120 9.559 14.616 -15.430 1.00 0.00 H ATOM 2005 H ASN B 120 11.937 17.067 -18.252 1.00 0.00 H ATOM 2006 N ASN B 121 12.127 20.177 -18.231 1.00 42.44 N ATOM 2007 CA ASN B 121 12.865 21.440 -18.314 1.00 43.22 C ATOM 2008 C ASN B 121 13.765 21.709 -17.107 1.00 43.19 C ATOM 2009 O ASN B 121 14.010 22.861 -16.750 1.00 43.28 O ATOM 2010 CB ASN B 121 11.909 22.613 -18.572 1.00 43.41 C ATOM 2011 CG ASN B 121 11.089 22.429 -19.831 1.00 44.42 C ATOM 2012 OD1 ASN B 121 11.624 22.163 -20.910 1.00 45.63 O ATOM 2013 ND2 ASN B 121 9.774 22.575 -19.703 1.00 46.61 N ATOM 2014 HA ASN B 121 13.540 21.342 -19.164 1.00 0.00 H ATOM 2015 HB2 ASN B 121 11.231 22.704 -17.724 1.00 0.00 H ATOM 2016 HB3 ASN B 121 12.495 23.527 -18.667 1.00 0.00 H ATOM 2017 HD22 ASN B 121 9.364 22.799 -18.774 1.00 0.00 H ATOM 2018 HD21 ASN B 121 9.155 22.465 -20.532 1.00 0.00 H ATOM 2019 H ASN B 121 12.217 19.500 -19.016 1.00 0.00 H ATOM 2020 N VAL B 122 14.264 20.629 -16.507 1.00 43.41 N ATOM 2021 CA VAL B 122 15.163 20.681 -15.356 1.00 43.46 C ATOM 2022 C VAL B 122 16.491 21.367 -15.722 1.00 44.07 C ATOM 2023 O VAL B 122 16.989 22.211 -14.971 1.00 44.39 O ATOM 2024 CB VAL B 122 15.406 19.270 -14.764 1.00 43.29 C ATOM 2025 CG1 VAL B 122 16.224 19.349 -13.492 1.00 43.62 C ATOM 2026 CG2 VAL B 122 14.086 18.563 -14.477 1.00 42.86 C ATOM 2027 HA VAL B 122 14.678 21.281 -14.585 1.00 0.00 H ATOM 2028 HB VAL B 122 15.961 18.696 -15.507 1.00 0.00 H ATOM 2029 HG11 VAL B 122 17.188 19.808 -13.710 1.00 0.00 H ATOM 2030 HG12 VAL B 122 15.691 19.951 -12.756 1.00 0.00 H ATOM 2031 HG13 VAL B 122 16.379 18.344 -13.098 1.00 0.00 H ATOM 2032 HG21 VAL B 122 13.510 19.149 -13.761 1.00 0.00 H ATOM 2033 HG22 VAL B 122 13.521 18.461 -15.403 1.00 0.00 H ATOM 2034 HG23 VAL B 122 14.287 17.575 -14.062 1.00 0.00 H ATOM 2035 H VAL B 122 13.998 19.695 -16.879 1.00 0.00 H ATOM 2036 N PHE B 123 17.053 21.008 -16.875 1.00 44.45 N ATOM 2037 CA PHE B 123 18.216 21.705 -17.433 1.00 44.65 C ATOM 2038 C PHE B 123 17.812 22.203 -18.793 1.00 44.98 C ATOM 2039 O PHE B 123 16.931 21.620 -19.418 1.00 44.99 O ATOM 2040 CB PHE B 123 19.424 20.764 -17.566 1.00 44.61 C ATOM 2041 CG PHE B 123 20.078 20.428 -16.258 1.00 44.29 C ATOM 2042 CD1 PHE B 123 19.472 19.553 -15.361 1.00 43.92 C ATOM 2043 CD2 PHE B 123 21.295 21.000 -15.913 1.00 44.43 C ATOM 2044 CE1 PHE B 123 20.068 19.261 -14.151 1.00 42.81 C ATOM 2045 CE2 PHE B 123 21.905 20.695 -14.708 1.00 43.59 C ATOM 2046 CZ PHE B 123 21.289 19.828 -13.827 1.00 44.19 C ATOM 2047 HA PHE B 123 18.514 22.521 -16.774 1.00 0.00 H ATOM 2048 HB2 PHE B 123 19.088 19.837 -18.031 1.00 0.00 H ATOM 2049 HB3 PHE B 123 20.164 21.243 -18.207 1.00 0.00 H ATOM 2050 HD2 PHE B 123 21.776 21.697 -16.599 1.00 0.00 H ATOM 2051 HE2 PHE B 123 22.868 21.138 -14.455 1.00 0.00 H ATOM 2052 HZ PHE B 123 21.765 19.590 -12.876 1.00 0.00 H ATOM 2053 HE1 PHE B 123 19.578 18.584 -13.451 1.00 0.00 H ATOM 2054 HD1 PHE B 123 18.517 19.094 -15.617 1.00 0.00 H ATOM 2055 H PHE B 123 16.652 20.204 -17.399 1.00 0.00 H ATOM 2056 N LYS B 124 18.448 23.279 -19.254 1.00 45.78 N ATOM 2057 CA LYS B 124 18.183 23.818 -20.587 1.00 46.78 C ATOM 2058 C LYS B 124 18.454 22.740 -21.643 1.00 46.62 C ATOM 2059 O LYS B 124 19.372 21.929 -21.487 1.00 46.84 O ATOM 2060 CB LYS B 124 19.023 25.078 -20.846 1.00 47.11 C ATOM 2061 CG LYS B 124 19.002 26.090 -19.689 1.00 47.90 C ATOM 2062 CD LYS B 124 19.644 27.414 -20.084 1.00 48.06 C ATOM 2063 CE LYS B 124 19.482 28.452 -18.967 1.00 50.17 C ATOM 2064 NZ LYS B 124 19.900 29.815 -19.397 1.00 50.32 N ATOM 2065 HA LYS B 124 17.135 24.110 -20.650 1.00 0.00 H ATOM 2066 HB2 LYS B 124 20.055 24.773 -21.017 1.00 0.00 H ATOM 2067 HB3 LYS B 124 18.638 25.570 -21.739 1.00 0.00 H ATOM 2068 HG2 LYS B 124 17.968 26.272 -19.398 1.00 0.00 H ATOM 2069 HG3 LYS B 124 19.548 25.671 -18.844 1.00 0.00 H ATOM 2070 HD2 LYS B 124 20.706 27.255 -20.273 1.00 0.00 H ATOM 2071 HD3 LYS B 124 19.167 27.787 -20.990 1.00 0.00 H ATOM 2072 HE2 LYS B 124 20.093 28.150 -18.116 1.00 0.00 H ATOM 2073 HE3 LYS B 124 18.434 28.484 -18.668 1.00 0.00 H ATOM 2074 HZ1 LYS B 124 20.901 29.797 -19.678 1.00 0.00 H ATOM 2075 HZ2 LYS B 124 19.318 30.116 -20.204 1.00 0.00 H ATOM 2076 HZ3 LYS B 124 19.772 30.481 -18.608 1.00 0.00 H ATOM 2077 H LYS B 124 19.152 23.748 -18.649 1.00 0.00 H ATOM 2078 N SER B 125 17.639 22.710 -22.693 1.00 46.41 N ATOM 2079 CA SER B 125 17.743 21.667 -23.717 1.00 46.35 C ATOM 2080 C SER B 125 19.088 21.720 -24.443 1.00 46.14 C ATOM 2081 O SER B 125 19.614 20.690 -24.870 1.00 46.09 O ATOM 2082 CB SER B 125 16.605 21.791 -24.731 1.00 46.57 C ATOM 2083 OG SER B 125 16.613 20.693 -25.629 1.00 46.70 O ATOM 2084 HA SER B 125 17.668 20.706 -23.207 1.00 0.00 H ATOM 2085 HB2 SER B 125 16.727 22.716 -25.295 1.00 0.00 H ATOM 2086 HB3 SER B 125 15.653 21.813 -24.200 1.00 0.00 H ATOM 2087 HG SER B 125 16.499 19.851 -25.120 1.00 0.00 H ATOM 2088 H SER B 125 16.910 23.445 -22.790 1.00 0.00 H ATOM 2089 N GLU B 126 19.618 22.934 -24.584 1.00 45.62 N ATOM 2090 CA GLU B 126 20.935 23.175 -25.157 1.00 44.98 C ATOM 2091 C GLU B 126 22.034 22.513 -24.326 1.00 44.39 C ATOM 2092 O GLU B 126 23.065 22.095 -24.855 1.00 44.25 O ATOM 2093 CB GLU B 126 21.166 24.678 -25.230 1.00 45.14 C ATOM 2094 CG GLU B 126 22.599 25.121 -25.040 1.00 45.76 C ATOM 2095 CD GLU B 126 22.695 26.607 -24.789 1.00 46.75 C ATOM 2096 OE1 GLU B 126 22.517 27.024 -23.620 1.00 46.80 O ATOM 2097 OE2 GLU B 126 22.947 27.351 -25.762 1.00 46.08 O ATOM 2098 HA GLU B 126 20.973 22.739 -26.155 1.00 0.00 H ATOM 2099 HB2 GLU B 126 20.833 25.023 -26.209 1.00 0.00 H ATOM 2100 HB3 GLU B 126 20.562 25.150 -24.455 1.00 0.00 H ATOM 2101 HG2 GLU B 126 23.023 24.590 -24.188 1.00 0.00 H ATOM 2102 HG3 GLU B 126 23.167 24.877 -25.938 1.00 0.00 H ATOM 2103 H GLU B 126 19.061 23.754 -24.268 1.00 0.00 H ATOM 2104 N ILE B 127 21.810 22.439 -23.018 1.00 43.46 N ATOM 2105 CA ILE B 127 22.736 21.776 -22.120 1.00 42.71 C ATOM 2106 C ILE B 127 22.624 20.258 -22.312 1.00 41.52 C ATOM 2107 O ILE B 127 23.638 19.551 -22.373 1.00 41.30 O ATOM 2108 CB ILE B 127 22.456 22.154 -20.628 1.00 43.23 C ATOM 2109 CG1 ILE B 127 22.414 23.683 -20.415 1.00 44.13 C ATOM 2110 CG2 ILE B 127 23.440 21.459 -19.682 1.00 43.45 C ATOM 2111 CD1 ILE B 127 23.635 24.453 -20.909 1.00 45.58 C ATOM 2112 HA ILE B 127 23.747 22.106 -22.358 1.00 0.00 H ATOM 2113 HB ILE B 127 21.461 21.785 -20.380 1.00 0.00 H ATOM 2114 HG12 ILE B 127 21.539 24.070 -20.937 1.00 0.00 H ATOM 2115 HG13 ILE B 127 22.310 23.870 -19.346 1.00 0.00 H ATOM 2116 HD11 ILE B 127 24.523 24.095 -20.389 1.00 0.00 H ATOM 2117 HD12 ILE B 127 23.753 24.296 -21.981 1.00 0.00 H ATOM 2118 HD13 ILE B 127 23.498 25.516 -20.709 1.00 0.00 H ATOM 2119 HG21 ILE B 127 23.344 20.379 -19.790 1.00 0.00 H ATOM 2120 HG22 ILE B 127 24.457 21.762 -19.931 1.00 0.00 H ATOM 2121 HG23 ILE B 127 23.217 21.744 -18.654 1.00 0.00 H ATOM 2122 H ILE B 127 20.947 22.868 -22.628 1.00 0.00 H ATOM 2123 N ILE B 128 21.389 19.775 -22.435 1.00 39.95 N ATOM 2124 CA ILE B 128 21.099 18.337 -22.390 1.00 38.93 C ATOM 2125 C ILE B 128 21.486 17.583 -23.668 1.00 38.03 C ATOM 2126 O ILE B 128 21.956 16.443 -23.598 1.00 37.61 O ATOM 2127 CB ILE B 128 19.614 18.064 -22.001 1.00 39.02 C ATOM 2128 CG1 ILE B 128 19.412 18.374 -20.522 1.00 39.97 C ATOM 2129 CG2 ILE B 128 19.224 16.601 -22.248 1.00 38.04 C ATOM 2130 CD1 ILE B 128 17.964 18.662 -20.151 1.00 42.98 C ATOM 2131 HA ILE B 128 21.741 17.937 -21.605 1.00 0.00 H ATOM 2132 HB ILE B 128 18.986 18.703 -22.622 1.00 0.00 H ATOM 2133 HG12 ILE B 128 19.753 17.517 -19.941 1.00 0.00 H ATOM 2134 HG13 ILE B 128 20.013 19.247 -20.267 1.00 0.00 H ATOM 2135 HD11 ILE B 128 17.610 19.524 -20.716 1.00 0.00 H ATOM 2136 HD12 ILE B 128 17.350 17.794 -20.389 1.00 0.00 H ATOM 2137 HD13 ILE B 128 17.899 18.874 -19.084 1.00 0.00 H ATOM 2138 HG21 ILE B 128 19.352 16.366 -23.305 1.00 0.00 H ATOM 2139 HG22 ILE B 128 19.862 15.950 -21.650 1.00 0.00 H ATOM 2140 HG23 ILE B 128 18.182 16.451 -21.965 1.00 0.00 H ATOM 2141 H ILE B 128 20.601 20.441 -22.568 1.00 0.00 H ATOM 2142 N GLN B 129 21.304 18.221 -24.822 1.00 36.58 N ATOM 2143 CA GLN B 129 21.480 17.532 -26.102 1.00 36.22 C ATOM 2144 C GLN B 129 22.872 16.898 -26.338 1.00 35.31 C ATOM 2145 O GLN B 129 22.942 15.748 -26.747 1.00 35.30 O ATOM 2146 CB GLN B 129 21.034 18.404 -27.286 1.00 35.98 C ATOM 2147 CG GLN B 129 20.828 17.624 -28.573 1.00 37.18 C ATOM 2148 CD GLN B 129 19.859 16.436 -28.429 1.00 38.50 C ATOM 2149 OE1 GLN B 129 18.809 16.540 -27.783 1.00 38.12 O ATOM 2150 NE2 GLN B 129 20.213 15.308 -29.048 1.00 37.43 N ATOM 2151 HA GLN B 129 20.812 16.673 -26.035 1.00 0.00 H ATOM 2152 HB2 GLN B 129 20.094 18.889 -27.022 1.00 0.00 H ATOM 2153 HB3 GLN B 129 21.796 19.163 -27.461 1.00 0.00 H ATOM 2154 HG2 GLN B 129 20.431 18.303 -29.327 1.00 0.00 H ATOM 2155 HG3 GLN B 129 21.794 17.242 -28.903 1.00 0.00 H ATOM 2156 HE22 GLN B 129 21.105 15.265 -29.580 1.00 0.00 H ATOM 2157 HE21 GLN B 129 19.597 14.472 -28.998 1.00 0.00 H ATOM 2158 H GLN B 129 21.032 19.225 -24.814 1.00 0.00 H ATOM 2159 N PRO B 130 23.972 17.645 -26.097 1.00 34.69 N ATOM 2160 CA PRO B 130 25.295 17.018 -26.232 1.00 34.36 C ATOM 2161 C PRO B 130 25.528 15.816 -25.291 1.00 33.39 C ATOM 2162 O PRO B 130 26.232 14.885 -25.651 1.00 32.94 O ATOM 2163 CB PRO B 130 26.264 18.177 -25.923 1.00 34.49 C ATOM 2164 CG PRO B 130 25.475 19.428 -26.246 1.00 34.83 C ATOM 2165 CD PRO B 130 24.094 19.075 -25.754 1.00 34.95 C ATOM 2166 HA PRO B 130 25.427 16.580 -27.221 1.00 0.00 H ATOM 2167 HD3 PRO B 130 24.011 19.228 -24.678 1.00 0.00 H ATOM 2168 HD2 PRO B 130 23.334 19.666 -26.264 1.00 0.00 H ATOM 2169 HG3 PRO B 130 25.473 19.628 -27.317 1.00 0.00 H ATOM 2170 HG2 PRO B 130 25.873 20.294 -25.717 1.00 0.00 H ATOM 2171 HB2 PRO B 130 26.556 18.166 -24.873 1.00 0.00 H ATOM 2172 HB3 PRO B 130 27.155 18.111 -26.547 1.00 0.00 H ATOM 2173 N LEU B 131 24.927 15.844 -24.106 1.00 33.23 N ATOM 2174 CA LEU B 131 24.953 14.713 -23.166 1.00 33.03 C ATOM 2175 C LEU B 131 24.253 13.459 -23.727 1.00 32.80 C ATOM 2176 O LEU B 131 24.674 12.323 -23.483 1.00 32.43 O ATOM 2177 CB LEU B 131 24.314 15.120 -21.840 1.00 32.75 C ATOM 2178 CG LEU B 131 24.929 16.293 -21.066 1.00 33.30 C ATOM 2179 CD1 LEU B 131 24.148 16.544 -19.784 1.00 34.22 C ATOM 2180 CD2 LEU B 131 26.399 16.044 -20.730 1.00 33.52 C ATOM 2181 HA LEU B 131 25.999 14.452 -23.008 1.00 0.00 H ATOM 2182 HB2 LEU B 131 23.276 15.379 -22.048 1.00 0.00 H ATOM 2183 HB3 LEU B 131 24.346 14.249 -21.185 1.00 0.00 H ATOM 2184 HG LEU B 131 24.874 17.172 -21.709 1.00 0.00 H ATOM 2185 HD21 LEU B 131 26.483 15.147 -20.116 1.00 0.00 H ATOM 2186 HD22 LEU B 131 26.963 15.909 -21.653 1.00 0.00 H ATOM 2187 HD23 LEU B 131 26.795 16.899 -20.182 1.00 0.00 H ATOM 2188 HD11 LEU B 131 23.113 16.782 -20.031 1.00 0.00 H ATOM 2189 HD12 LEU B 131 24.178 15.650 -19.161 1.00 0.00 H ATOM 2190 HD13 LEU B 131 24.596 17.379 -19.245 1.00 0.00 H ATOM 2191 H LEU B 131 24.414 16.706 -23.830 1.00 0.00 H ATOM 2192 N LEU B 132 23.176 13.687 -24.469 1.00 32.17 N ATOM 2193 CA LEU B 132 22.441 12.614 -25.108 1.00 31.71 C ATOM 2194 C LEU B 132 23.239 12.089 -26.302 1.00 31.51 C ATOM 2195 O LEU B 132 23.393 10.881 -26.462 1.00 31.46 O ATOM 2196 CB LEU B 132 21.055 13.105 -25.536 1.00 31.75 C ATOM 2197 CG LEU B 132 19.964 13.187 -24.456 1.00 31.50 C ATOM 2198 CD1 LEU B 132 18.685 13.806 -25.041 1.00 29.84 C ATOM 2199 CD2 LEU B 132 19.677 11.795 -23.895 1.00 30.84 C ATOM 2200 HA LEU B 132 22.300 11.796 -24.402 1.00 0.00 H ATOM 2201 HB2 LEU B 132 21.177 14.105 -25.953 1.00 0.00 H ATOM 2202 HB3 LEU B 132 20.695 12.430 -26.313 1.00 0.00 H ATOM 2203 HG LEU B 132 20.316 13.824 -23.644 1.00 0.00 H ATOM 2204 HD21 LEU B 132 19.337 11.143 -24.700 1.00 0.00 H ATOM 2205 HD22 LEU B 132 20.587 11.387 -23.455 1.00 0.00 H ATOM 2206 HD23 LEU B 132 18.903 11.865 -23.131 1.00 0.00 H ATOM 2207 HD11 LEU B 132 18.903 14.810 -25.406 1.00 0.00 H ATOM 2208 HD12 LEU B 132 18.327 13.188 -25.864 1.00 0.00 H ATOM 2209 HD13 LEU B 132 17.921 13.858 -24.266 1.00 0.00 H ATOM 2210 H LEU B 132 22.850 14.666 -24.596 1.00 0.00 H ATOM 2211 N ASP B 133 23.754 13.004 -27.124 1.00 31.25 N ATOM 2212 CA ASP B 133 24.654 12.653 -28.230 1.00 31.33 C ATOM 2213 C ASP B 133 25.830 11.781 -27.759 1.00 31.43 C ATOM 2214 O ASP B 133 26.166 10.793 -28.411 1.00 31.37 O ATOM 2215 CB ASP B 133 25.150 13.917 -28.954 1.00 30.95 C ATOM 2216 CG ASP B 133 24.021 14.698 -29.640 1.00 31.86 C ATOM 2217 OD1 ASP B 133 22.877 14.184 -29.736 1.00 30.36 O ATOM 2218 OD2 ASP B 133 24.283 15.843 -30.082 1.00 31.94 O ATOM 2219 HA ASP B 133 24.082 12.057 -28.941 1.00 0.00 H ATOM 2220 HB2 ASP B 133 25.630 14.569 -28.225 1.00 0.00 H ATOM 2221 HB3 ASP B 133 25.877 13.622 -29.710 1.00 0.00 H ATOM 2222 H ASP B 133 23.509 14.004 -26.976 1.00 0.00 H ATOM 2223 N MET B 134 26.426 12.144 -26.618 1.00 31.77 N ATOM 2224 CA MET B 134 27.517 11.386 -25.984 1.00 32.35 C ATOM 2225 C MET B 134 27.158 9.920 -25.738 1.00 32.01 C ATOM 2226 O MET B 134 27.942 9.016 -26.014 1.00 31.89 O ATOM 2227 CB MET B 134 27.883 12.007 -24.633 1.00 32.46 C ATOM 2228 CG MET B 134 28.824 13.192 -24.673 1.00 32.52 C ATOM 2229 SD MET B 134 28.818 14.066 -23.079 1.00 34.08 S ATOM 2230 CE MET B 134 29.636 12.877 -22.020 1.00 32.62 C ATOM 2231 HA MET B 134 28.355 11.429 -26.680 1.00 0.00 H ATOM 2232 HB2 MET B 134 26.959 12.332 -24.155 1.00 0.00 H ATOM 2233 HB3 MET B 134 28.351 11.231 -24.026 1.00 0.00 H ATOM 2234 HG2 MET B 134 28.505 13.877 -25.459 1.00 0.00 H ATOM 2235 HG3 MET B 134 29.834 12.841 -24.886 1.00 0.00 H ATOM 2236 HE1 MET B 134 29.063 11.950 -22.007 1.00 0.00 H ATOM 2237 HE2 MET B 134 30.638 12.681 -22.402 1.00 0.00 H ATOM 2238 HE3 MET B 134 29.703 13.279 -21.009 1.00 0.00 H ATOM 2239 H MET B 134 26.099 13.014 -26.151 1.00 0.00 H ATOM 2240 N ALA B 135 25.974 9.696 -25.169 1.00 32.05 N ATOM 2241 CA ALA B 135 25.462 8.339 -24.886 1.00 32.27 C ATOM 2242 C ALA B 135 25.239 7.525 -26.154 1.00 32.01 C ATOM 2243 O ALA B 135 25.564 6.331 -26.206 1.00 32.55 O ATOM 2244 CB ALA B 135 24.148 8.412 -24.079 1.00 32.22 C ATOM 2245 HA ALA B 135 26.227 7.833 -24.297 1.00 0.00 H ATOM 2246 HB1 ALA B 135 24.331 8.925 -23.135 1.00 0.00 H ATOM 2247 HB2 ALA B 135 23.401 8.960 -24.653 1.00 0.00 H ATOM 2248 HB3 ALA B 135 23.788 7.402 -23.881 1.00 0.00 H ATOM 2249 H ALA B 135 25.384 10.513 -24.913 1.00 0.00 H ATOM 2250 N ALA B 136 24.667 8.168 -27.168 1.00 31.80 N ATOM 2251 CA ALA B 136 24.455 7.537 -28.472 1.00 31.99 C ATOM 2252 C ALA B 136 25.764 7.126 -29.162 1.00 32.51 C ATOM 2253 O ALA B 136 25.862 6.024 -29.712 1.00 32.35 O ATOM 2254 CB ALA B 136 23.653 8.453 -29.373 1.00 31.52 C ATOM 2255 HA ALA B 136 23.896 6.619 -28.289 1.00 0.00 H ATOM 2256 HB1 ALA B 136 22.686 8.657 -28.913 1.00 0.00 H ATOM 2257 HB2 ALA B 136 24.195 9.388 -29.513 1.00 0.00 H ATOM 2258 HB3 ALA B 136 23.503 7.971 -30.339 1.00 0.00 H ATOM 2259 H ALA B 136 24.360 9.152 -27.030 1.00 0.00 H ATOM 2260 N ALA B 137 26.758 8.018 -29.135 1.00 32.90 N ATOM 2261 CA ALA B 137 28.034 7.761 -29.802 1.00 33.63 C ATOM 2262 C ALA B 137 28.765 6.594 -29.131 1.00 33.95 C ATOM 2263 O ALA B 137 29.476 5.836 -29.785 1.00 33.25 O ATOM 2264 CB ALA B 137 28.906 9.024 -29.816 1.00 33.60 C ATOM 2265 HA ALA B 137 27.832 7.484 -30.837 1.00 0.00 H ATOM 2266 HB1 ALA B 137 28.384 9.819 -30.349 1.00 0.00 H ATOM 2267 HB2 ALA B 137 29.102 9.340 -28.791 1.00 0.00 H ATOM 2268 HB3 ALA B 137 29.849 8.807 -30.317 1.00 0.00 H ATOM 2269 H ALA B 137 26.621 8.916 -28.628 1.00 0.00 H ATOM 2270 N LEU B 138 28.549 6.442 -27.827 1.00 34.89 N ATOM 2271 CA LEU B 138 29.093 5.310 -27.075 1.00 35.96 C ATOM 2272 C LEU B 138 28.613 3.944 -27.565 1.00 36.58 C ATOM 2273 O LEU B 138 29.327 2.949 -27.416 1.00 36.80 O ATOM 2274 CB LEU B 138 28.769 5.451 -25.584 1.00 36.03 C ATOM 2275 CG LEU B 138 29.595 6.435 -24.759 1.00 36.07 C ATOM 2276 CD1 LEU B 138 29.259 6.240 -23.292 1.00 36.93 C ATOM 2277 CD2 LEU B 138 31.099 6.294 -24.982 1.00 35.72 C ATOM 2278 HA LEU B 138 30.170 5.344 -27.242 1.00 0.00 H ATOM 2279 HB2 LEU B 138 27.726 5.759 -25.507 1.00 0.00 H ATOM 2280 HB3 LEU B 138 28.891 4.467 -25.132 1.00 0.00 H ATOM 2281 HG LEU B 138 29.336 7.442 -25.085 1.00 0.00 H ATOM 2282 HD21 LEU B 138 31.413 5.287 -24.706 1.00 0.00 H ATOM 2283 HD22 LEU B 138 31.327 6.472 -26.033 1.00 0.00 H ATOM 2284 HD23 LEU B 138 31.626 7.022 -24.366 1.00 0.00 H ATOM 2285 HD11 LEU B 138 28.196 6.425 -23.136 1.00 0.00 H ATOM 2286 HD12 LEU B 138 29.498 5.218 -22.999 1.00 0.00 H ATOM 2287 HD13 LEU B 138 29.843 6.937 -22.691 1.00 0.00 H ATOM 2288 H LEU B 138 27.975 7.150 -27.326 1.00 0.00 H ATOM 2289 N GLU B 139 27.410 3.896 -28.143 1.00 37.35 N ATOM 2290 CA GLU B 139 26.826 2.634 -28.614 1.00 38.10 C ATOM 2291 C GLU B 139 27.390 2.237 -29.972 1.00 38.72 C ATOM 2292 O GLU B 139 27.335 1.059 -30.365 1.00 38.97 O ATOM 2293 CB GLU B 139 25.296 2.725 -28.692 1.00 37.97 C ATOM 2294 CG GLU B 139 24.591 3.253 -27.435 1.00 38.70 C ATOM 2295 CD GLU B 139 24.712 2.340 -26.204 1.00 39.89 C ATOM 2296 OE1 GLU B 139 25.055 1.145 -26.337 1.00 41.76 O ATOM 2297 OE2 GLU B 139 24.449 2.828 -25.085 1.00 41.85 O ATOM 2298 HA GLU B 139 27.093 1.866 -27.888 1.00 0.00 H ATOM 2299 HB2 GLU B 139 25.042 3.386 -29.520 1.00 0.00 H ATOM 2300 HB3 GLU B 139 24.912 1.726 -28.896 1.00 0.00 H ATOM 2301 HG2 GLU B 139 25.023 4.222 -27.184 1.00 0.00 H ATOM 2302 HG3 GLU B 139 23.533 3.377 -27.665 1.00 0.00 H ATOM 2303 H GLU B 139 26.872 4.778 -28.263 1.00 0.00 H ATOM 2304 N HIS B 140 27.930 3.221 -30.689 1.00 39.18 N ATOM 2305 CA HIS B 140 28.510 2.979 -32.009 1.00 39.86 C ATOM 2306 C HIS B 140 30.006 2.671 -31.930 1.00 40.57 C ATOM 2307 O HIS B 140 30.650 2.407 -32.948 1.00 40.90 O ATOM 2308 CB HIS B 140 28.223 4.151 -32.947 1.00 39.43 C ATOM 2309 CG HIS B 140 26.761 4.392 -33.177 1.00 39.27 C ATOM 2310 ND1 HIS B 140 25.994 3.588 -33.993 1.00 38.26 N ATOM 2311 CD2 HIS B 140 25.926 5.344 -32.695 1.00 38.02 C ATOM 2312 CE1 HIS B 140 24.752 4.038 -34.011 1.00 38.54 C ATOM 2313 NE2 HIS B 140 24.683 5.100 -33.228 1.00 37.99 N ATOM 2314 HA HIS B 140 28.032 2.091 -32.423 1.00 0.00 H ATOM 2315 HB2 HIS B 140 28.657 5.053 -32.515 1.00 0.00 H ATOM 2316 HB3 HIS B 140 28.694 3.947 -33.908 1.00 0.00 H ATOM 2317 HD2 HIS B 140 26.190 6.152 -32.013 1.00 0.00 H ATOM 2318 HE1 HIS B 140 23.925 3.607 -34.575 1.00 0.00 H ATOM 2319 H HIS B 140 27.939 4.186 -30.300 1.00 0.00 H ATOM 2320 N HIS B 141 30.535 2.677 -30.710 1.00 41.53 N ATOM 2321 CA HIS B 141 31.947 2.394 -30.456 1.00 42.64 C ATOM 2322 C HIS B 141 32.114 1.293 -29.411 1.00 42.83 C ATOM 2323 O HIS B 141 32.502 0.170 -29.748 1.00 43.43 O ATOM 2324 CB HIS B 141 32.691 3.670 -30.028 1.00 42.84 C ATOM 2325 CG HIS B 141 32.637 4.767 -31.049 1.00 44.21 C ATOM 2326 ND1 HIS B 141 32.035 5.984 -30.806 1.00 45.34 N ATOM 2327 CD2 HIS B 141 33.090 4.821 -32.325 1.00 45.40 C ATOM 2328 CE1 HIS B 141 32.124 6.742 -31.885 1.00 44.98 C ATOM 2329 NE2 HIS B 141 32.762 6.061 -32.820 1.00 46.32 N ATOM 2330 HA HIS B 141 32.387 2.037 -31.387 1.00 0.00 H ATOM 2331 HB2 HIS B 141 32.244 4.036 -29.104 1.00 0.00 H ATOM 2332 HB3 HIS B 141 33.736 3.416 -29.849 1.00 0.00 H ATOM 2333 HD2 HIS B 141 33.616 4.030 -32.859 1.00 0.00 H ATOM 2334 HE1 HIS B 141 31.737 7.756 -31.986 1.00 0.00 H ATOM 2335 H HIS B 141 29.918 2.892 -29.901 1.00 0.00 H TER 2336 HIS B 141 HETATM 2337 O HOH 1 28.275 18.966 -13.106 1.00 21.36 O HETATM 2338 O HOH 2 32.350 14.429 -11.928 1.00 28.93 O HETATM 2339 O HOH 3 29.784 22.437 -12.173 1.00 26.65 O HETATM 2340 O HOH 4 26.648 2.972 -12.330 1.00 29.49 O HETATM 2341 O HOH 5 33.152 4.369 -4.578 1.00 34.56 O HETATM 2342 O HOH 6 24.062 28.853 -9.173 1.00 37.39 O HETATM 2343 O HOH 7 17.022 19.938 4.118 1.00 27.56 O HETATM 2344 O HOH 8 24.252 19.765 5.614 1.00 23.94 O HETATM 2345 O HOH 9 16.820 25.247 -11.915 1.00 40.83 O HETATM 2346 O HOH 10 31.072 26.570 -17.878 1.00 32.46 O HETATM 2347 O HOH 11 23.765 26.498 4.326 1.00 25.21 O HETATM 2348 O HOH 12 32.617 22.227 -9.057 1.00 39.26 O HETATM 2349 O HOH 13 20.687 3.496 -7.128 1.00 31.92 O HETATM 2350 O HOH 14 14.008 35.434 -10.341 1.00 43.53 O HETATM 2351 O HOH 15 31.300 24.199 -7.616 1.00 38.14 O HETATM 2352 O HOH 16 30.941 21.385 -19.026 1.00 33.85 O HETATM 2353 O HOH 17 32.652 17.064 -13.046 1.00 28.17 O HETATM 2354 O HOH 18 29.321 28.427 -2.023 1.00 32.76 O HETATM 2355 O HOH 19 8.440 24.560 -17.742 1.00 45.46 O HETATM 2356 O HOH 20 22.687 0.453 -21.033 1.00 33.48 O HETATM 2357 O HOH 21 20.059 14.191 6.066 1.00 30.86 O HETATM 2358 O HOH 22 34.744 19.390 0.976 1.00 36.17 O HETATM 2359 O HOH 23 17.536 27.927 -11.554 1.00 35.36 O HETATM 2360 O HOH 24 31.853 20.866 11.579 1.00 44.00 O HETATM 2361 O HOH 25 28.354 31.476 -2.896 1.00 45.82 O HETATM 2362 O HOH 26 33.438 14.070 -2.792 1.00 42.54 O HETATM 2363 O HOH 27 12.751 9.067 -19.233 1.00 38.30 O HETATM 2364 O HOH 28 30.518 9.318 -26.465 1.00 32.97 O HETATM 2365 O HOH 29 13.382 4.232 1.018 1.00 46.54 O HETATM 2366 O HOH 30 17.258 6.041 -14.415 1.00 26.55 O HETATM 2367 O HOH 31 14.915 3.131 -11.055 1.00 42.64 O HETATM 2368 O HOH 32 21.648 2.003 -9.200 1.00 44.84 O HETATM 2369 O HOH 33 22.333 17.764 -31.390 1.00 46.55 O HETATM 2370 O HOH 34 10.969 7.668 -17.854 1.00 47.86 O HETATM 2371 O HOH 35 18.450 26.938 -4.707 1.00 36.31 O HETATM 2372 O HOH 36 15.812 -1.255 -8.600 1.00 52.56 O HETATM 2373 O HOH 37 18.957 -2.503 -10.522 1.00 58.44 O HETATM 2374 O HOH 38 12.245 15.074 -13.835 1.00 38.99 O HETATM 2375 O HOH 39 10.148 4.260 -2.970 1.00 45.45 O HETATM 2376 O HOH 40 11.365 20.061 -8.884 1.00 34.88 O HETATM 2377 O HOH 41 5.331 22.140 -0.590 1.00 42.97 O HETATM 2378 O HOH 42 14.077 13.265 -12.918 1.00 32.18 O HETATM 2379 N TYR A 43 15.558 4.489 -5.085 1.00 0.24 N HETATM 2380 CA TYR A 43 15.266 5.834 -5.671 1.00 0.07 C HETATM 2381 C TYR A 43 14.721 5.742 -7.095 1.00 0.23 C HETATM 2382 O TYR A 43 15.071 4.839 -7.861 1.00 -0.39 O HETATM 2383 N TYR A 43 13.857 6.690 -7.433 1.00 -0.26 N HETATM 2384 CA TYR A 43 13.292 6.773 -8.759 1.00 0.16 C HETATM 2385 CB TYR A 43 11.882 6.182 -8.785 1.00 0.12 C HETATM 2386 OG TYR A 43 11.240 6.497 -10.006 1.00 -0.27 O HETATM 2387 P TYR A 43 10.954 5.188 -10.902 1.00 0.20 P HETATM 2388 O1P TYR A 43 10.500 5.673 -12.361 1.00 -0.55 O HETATM 2389 O2P TYR A 43 12.294 4.295 -11.035 1.00 -0.55 O HETATM 2390 O3P TYR A 43 9.761 4.324 -10.250 1.00 -0.55 O HETATM 2391 H14 TYR A 43 11.299 6.598 -7.950 1.00 0.07 H HETATM 2392 H15 TYR A 43 11.945 5.089 -8.680 1.00 0.07 H HETATM 2393 C TYR A 43 13.271 8.228 -9.159 1.00 0.21 C HETATM 2394 O TYR A 43 12.771 9.063 -8.402 1.00 -0.39 O HETATM 2395 N TYR A 43 13.838 8.548 -10.343 1.00 -0.25 N HETATM 2396 CA TYR A 43 13.872 9.929 -10.854 1.00 0.13 C HETATM 2397 C TYR A 43 12.490 10.506 -11.211 1.00 0.20 C HETATM 2398 O TYR A 43 12.393 11.692 -11.536 1.00 -0.39 O HETATM 2399 N TYR A 43 11.443 9.680 -11.151 1.00 -0.26 N HETATM 2400 CA TYR A 43 10.055 10.156 -11.316 1.00 0.16 C HETATM 2401 C TYR A 43 9.326 10.357 -9.980 1.00 0.21 C HETATM 2402 O TYR A 43 8.185 10.825 -9.962 1.00 -0.39 O HETATM 2403 N TYR A 43 9.986 10.000 -8.873 1.00 -0.26 N HETATM 2404 CA TYR A 43 9.369 10.038 -7.539 1.00 0.16 C HETATM 2405 CB TYR A 43 10.108 9.101 -6.560 1.00 0.12 C HETATM 2406 OG TYR A 43 9.277 8.882 -5.406 1.00 -0.27 O HETATM 2407 P TYR A 43 8.937 7.244 -5.357 1.00 0.20 P HETATM 2408 O1P TYR A 43 8.425 6.685 -6.844 1.00 -0.55 O HETATM 2409 O2P TYR A 43 10.281 6.449 -4.853 1.00 -0.55 O HETATM 2410 O3P TYR A 43 7.558 6.984 -4.284 1.00 -0.55 O HETATM 2411 H32 TYR A 43 11.056 9.565 -6.250 1.00 0.07 H HETATM 2412 H33 TYR A 43 10.315 8.140 -7.054 1.00 0.07 H HETATM 2413 C TYR A 43 9.327 11.452 -6.955 1.00 0.21 C HETATM 2414 O TYR A 43 10.378 12.079 -6.796 1.00 -0.39 O HETATM 2415 N TYR A 43 8.109 11.945 -6.621 1.00 -0.25 N HETATM 2416 CA TYR A 43 7.877 13.300 -6.089 1.00 0.13 C HETATM 2417 C TYR A 43 8.883 13.745 -5.017 1.00 0.20 C HETATM 2418 O TYR A 43 9.218 12.967 -4.116 1.00 -0.39 O HETATM 2419 N TYR A 43 9.354 14.989 -5.134 1.00 -0.26 N HETATM 2420 CA TYR A 43 10.282 15.594 -4.174 1.00 0.15 C HETATM 2421 C TYR A 43 9.682 15.667 -2.775 1.00 0.21 C HETATM 2422 O TYR A 43 8.473 15.872 -2.623 1.00 -0.39 O HETATM 2423 N TYR A 43 10.529 15.506 -1.759 1.00 -0.26 N HETATM 2424 CA TYR A 43 10.067 15.492 -0.367 1.00 0.14 C HETATM 2425 C TYR A 43 9.486 16.839 0.067 1.00 0.21 C HETATM 2426 O TYR A 43 9.887 17.893 -0.437 1.00 -0.39 O HETATM 2427 N TYR A 43 8.532 16.793 0.993 1.00 -0.26 N HETATM 2428 CA TYR A 43 7.895 17.999 1.502 1.00 0.14 C HETATM 2429 CB TYR A 43 6.452 17.708 1.907 1.00 0.12 C HETATM 2430 OG TYR A 43 5.773 18.907 2.232 1.00 -0.27 O HETATM 2431 P TYR A 43 4.464 19.099 1.308 1.00 0.20 P HETATM 2432 O1P TYR A 43 3.878 20.580 1.549 1.00 -0.55 O HETATM 2433 O2P TYR A 43 4.851 18.911 -0.249 1.00 -0.55 O HETATM 2434 O3P TYR A 43 3.337 18.028 1.734 1.00 -0.55 O HETATM 2435 H57 TYR A 43 6.450 17.043 2.783 1.00 0.07 H HETATM 2436 H58 TYR A 43 5.934 17.215 1.071 1.00 0.07 H HETATM 2437 C TYR A 43 8.675 18.573 2.680 1.00 0.13 C HETATM 2438 O TYR A 43 9.646 19.305 2.493 1.00 -0.37 O HETATM 2439 H59 TYR A 43 8.369 18.332 3.697 1.00 0.14 H HETATM 2440 H56 TYR A 43 7.885 18.749 0.698 1.00 0.08 H HETATM 2441 H55 TYR A 43 8.244 15.904 1.350 1.00 0.19 H HETATM 2442 CB TYR A 43 11.168 14.995 0.600 1.00 0.02 C HETATM 2443 CG TYR A 43 12.252 15.999 0.964 1.00 -0.05 C HETATM 2444 CD1 TYR A 43 12.005 17.025 1.883 1.00 -0.07 C HETATM 2445 CE1 TYR A 43 12.996 17.946 2.229 1.00 -0.04 C HETATM 2446 CZ TYR A 43 14.261 17.840 1.668 1.00 0.08 C HETATM 2447 CE2 TYR A 43 14.543 16.814 0.771 1.00 -0.04 C HETATM 2448 CD2 TYR A 43 13.537 15.897 0.426 1.00 -0.07 C HETATM 2449 H51 TYR A 43 13.761 15.097 -0.270 1.00 0.05 H HETATM 2450 H53 TYR A 43 15.534 16.723 0.341 1.00 0.05 H HETATM 2451 OH TYR A 43 15.235 18.754 2.021 1.00 -0.34 O HETATM 2452 H54 TYR A 43 15.965 18.298 2.424 1.00 0.25 H HETATM 2453 H52 TYR A 43 12.778 18.741 2.933 1.00 0.05 H HETATM 2454 H50 TYR A 43 11.024 17.107 2.336 1.00 0.05 H HETATM 2455 H48 TYR A 43 11.658 14.128 0.132 1.00 0.05 H HETATM 2456 H49 TYR A 43 10.677 14.680 1.532 1.00 0.05 H HETATM 2457 H47 TYR A 43 9.245 14.762 -0.314 1.00 0.08 H HETATM 2458 H46 TYR A 43 11.504 15.392 -1.950 1.00 0.19 H HETATM 2459 CB TYR A 43 10.671 16.998 -4.633 1.00 0.08 C HETATM 2460 OG TYR A 43 11.301 16.958 -5.899 1.00 -0.39 O HETATM 2461 H45 TYR A 43 11.534 17.840 -6.164 1.00 0.21 H HETATM 2462 H43 TYR A 43 11.363 17.438 -3.900 1.00 0.06 H HETATM 2463 H44 TYR A 43 9.765 17.619 -4.701 1.00 0.06 H HETATM 2464 H42 TYR A 43 11.188 14.972 -4.131 1.00 0.08 H HETATM 2465 H41 TYR A 43 9.058 15.536 -5.917 1.00 0.19 H HETATM 2466 CB TYR A 43 6.469 13.200 -5.488 1.00 -0.01 C HETATM 2467 CG TYR A 43 5.780 12.184 -6.332 1.00 -0.03 C HETATM 2468 CD TYR A 43 6.844 11.192 -6.761 1.00 0.04 C HETATM 2469 H39 TYR A 43 6.841 10.307 -6.107 1.00 0.05 H HETATM 2470 H40 TYR A 43 6.689 10.878 -7.804 1.00 0.05 H HETATM 2471 H37 TYR A 43 5.330 12.664 -7.213 1.00 0.03 H HETATM 2472 H38 TYR A 43 4.997 11.675 -5.751 1.00 0.03 H HETATM 2473 H35 TYR A 43 5.952 14.169 -5.544 1.00 0.03 H HETATM 2474 H36 TYR A 43 6.515 12.869 -4.440 1.00 0.03 H HETATM 2475 H34 TYR A 43 7.898 14.031 -6.910 1.00 0.08 H HETATM 2476 H31 TYR A 43 8.333 9.682 -7.641 1.00 0.08 H HETATM 2477 H30 TYR A 43 10.935 9.696 -8.956 1.00 0.19 H HETATM 2478 CB TYR A 43 9.195 9.206 -12.194 1.00 0.09 C HETATM 2479 OG1 TYR A 43 9.294 7.867 -11.696 1.00 -0.39 O HETATM 2480 H26 TYR A 43 10.201 7.587 -11.723 1.00 0.21 H HETATM 2481 CG2 TYR A 43 9.633 9.243 -13.647 1.00 -0.03 C HETATM 2482 H27 TYR A 43 9.004 8.560 -14.237 1.00 0.03 H HETATM 2483 H28 TYR A 43 10.684 8.929 -13.721 1.00 0.03 H HETATM 2484 H29 TYR A 43 9.528 10.267 -14.036 1.00 0.03 H HETATM 2485 H25 TYR A 43 8.146 9.531 -12.136 1.00 0.06 H HETATM 2486 H24 TYR A 43 10.108 11.131 -11.822 1.00 0.08 H HETATM 2487 H23 TYR A 43 11.604 8.707 -10.989 1.00 0.19 H HETATM 2488 CB TYR A 43 14.765 9.817 -12.097 1.00 -0.01 C HETATM 2489 CG TYR A 43 14.635 8.386 -12.530 1.00 -0.03 C HETATM 2490 CD TYR A 43 14.506 7.604 -11.263 1.00 0.04 C HETATM 2491 H21 TYR A 43 13.893 6.704 -11.417 1.00 0.05 H HETATM 2492 H22 TYR A 43 15.494 7.313 -10.878 1.00 0.05 H HETATM 2493 H19 TYR A 43 15.528 8.069 -13.089 1.00 0.03 H HETATM 2494 H20 TYR A 43 13.742 8.253 -13.158 1.00 0.03 H HETATM 2495 H17 TYR A 43 15.810 10.053 -11.847 1.00 0.03 H HETATM 2496 H18 TYR A 43 14.415 10.495 -12.889 1.00 0.03 H HETATM 2497 H16 TYR A 43 14.337 10.590 -10.107 1.00 0.08 H HETATM 2498 H13 TYR A 43 13.925 6.211 -9.461 1.00 0.08 H HETATM 2499 H12 TYR A 43 13.589 7.368 -6.748 1.00 0.19 H HETATM 2500 CB TYR A 43 16.507 6.742 -5.634 1.00 0.04 C HETATM 2501 CG TYR A 43 16.286 8.141 -6.207 1.00 -0.05 C HETATM 2502 CD1 TYR A 43 15.673 9.143 -5.454 1.00 -0.07 C HETATM 2503 CE1 TYR A 43 15.479 10.415 -5.975 1.00 -0.04 C HETATM 2504 CZ TYR A 43 15.898 10.704 -7.272 1.00 0.08 C HETATM 2505 CE2 TYR A 43 16.499 9.723 -8.041 1.00 -0.04 C HETATM 2506 CD2 TYR A 43 16.684 8.452 -7.506 1.00 -0.07 C HETATM 2507 H8 TYR A 43 17.149 7.685 -8.114 1.00 0.05 H HETATM 2508 H10 TYR A 43 16.823 9.943 -9.052 1.00 0.05 H HETATM 2509 OH TYR A 43 15.717 11.969 -7.807 1.00 -0.34 O HETATM 2510 H11 TYR A 43 15.171 11.909 -8.582 1.00 0.25 H HETATM 2511 H9 TYR A 43 15.003 11.181 -5.374 1.00 0.05 H HETATM 2512 H7 TYR A 43 15.343 8.925 -4.445 1.00 0.05 H HETATM 2513 H5 TYR A 43 17.306 6.256 -6.213 1.00 0.05 H HETATM 2514 H6 TYR A 43 16.825 6.846 -4.586 1.00 0.05 H HETATM 2515 H4 TYR A 43 14.489 6.302 -5.048 1.00 0.11 H HETATM 2516 H1 TYR A 43 15.914 4.601 -4.149 1.00 0.20 H HETATM 2517 H2 TYR A 43 16.245 4.018 -5.652 1.00 0.20 H HETATM 2518 H3 TYR A 43 14.711 3.942 -5.060 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2379 2380 2516 2517 2518 CONECT 2380 2379 2381 2500 2515 CONECT 2381 2380 2382 2383 CONECT 2382 2381 CONECT 2383 2381 2384 2499 CONECT 2384 2383 2385 2393 2498 CONECT 2385 2384 2386 2391 2392 CONECT 2386 2385 2387 CONECT 2387 2386 2388 2389 2390 CONECT 2388 2387 CONECT 2389 2387 CONECT 2390 2387 CONECT 2391 2385 CONECT 2392 2385 CONECT 2393 2384 2394 2395 CONECT 2394 2393 CONECT 2395 2393 2396 2490 CONECT 2396 2395 2397 2488 2497 CONECT 2397 2396 2398 2399 CONECT 2398 2397 CONECT 2399 2397 2400 2487 CONECT 2400 2399 2401 2478 2486 CONECT 2401 2400 2402 2403 CONECT 2402 2401 CONECT 2403 2401 2404 2477 CONECT 2404 2403 2405 2413 2476 CONECT 2405 2404 2406 2411 2412 CONECT 2406 2405 2407 CONECT 2407 2406 2408 2409 2410 CONECT 2408 2407 CONECT 2409 2407 CONECT 2410 2407 CONECT 2411 2405 CONECT 2412 2405 CONECT 2413 2404 2414 2415 CONECT 2414 2413 CONECT 2415 2413 2416 2468 CONECT 2416 2415 2417 2466 2475 CONECT 2417 2416 2418 2419 CONECT 2418 2417 CONECT 2419 2417 2420 2465 CONECT 2420 2419 2421 2459 2464 CONECT 2421 2420 2422 2423 CONECT 2422 2421 CONECT 2423 2421 2424 2458 CONECT 2424 2423 2425 2442 2457 CONECT 2425 2424 2426 2427 CONECT 2426 2425 CONECT 2427 2425 2428 2441 CONECT 2428 2427 2429 2437 2440 CONECT 2429 2428 2430 2435 2436 CONECT 2430 2429 2431 CONECT 2431 2430 2432 2433 2434 CONECT 2432 2431 CONECT 2433 2431 CONECT 2434 2431 CONECT 2435 2429 CONECT 2436 2429 CONECT 2437 2428 2438 2439 CONECT 2438 2437 CONECT 2439 2437 CONECT 2440 2428 CONECT 2441 2427 CONECT 2442 2424 2443 2455 2456 CONECT 2443 2442 2444 2448 CONECT 2444 2443 2445 2454 CONECT 2445 2444 2446 2453 CONECT 2446 2445 2447 2451 CONECT 2447 2446 2448 2450 CONECT 2448 2443 2447 2449 CONECT 2449 2448 CONECT 2450 2447 CONECT 2451 2446 2452 CONECT 2452 2451 CONECT 2453 2445 CONECT 2454 2444 CONECT 2455 2442 CONECT 2456 2442 CONECT 2457 2424 CONECT 2458 2423 CONECT 2459 2420 2460 2462 2463 CONECT 2460 2459 2461 CONECT 2461 2460 CONECT 2462 2459 CONECT 2463 2459 CONECT 2464 2420 CONECT 2465 2419 CONECT 2466 2416 2467 2473 2474 CONECT 2467 2466 2468 2471 2472 CONECT 2468 2415 2467 2469 2470 CONECT 2469 2468 CONECT 2470 2468 CONECT 2471 2467 CONECT 2472 2467 CONECT 2473 2466 CONECT 2474 2466 CONECT 2475 2416 CONECT 2476 2404 CONECT 2477 2403 CONECT 2478 2400 2479 2481 2485 CONECT 2479 2478 2480 CONECT 2480 2479 CONECT 2481 2478 2482 2483 2484 CONECT 2482 2481 CONECT 2483 2481 CONECT 2484 2481 CONECT 2485 2478 CONECT 2486 2400 CONECT 2487 2399 CONECT 2488 2396 2489 2495 2496 CONECT 2489 2488 2490 2493 2494 CONECT 2490 2395 2489 2491 2492 CONECT 2491 2490 CONECT 2492 2490 CONECT 2493 2489 CONECT 2494 2489 CONECT 2495 2488 CONECT 2496 2488 CONECT 2497 2396 CONECT 2498 2384 CONECT 2499 2383 CONECT 2500 2380 2501 2513 2514 CONECT 2501 2500 2502 2506 CONECT 2502 2501 2503 2512 CONECT 2503 2502 2504 2511 CONECT 2504 2503 2505 2509 CONECT 2505 2504 2506 2508 CONECT 2506 2501 2505 2507 CONECT 2507 2506 CONECT 2508 2505 CONECT 2509 2504 2510 CONECT 2510 2509 CONECT 2511 2503 CONECT 2512 2502 CONECT 2513 2500 CONECT 2514 2500 CONECT 2515 2380 CONECT 2516 2379 CONECT 2517 2379 CONECT 2518 2379 MASTER 0 0 0 0 0 0 0 0 2517 1 144 11 END
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Related entries of code: 3d9k
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
145aa, >3D9L_1|Chains... at 100%
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RCSB PDB
PDBbind
145aa, >3D9M_1|Chains... at 100%
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PDBbind
145aa, >3D9N_1|Chains... at 100%
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PDBbind
145aa, >3D9O_1|Chains... at 98%
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PDBbind
145aa, >3D9P_1|Chains... at 99%
Complexes with the same small molecule ligand
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Ligand Name
1azg
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14-mer
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14-mer
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1i3z
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PDBbind
14-mer
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PDBbind
14-mer
1ntv
RCSB PDB
PDBbind
14-mer
1oj5
RCSB PDB
PDBbind
14-mer
1oxg
RCSB PDB
PDBbind
14-mer
1sfi
RCSB PDB
PDBbind
14-mer
1t29
RCSB PDB
PDBbind
14-mer
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PDBbind
14-mer
1xh3
RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
1y19
RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
2l75
RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
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PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
14-mer
2oi3
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2xl2
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PDBbind
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2xl3
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14-mer
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PDBbind
14-mer
2xs0
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PDBbind
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2y8o
RCSB PDB
PDBbind
14-mer
3d9l
RCSB PDB
PDBbind
14-mer
3d9m
RCSB PDB
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PDBbind
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3lrh
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3pkn
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PDBbind
14-mer
4erq
RCSB PDB
PDBbind
14-mer
4ery
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PDBbind
14-mer
4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
14-mer
4ewr
RCSB PDB
PDBbind
14-mer
4fi9
RCSB PDB
PDBbind
14-mer
4gly
RCSB PDB
PDBbind
14-mer
4gxl
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PDBbind
14-mer
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RCSB PDB
PDBbind
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PDBbind
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14-mer
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PDBbind
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4ov5
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RCSB PDB
PDBbind
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5aer
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PDBbind
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5dpw
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PDBbind
14-mer
5e0l
RCSB PDB
PDBbind
14-mer
5eoc
RCSB PDB
PDBbind
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5h5s
RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
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PDBbind
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5ly2
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PDBbind
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PDBbind
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RCSB PDB
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5zoo
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PDBbind
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PDBbind
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PDBbind
14-mer
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
14-mer
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
14-mer
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Entry Information
PDB ID
3d9k
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
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=19uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 22659-22669
Ligand Properties
Formula
C
4
4
H
6
8
N
9
O
2
5
P
3
Molecular Weight
1215.980
Exact Mass
1215.350
No. of atoms
149
No. of bonds
152
Polar Surface Area
591.38
LOGP Value
-10.61 (
Computed with XLOGP3
)
-5.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](COP(O)(O)O)C=O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])COP(O)(O)O)COP(O)(O)O
InChI String
InChI=1S/C44H70N9O25P3/c1-23(56)36(51-41(63)35-5-3-15-53(35)43(65)32(21-77-80(70,71)72)49-37(59)29(45)16-24-6-10-27(57)11-7-24)42(64)50-33(22-78-81(73,74)75)44(66)52-14-2-4-34(52)40(62)48-31(19-55)39(61)47-30(17-25-8-12-28(58)13-9-25)38(60)46-26(18-54)20-76-79(67,68)69/h6-13,18,23,26,29-36,55-58,67-75,79-81H,2-5,14-17,19-22,45H2,1H3,(H,46,60)(H,47,61)(H,48,62)(H,49,59)(H,50,64)(H,51,63)/p+1/t23-,26-,29+,30+,31+,32+,33+,34+,35+,36+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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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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