Browse entries in the PDBbind-CN Database
HEADER 4YWA_COMPLEX COMPND 4YWA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 ALA TRP LYS GLY GLU VAL LEU ALA ASN ASN GLU ALA GLY SEQRES 2 A 121 GLN VAL THR SER ILE ILE TYR ASN PRO GLY ASP VAL ILE SEQRES 3 A 121 THR ILE VAL ALA ALA GLY TRP ALA SER TYR GLY PRO THR SEQRES 4 A 121 GLN LYS TRP GLY PRO GLN GLY ASP ARG GLU HIS PRO ASP SEQRES 5 A 121 GLN GLY LEU ILE CYS HIS ASP ALA PHE CYS GLY ALA LEU SEQRES 6 A 121 VAL MET LYS ILE GLY ASN SER GLY THR ILE PRO VAL ASN SEQRES 7 A 121 THR GLY LEU PHE ARG TRP VAL ALA PRO ASN ASN VAL GLN SEQRES 8 A 121 GLY ALA ILE THR LEU ILE TYR ASN ASP VAL PRO GLY THR SEQRES 9 A 121 TYR GLY ASN ASN SER GLY SER PHE SER VAL ASN ILE GLY SEQRES 10 A 121 LYS ASP GLN SER SEQRES 1 B 121 ALA TRP LYS GLY GLU VAL LEU ALA ASN ASN GLU ALA GLY SEQRES 2 B 121 GLN VAL THR SER ILE ILE TYR ASN PRO GLY ASP VAL ILE SEQRES 3 B 121 THR ILE VAL ALA ALA GLY TRP ALA SER TYR GLY PRO THR SEQRES 4 B 121 GLN LYS TRP GLY PRO GLN GLY ASP ARG GLU HIS PRO ASP SEQRES 5 B 121 GLN GLY LEU ILE CYS HIS ASP ALA PHE CYS GLY ALA LEU SEQRES 6 B 121 VAL MET LYS ILE GLY ASN SER GLY THR ILE PRO VAL ASN SEQRES 7 B 121 THR GLY LEU PHE ARG TRP VAL ALA PRO ASN ASN VAL GLN SEQRES 8 B 121 GLY ALA ILE THR LEU ILE TYR ASN ASP VAL PRO GLY THR SEQRES 9 B 121 TYR GLY ASN ASN SER GLY SER PHE SER VAL ASN ILE GLY SEQRES 10 B 121 LYS ASP GLN SER HET CA A 1 1 HET CA A 2 1 HET UNN A 704 136 ATOM 1 N ALA A 1 12.896 38.710 72.655 1.00 22.80 N ATOM 2 CA ALA A 1 13.290 38.293 71.305 1.00 17.43 C ATOM 3 C ALA A 1 12.319 38.910 70.300 1.00 20.79 C ATOM 4 O ALA A 1 11.258 39.415 70.676 1.00 21.73 O ATOM 5 CB ALA A 1 13.296 36.795 71.208 1.00 20.34 C ATOM 6 HN3 ALA A 1 11.929 38.381 72.850 1.00 0.00 H ATOM 7 HN2 ALA A 1 12.931 39.747 72.720 1.00 0.00 H ATOM 8 HN1 ALA A 1 13.550 38.296 73.349 1.00 0.00 H ATOM 9 N TRP A 2 12.683 38.889 69.017 1.00 15.92 N ATOM 10 CA TRP A 2 11.868 39.519 67.990 1.00 15.33 C ATOM 11 C TRP A 2 11.791 38.538 66.833 1.00 13.44 C ATOM 12 O TRP A 2 12.770 37.892 66.490 1.00 13.17 O ATOM 13 CB TRP A 2 12.507 40.842 67.556 1.00 16.23 C ATOM 14 CG TRP A 2 11.754 41.555 66.483 1.00 18.19 C ATOM 15 CD1 TRP A 2 10.722 42.442 66.644 1.00 18.12 C ATOM 16 CD2 TRP A 2 11.956 41.426 65.074 1.00 15.56 C ATOM 17 NE1 TRP A 2 10.280 42.880 65.413 1.00 18.36 N ATOM 18 CE2 TRP A 2 11.020 42.267 64.435 1.00 16.22 C ATOM 19 CE3 TRP A 2 12.835 40.677 64.287 1.00 16.57 C ATOM 20 CZ2 TRP A 2 10.959 42.395 63.048 1.00 18.51 C ATOM 21 CZ3 TRP A 2 12.770 40.810 62.920 1.00 16.93 C ATOM 22 CH2 TRP A 2 11.837 41.652 62.313 1.00 18.05 C ATOM 23 HE1 TRP A 2 9.512 43.563 65.253 1.00 0.00 H ATOM 24 H TRP A 2 13.567 38.413 68.746 1.00 0.00 H ATOM 25 N LYS A 3 10.615 38.395 66.237 1.00 14.31 N ATOM 26 CA LYS A 3 10.499 37.667 64.991 1.00 15.24 C ATOM 27 C LYS A 3 9.662 38.521 64.064 1.00 15.85 C ATOM 28 O LYS A 3 8.651 39.120 64.473 1.00 16.94 O ATOM 29 CB LYS A 3 9.817 36.320 65.197 1.00 18.05 C ATOM 30 CG LYS A 3 9.674 35.537 63.905 1.00 20.99 C ATOM 31 CD LYS A 3 9.105 34.140 64.124 1.00 33.89 C ATOM 32 CE LYS A 3 9.021 33.375 62.799 1.00 36.91 C ATOM 33 NZ LYS A 3 8.447 32.011 62.953 1.00 44.48 N ATOM 34 HZ1 LYS A 3 9.042 31.457 63.602 1.00 0.00 H ATOM 35 HZ2 LYS A 3 7.484 32.083 63.339 1.00 0.00 H ATOM 36 HZ3 LYS A 3 8.415 31.543 62.025 1.00 0.00 H ATOM 37 H LYS A 3 9.766 38.811 66.670 1.00 0.00 H ATOM 38 N GLY A 4 10.057 38.571 62.798 1.00 13.88 N ATOM 39 CA GLY A 4 9.315 39.366 61.844 1.00 15.89 C ATOM 40 C GLY A 4 9.861 39.227 60.447 1.00 14.76 C ATOM 41 O GLY A 4 10.848 38.536 60.216 1.00 16.57 O ATOM 42 H GLY A 4 10.898 38.040 62.493 1.00 0.00 H ATOM 43 N GLU A 5 9.215 39.898 59.513 1.00 15.38 N ATOM 44 CA GLU A 5 9.606 39.860 58.125 1.00 15.02 C ATOM 45 C GLU A 5 10.294 41.146 57.735 1.00 15.04 C ATOM 46 O GLU A 5 9.939 42.235 58.201 1.00 17.57 O ATOM 47 CB GLU A 5 8.353 39.712 57.278 1.00 18.28 C ATOM 48 CG GLU A 5 7.596 38.414 57.494 1.00 30.96 C ATOM 49 CD GLU A 5 8.282 37.208 56.870 1.00 42.74 C ATOM 50 OE1 GLU A 5 8.898 37.346 55.785 1.00 39.13 O ATOM 51 OE2 GLU A 5 8.199 36.116 57.470 1.00 46.96 O ATOM 52 H GLU A 5 8.394 40.475 59.787 1.00 0.00 H ATOM 53 N VAL A 6 11.269 41.003 56.850 1.00 13.04 N ATOM 54 CA VAL A 6 11.993 42.127 56.279 1.00 12.40 C ATOM 55 C VAL A 6 11.712 42.114 54.785 1.00 12.92 C ATOM 56 O VAL A 6 12.152 41.213 54.093 1.00 13.11 O ATOM 57 CB VAL A 6 13.513 41.987 56.536 1.00 13.52 C ATOM 58 CG1 VAL A 6 14.233 43.234 56.019 1.00 18.12 C ATOM 59 CG2 VAL A 6 13.784 41.743 58.035 1.00 16.22 C ATOM 60 H VAL A 6 11.529 40.042 56.550 1.00 0.00 H ATOM 61 N LEU A 7 10.932 43.082 54.291 1.00 12.24 N ATOM 62 CA LEU A 7 10.580 43.112 52.866 1.00 12.82 C ATOM 63 C LEU A 7 11.731 43.640 52.028 1.00 11.32 C ATOM 64 O LEU A 7 12.367 44.624 52.391 1.00 12.45 O ATOM 65 CB LEU A 7 9.352 43.996 52.650 1.00 15.61 C ATOM 66 CG LEU A 7 8.018 43.260 52.731 1.00 20.02 C ATOM 67 CD1 LEU A 7 7.821 42.537 54.068 1.00 24.00 C ATOM 68 CD2 LEU A 7 6.885 44.247 52.465 1.00 26.63 C ATOM 69 H LEU A 7 10.570 43.823 54.925 1.00 0.00 H ATOM 70 N ALA A 8 11.966 42.970 50.920 1.00 12.01 N ATOM 71 CA ALA A 8 13.052 43.356 50.039 1.00 12.73 C ATOM 72 C ALA A 8 12.861 44.756 49.448 1.00 13.65 C ATOM 73 O ALA A 8 13.850 45.424 49.170 1.00 12.75 O ATOM 74 CB ALA A 8 13.204 42.343 48.931 1.00 13.36 C ATOM 75 H ALA A 8 11.367 42.156 50.674 1.00 0.00 H ATOM 76 N ASN A 9 11.623 45.216 49.342 1.00 12.53 N ATOM 77 CA ASN A 9 11.406 46.534 48.734 1.00 13.73 C ATOM 78 C ASN A 9 11.368 47.650 49.774 1.00 15.13 C ATOM 79 O ASN A 9 11.039 48.793 49.435 1.00 17.23 O ATOM 80 CB ASN A 9 10.148 46.528 47.857 1.00 15.25 C ATOM 81 CG ASN A 9 8.845 46.485 48.670 1.00 16.29 C ATOM 82 OD1 ASN A 9 8.856 46.427 49.903 1.00 15.82 O ATOM 83 ND2 ASN A 9 7.708 46.486 47.964 1.00 18.51 N ATOM 84 HD22 ASN A 9 7.741 46.536 46.926 1.00 0.00 H ATOM 85 HD21 ASN A 9 6.792 46.437 48.454 1.00 0.00 H ATOM 86 H ASN A 9 10.819 44.653 49.684 1.00 0.00 H ATOM 87 N ASN A 10 11.676 47.361 51.041 1.00 14.04 N ATOM 88 CA ASN A 10 11.549 48.351 52.095 1.00 14.69 C ATOM 89 C ASN A 10 12.877 49.069 52.269 1.00 16.63 C ATOM 90 O ASN A 10 13.748 48.629 52.995 1.00 15.72 O ATOM 91 CB ASN A 10 11.138 47.658 53.403 1.00 15.09 C ATOM 92 CG ASN A 10 11.026 48.615 54.570 1.00 17.35 C ATOM 93 OD1 ASN A 10 11.158 49.832 54.421 1.00 19.77 O ATOM 94 ND2 ASN A 10 10.758 48.069 55.754 1.00 18.08 N ATOM 95 HD22 ASN A 10 10.654 47.038 55.839 1.00 0.00 H ATOM 96 HD21 ASN A 10 10.653 48.674 56.594 1.00 0.00 H ATOM 97 H ASN A 10 12.014 46.406 51.278 1.00 0.00 H ATOM 98 N GLU A 11 13.053 50.184 51.563 1.00 15.07 N ATOM 99 CA GLU A 11 14.327 50.867 51.554 1.00 13.74 C ATOM 100 C GLU A 11 14.709 51.409 52.921 1.00 13.27 C ATOM 101 O GLU A 11 15.894 51.472 53.249 1.00 15.38 O ATOM 102 CB GLU A 11 14.294 52.009 50.528 1.00 15.26 C ATOM 103 CG GLU A 11 15.642 52.650 50.362 1.00 16.99 C ATOM 104 CD GLU A 11 15.732 53.535 49.121 1.00 18.88 C ATOM 105 OE1 GLU A 11 14.697 53.810 48.491 1.00 21.93 O ATOM 106 OE2 GLU A 11 16.855 53.930 48.778 1.00 19.84 O ATOM 107 H GLU A 11 12.262 50.570 51.009 1.00 0.00 H ATOM 108 N ALA A 12 13.730 51.818 53.723 1.00 16.18 N ATOM 109 CA ALA A 12 14.031 52.368 55.054 1.00 19.55 C ATOM 110 C ALA A 12 14.433 51.292 56.058 1.00 18.93 C ATOM 111 O ALA A 12 15.008 51.581 57.115 1.00 23.99 O ATOM 112 CB ALA A 12 12.843 53.149 55.592 1.00 20.72 C ATOM 113 H ALA A 12 12.742 51.748 53.406 1.00 0.00 H ATOM 114 N GLY A 13 14.122 50.055 55.710 1.00 15.10 N ATOM 115 CA GLY A 13 14.409 48.939 56.601 1.00 15.94 C ATOM 116 C GLY A 13 13.322 48.673 57.620 1.00 16.68 C ATOM 117 O GLY A 13 12.442 49.506 57.877 1.00 17.44 O ATOM 118 H GLY A 13 13.668 49.877 54.791 1.00 0.00 H ATOM 119 N GLN A 14 13.444 47.518 58.268 1.00 14.62 N ATOM 120 CA GLN A 14 12.470 47.071 59.231 1.00 14.20 C ATOM 121 C GLN A 14 13.029 47.279 60.625 1.00 15.11 C ATOM 122 O GLN A 14 14.018 46.636 61.006 1.00 14.47 O ATOM 123 CB GLN A 14 12.191 45.593 58.973 1.00 16.35 C ATOM 124 CG GLN A 14 11.232 44.981 59.964 1.00 18.89 C ATOM 125 CD GLN A 14 9.873 45.622 59.885 1.00 18.83 C ATOM 126 OE1 GLN A 14 9.239 45.651 58.822 1.00 21.40 O ATOM 127 NE2 GLN A 14 9.430 46.182 60.998 1.00 21.29 N ATOM 128 HE22 GLN A 14 9.998 46.132 61.867 1.00 0.00 H ATOM 129 HE21 GLN A 14 8.513 46.673 61.004 1.00 0.00 H ATOM 130 H GLN A 14 14.270 46.917 58.073 1.00 0.00 H ATOM 131 N VAL A 15 12.428 48.181 61.388 1.00 14.68 N ATOM 132 CA VAL A 15 12.861 48.354 62.771 1.00 16.74 C ATOM 133 C VAL A 15 12.385 47.151 63.577 1.00 17.19 C ATOM 134 O VAL A 15 11.295 46.609 63.341 1.00 20.96 O ATOM 135 CB VAL A 15 12.345 49.692 63.361 1.00 19.77 C ATOM 136 CG1 VAL A 15 12.990 49.983 64.706 1.00 22.02 C ATOM 137 CG2 VAL A 15 12.635 50.841 62.398 1.00 27.31 C ATOM 138 H VAL A 15 11.654 48.761 61.004 1.00 0.00 H ATOM 139 N THR A 16 13.241 46.677 64.470 1.00 15.76 N ATOM 140 CA THR A 16 12.871 45.576 65.362 1.00 16.07 C ATOM 141 C THR A 16 12.678 46.124 66.769 1.00 18.01 C ATOM 142 O THR A 16 12.899 47.311 67.007 1.00 18.48 O ATOM 143 CB THR A 16 13.957 44.508 65.386 1.00 15.47 C ATOM 144 OG1 THR A 16 15.079 45.008 66.114 1.00 15.25 O ATOM 145 CG2 THR A 16 14.404 44.153 63.953 1.00 15.17 C ATOM 146 HG1 THR A 16 15.421 45.825 65.671 1.00 0.00 H ATOM 147 H THR A 16 14.191 47.094 64.539 1.00 0.00 H ATOM 148 N SER A 17 12.310 45.241 67.697 1.00 17.09 N ATOM 149 CA SER A 17 12.110 45.629 69.084 1.00 19.08 C ATOM 150 C SER A 17 13.407 45.489 69.863 1.00 19.26 C ATOM 151 O SER A 17 13.424 45.700 71.076 1.00 20.53 O ATOM 152 CB SER A 17 11.043 44.729 69.717 1.00 18.80 C ATOM 153 OG SER A 17 11.461 43.367 69.721 1.00 21.99 O ATOM 154 HG SER A 17 10.756 42.808 70.134 1.00 0.00 H ATOM 155 H SER A 17 12.162 44.249 67.422 1.00 0.00 H ATOM 156 N ILE A 18 14.490 45.107 69.202 1.00 16.38 N ATOM 157 CA ILE A 18 15.753 44.819 69.870 1.00 15.04 C ATOM 158 C ILE A 18 16.589 46.075 69.951 1.00 16.27 C ATOM 159 O ILE A 18 16.854 46.715 68.921 1.00 15.66 O ATOM 160 CB ILE A 18 16.588 43.747 69.115 1.00 16.42 C ATOM 161 CG1 ILE A 18 15.744 42.517 68.790 1.00 17.35 C ATOM 162 CG2 ILE A 18 17.820 43.364 69.947 1.00 19.63 C ATOM 163 CD1 ILE A 18 15.421 41.681 70.007 1.00 23.30 C ATOM 164 H ILE A 18 14.437 45.009 68.168 1.00 0.00 H ATOM 165 N ILE A 19 16.945 46.477 71.171 1.00 16.49 N ATOM 166 CA ILE A 19 17.912 47.517 71.367 1.00 16.70 C ATOM 167 C ILE A 19 19.204 46.866 71.768 1.00 15.56 C ATOM 168 O ILE A 19 19.273 46.229 72.835 1.00 16.13 O ATOM 169 CB ILE A 19 17.476 48.494 72.476 1.00 18.23 C ATOM 170 CG1 ILE A 19 16.049 48.964 72.217 1.00 21.70 C ATOM 171 CG2 ILE A 19 18.465 49.639 72.567 1.00 20.32 C ATOM 172 CD1 ILE A 19 15.891 49.767 70.969 1.00 26.82 C ATOM 173 H ILE A 19 16.511 46.025 72.001 1.00 0.00 H ATOM 174 N TYR A 20 20.239 46.987 70.963 1.00 15.13 N ATOM 175 CA TYR A 20 21.536 46.415 71.283 1.00 14.88 C ATOM 176 C TYR A 20 22.251 47.334 72.256 1.00 14.58 C ATOM 177 O TYR A 20 22.500 48.509 71.930 1.00 16.07 O ATOM 178 CB TYR A 20 22.387 46.208 69.986 1.00 15.04 C ATOM 179 CG TYR A 20 23.695 45.547 70.319 1.00 14.16 C ATOM 180 CD1 TYR A 20 24.764 46.283 70.797 1.00 16.15 C ATOM 181 CD2 TYR A 20 23.826 44.155 70.273 1.00 15.41 C ATOM 182 CE1 TYR A 20 25.938 45.681 71.205 1.00 15.95 C ATOM 183 CE2 TYR A 20 25.003 43.544 70.653 1.00 14.06 C ATOM 184 CZ TYR A 20 26.050 44.301 71.136 1.00 15.12 C ATOM 185 OH TYR A 20 27.216 43.699 71.533 1.00 16.64 O ATOM 186 HH TYR A 20 27.025 43.064 72.268 1.00 0.00 H ATOM 187 H TYR A 20 20.125 47.508 70.070 1.00 0.00 H ATOM 188 N ASN A 21 22.583 46.799 73.431 1.00 13.64 N ATOM 189 CA ASN A 21 23.270 47.562 74.460 1.00 14.93 C ATOM 190 C ASN A 21 24.684 47.043 74.638 1.00 15.14 C ATOM 191 O ASN A 21 24.959 45.881 74.345 1.00 16.02 O ATOM 192 CB ASN A 21 22.510 47.438 75.781 1.00 15.22 C ATOM 193 CG ASN A 21 21.107 47.939 75.680 1.00 15.29 C ATOM 194 OD1 ASN A 21 20.883 49.072 75.222 1.00 18.55 O ATOM 195 ND2 ASN A 21 20.133 47.113 76.064 1.00 15.42 N ATOM 196 HD22 ASN A 21 20.367 46.173 76.442 1.00 0.00 H ATOM 197 HD21 ASN A 21 19.139 47.409 75.986 1.00 0.00 H ATOM 198 H ASN A 21 22.343 45.804 73.617 1.00 0.00 H ATOM 199 N PRO A 22 25.597 47.897 75.120 1.00 15.98 N ATOM 200 CA PRO A 22 26.981 47.481 75.337 1.00 16.85 C ATOM 201 C PRO A 22 27.056 46.175 76.131 1.00 16.87 C ATOM 202 O PRO A 22 26.390 46.019 77.170 1.00 16.96 O ATOM 203 CB PRO A 22 27.554 48.646 76.152 1.00 19.21 C ATOM 204 CG PRO A 22 26.826 49.821 75.570 1.00 20.83 C ATOM 205 CD PRO A 22 25.408 49.333 75.422 1.00 18.58 C ATOM 206 N GLY A 23 27.852 45.243 75.615 1.00 18.27 N ATOM 207 CA GLY A 23 28.031 43.942 76.225 1.00 18.28 C ATOM 208 C GLY A 23 27.044 42.885 75.777 1.00 16.27 C ATOM 209 O GLY A 23 27.217 41.714 76.117 1.00 17.64 O ATOM 210 H GLY A 23 28.367 45.457 74.737 1.00 0.00 H ATOM 211 N ASP A 24 26.002 43.274 75.047 1.00 15.01 N ATOM 212 CA ASP A 24 25.011 42.280 74.641 1.00 14.98 C ATOM 213 C ASP A 24 25.603 41.250 73.683 1.00 14.54 C ATOM 214 O ASP A 24 26.474 41.551 72.866 1.00 15.62 O ATOM 215 CB ASP A 24 23.805 42.909 73.951 1.00 13.95 C ATOM 216 CG ASP A 24 22.821 43.559 74.918 1.00 13.61 C ATOM 217 OD1 ASP A 24 22.891 43.322 76.154 1.00 15.08 O ATOM 218 OD2 ASP A 24 21.894 44.231 74.435 1.00 13.89 O ATOM 219 H ASP A 24 25.894 44.271 74.770 1.00 0.00 H ATOM 220 N VAL A 25 25.115 40.032 73.797 1.00 12.99 N ATOM 221 CA VAL A 25 25.426 38.964 72.838 1.00 14.53 C ATOM 222 C VAL A 25 24.109 38.642 72.158 1.00 13.35 C ATOM 223 O VAL A 25 23.085 38.479 72.823 1.00 13.95 O ATOM 224 CB VAL A 25 25.932 37.716 73.580 1.00 13.54 C ATOM 225 CG1 VAL A 25 26.236 36.585 72.577 1.00 16.05 C ATOM 226 CG2 VAL A 25 27.180 38.062 74.407 1.00 15.51 C ATOM 227 H VAL A 25 24.485 39.818 74.597 1.00 0.00 H ATOM 228 N ILE A 26 24.100 38.585 70.813 1.00 13.23 N ATOM 229 CA ILE A 26 22.853 38.309 70.105 1.00 13.15 C ATOM 230 C ILE A 26 23.011 37.196 69.089 1.00 11.21 C ATOM 231 O ILE A 26 24.126 36.903 68.636 1.00 13.49 O ATOM 232 CB ILE A 26 22.291 39.557 69.409 1.00 14.04 C ATOM 233 CG1 ILE A 26 23.268 40.073 68.345 1.00 14.57 C ATOM 234 CG2 ILE A 26 22.013 40.661 70.432 1.00 14.14 C ATOM 235 CD1 ILE A 26 22.670 41.142 67.424 1.00 15.34 C ATOM 236 H ILE A 26 24.979 38.737 70.279 1.00 0.00 H ATOM 237 N THR A 27 21.884 36.566 68.804 1.00 10.87 N ATOM 238 CA THR A 27 21.814 35.586 67.714 1.00 11.33 C ATOM 239 C THR A 27 20.696 35.995 66.789 1.00 11.59 C ATOM 240 O THR A 27 19.615 36.403 67.196 1.00 11.95 O ATOM 241 CB THR A 27 21.637 34.156 68.260 1.00 13.48 C ATOM 242 OG1 THR A 27 22.852 33.768 68.924 1.00 14.47 O ATOM 243 CG2 THR A 27 21.328 33.130 67.146 1.00 14.92 C ATOM 244 HG1 THR A 27 23.034 34.395 69.669 1.00 0.00 H ATOM 245 H THR A 27 21.031 36.769 69.363 1.00 0.00 H ATOM 246 N ILE A 28 20.985 35.860 65.486 1.00 10.63 N ATOM 247 CA ILE A 28 20.028 36.144 64.409 1.00 11.32 C ATOM 248 C ILE A 28 20.023 34.955 63.481 1.00 10.36 C ATOM 249 O ILE A 28 21.083 34.412 63.154 1.00 11.06 O ATOM 250 CB ILE A 28 20.453 37.404 63.603 1.00 11.74 C ATOM 251 CG1 ILE A 28 20.652 38.611 64.539 1.00 12.23 C ATOM 252 CG2 ILE A 28 19.423 37.746 62.511 1.00 13.06 C ATOM 253 CD1 ILE A 28 20.904 39.954 63.787 1.00 15.70 C ATOM 254 H ILE A 28 21.938 35.537 65.224 1.00 0.00 H ATOM 255 N VAL A 29 18.835 34.499 63.115 1.00 10.96 N ATOM 256 CA VAL A 29 18.703 33.523 62.019 1.00 10.97 C ATOM 257 C VAL A 29 17.728 34.105 61.002 1.00 10.65 C ATOM 258 O VAL A 29 16.625 34.514 61.359 1.00 11.98 O ATOM 259 CB VAL A 29 18.156 32.172 62.523 1.00 11.59 C ATOM 260 CG1 VAL A 29 17.988 31.179 61.392 1.00 14.79 C ATOM 261 CG2 VAL A 29 19.064 31.578 63.601 1.00 14.01 C ATOM 262 H VAL A 29 17.983 34.834 63.608 1.00 0.00 H ATOM 263 N ALA A 30 18.116 34.090 59.728 1.00 10.61 N ATOM 264 CA ALA A 30 17.295 34.653 58.637 1.00 9.40 C ATOM 265 C ALA A 30 17.040 33.592 57.606 1.00 10.40 C ATOM 266 O ALA A 30 17.947 32.842 57.276 1.00 11.65 O ATOM 267 CB ALA A 30 18.016 35.810 57.992 1.00 11.56 C ATOM 268 H ALA A 30 19.035 33.664 59.492 1.00 0.00 H ATOM 269 N ALA A 31 15.833 33.588 57.060 1.00 10.64 N ATOM 270 CA ALA A 31 15.491 32.612 56.041 1.00 11.38 C ATOM 271 C ALA A 31 14.595 33.236 55.003 1.00 10.73 C ATOM 272 O ALA A 31 13.968 34.255 55.247 1.00 12.92 O ATOM 273 CB ALA A 31 14.774 31.418 56.680 1.00 13.27 C ATOM 274 H ALA A 31 15.126 34.288 57.363 1.00 0.00 H ATOM 275 N GLY A 32 14.516 32.601 53.851 1.00 11.32 N ATOM 276 CA GLY A 32 13.555 33.001 52.825 1.00 11.44 C ATOM 277 C GLY A 32 14.180 33.393 51.507 1.00 11.26 C ATOM 278 O GLY A 32 15.367 33.191 51.261 1.00 10.95 O ATOM 279 H GLY A 32 15.151 31.798 53.668 1.00 0.00 H ATOM 280 N TRP A 33 13.354 33.992 50.656 1.00 10.96 N ATOM 281 CA TRP A 33 13.694 34.216 49.261 1.00 11.44 C ATOM 282 C TRP A 33 13.269 35.607 48.833 1.00 11.74 C ATOM 283 O TRP A 33 12.122 35.999 49.063 1.00 12.79 O ATOM 284 CB TRP A 33 12.985 33.167 48.388 1.00 13.37 C ATOM 285 CG TRP A 33 13.369 31.753 48.666 1.00 12.61 C ATOM 286 CD1 TRP A 33 12.630 30.833 49.356 1.00 15.47 C ATOM 287 CD2 TRP A 33 14.597 31.130 48.346 1.00 13.43 C ATOM 288 NE1 TRP A 33 13.314 29.652 49.445 1.00 15.07 N ATOM 289 CE2 TRP A 33 14.540 29.812 48.861 1.00 12.90 C ATOM 290 CE3 TRP A 33 15.756 31.549 47.703 1.00 14.34 C ATOM 291 CZ2 TRP A 33 15.566 28.894 48.681 1.00 15.56 C ATOM 292 CZ3 TRP A 33 16.801 30.635 47.545 1.00 18.61 C ATOM 293 CH2 TRP A 33 16.697 29.323 48.058 1.00 15.37 C ATOM 294 HE1 TRP A 33 12.961 28.778 49.884 1.00 0.00 H ATOM 295 H TRP A 33 12.427 34.313 51.002 1.00 0.00 H ATOM 296 N ALA A 34 14.175 36.301 48.161 1.00 12.21 N ATOM 297 CA ALA A 34 13.888 37.666 47.736 1.00 12.00 C ATOM 298 C ALA A 34 14.674 38.001 46.495 1.00 11.65 C ATOM 299 O ALA A 34 15.624 37.299 46.114 1.00 12.02 O ATOM 300 CB ALA A 34 14.243 38.626 48.855 1.00 12.78 C ATOM 301 H ALA A 34 15.095 35.871 47.936 1.00 0.00 H ATOM 302 N SER A 35 14.291 39.105 45.857 1.00 12.97 N ATOM 303 CA SER A 35 14.956 39.536 44.638 1.00 13.92 C ATOM 304 C SER A 35 15.121 41.026 44.623 1.00 12.68 C ATOM 305 O SER A 35 14.292 41.760 45.140 1.00 12.66 O ATOM 306 CB SER A 35 14.155 39.132 43.414 1.00 12.82 C ATOM 307 OG SER A 35 14.776 39.719 42.262 1.00 14.32 O ATOM 308 HG SER A 35 14.268 39.467 41.450 1.00 0.00 H ATOM 309 H SER A 35 13.503 39.668 46.237 1.00 0.00 H ATOM 310 N TYR A 36 16.225 41.456 44.015 1.00 13.92 N ATOM 311 CA TYR A 36 16.489 42.879 43.826 1.00 12.89 C ATOM 312 C TYR A 36 15.999 43.334 42.445 1.00 12.89 C ATOM 313 O TYR A 36 16.273 44.455 42.043 1.00 13.53 O ATOM 314 CB TYR A 36 17.991 43.147 43.968 1.00 12.95 C ATOM 315 CG TYR A 36 18.850 42.301 43.064 1.00 13.68 C ATOM 316 CD1 TYR A 36 19.266 41.016 43.421 1.00 14.24 C ATOM 317 CD2 TYR A 36 19.234 42.784 41.810 1.00 14.90 C ATOM 318 CE1 TYR A 36 20.050 40.256 42.582 1.00 14.39 C ATOM 319 CE2 TYR A 36 19.998 42.030 40.962 1.00 14.98 C ATOM 320 CZ TYR A 36 20.408 40.763 41.329 1.00 14.67 C ATOM 321 OH TYR A 36 21.177 40.000 40.492 1.00 16.19 O ATOM 322 HH TYR A 36 21.370 39.130 40.924 1.00 0.00 H ATOM 323 H TYR A 36 16.916 40.761 43.666 1.00 0.00 H ATOM 324 N GLY A 37 15.268 42.493 41.741 1.00 12.79 N ATOM 325 CA GLY A 37 14.728 42.916 40.437 1.00 12.80 C ATOM 326 C GLY A 37 14.445 41.752 39.520 1.00 15.00 C ATOM 327 O GLY A 37 13.348 41.655 38.956 1.00 18.23 O ATOM 328 H GLY A 37 15.074 41.538 42.103 1.00 0.00 H ATOM 329 N PRO A 38 15.419 40.855 39.328 1.00 14.17 N ATOM 330 CA PRO A 38 15.205 39.717 38.432 1.00 15.77 C ATOM 331 C PRO A 38 14.089 38.792 38.860 1.00 19.23 C ATOM 332 O PRO A 38 13.650 38.843 40.015 1.00 18.39 O ATOM 333 CB PRO A 38 16.554 38.992 38.455 1.00 18.49 C ATOM 334 CG PRO A 38 17.531 40.063 38.748 1.00 17.89 C ATOM 335 CD PRO A 38 16.833 40.987 39.713 1.00 16.14 C ATOM 336 N THR A 39 13.647 37.939 37.943 1.00 19.01 N ATOM 337 CA THR A 39 12.604 36.978 38.245 1.00 19.47 C ATOM 338 C THR A 39 13.101 35.914 39.233 1.00 20.88 C ATOM 339 O THR A 39 12.327 35.398 40.028 1.00 25.51 O ATOM 340 CB THR A 39 12.042 36.329 36.961 1.00 24.96 C ATOM 341 OG1 THR A 39 13.090 35.651 36.263 1.00 37.54 O ATOM 342 CG2 THR A 39 11.472 37.409 36.068 1.00 28.06 C ATOM 343 HG1 THR A 39 13.797 36.300 36.020 1.00 0.00 H ATOM 344 H THR A 39 14.058 37.961 36.988 1.00 0.00 H ATOM 345 N GLN A 40 14.392 35.603 39.168 1.00 17.34 N ATOM 346 CA GLN A 40 15.012 34.681 40.128 1.00 15.59 C ATOM 347 C GLN A 40 14.938 35.271 41.541 1.00 13.85 C ATOM 348 O GLN A 40 14.773 36.468 41.715 1.00 15.40 O ATOM 349 CB GLN A 40 16.476 34.459 39.713 1.00 18.02 C ATOM 350 CG GLN A 40 17.304 33.487 40.547 1.00 28.63 C ATOM 351 CD GLN A 40 18.667 33.183 39.907 1.00 38.61 C ATOM 352 OE1 GLN A 40 19.041 33.787 38.894 1.00 38.11 O ATOM 353 NE2 GLN A 40 19.404 32.239 40.489 1.00 34.33 N ATOM 354 HE22 GLN A 40 19.052 31.755 41.340 1.00 0.00 H ATOM 355 HE21 GLN A 40 20.331 31.985 40.093 1.00 0.00 H ATOM 356 H GLN A 40 14.978 36.023 38.418 1.00 0.00 H ATOM 357 N LYS A 41 15.057 34.415 42.564 1.00 13.23 N ATOM 358 CA LYS A 41 15.186 34.860 43.944 1.00 12.58 C ATOM 359 C LYS A 41 16.406 34.225 44.536 1.00 13.00 C ATOM 360 O LYS A 41 16.853 33.169 44.105 1.00 13.12 O ATOM 361 CB LYS A 41 13.926 34.542 44.742 1.00 15.10 C ATOM 362 CG LYS A 41 12.753 35.497 44.398 1.00 16.72 C ATOM 363 CD LYS A 41 11.548 35.294 45.306 1.00 19.95 C ATOM 364 CE LYS A 41 10.550 36.440 45.121 1.00 21.18 C ATOM 365 NZ LYS A 41 10.001 36.498 43.753 1.00 26.54 N ATOM 366 HZ1 LYS A 41 10.777 36.637 43.075 1.00 0.00 H ATOM 367 HZ2 LYS A 41 9.508 35.607 43.540 1.00 0.00 H ATOM 368 HZ3 LYS A 41 9.332 37.291 43.683 1.00 0.00 H ATOM 369 H LYS A 41 15.057 33.394 42.365 1.00 0.00 H ATOM 370 N TRP A 42 16.918 34.925 45.540 1.00 11.50 N ATOM 371 CA TRP A 42 18.126 34.511 46.289 1.00 10.99 C ATOM 372 C TRP A 42 17.804 34.496 47.767 1.00 9.94 C ATOM 373 O TRP A 42 16.868 35.154 48.217 1.00 11.21 O ATOM 374 CB TRP A 42 19.294 35.490 46.055 1.00 10.86 C ATOM 375 CG TRP A 42 19.789 35.454 44.620 1.00 11.17 C ATOM 376 CD1 TRP A 42 20.834 34.724 44.153 1.00 11.34 C ATOM 377 CD2 TRP A 42 19.232 36.142 43.482 1.00 13.13 C ATOM 378 NE1 TRP A 42 20.973 34.911 42.787 1.00 12.96 N ATOM 379 CE2 TRP A 42 20.005 35.781 42.367 1.00 13.20 C ATOM 380 CE3 TRP A 42 18.169 37.039 43.317 1.00 12.37 C ATOM 381 CZ2 TRP A 42 19.761 36.285 41.091 1.00 13.97 C ATOM 382 CZ3 TRP A 42 17.927 37.537 42.039 1.00 13.98 C ATOM 383 CH2 TRP A 42 18.718 37.150 40.958 1.00 17.08 C ATOM 384 HE1 TRP A 42 21.692 34.465 42.183 1.00 0.00 H ATOM 385 H TRP A 42 16.446 35.810 45.815 1.00 0.00 H ATOM 386 N GLY A 43 18.580 33.711 48.512 1.00 10.13 N ATOM 387 CA GLY A 43 18.497 33.674 49.966 1.00 10.27 C ATOM 388 C GLY A 43 19.186 34.853 50.610 1.00 10.75 C ATOM 389 O GLY A 43 19.595 35.812 49.940 1.00 11.40 O ATOM 390 H GLY A 43 19.274 33.099 48.036 1.00 0.00 H ATOM 391 N PRO A 44 19.297 34.817 51.943 1.00 10.77 N ATOM 392 CA PRO A 44 19.812 35.980 52.686 1.00 10.67 C ATOM 393 C PRO A 44 21.290 36.316 52.508 1.00 9.98 C ATOM 394 O PRO A 44 21.700 37.374 52.998 1.00 10.50 O ATOM 395 CB PRO A 44 19.445 35.706 54.149 1.00 12.61 C ATOM 396 CG PRO A 44 19.019 34.341 54.221 1.00 14.12 C ATOM 397 CD PRO A 44 18.743 33.772 52.829 1.00 10.21 C ATOM 398 N GLN A 45 22.047 35.476 51.811 1.00 10.12 N ATOM 399 CA GLN A 45 23.404 35.858 51.414 1.00 10.47 C ATOM 400 C GLN A 45 23.414 36.605 50.073 1.00 11.90 C ATOM 401 O GLN A 45 24.454 37.114 49.677 1.00 11.88 O ATOM 402 CB GLN A 45 24.319 34.636 51.261 1.00 11.05 C ATOM 403 CG GLN A 45 24.372 33.847 52.564 1.00 10.79 C ATOM 404 CD GLN A 45 25.254 32.609 52.475 1.00 11.02 C ATOM 405 OE1 GLN A 45 26.067 32.360 53.350 1.00 14.00 O ATOM 406 NE2 GLN A 45 25.097 31.818 51.425 1.00 12.72 N ATOM 407 HE22 GLN A 45 24.396 32.056 50.695 1.00 0.00 H ATOM 408 HE21 GLN A 45 25.675 30.959 51.330 1.00 0.00 H ATOM 409 H GLN A 45 21.674 34.542 51.546 1.00 0.00 H ATOM 410 N GLY A 46 22.262 36.703 49.409 1.00 10.34 N ATOM 411 CA GLY A 46 22.160 37.443 48.159 1.00 10.62 C ATOM 412 C GLY A 46 22.774 36.722 46.990 1.00 10.70 C ATOM 413 O GLY A 46 22.911 35.495 46.951 1.00 11.00 O ATOM 414 H GLY A 46 21.414 36.239 49.794 1.00 0.00 H ATOM 415 N ASP A 47 23.120 37.533 45.981 1.00 10.77 N ATOM 416 CA ASP A 47 23.566 37.042 44.665 1.00 12.35 C ATOM 417 C ASP A 47 25.063 37.217 44.503 1.00 12.75 C ATOM 418 O ASP A 47 25.544 38.337 44.278 1.00 13.95 O ATOM 419 CB ASP A 47 22.810 37.784 43.554 1.00 13.60 C ATOM 420 CG ASP A 47 23.219 37.353 42.156 1.00 14.78 C ATOM 421 OD1 ASP A 47 24.071 36.459 42.004 1.00 14.52 O ATOM 422 OD2 ASP A 47 22.653 37.919 41.196 1.00 15.45 O ATOM 423 H ASP A 47 23.071 38.560 46.134 1.00 0.00 H ATOM 424 N ARG A 48 25.801 36.121 44.612 1.00 12.75 N ATOM 425 CA ARG A 48 27.272 36.178 44.607 1.00 13.68 C ATOM 426 C ARG A 48 27.848 36.525 43.240 1.00 18.20 C ATOM 427 O ARG A 48 29.049 36.784 43.137 1.00 19.49 O ATOM 428 CB ARG A 48 27.830 34.830 45.076 1.00 15.00 C ATOM 429 CG ARG A 48 27.527 33.674 44.132 1.00 15.88 C ATOM 430 CD ARG A 48 27.741 32.332 44.805 1.00 17.65 C ATOM 431 NE ARG A 48 29.141 32.090 45.141 1.00 22.40 N ATOM 432 CZ ARG A 48 30.000 31.445 44.356 1.00 28.87 C ATOM 433 NH1 ARG A 48 29.614 30.992 43.168 1.00 25.30 N ATOM 434 NH2 ARG A 48 31.247 31.249 44.765 1.00 27.95 N ATOM 435 HE ARG A 48 29.490 32.445 46.054 1.00 0.00 H ATOM 436 HH12 ARG A 48 30.290 30.489 42.559 1.00 0.00 H ATOM 437 HH11 ARG A 48 28.636 31.141 42.847 1.00 0.00 H ATOM 438 HH22 ARG A 48 31.921 30.745 44.154 1.00 0.00 H ATOM 439 HH21 ARG A 48 31.550 31.599 45.696 1.00 0.00 H ATOM 440 H ARG A 48 25.329 35.199 44.703 1.00 0.00 H ATOM 441 N GLU A 49 27.007 36.523 42.216 1.00 15.01 N ATOM 442 CA GLU A 49 27.470 36.805 40.856 1.00 15.59 C ATOM 443 C GLU A 49 27.203 38.221 40.392 1.00 16.36 C ATOM 444 O GLU A 49 27.645 38.602 39.301 1.00 18.49 O ATOM 445 CB GLU A 49 26.836 35.813 39.885 1.00 17.50 C ATOM 446 CG GLU A 49 27.230 34.366 40.175 1.00 20.85 C ATOM 447 CD GLU A 49 26.869 33.386 39.078 1.00 44.26 C ATOM 448 OE1 GLU A 49 26.241 33.798 38.081 1.00 55.14 O ATOM 449 OE2 GLU A 49 27.219 32.193 39.223 1.00 45.74 O ATOM 450 H GLU A 49 26.001 36.318 42.381 1.00 0.00 H ATOM 451 N HIS A 50 26.466 39.007 41.159 1.00 15.33 N ATOM 452 CA HIS A 50 26.087 40.341 40.745 1.00 14.90 C ATOM 453 C HIS A 50 27.066 41.410 41.232 1.00 15.86 C ATOM 454 O HIS A 50 27.407 41.442 42.405 1.00 16.23 O ATOM 455 CB HIS A 50 24.683 40.627 41.266 1.00 16.94 C ATOM 456 CG HIS A 50 24.080 41.882 40.726 1.00 15.80 C ATOM 457 ND1 HIS A 50 23.782 42.034 39.389 1.00 20.23 N ATOM 458 CD2 HIS A 50 23.729 43.037 41.327 1.00 16.53 C ATOM 459 CE1 HIS A 50 23.261 43.233 39.196 1.00 19.99 C ATOM 460 NE2 HIS A 50 23.214 43.862 40.353 1.00 18.18 N ATOM 461 H HIS A 50 26.150 38.657 42.086 1.00 0.00 H ATOM 462 N PRO A 51 27.526 42.301 40.336 1.00 16.28 N ATOM 463 CA PRO A 51 28.461 43.338 40.783 1.00 14.83 C ATOM 464 C PRO A 51 27.805 44.311 41.746 1.00 15.42 C ATOM 465 O PRO A 51 26.606 44.561 41.626 1.00 18.19 O ATOM 466 CB PRO A 51 28.837 44.060 39.472 1.00 18.47 C ATOM 467 CG PRO A 51 27.702 43.759 38.553 1.00 26.02 C ATOM 468 CD PRO A 51 27.285 42.363 38.881 1.00 17.21 C ATOM 469 N ASP A 52 28.587 44.848 42.683 1.00 14.66 N ATOM 470 CA ASP A 52 28.161 45.921 43.561 1.00 14.75 C ATOM 471 C ASP A 52 28.156 47.212 42.753 1.00 16.96 C ATOM 472 O ASP A 52 29.203 47.643 42.269 1.00 18.00 O ATOM 473 CB ASP A 52 29.169 45.994 44.697 1.00 15.22 C ATOM 474 CG ASP A 52 28.881 47.085 45.690 1.00 14.47 C ATOM 475 OD1 ASP A 52 28.050 47.975 45.462 1.00 14.76 O ATOM 476 OD2 ASP A 52 29.497 47.040 46.778 1.00 16.73 O ATOM 477 H ASP A 52 29.553 44.478 42.790 1.00 0.00 H ATOM 478 N GLN A 53 26.975 47.789 42.596 1.00 14.15 N ATOM 479 CA GLN A 53 26.787 49.042 41.831 1.00 15.70 C ATOM 480 C GLN A 53 26.383 50.199 42.730 1.00 16.18 C ATOM 481 O GLN A 53 25.706 51.150 42.299 1.00 16.55 O ATOM 482 CB GLN A 53 25.747 48.842 40.731 1.00 17.97 C ATOM 483 CG GLN A 53 26.096 47.687 39.836 1.00 18.97 C ATOM 484 CD GLN A 53 25.123 47.506 38.690 1.00 27.30 C ATOM 485 OE1 GLN A 53 25.538 47.396 37.533 1.00 33.02 O ATOM 486 NE2 GLN A 53 23.827 47.483 38.991 1.00 20.95 N ATOM 487 HE22 GLN A 53 23.521 47.579 39.980 1.00 0.00 H ATOM 488 HE21 GLN A 53 23.120 47.369 38.237 1.00 0.00 H ATOM 489 H GLN A 53 26.142 47.342 43.030 1.00 0.00 H ATOM 490 N GLY A 54 26.794 50.135 43.994 1.00 13.68 N ATOM 491 CA GLY A 54 26.497 51.185 44.929 1.00 14.00 C ATOM 492 C GLY A 54 25.589 50.730 46.080 1.00 12.66 C ATOM 493 O GLY A 54 24.732 51.458 46.528 1.00 14.94 O ATOM 494 H GLY A 54 27.341 49.309 44.311 1.00 0.00 H ATOM 495 N LEU A 55 25.809 49.499 46.555 1.00 13.31 N ATOM 496 CA LEU A 55 24.970 48.893 47.594 1.00 13.04 C ATOM 497 C LEU A 55 25.092 49.645 48.894 1.00 13.68 C ATOM 498 O LEU A 55 26.131 50.241 49.201 1.00 14.32 O ATOM 499 CB LEU A 55 25.446 47.459 47.796 1.00 14.75 C ATOM 500 CG LEU A 55 25.193 46.569 46.600 1.00 13.38 C ATOM 501 CD1 LEU A 55 25.932 45.250 46.755 1.00 15.14 C ATOM 502 CD2 LEU A 55 23.714 46.340 46.426 1.00 13.75 C ATOM 503 H LEU A 55 26.606 48.951 46.173 1.00 0.00 H ATOM 504 N ILE A 56 24.044 49.569 49.721 1.00 13.29 N ATOM 505 CA ILE A 56 24.110 50.173 51.048 1.00 14.40 C ATOM 506 C ILE A 56 25.139 49.499 51.956 1.00 13.03 C ATOM 507 O ILE A 56 25.559 50.099 52.923 1.00 14.83 O ATOM 508 CB ILE A 56 22.727 50.232 51.761 1.00 15.47 C ATOM 509 CG1 ILE A 56 22.132 48.835 51.994 1.00 14.73 C ATOM 510 CG2 ILE A 56 21.753 51.189 51.031 1.00 15.97 C ATOM 511 CD1 ILE A 56 21.043 48.869 53.077 1.00 13.76 C ATOM 512 H ILE A 56 23.179 49.078 49.418 1.00 0.00 H ATOM 513 N CYS A 57 25.502 48.264 51.625 1.00 13.09 N ATOM 514 CA CYS A 57 26.547 47.557 52.349 1.00 13.34 C ATOM 515 C CYS A 57 27.503 46.938 51.358 1.00 13.29 C ATOM 516 O CYS A 57 27.157 46.027 50.635 1.00 14.82 O ATOM 517 CB CYS A 57 25.951 46.448 53.232 1.00 12.51 C ATOM 518 SG CYS A 57 27.189 45.638 54.280 1.00 15.37 S ATOM 519 H CYS A 57 25.027 47.792 50.829 1.00 0.00 H ATOM 520 N HIS A 58 28.743 47.424 51.346 1.00 14.52 N ATOM 521 CA HIS A 58 29.714 46.938 50.377 1.00 15.22 C ATOM 522 C HIS A 58 30.405 45.671 50.843 1.00 17.81 C ATOM 523 O HIS A 58 31.196 45.094 50.110 1.00 19.33 O ATOM 524 CB HIS A 58 30.751 48.041 50.111 1.00 17.46 C ATOM 525 CG HIS A 58 30.153 49.280 49.527 1.00 14.63 C ATOM 526 ND1 HIS A 58 29.571 49.304 48.279 1.00 15.82 N ATOM 527 CD2 HIS A 58 30.013 50.528 50.033 1.00 17.01 C ATOM 528 CE1 HIS A 58 29.104 50.517 48.042 1.00 15.24 C ATOM 529 NE2 HIS A 58 29.373 51.285 49.077 1.00 16.58 N ATOM 530 H HIS A 58 29.019 48.155 52.033 1.00 0.00 H ATOM 531 N ASP A 59 30.071 45.213 52.052 1.00 15.16 N ATOM 532 CA ASP A 59 30.641 43.984 52.627 1.00 16.48 C ATOM 533 C ASP A 59 29.716 42.782 52.504 1.00 15.47 C ATOM 534 O ASP A 59 29.955 41.759 53.145 1.00 16.05 O ATOM 535 CB ASP A 59 30.998 44.208 54.093 1.00 18.43 C ATOM 536 CG ASP A 59 32.148 45.176 54.264 1.00 34.36 C ATOM 537 OD1 ASP A 59 32.970 45.294 53.327 1.00 33.63 O ATOM 538 OD2 ASP A 59 32.223 45.821 55.328 1.00 39.48 O ATOM 539 H ASP A 59 29.377 45.748 52.612 1.00 0.00 H ATOM 540 N ALA A 60 28.647 42.920 51.724 1.00 13.65 N ATOM 541 CA ALA A 60 27.724 41.798 51.476 1.00 11.21 C ATOM 542 C ALA A 60 27.237 41.893 50.046 1.00 12.30 C ATOM 543 O ALA A 60 27.313 42.971 49.432 1.00 13.35 O ATOM 544 CB ALA A 60 26.550 41.860 52.449 1.00 13.53 C ATOM 545 H ALA A 60 28.458 43.841 51.279 1.00 0.00 H ATOM 546 N PHE A 61 26.754 40.795 49.498 1.00 11.71 N ATOM 547 CA PHE A 61 26.298 40.810 48.116 1.00 11.87 C ATOM 548 C PHE A 61 24.966 41.525 47.996 1.00 12.96 C ATOM 549 O PHE A 61 24.226 41.704 48.979 1.00 11.97 O ATOM 550 CB PHE A 61 26.140 39.379 47.619 1.00 11.93 C ATOM 551 CG PHE A 61 27.436 38.626 47.500 1.00 12.89 C ATOM 552 CD1 PHE A 61 28.468 39.132 46.705 1.00 17.31 C ATOM 553 CD2 PHE A 61 27.615 37.403 48.135 1.00 14.69 C ATOM 554 CE1 PHE A 61 29.661 38.424 46.571 1.00 18.27 C ATOM 555 CE2 PHE A 61 28.791 36.693 47.993 1.00 14.96 C ATOM 556 CZ PHE A 61 29.821 37.207 47.239 1.00 18.94 C ATOM 557 H PHE A 61 26.699 39.918 50.054 1.00 0.00 H ATOM 558 N CYS A 62 24.665 41.920 46.761 1.00 12.32 N ATOM 559 CA CYS A 62 23.372 42.448 46.460 1.00 11.61 C ATOM 560 C CYS A 62 22.306 41.393 46.777 1.00 11.36 C ATOM 561 O CYS A 62 22.438 40.236 46.395 1.00 12.09 O ATOM 562 CB CYS A 62 23.347 42.818 44.979 1.00 12.55 C ATOM 563 SG CYS A 62 21.805 43.624 44.449 1.00 14.19 S ATOM 564 H CYS A 62 25.378 41.844 46.008 1.00 0.00 H ATOM 565 N GLY A 63 21.262 41.814 47.497 1.00 11.14 N ATOM 566 CA GLY A 63 20.222 40.879 47.907 1.00 11.38 C ATOM 567 C GLY A 63 20.456 40.193 49.256 1.00 10.90 C ATOM 568 O GLY A 63 19.653 39.341 49.653 1.00 12.32 O ATOM 569 H GLY A 63 21.191 42.816 47.767 1.00 0.00 H ATOM 570 N ALA A 64 21.561 40.523 49.917 1.00 10.68 N ATOM 571 CA ALA A 64 21.832 39.982 51.248 1.00 9.51 C ATOM 572 C ALA A 64 21.061 40.751 52.294 1.00 10.79 C ATOM 573 O ALA A 64 20.682 41.916 52.118 1.00 12.53 O ATOM 574 CB ALA A 64 23.324 40.083 51.543 1.00 11.40 C ATOM 575 H ALA A 64 22.243 41.176 49.481 1.00 0.00 H ATOM 576 N LEU A 65 20.865 40.126 53.450 1.00 10.17 N ATOM 577 CA LEU A 65 20.320 40.819 54.602 1.00 9.79 C ATOM 578 C LEU A 65 21.456 41.530 55.339 1.00 10.33 C ATOM 579 O LEU A 65 22.532 40.955 55.623 1.00 10.88 O ATOM 580 CB LEU A 65 19.678 39.800 55.556 1.00 10.35 C ATOM 581 CG LEU A 65 19.058 40.413 56.807 1.00 10.87 C ATOM 582 CD1 LEU A 65 17.888 41.319 56.419 1.00 12.78 C ATOM 583 CD2 LEU A 65 18.541 39.281 57.711 1.00 12.92 C ATOM 584 H LEU A 65 21.108 39.118 53.531 1.00 0.00 H ATOM 585 N VAL A 66 21.231 42.788 55.676 1.00 10.22 N ATOM 586 CA VAL A 66 22.177 43.553 56.482 1.00 12.02 C ATOM 587 C VAL A 66 21.431 44.254 57.614 1.00 9.58 C ATOM 588 O VAL A 66 20.194 44.168 57.689 1.00 10.94 O ATOM 589 CB VAL A 66 23.013 44.555 55.620 1.00 12.11 C ATOM 590 CG1 VAL A 66 23.669 43.804 54.441 1.00 13.54 C ATOM 591 CG2 VAL A 66 22.134 45.711 55.132 1.00 12.79 C ATOM 592 H VAL A 66 20.354 43.246 55.357 1.00 0.00 H ATOM 593 N MET A 67 22.156 44.951 58.479 1.00 11.99 N ATOM 594 CA MET A 67 21.494 45.673 59.565 1.00 11.35 C ATOM 595 C MET A 67 22.246 46.949 59.881 1.00 11.89 C ATOM 596 O MET A 67 23.422 47.111 59.549 1.00 13.00 O ATOM 597 CB MET A 67 21.404 44.814 60.845 1.00 12.97 C ATOM 598 CG MET A 67 22.752 44.523 61.497 1.00 12.47 C ATOM 599 SD MET A 67 22.559 43.511 62.967 1.00 14.74 S ATOM 600 CE MET A 67 24.264 43.216 63.301 1.00 16.93 C ATOM 601 H MET A 67 23.191 44.984 58.385 1.00 0.00 H ATOM 602 N LYS A 68 21.553 47.818 60.595 1.00 12.35 N ATOM 603 CA LYS A 68 22.205 48.911 61.315 1.00 13.80 C ATOM 604 C LYS A 68 21.838 48.785 62.771 1.00 14.24 C ATOM 605 O LYS A 68 20.749 48.339 63.094 1.00 14.91 O ATOM 606 CB LYS A 68 21.745 50.277 60.810 1.00 15.64 C ATOM 607 CG LYS A 68 22.181 50.574 59.402 1.00 19.58 C ATOM 608 CD LYS A 68 21.657 51.937 58.946 1.00 21.69 C ATOM 609 CE LYS A 68 22.114 52.258 57.539 1.00 31.09 C ATOM 610 NZ LYS A 68 21.739 53.652 57.145 1.00 32.32 N ATOM 611 HZ1 LYS A 68 20.705 53.757 57.188 1.00 0.00 H ATOM 612 HZ2 LYS A 68 22.184 54.327 57.798 1.00 0.00 H ATOM 613 HZ3 LYS A 68 22.068 53.837 56.176 1.00 0.00 H ATOM 614 H LYS A 68 20.519 47.722 60.646 1.00 0.00 H ATOM 615 N ILE A 69 22.747 49.214 63.628 1.00 14.37 N ATOM 616 CA ILE A 69 22.494 49.253 65.073 1.00 14.74 C ATOM 617 C ILE A 69 22.624 50.714 65.465 1.00 14.70 C ATOM 618 O ILE A 69 23.701 51.290 65.354 1.00 17.86 O ATOM 619 CB ILE A 69 23.508 48.386 65.814 1.00 15.18 C ATOM 620 CG1 ILE A 69 23.280 46.911 65.442 1.00 16.51 C ATOM 621 CG2 ILE A 69 23.391 48.579 67.343 1.00 14.48 C ATOM 622 CD1 ILE A 69 24.297 45.956 66.049 1.00 19.53 C ATOM 623 H ILE A 69 23.669 49.533 63.268 1.00 0.00 H ATOM 624 N GLY A 70 21.516 51.290 65.896 1.00 15.54 N ATOM 625 CA GLY A 70 21.457 52.732 66.125 1.00 18.88 C ATOM 626 C GLY A 70 21.807 53.403 64.816 1.00 22.78 C ATOM 627 O GLY A 70 21.263 53.053 63.771 1.00 23.87 O ATOM 628 H GLY A 70 20.673 50.708 66.075 1.00 0.00 H ATOM 629 N ASN A 71 22.734 54.346 64.859 1.00 25.08 N ATOM 630 CA ASN A 71 23.120 55.036 63.633 1.00 26.92 C ATOM 631 C ASN A 71 24.449 54.549 63.075 1.00 28.52 C ATOM 632 O ASN A 71 25.183 55.320 62.460 1.00 30.55 O ATOM 633 CB ASN A 71 23.151 56.551 63.855 1.00 32.62 C ATOM 634 CG ASN A 71 23.975 56.944 65.062 1.00 53.09 C ATOM 635 OD1 ASN A 71 24.802 56.167 65.547 1.00 55.63 O ATOM 636 ND2 ASN A 71 23.750 58.155 65.562 1.00 63.50 N ATOM 637 HD22 ASN A 71 23.043 58.777 65.120 1.00 0.00 H ATOM 638 HD21 ASN A 71 24.281 58.481 66.395 1.00 0.00 H ATOM 639 H ASN A 71 23.185 54.594 65.762 1.00 0.00 H ATOM 640 N SER A 72 24.755 53.266 63.273 1.00 21.40 N ATOM 641 CA SER A 72 25.970 52.683 62.723 1.00 19.55 C ATOM 642 C SER A 72 25.915 52.636 61.198 1.00 16.83 C ATOM 643 O SER A 72 24.865 52.822 60.620 1.00 19.63 O ATOM 644 CB SER A 72 26.172 51.254 63.244 1.00 18.73 C ATOM 645 OG SER A 72 25.229 50.361 62.653 1.00 17.03 O ATOM 646 HG SER A 72 25.346 50.362 61.670 1.00 0.00 H ATOM 647 H SER A 72 24.112 52.670 63.832 1.00 0.00 H ATOM 648 N GLY A 73 27.044 52.333 60.589 1.00 17.81 N ATOM 649 CA GLY A 73 27.044 51.915 59.202 1.00 20.20 C ATOM 650 C GLY A 73 26.401 50.535 59.092 1.00 15.73 C ATOM 651 O GLY A 73 26.130 49.860 60.106 1.00 16.95 O ATOM 652 H GLY A 73 27.943 52.395 61.109 1.00 0.00 H ATOM 653 N THR A 74 26.171 50.093 57.868 1.00 15.71 N ATOM 654 CA THR A 74 25.602 48.768 57.662 1.00 14.08 C ATOM 655 C THR A 74 26.592 47.673 58.053 1.00 15.10 C ATOM 656 O THR A 74 27.810 47.777 57.865 1.00 16.70 O ATOM 657 CB THR A 74 25.185 48.570 56.225 1.00 14.50 C ATOM 658 OG1 THR A 74 26.295 48.895 55.386 1.00 15.08 O ATOM 659 CG2 THR A 74 24.000 49.483 55.888 1.00 17.71 C ATOM 660 HG1 THR A 74 26.038 48.770 54.438 1.00 0.00 H ATOM 661 H THR A 74 26.397 50.693 57.049 1.00 0.00 H ATOM 662 N ILE A 75 26.035 46.592 58.595 1.00 13.41 N ATOM 663 CA ILE A 75 26.786 45.431 59.056 1.00 13.23 C ATOM 664 C ILE A 75 26.126 44.219 58.393 1.00 11.29 C ATOM 665 O ILE A 75 24.893 44.074 58.482 1.00 12.73 O ATOM 666 CB ILE A 75 26.651 45.294 60.578 1.00 15.32 C ATOM 667 CG1 ILE A 75 27.255 46.528 61.267 1.00 15.46 C ATOM 668 CG2 ILE A 75 27.300 43.991 61.062 1.00 15.54 C ATOM 669 CD1 ILE A 75 26.982 46.590 62.747 1.00 17.96 C ATOM 670 H ILE A 75 25.000 46.575 58.696 1.00 0.00 H ATOM 671 N PRO A 76 26.904 43.355 57.727 1.00 12.81 N ATOM 672 CA PRO A 76 26.299 42.155 57.136 1.00 13.80 C ATOM 673 C PRO A 76 25.665 41.227 58.182 1.00 12.68 C ATOM 674 O PRO A 76 26.220 40.991 59.272 1.00 13.63 O ATOM 675 CB PRO A 76 27.491 41.452 56.464 1.00 14.72 C ATOM 676 CG PRO A 76 28.506 42.550 56.237 1.00 16.18 C ATOM 677 CD PRO A 76 28.348 43.450 57.437 1.00 14.27 C ATOM 678 N VAL A 77 24.489 40.696 57.847 1.00 10.89 N ATOM 679 CA VAL A 77 23.833 39.658 58.630 1.00 10.36 C ATOM 680 C VAL A 77 23.843 38.360 57.841 1.00 9.81 C ATOM 681 O VAL A 77 24.125 37.294 58.422 1.00 11.01 O ATOM 682 CB VAL A 77 22.383 40.039 58.965 1.00 10.95 C ATOM 683 CG1 VAL A 77 21.671 38.883 59.673 1.00 11.29 C ATOM 684 CG2 VAL A 77 22.376 41.291 59.864 1.00 12.87 C ATOM 685 H VAL A 77 24.018 41.039 56.986 1.00 0.00 H ATOM 686 N ASN A 78 23.547 38.404 56.547 1.00 9.82 N ATOM 687 CA ASN A 78 23.505 37.195 55.757 1.00 10.60 C ATOM 688 C ASN A 78 22.527 36.207 56.361 1.00 10.10 C ATOM 689 O ASN A 78 21.419 36.592 56.677 1.00 10.74 O ATOM 690 CB ASN A 78 24.911 36.654 55.557 1.00 12.45 C ATOM 691 CG ASN A 78 25.752 37.582 54.713 1.00 11.88 C ATOM 692 OD1 ASN A 78 25.352 37.945 53.589 1.00 13.00 O ATOM 693 ND2 ASN A 78 26.896 37.984 55.213 1.00 13.83 N ATOM 694 HD22 ASN A 78 27.195 37.659 56.155 1.00 0.00 H ATOM 695 HD21 ASN A 78 27.504 38.628 54.668 1.00 0.00 H ATOM 696 H ASN A 78 23.343 39.319 56.097 1.00 0.00 H ATOM 697 N THR A 79 22.908 34.937 56.473 1.00 10.12 N ATOM 698 CA THR A 79 22.007 33.948 57.073 1.00 10.42 C ATOM 699 C THR A 79 21.815 34.097 58.575 1.00 11.10 C ATOM 700 O THR A 79 20.906 33.506 59.134 1.00 11.95 O ATOM 701 CB THR A 79 22.500 32.532 56.819 1.00 10.59 C ATOM 702 OG1 THR A 79 23.811 32.394 57.365 1.00 12.59 O ATOM 703 CG2 THR A 79 22.553 32.218 55.312 1.00 13.93 C ATOM 704 HG1 THR A 79 24.418 33.043 56.930 1.00 0.00 H ATOM 705 H THR A 79 23.847 34.645 56.134 1.00 0.00 H ATOM 706 N GLY A 80 22.638 34.922 59.195 1.00 9.81 N ATOM 707 CA GLY A 80 22.529 35.104 60.628 1.00 11.72 C ATOM 708 C GLY A 80 23.842 35.286 61.304 1.00 11.86 C ATOM 709 O GLY A 80 24.911 35.251 60.722 1.00 11.93 O ATOM 710 H GLY A 80 23.362 35.439 58.657 1.00 0.00 H ATOM 711 N LEU A 81 23.726 35.456 62.622 1.00 12.32 N ATOM 712 CA LEU A 81 24.886 35.721 63.490 1.00 12.61 C ATOM 713 C LEU A 81 24.729 34.825 64.711 1.00 11.99 C ATOM 714 O LEU A 81 23.636 34.679 65.216 1.00 14.32 O ATOM 715 CB LEU A 81 24.947 37.201 63.917 1.00 15.07 C ATOM 716 CG LEU A 81 24.979 38.219 62.762 1.00 18.59 C ATOM 717 CD1 LEU A 81 24.800 39.639 63.286 1.00 23.56 C ATOM 718 CD2 LEU A 81 26.275 38.113 62.039 1.00 20.62 C ATOM 719 H LEU A 81 22.781 35.399 63.053 1.00 0.00 H ATOM 720 N PHE A 82 25.817 34.186 65.127 1.00 11.97 N ATOM 721 CA PHE A 82 25.754 33.249 66.224 1.00 10.40 C ATOM 722 C PHE A 82 26.528 33.802 67.403 1.00 11.45 C ATOM 723 O PHE A 82 27.752 33.933 67.334 1.00 12.92 O ATOM 724 CB PHE A 82 26.358 31.922 65.778 1.00 12.51 C ATOM 725 CG PHE A 82 26.261 30.850 66.815 1.00 11.79 C ATOM 726 CD1 PHE A 82 25.090 30.125 66.960 1.00 14.05 C ATOM 727 CD2 PHE A 82 27.336 30.554 67.645 1.00 12.96 C ATOM 728 CE1 PHE A 82 24.998 29.112 67.904 1.00 17.56 C ATOM 729 CE2 PHE A 82 27.255 29.549 68.600 1.00 14.79 C ATOM 730 CZ PHE A 82 26.079 28.835 68.730 1.00 15.13 C ATOM 731 H PHE A 82 26.727 34.363 64.656 1.00 0.00 H ATOM 732 N ARG A 83 25.798 34.118 68.480 1.00 12.22 N ATOM 733 CA ARG A 83 26.387 34.584 69.757 1.00 13.02 C ATOM 734 C ARG A 83 27.386 35.688 69.489 1.00 14.05 C ATOM 735 O ARG A 83 28.569 35.611 69.808 1.00 15.37 O ATOM 736 CB ARG A 83 26.997 33.413 70.522 1.00 14.65 C ATOM 737 CG ARG A 83 25.919 32.425 70.880 1.00 16.08 C ATOM 738 CD ARG A 83 26.441 31.240 71.670 1.00 20.53 C ATOM 739 NE ARG A 83 25.331 30.337 71.910 1.00 19.91 N ATOM 740 CZ ARG A 83 25.442 29.162 72.535 1.00 23.94 C ATOM 741 NH1 ARG A 83 26.625 28.739 72.953 1.00 24.05 N ATOM 742 NH2 ARG A 83 24.372 28.408 72.709 1.00 24.56 N ATOM 743 HE ARG A 83 24.389 30.623 71.574 1.00 0.00 H ATOM 744 HH12 ARG A 83 26.708 27.823 73.439 1.00 0.00 H ATOM 745 HH11 ARG A 83 27.471 29.322 72.795 1.00 0.00 H ATOM 746 HH22 ARG A 83 24.455 27.492 73.195 1.00 0.00 H ATOM 747 HH21 ARG A 83 23.447 28.730 72.360 1.00 0.00 H ATOM 748 H ARG A 83 24.764 34.032 68.417 1.00 0.00 H ATOM 749 N TRP A 84 26.892 36.720 68.820 1.00 13.12 N ATOM 750 CA TRP A 84 27.687 37.794 68.274 1.00 13.32 C ATOM 751 C TRP A 84 27.688 39.041 69.154 1.00 12.65 C ATOM 752 O TRP A 84 26.675 39.405 69.712 1.00 12.92 O ATOM 753 CB TRP A 84 27.104 38.087 66.888 1.00 14.92 C ATOM 754 CG TRP A 84 27.729 39.156 66.076 1.00 15.42 C ATOM 755 CD1 TRP A 84 28.686 38.995 65.112 1.00 17.69 C ATOM 756 CD2 TRP A 84 27.357 40.539 66.049 1.00 14.78 C ATOM 757 NE1 TRP A 84 28.972 40.213 64.528 1.00 18.58 N ATOM 758 CE2 TRP A 84 28.165 41.174 65.072 1.00 15.48 C ATOM 759 CE3 TRP A 84 26.436 41.306 66.760 1.00 16.53 C ATOM 760 CZ2 TRP A 84 28.080 42.544 64.803 1.00 15.54 C ATOM 761 CZ3 TRP A 84 26.335 42.673 66.467 1.00 18.52 C ATOM 762 CH2 TRP A 84 27.159 43.269 65.489 1.00 18.31 C ATOM 763 HE1 TRP A 84 29.688 40.374 63.791 1.00 0.00 H ATOM 764 H TRP A 84 25.862 36.759 68.679 1.00 0.00 H ATOM 765 N VAL A 85 28.847 39.688 69.185 1.00 14.80 N ATOM 766 CA VAL A 85 29.033 40.922 69.937 1.00 15.92 C ATOM 767 C VAL A 85 29.402 42.014 68.947 1.00 18.22 C ATOM 768 O VAL A 85 30.211 41.788 68.040 1.00 18.10 O ATOM 769 CB VAL A 85 30.153 40.759 71.016 1.00 19.37 C ATOM 770 CG1 VAL A 85 30.392 42.069 71.764 1.00 20.01 C ATOM 771 CG2 VAL A 85 29.788 39.673 72.000 1.00 22.96 C ATOM 772 H VAL A 85 29.652 39.300 68.653 1.00 0.00 H ATOM 773 N ALA A 86 28.804 43.187 69.109 1.00 16.20 N ATOM 774 CA ALA A 86 29.060 44.303 68.197 1.00 18.23 C ATOM 775 C ALA A 86 30.435 44.933 68.439 1.00 20.43 C ATOM 776 O ALA A 86 31.031 44.764 69.505 1.00 22.04 O ATOM 777 CB ALA A 86 27.971 45.360 68.364 1.00 17.96 C ATOM 778 H ALA A 86 28.140 43.316 69.899 1.00 0.00 H ATOM 779 N PRO A 87 30.928 45.698 67.453 1.00 21.39 N ATOM 780 CA PRO A 87 32.161 46.468 67.653 1.00 26.95 C ATOM 781 C PRO A 87 31.989 47.506 68.764 1.00 28.02 C ATOM 782 O PRO A 87 30.867 47.861 69.135 1.00 23.94 O ATOM 783 CB PRO A 87 32.360 47.170 66.306 1.00 31.52 C ATOM 784 CG PRO A 87 31.612 46.337 65.313 1.00 32.21 C ATOM 785 CD PRO A 87 30.417 45.813 66.075 1.00 23.90 C ATOM 786 N ASN A 88 33.104 47.982 69.302 1.00 33.83 N ATOM 787 CA ASN A 88 33.062 49.009 70.341 1.00 33.68 C ATOM 788 C ASN A 88 32.247 50.222 69.904 1.00 35.35 C ATOM 789 O ASN A 88 32.300 50.622 68.743 1.00 34.52 O ATOM 790 CB ASN A 88 34.480 49.439 70.719 1.00 43.23 C ATOM 791 CG ASN A 88 35.257 48.337 71.413 1.00 50.48 C ATOM 792 OD1 ASN A 88 34.738 47.661 72.300 1.00 53.79 O ATOM 793 ND2 ASN A 88 36.507 48.145 71.004 1.00 62.20 N ATOM 794 HD22 ASN A 88 36.905 48.741 70.250 1.00 0.00 H ATOM 795 HD21 ASN A 88 37.087 47.399 71.438 1.00 0.00 H ATOM 796 H ASN A 88 34.023 47.618 68.979 1.00 0.00 H ATOM 797 N ASN A 89 31.467 50.768 70.835 1.00 33.55 N ATOM 798 CA ASN A 89 30.717 52.015 70.627 1.00 36.80 C ATOM 799 C ASN A 89 29.478 51.903 69.740 1.00 31.96 C ATOM 800 O ASN A 89 28.839 52.906 69.423 1.00 37.69 O ATOM 801 CB ASN A 89 31.629 53.133 70.109 1.00 38.81 C ATOM 802 CG ASN A 89 32.850 53.339 70.979 1.00 51.25 C ATOM 803 OD1 ASN A 89 32.738 53.710 72.147 1.00 53.02 O ATOM 804 ND2 ASN A 89 34.028 53.105 70.412 1.00 53.58 N ATOM 805 HD22 ASN A 89 34.075 52.793 69.421 1.00 0.00 H ATOM 806 HD21 ASN A 89 34.903 53.234 70.959 1.00 0.00 H ATOM 807 H ASN A 89 31.384 50.289 71.754 1.00 0.00 H ATOM 808 N VAL A 90 29.147 50.686 69.330 1.00 25.06 N ATOM 809 CA VAL A 90 27.964 50.442 68.521 1.00 24.26 C ATOM 810 C VAL A 90 26.824 50.037 69.437 1.00 18.58 C ATOM 811 O VAL A 90 26.968 49.083 70.201 1.00 22.01 O ATOM 812 CB VAL A 90 28.225 49.305 67.501 1.00 25.19 C ATOM 813 CG1 VAL A 90 26.933 48.866 66.831 1.00 23.88 C ATOM 814 CG2 VAL A 90 29.272 49.738 66.467 1.00 28.27 C ATOM 815 H VAL A 90 29.752 49.882 69.595 1.00 0.00 H ATOM 816 N GLN A 91 25.701 50.742 69.383 1.00 19.16 N ATOM 817 CA GLN A 91 24.564 50.472 70.260 1.00 19.24 C ATOM 818 C GLN A 91 23.315 51.155 69.725 1.00 17.44 C ATOM 819 O GLN A 91 23.413 52.110 68.933 1.00 19.95 O ATOM 820 CB GLN A 91 24.863 50.949 71.693 1.00 20.14 C ATOM 821 CG GLN A 91 24.972 52.470 71.777 1.00 20.72 C ATOM 822 CD GLN A 91 25.323 52.994 73.163 1.00 38.38 C ATOM 823 OE1 GLN A 91 25.331 52.254 74.133 1.00 38.10 O ATOM 824 NE2 GLN A 91 25.610 54.286 73.249 1.00 58.48 N ATOM 825 HE22 GLN A 91 25.591 54.881 72.396 1.00 0.00 H ATOM 826 HE21 GLN A 91 25.854 54.704 74.169 1.00 0.00 H ATOM 827 H GLN A 91 25.628 51.515 68.691 1.00 0.00 H ATOM 828 N GLY A 92 22.146 50.669 70.095 1.00 16.75 N ATOM 829 CA GLY A 92 20.881 51.244 69.693 1.00 17.02 C ATOM 830 C GLY A 92 19.950 50.237 69.028 1.00 15.45 C ATOM 831 O GLY A 92 20.263 49.040 68.975 1.00 15.37 O ATOM 832 H GLY A 92 22.133 49.829 70.708 1.00 0.00 H ATOM 833 N ALA A 93 18.817 50.698 68.510 1.00 16.59 N ATOM 834 CA ALA A 93 17.842 49.806 67.903 1.00 18.58 C ATOM 835 C ALA A 93 18.437 49.105 66.701 1.00 14.97 C ATOM 836 O ALA A 93 19.178 49.710 65.904 1.00 14.83 O ATOM 837 CB ALA A 93 16.592 50.575 67.467 1.00 20.31 C ATOM 838 H ALA A 93 18.623 51.719 68.539 1.00 0.00 H ATOM 839 N ILE A 94 18.071 47.840 66.547 1.00 14.30 N ATOM 840 CA ILE A 94 18.467 47.094 65.368 1.00 14.86 C ATOM 841 C ILE A 94 17.436 47.293 64.282 1.00 12.42 C ATOM 842 O ILE A 94 16.247 47.031 64.467 1.00 14.00 O ATOM 843 CB ILE A 94 18.611 45.591 65.659 1.00 13.96 C ATOM 844 CG1 ILE A 94 19.746 45.370 66.650 1.00 18.14 C ATOM 845 CG2 ILE A 94 18.903 44.855 64.356 1.00 16.42 C ATOM 846 CD1 ILE A 94 19.927 43.909 67.077 1.00 17.66 C ATOM 847 H ILE A 94 17.494 47.378 67.279 1.00 0.00 H ATOM 848 N THR A 95 17.892 47.763 63.113 1.00 12.62 N ATOM 849 CA THR A 95 17.070 47.867 61.907 1.00 12.14 C ATOM 850 C THR A 95 17.628 46.892 60.871 1.00 11.78 C ATOM 851 O THR A 95 18.828 46.878 60.626 1.00 13.22 O ATOM 852 CB THR A 95 17.078 49.290 61.327 1.00 13.51 C ATOM 853 OG1 THR A 95 16.477 50.168 62.268 1.00 17.75 O ATOM 854 CG2 THR A 95 16.251 49.365 60.047 1.00 15.79 C ATOM 855 HG1 THR A 95 16.477 51.089 61.905 1.00 0.00 H ATOM 856 H THR A 95 18.884 48.071 63.060 1.00 0.00 H ATOM 857 N LEU A 96 16.766 46.057 60.324 1.00 12.15 N ATOM 858 CA LEU A 96 17.163 45.082 59.315 1.00 11.69 C ATOM 859 C LEU A 96 16.875 45.644 57.932 1.00 12.06 C ATOM 860 O LEU A 96 15.807 46.212 57.729 1.00 13.07 O ATOM 861 CB LEU A 96 16.374 43.798 59.520 1.00 12.63 C ATOM 862 CG LEU A 96 16.635 43.099 60.853 1.00 12.15 C ATOM 863 CD1 LEU A 96 15.586 42.008 61.036 1.00 16.98 C ATOM 864 CD2 LEU A 96 18.016 42.518 60.855 1.00 15.92 C ATOM 865 H LEU A 96 15.770 46.095 60.622 1.00 0.00 H ATOM 866 N ILE A 97 17.756 45.422 56.960 1.00 11.24 N ATOM 867 CA ILE A 97 17.555 46.007 55.639 1.00 10.75 C ATOM 868 C ILE A 97 18.024 45.051 54.578 1.00 11.49 C ATOM 869 O ILE A 97 19.073 44.425 54.677 1.00 11.82 O ATOM 870 CB ILE A 97 18.308 47.379 55.478 1.00 12.91 C ATOM 871 CG1 ILE A 97 18.287 48.205 56.771 1.00 15.88 C ATOM 872 CG2 ILE A 97 17.696 48.172 54.327 1.00 13.34 C ATOM 873 CD1 ILE A 97 19.436 49.171 56.892 1.00 23.85 C ATOM 874 H ILE A 97 18.591 44.829 57.143 1.00 0.00 H ATOM 875 N TYR A 98 17.291 45.013 53.478 1.00 10.97 N ATOM 876 CA TYR A 98 17.721 44.312 52.299 1.00 11.54 C ATOM 877 C TYR A 98 18.816 45.116 51.595 1.00 11.32 C ATOM 878 O TYR A 98 18.683 46.343 51.475 1.00 12.38 O ATOM 879 CB TYR A 98 16.523 44.195 51.343 1.00 13.61 C ATOM 880 CG TYR A 98 16.679 43.227 50.208 1.00 10.56 C ATOM 881 CD1 TYR A 98 16.750 41.859 50.431 1.00 11.83 C ATOM 882 CD2 TYR A 98 16.702 43.665 48.879 1.00 12.56 C ATOM 883 CE1 TYR A 98 16.863 40.964 49.413 1.00 11.17 C ATOM 884 CE2 TYR A 98 16.818 42.776 47.837 1.00 11.93 C ATOM 885 CZ TYR A 98 16.891 41.438 48.094 1.00 12.07 C ATOM 886 OH TYR A 98 16.989 40.574 47.042 1.00 12.88 O ATOM 887 HH TYR A 98 17.033 39.645 47.382 1.00 0.00 H ATOM 888 H TYR A 98 16.375 45.506 53.466 1.00 0.00 H ATOM 889 N ASN A 99 19.880 44.459 51.161 1.00 11.26 N ATOM 890 CA ASN A 99 21.006 45.154 50.526 1.00 12.35 C ATOM 891 C ASN A 99 20.739 45.406 49.043 1.00 12.12 C ATOM 892 O ASN A 99 20.745 44.486 48.243 1.00 11.76 O ATOM 893 CB ASN A 99 22.266 44.314 50.662 1.00 12.26 C ATOM 894 CG ASN A 99 23.547 45.117 50.463 1.00 11.55 C ATOM 895 OD1 ASN A 99 23.536 46.346 50.594 1.00 13.03 O ATOM 896 ND2 ASN A 99 24.651 44.428 50.200 1.00 12.20 N ATOM 897 HD22 ASN A 99 24.607 43.394 50.099 1.00 0.00 H ATOM 898 HD21 ASN A 99 25.560 44.922 50.095 1.00 0.00 H ATOM 899 H ASN A 99 19.919 43.426 51.273 1.00 0.00 H ATOM 900 N ASP A 100 20.472 46.672 48.695 1.00 12.20 N ATOM 901 CA ASP A 100 20.322 47.053 47.283 1.00 11.68 C ATOM 902 C ASP A 100 20.905 48.447 47.176 1.00 12.60 C ATOM 903 O ASP A 100 21.361 49.036 48.131 1.00 13.00 O ATOM 904 CB ASP A 100 18.840 47.020 46.888 1.00 12.21 C ATOM 905 CG ASP A 100 18.618 46.827 45.373 1.00 13.12 C ATOM 906 OD1 ASP A 100 19.606 46.854 44.603 1.00 12.83 O ATOM 907 OD2 ASP A 100 17.445 46.615 44.981 1.00 12.96 O ATOM 908 H ASP A 100 20.369 47.396 49.435 1.00 0.00 H ATOM 909 N VAL A 101 20.899 48.951 45.944 1.00 13.16 N ATOM 910 CA VAL A 101 21.360 50.313 45.654 1.00 13.77 C ATOM 911 C VAL A 101 20.257 51.317 46.005 1.00 12.71 C ATOM 912 O VAL A 101 19.094 51.105 45.634 1.00 14.09 O ATOM 913 CB VAL A 101 21.745 50.409 44.184 1.00 15.33 C ATOM 914 CG1 VAL A 101 22.136 51.870 43.813 1.00 15.53 C ATOM 915 CG2 VAL A 101 22.899 49.446 43.887 1.00 14.21 C ATOM 916 H VAL A 101 20.556 48.359 45.161 1.00 0.00 H ATOM 917 N PRO A 102 20.601 52.390 46.720 1.00 13.65 N ATOM 918 CA PRO A 102 19.590 53.387 47.070 1.00 13.42 C ATOM 919 C PRO A 102 18.849 53.866 45.823 1.00 15.23 C ATOM 920 O PRO A 102 19.446 54.047 44.762 1.00 17.04 O ATOM 921 CB PRO A 102 20.411 54.525 47.673 1.00 17.59 C ATOM 922 CG PRO A 102 21.620 53.804 48.296 1.00 18.23 C ATOM 923 CD PRO A 102 21.920 52.710 47.296 1.00 16.14 C ATOM 924 N GLY A 103 17.538 54.021 45.963 1.00 15.13 N ATOM 925 CA GLY A 103 16.706 54.438 44.848 1.00 17.82 C ATOM 926 C GLY A 103 16.253 53.325 43.917 1.00 18.17 C ATOM 927 O GLY A 103 15.467 53.574 42.986 1.00 18.95 O ATOM 928 H GLY A 103 17.099 53.840 46.888 1.00 0.00 H ATOM 929 N THR A 104 16.727 52.083 44.122 1.00 15.12 N ATOM 930 CA THR A 104 16.404 50.986 43.230 1.00 14.58 C ATOM 931 C THR A 104 15.568 49.876 43.902 1.00 12.43 C ATOM 932 O THR A 104 15.454 48.796 43.352 1.00 13.32 O ATOM 933 CB THR A 104 17.659 50.354 42.596 1.00 15.69 C ATOM 934 OG1 THR A 104 18.351 49.562 43.591 1.00 15.61 O ATOM 935 CG2 THR A 104 18.600 51.445 42.041 1.00 17.32 C ATOM 936 HG1 THR A 104 18.618 50.143 44.347 1.00 0.00 H ATOM 937 H THR A 104 17.341 51.905 44.942 1.00 0.00 H ATOM 938 N TYR A 105 14.917 50.204 44.996 1.00 13.40 N ATOM 939 CA TYR A 105 14.199 49.167 45.764 1.00 14.15 C ATOM 940 C TYR A 105 12.816 48.880 45.224 1.00 14.97 C ATOM 941 O TYR A 105 12.178 47.885 45.588 1.00 15.22 O ATOM 942 CB TYR A 105 14.074 49.582 47.236 1.00 15.11 C ATOM 943 CG TYR A 105 15.317 49.364 48.070 1.00 14.04 C ATOM 944 CD1 TYR A 105 16.441 50.164 47.927 1.00 14.76 C ATOM 945 CD2 TYR A 105 15.355 48.356 49.040 1.00 13.89 C ATOM 946 CE1 TYR A 105 17.579 49.964 48.695 1.00 13.69 C ATOM 947 CE2 TYR A 105 16.473 48.161 49.816 1.00 13.81 C ATOM 948 CZ TYR A 105 17.582 48.961 49.669 1.00 12.84 C ATOM 949 OH TYR A 105 18.711 48.807 50.432 1.00 13.10 O ATOM 950 HH TYR A 105 19.080 47.899 50.294 1.00 0.00 H ATOM 951 H TYR A 105 14.908 51.192 45.320 1.00 0.00 H ATOM 952 N GLY A 106 12.341 49.732 44.305 1.00 13.80 N ATOM 953 CA GLY A 106 10.955 49.618 43.884 1.00 15.42 C ATOM 954 C GLY A 106 10.617 48.360 43.108 1.00 13.09 C ATOM 955 O GLY A 106 9.456 47.941 43.111 1.00 14.66 O ATOM 956 H GLY A 106 12.956 50.465 43.898 1.00 0.00 H ATOM 957 N ASN A 107 11.585 47.744 42.442 1.00 12.64 N ATOM 958 CA ASN A 107 11.336 46.535 41.706 1.00 13.37 C ATOM 959 C ASN A 107 11.715 45.274 42.491 1.00 11.71 C ATOM 960 O ASN A 107 11.804 44.222 41.910 1.00 13.65 O ATOM 961 CB ASN A 107 12.071 46.539 40.355 1.00 13.46 C ATOM 962 CG ASN A 107 13.588 46.531 40.506 1.00 14.29 C ATOM 963 OD1 ASN A 107 14.124 46.739 41.595 1.00 13.25 O ATOM 964 ND2 ASN A 107 14.285 46.270 39.421 1.00 14.36 N ATOM 965 HD22 ASN A 107 13.798 46.099 38.518 1.00 0.00 H ATOM 966 HD21 ASN A 107 15.323 46.234 39.466 1.00 0.00 H ATOM 967 H ASN A 107 12.545 48.145 42.453 1.00 0.00 H ATOM 968 N ASN A 108 11.922 45.418 43.791 1.00 13.04 N ATOM 969 CA ASN A 108 12.320 44.291 44.632 1.00 13.08 C ATOM 970 C ASN A 108 11.088 43.482 45.015 1.00 15.43 C ATOM 971 O ASN A 108 9.956 43.990 45.036 1.00 15.82 O ATOM 972 CB ASN A 108 13.054 44.819 45.850 1.00 12.85 C ATOM 973 CG ASN A 108 14.413 45.433 45.507 1.00 13.03 C ATOM 974 OD1 ASN A 108 14.751 45.612 44.318 1.00 13.20 O ATOM 975 ND2 ASN A 108 15.156 45.824 46.521 1.00 12.70 N ATOM 976 HD22 ASN A 108 14.836 45.655 47.496 1.00 0.00 H ATOM 977 HD21 ASN A 108 16.063 46.302 46.347 1.00 0.00 H ATOM 978 H ASN A 108 11.798 46.356 44.224 1.00 0.00 H ATOM 979 N SER A 109 11.300 42.214 45.372 1.00 13.66 N ATOM 980 CA SER A 109 10.182 41.374 45.756 1.00 14.67 C ATOM 981 C SER A 109 10.624 40.332 46.766 1.00 13.69 C ATOM 982 O SER A 109 11.822 40.074 46.919 1.00 12.97 O ATOM 983 CB SER A 109 9.570 40.684 44.542 1.00 15.73 C ATOM 984 OG SER A 109 10.480 39.814 43.941 1.00 17.10 O ATOM 985 HG SER A 109 11.276 40.323 43.646 1.00 0.00 H ATOM 986 H SER A 109 12.266 41.829 45.375 1.00 0.00 H ATOM 987 N GLY A 110 9.650 39.744 47.436 1.00 12.16 N ATOM 988 CA GLY A 110 9.946 38.768 48.478 1.00 12.99 C ATOM 989 C GLY A 110 10.395 39.408 49.764 1.00 12.93 C ATOM 990 O GLY A 110 10.318 40.610 49.990 1.00 12.88 O ATOM 991 H GLY A 110 8.661 39.980 47.218 1.00 0.00 H ATOM 992 N SER A 111 10.835 38.550 50.684 1.00 13.42 N ATOM 993 CA SER A 111 11.148 38.976 52.042 1.00 13.14 C ATOM 994 C SER A 111 11.962 37.907 52.759 1.00 13.47 C ATOM 995 O SER A 111 11.989 36.764 52.318 1.00 13.35 O ATOM 996 CB SER A 111 9.855 39.215 52.825 1.00 15.68 C ATOM 997 OG SER A 111 9.107 37.999 52.943 1.00 17.95 O ATOM 998 HG SER A 111 8.879 37.664 52.040 1.00 0.00 H ATOM 999 H SER A 111 10.958 37.550 50.426 1.00 0.00 H ATOM 1000 N PHE A 112 12.582 38.288 53.864 1.00 11.98 N ATOM 1001 CA PHE A 112 13.218 37.306 54.748 1.00 11.22 C ATOM 1002 C PHE A 112 12.477 37.281 56.069 1.00 11.97 C ATOM 1003 O PHE A 112 12.066 38.326 56.591 1.00 13.36 O ATOM 1004 CB PHE A 112 14.681 37.639 54.975 1.00 11.89 C ATOM 1005 CG PHE A 112 15.510 37.640 53.718 1.00 11.48 C ATOM 1006 CD1 PHE A 112 15.443 36.595 52.814 1.00 11.36 C ATOM 1007 CD2 PHE A 112 16.385 38.695 53.487 1.00 12.36 C ATOM 1008 CE1 PHE A 112 16.230 36.612 51.674 1.00 12.27 C ATOM 1009 CE2 PHE A 112 17.165 38.718 52.334 1.00 12.83 C ATOM 1010 CZ PHE A 112 17.096 37.691 51.454 1.00 11.35 C ATOM 1011 H PHE A 112 12.619 39.298 54.109 1.00 0.00 H ATOM 1012 N SER A 113 12.305 36.078 56.607 1.00 11.54 N ATOM 1013 CA SER A 113 11.769 35.900 57.948 1.00 12.21 C ATOM 1014 C SER A 113 12.956 35.824 58.878 1.00 12.13 C ATOM 1015 O SER A 113 13.897 35.065 58.631 1.00 13.23 O ATOM 1016 CB SER A 113 10.956 34.618 57.940 1.00 15.04 C ATOM 1017 OG SER A 113 10.545 34.316 59.267 1.00 23.72 O ATOM 1018 HG SER A 113 9.992 35.059 59.617 1.00 0.00 H ATOM 1019 H SER A 113 12.562 35.237 56.052 1.00 0.00 H ATOM 1020 N VAL A 114 12.933 36.601 59.956 1.00 11.65 N ATOM 1021 CA VAL A 114 14.121 36.757 60.770 1.00 11.16 C ATOM 1022 C VAL A 114 13.757 36.647 62.244 1.00 12.51 C ATOM 1023 O VAL A 114 12.747 37.203 62.676 1.00 13.06 O ATOM 1024 CB VAL A 114 14.807 38.132 60.494 1.00 12.20 C ATOM 1025 CG1 VAL A 114 16.106 38.260 61.292 1.00 13.64 C ATOM 1026 CG2 VAL A 114 15.066 38.294 58.982 1.00 11.06 C ATOM 1027 H VAL A 114 12.058 37.099 60.216 1.00 0.00 H ATOM 1028 N ASN A 115 14.569 35.896 62.992 1.00 11.34 N ATOM 1029 CA ASN A 115 14.505 35.848 64.466 1.00 10.29 C ATOM 1030 C ASN A 115 15.730 36.502 65.012 1.00 10.95 C ATOM 1031 O ASN A 115 16.832 36.233 64.534 1.00 11.44 O ATOM 1032 CB ASN A 115 14.503 34.388 64.954 1.00 12.84 C ATOM 1033 CG ASN A 115 13.160 33.720 64.807 1.00 17.48 C ATOM 1034 OD1 ASN A 115 12.261 33.907 65.640 1.00 20.90 O ATOM 1035 ND2 ASN A 115 13.015 32.921 63.770 1.00 24.47 N ATOM 1036 HD22 ASN A 115 13.798 32.795 63.097 1.00 0.00 H ATOM 1037 HD21 ASN A 115 12.118 32.416 63.624 1.00 0.00 H ATOM 1038 H ASN A 115 15.284 35.314 62.511 1.00 0.00 H ATOM 1039 N ILE A 116 15.570 37.293 66.082 1.00 11.85 N ATOM 1040 CA ILE A 116 16.693 37.856 66.813 1.00 11.64 C ATOM 1041 C ILE A 116 16.432 37.631 68.313 1.00 12.32 C ATOM 1042 O ILE A 116 15.327 37.907 68.794 1.00 14.31 O ATOM 1043 CB ILE A 116 16.808 39.389 66.621 1.00 11.74 C ATOM 1044 CG1 ILE A 116 16.877 39.765 65.139 1.00 12.23 C ATOM 1045 CG2 ILE A 116 18.023 39.904 67.328 1.00 13.83 C ATOM 1046 CD1 ILE A 116 17.047 41.251 64.939 1.00 16.68 C ATOM 1047 H ILE A 116 14.605 37.512 66.402 1.00 0.00 H ATOM 1048 N GLY A 117 17.445 37.154 69.005 1.00 11.89 N ATOM 1049 CA GLY A 117 17.353 37.040 70.455 1.00 13.30 C ATOM 1050 C GLY A 117 18.629 37.501 71.075 1.00 12.82 C ATOM 1051 O GLY A 117 19.710 37.520 70.494 1.00 13.95 O ATOM 1052 H GLY A 117 18.313 36.858 68.516 1.00 0.00 H ATOM 1053 N LYS A 118 18.519 37.848 72.364 1.00 13.11 N ATOM 1054 CA LYS A 118 19.714 38.112 73.136 1.00 13.33 C ATOM 1055 C LYS A 118 20.134 36.819 73.841 1.00 10.90 C ATOM 1056 O LYS A 118 19.292 36.080 74.329 1.00 13.42 O ATOM 1057 CB LYS A 118 19.460 39.207 74.185 1.00 13.68 C ATOM 1058 CG LYS A 118 19.171 40.561 73.537 1.00 12.50 C ATOM 1059 CD LYS A 118 19.262 41.719 74.533 1.00 14.43 C ATOM 1060 CE LYS A 118 18.887 43.015 73.823 1.00 13.63 C ATOM 1061 NZ LYS A 118 19.168 44.178 74.716 1.00 14.00 N ATOM 1062 HZ1 LYS A 118 18.608 44.087 75.588 1.00 0.00 H ATOM 1063 HZ2 LYS A 118 20.180 44.195 74.953 1.00 0.00 H ATOM 1064 HZ3 LYS A 118 18.911 45.059 74.227 1.00 0.00 H ATOM 1065 H LYS A 118 17.581 37.927 72.807 1.00 0.00 H ATOM 1066 N ASP A 119 21.430 36.577 73.852 1.00 12.60 N ATOM 1067 CA ASP A 119 21.978 35.369 74.481 1.00 12.98 C ATOM 1068 C ASP A 119 22.498 35.670 75.875 1.00 15.96 C ATOM 1069 O ASP A 119 22.565 36.830 76.304 1.00 15.04 O ATOM 1070 CB ASP A 119 23.114 34.816 73.643 1.00 13.67 C ATOM 1071 CG ASP A 119 22.653 34.385 72.279 1.00 17.41 C ATOM 1072 OD1 ASP A 119 21.656 33.637 72.222 1.00 16.70 O ATOM 1073 OD2 ASP A 119 23.256 34.845 71.275 1.00 16.42 O ATOM 1074 H ASP A 119 22.078 37.257 73.405 1.00 0.00 H ATOM 1075 N GLN A 120 22.896 34.626 76.581 1.00 13.11 N ATOM 1076 CA GLN A 120 23.444 34.846 77.911 1.00 13.87 C ATOM 1077 C GLN A 120 24.793 35.575 77.834 1.00 18.69 C ATOM 1078 O GLN A 120 25.535 35.433 76.840 1.00 22.71 O ATOM 1079 CB GLN A 120 23.433 33.536 78.720 1.00 19.79 C ATOM 1080 CG GLN A 120 24.443 32.539 78.440 1.00 37.25 C ATOM 1081 CD GLN A 120 24.333 31.367 79.403 1.00 22.89 C ATOM 1082 OE1 GLN A 120 23.231 30.824 79.668 1.00 18.80 O ATOM 1083 NE2 GLN A 120 25.481 30.952 79.909 1.00 29.62 N ATOM 1084 HE22 GLN A 120 26.366 31.437 79.657 1.00 0.00 H ATOM 1085 HE21 GLN A 120 25.500 30.140 80.559 1.00 0.00 H ATOM 1086 H GLN A 120 22.819 33.664 76.193 1.00 0.00 H ATOM 1087 N SER A 121 25.062 36.433 78.820 1.00 16.05 N ATOM 1088 CA SER A 121 26.268 37.241 78.822 1.00 16.60 C ATOM 1089 C SER A 121 26.604 37.658 80.259 1.00 18.67 C ATOM 1090 O SER A 121 26.001 37.103 81.216 1.00 19.26 O ATOM 1091 CB SER A 121 26.101 38.488 77.931 1.00 18.91 C ATOM 1092 OG SER A 121 25.113 39.382 78.441 1.00 19.59 O ATOM 1093 HG SER A 121 25.377 39.682 79.347 1.00 0.00 H ATOM 1094 H SER A 121 24.390 36.525 79.608 1.00 0.00 H TER 1095 SER A 121 ATOM 1096 N ALA B 1 29.120 23.890 72.655 1.00 22.79 N ATOM 1097 CA ALA B 1 28.772 24.335 71.302 1.00 17.59 C ATOM 1098 C ALA B 1 29.760 23.751 70.296 1.00 20.36 C ATOM 1099 O ALA B 1 30.818 23.242 70.670 1.00 21.88 O ATOM 1100 CB ALA B 1 28.762 25.826 71.236 1.00 20.07 C ATOM 1101 HN3 ALA B 1 30.081 24.213 72.888 1.00 0.00 H ATOM 1102 HN2 ALA B 1 29.082 22.852 72.698 1.00 0.00 H ATOM 1103 HN1 ALA B 1 28.443 24.291 73.335 1.00 0.00 H ATOM 1104 N TRP B 2 29.406 23.788 69.009 1.00 16.17 N ATOM 1105 CA TRP B 2 30.211 23.153 67.980 1.00 15.58 C ATOM 1106 C TRP B 2 30.276 24.119 66.820 1.00 13.88 C ATOM 1107 O TRP B 2 29.287 24.769 66.486 1.00 14.19 O ATOM 1108 CB TRP B 2 29.572 21.829 67.549 1.00 14.89 C ATOM 1109 CG TRP B 2 30.328 21.114 66.473 1.00 17.51 C ATOM 1110 CD1 TRP B 2 31.368 20.228 66.630 1.00 17.66 C ATOM 1111 CD2 TRP B 2 30.119 21.236 65.059 1.00 15.21 C ATOM 1112 NE1 TRP B 2 31.797 19.779 65.393 1.00 18.31 N ATOM 1113 CE2 TRP B 2 31.055 20.396 64.419 1.00 16.21 C ATOM 1114 CE3 TRP B 2 29.237 21.982 64.268 1.00 16.43 C ATOM 1115 CZ2 TRP B 2 31.110 20.261 63.029 1.00 18.42 C ATOM 1116 CZ3 TRP B 2 29.306 21.853 62.893 1.00 17.16 C ATOM 1117 CH2 TRP B 2 30.236 21.004 62.289 1.00 18.08 C ATOM 1118 HE1 TRP B 2 32.557 19.088 65.229 1.00 0.00 H ATOM 1119 H TRP B 2 28.533 24.283 68.737 1.00 0.00 H ATOM 1120 N LYS B 3 31.450 24.241 66.224 1.00 14.11 N ATOM 1121 CA LYS B 3 31.567 24.955 64.971 1.00 15.79 C ATOM 1122 C LYS B 3 32.404 24.121 64.029 1.00 16.34 C ATOM 1123 O LYS B 3 33.427 23.550 64.420 1.00 17.49 O ATOM 1124 CB LYS B 3 32.235 26.314 65.154 1.00 17.95 C ATOM 1125 CG LYS B 3 32.299 27.113 63.853 1.00 20.29 C ATOM 1126 CD LYS B 3 32.856 28.508 64.093 1.00 33.40 C ATOM 1127 CE LYS B 3 32.974 29.288 62.784 1.00 39.08 C ATOM 1128 NZ LYS B 3 33.619 30.617 62.982 1.00 52.41 N ATOM 1129 HZ1 LYS B 3 33.052 31.181 63.647 1.00 0.00 H ATOM 1130 HZ2 LYS B 3 34.575 30.483 63.368 1.00 0.00 H ATOM 1131 HZ3 LYS B 3 33.679 31.112 62.069 1.00 0.00 H ATOM 1132 H LYS B 3 32.296 23.821 66.659 1.00 0.00 H ATOM 1133 N GLY B 4 31.994 24.042 62.769 1.00 14.40 N ATOM 1134 CA GLY B 4 32.719 23.224 61.816 1.00 16.44 C ATOM 1135 C GLY B 4 32.188 23.395 60.417 1.00 15.45 C ATOM 1136 O GLY B 4 31.229 24.106 60.182 1.00 17.92 O ATOM 1137 H GLY B 4 31.150 24.568 62.464 1.00 0.00 H ATOM 1138 N GLU B 5 32.826 22.713 59.490 1.00 14.69 N ATOM 1139 CA GLU B 5 32.469 22.746 58.090 1.00 14.32 C ATOM 1140 C GLU B 5 31.767 21.459 57.694 1.00 15.76 C ATOM 1141 O GLU B 5 32.117 20.369 58.167 1.00 17.36 O ATOM 1142 CB GLU B 5 33.729 22.900 57.252 1.00 18.59 C ATOM 1143 CG GLU B 5 34.457 24.215 57.434 1.00 33.70 C ATOM 1144 CD GLU B 5 33.716 25.397 56.837 1.00 41.50 C ATOM 1145 OE1 GLU B 5 33.045 25.233 55.793 1.00 39.53 O ATOM 1146 OE2 GLU B 5 33.811 26.498 57.417 1.00 46.58 O ATOM 1147 H GLU B 5 33.629 22.119 59.780 1.00 0.00 H ATOM 1148 N VAL B 6 30.775 21.610 56.836 1.00 13.57 N ATOM 1149 CA VAL B 6 30.058 20.477 56.266 1.00 13.10 C ATOM 1150 C VAL B 6 30.335 20.488 54.770 1.00 13.45 C ATOM 1151 O VAL B 6 29.895 21.393 54.064 1.00 13.40 O ATOM 1152 CB VAL B 6 28.541 20.617 56.510 1.00 14.00 C ATOM 1153 CG1 VAL B 6 27.828 19.363 56.021 1.00 18.04 C ATOM 1154 CG2 VAL B 6 28.267 20.864 57.995 1.00 16.95 C ATOM 1155 H VAL B 6 30.495 22.572 56.557 1.00 0.00 H ATOM 1156 N LEU B 7 31.127 19.520 54.290 1.00 12.08 N ATOM 1157 CA LEU B 7 31.480 19.485 52.871 1.00 13.95 C ATOM 1158 C LEU B 7 30.335 18.956 52.024 1.00 11.68 C ATOM 1159 O LEU B 7 29.700 17.964 52.374 1.00 13.57 O ATOM 1160 CB LEU B 7 32.725 18.618 52.642 1.00 16.26 C ATOM 1161 CG LEU B 7 34.040 19.378 52.712 1.00 19.97 C ATOM 1162 CD1 LEU B 7 34.232 20.045 54.077 1.00 24.29 C ATOM 1163 CD2 LEU B 7 35.195 18.424 52.393 1.00 26.82 C ATOM 1164 H LEU B 7 31.494 18.788 54.931 1.00 0.00 H ATOM 1165 N ALA B 8 30.101 19.628 50.912 1.00 12.39 N ATOM 1166 CA ALA B 8 29.022 19.234 50.009 1.00 13.90 C ATOM 1167 C ALA B 8 29.189 17.828 49.436 1.00 13.69 C ATOM 1168 O ALA B 8 28.191 17.179 49.171 1.00 13.21 O ATOM 1169 CB ALA B 8 28.846 20.234 48.885 1.00 12.76 C ATOM 1170 H ALA B 8 30.693 20.450 50.675 1.00 0.00 H ATOM 1171 N ASN B 9 30.425 17.350 49.340 1.00 12.94 N ATOM 1172 CA ASN B 9 30.644 16.034 48.732 1.00 13.15 C ATOM 1173 C ASN B 9 30.685 14.924 49.769 1.00 16.01 C ATOM 1174 O ASN B 9 31.000 13.782 49.426 1.00 17.36 O ATOM 1175 CB ASN B 9 31.901 16.034 47.855 1.00 15.02 C ATOM 1176 CG ASN B 9 33.199 16.114 48.655 1.00 16.99 C ATOM 1177 OD1 ASN B 9 33.200 16.187 49.880 1.00 16.43 O ATOM 1178 ND2 ASN B 9 34.326 16.127 47.932 1.00 18.53 N ATOM 1179 HD22 ASN B 9 34.279 16.063 46.895 1.00 0.00 H ATOM 1180 HD21 ASN B 9 35.248 16.201 48.407 1.00 0.00 H ATOM 1181 H ASN B 9 31.231 17.905 49.693 1.00 0.00 H ATOM 1182 N ASN B 10 30.383 15.233 51.028 1.00 14.07 N ATOM 1183 CA ASN B 10 30.488 14.243 52.087 1.00 14.63 C ATOM 1184 C ASN B 10 29.156 13.533 52.254 1.00 16.26 C ATOM 1185 O ASN B 10 28.278 13.961 52.992 1.00 15.95 O ATOM 1186 CB ASN B 10 30.916 14.941 53.387 1.00 16.08 C ATOM 1187 CG ASN B 10 31.067 13.992 54.553 1.00 17.73 C ATOM 1188 OD1 ASN B 10 30.940 12.773 54.406 1.00 19.26 O ATOM 1189 ND2 ASN B 10 31.337 14.547 55.733 1.00 18.97 N ATOM 1190 HD22 ASN B 10 31.436 15.579 55.812 1.00 0.00 H ATOM 1191 HD21 ASN B 10 31.449 13.948 56.576 1.00 0.00 H ATOM 1192 H ASN B 10 30.067 16.197 51.257 1.00 0.00 H ATOM 1193 N GLU B 11 28.999 12.412 51.559 1.00 15.55 N ATOM 1194 CA GLU B 11 27.712 11.744 51.549 1.00 14.20 C ATOM 1195 C GLU B 11 27.335 11.195 52.920 1.00 14.15 C ATOM 1196 O GLU B 11 26.157 11.130 53.264 1.00 15.92 O ATOM 1197 CB GLU B 11 27.715 10.618 50.488 1.00 16.06 C ATOM 1198 CG GLU B 11 26.388 9.928 50.357 1.00 16.64 C ATOM 1199 CD GLU B 11 26.292 9.046 49.107 1.00 19.86 C ATOM 1200 OE1 GLU B 11 27.327 8.785 48.462 1.00 22.77 O ATOM 1201 OE2 GLU B 11 25.170 8.642 48.773 1.00 21.37 O ATOM 1202 H GLU B 11 29.797 12.014 51.023 1.00 0.00 H ATOM 1203 N ALA B 12 28.316 10.787 53.709 1.00 16.13 N ATOM 1204 CA ALA B 12 28.026 10.245 55.036 1.00 19.21 C ATOM 1205 C ALA B 12 27.609 11.319 56.029 1.00 17.09 C ATOM 1206 O ALA B 12 27.013 11.018 57.069 1.00 23.52 O ATOM 1207 CB ALA B 12 29.223 9.472 55.575 1.00 22.43 C ATOM 1208 H ALA B 12 29.301 10.852 53.383 1.00 0.00 H ATOM 1209 N GLY B 13 27.919 12.562 55.698 1.00 15.27 N ATOM 1210 CA GLY B 13 27.615 13.657 56.616 1.00 17.23 C ATOM 1211 C GLY B 13 28.719 13.929 57.618 1.00 17.82 C ATOM 1212 O GLY B 13 29.621 13.111 57.870 1.00 17.65 O ATOM 1213 H GLY B 13 28.378 12.759 54.786 1.00 0.00 H ATOM 1214 N GLN B 14 28.610 15.098 58.236 1.00 15.50 N ATOM 1215 CA GLN B 14 29.572 15.555 59.216 1.00 14.84 C ATOM 1216 C GLN B 14 29.012 15.357 60.612 1.00 15.79 C ATOM 1217 O GLN B 14 28.018 15.976 60.985 1.00 15.06 O ATOM 1218 CB GLN B 14 29.864 17.031 58.955 1.00 15.97 C ATOM 1219 CG GLN B 14 30.802 17.641 59.958 1.00 18.41 C ATOM 1220 CD GLN B 14 32.164 17.027 59.884 1.00 18.85 C ATOM 1221 OE1 GLN B 14 32.781 16.976 58.812 1.00 21.60 O ATOM 1222 NE2 GLN B 14 32.633 16.515 61.004 1.00 21.68 N ATOM 1223 HE22 GLN B 14 32.077 16.583 61.880 1.00 0.00 H ATOM 1224 HE21 GLN B 14 33.560 16.043 61.012 1.00 0.00 H ATOM 1225 H GLN B 14 27.801 15.710 58.007 1.00 0.00 H ATOM 1226 N VAL B 15 29.611 14.457 61.379 1.00 15.60 N ATOM 1227 CA VAL B 15 29.198 14.287 62.770 1.00 16.89 C ATOM 1228 C VAL B 15 29.685 15.493 63.574 1.00 16.48 C ATOM 1229 O VAL B 15 30.780 16.020 63.339 1.00 21.61 O ATOM 1230 CB VAL B 15 29.714 12.942 63.362 1.00 20.71 C ATOM 1231 CG1 VAL B 15 29.070 12.640 64.713 1.00 21.50 C ATOM 1232 CG2 VAL B 15 29.422 11.792 62.400 1.00 27.03 C ATOM 1233 H VAL B 15 30.377 13.871 60.990 1.00 0.00 H ATOM 1234 N THR B 16 28.832 15.982 64.463 1.00 15.97 N ATOM 1235 CA THR B 16 29.183 17.082 65.354 1.00 17.02 C ATOM 1236 C THR B 16 29.393 16.524 66.745 1.00 17.89 C ATOM 1237 O THR B 16 29.167 15.336 66.984 1.00 18.60 O ATOM 1238 CB THR B 16 28.073 18.148 65.388 1.00 16.15 C ATOM 1239 OG1 THR B 16 26.941 17.643 66.106 1.00 15.56 O ATOM 1240 CG2 THR B 16 27.669 18.532 63.954 1.00 15.30 C ATOM 1241 HG1 THR B 16 26.602 16.829 65.655 1.00 0.00 H ATOM 1242 H THR B 16 27.880 15.567 64.527 1.00 0.00 H ATOM 1243 N SER B 17 29.759 17.409 67.667 1.00 16.93 N ATOM 1244 CA SER B 17 29.970 17.032 69.055 1.00 20.02 C ATOM 1245 C SER B 17 28.682 17.181 69.850 1.00 19.67 C ATOM 1246 O SER B 17 28.671 16.961 71.063 1.00 20.50 O ATOM 1247 CB SER B 17 31.054 17.930 69.667 1.00 20.07 C ATOM 1248 OG SER B 17 30.653 19.297 69.685 1.00 22.00 O ATOM 1249 HG SER B 17 31.373 19.846 70.085 1.00 0.00 H ATOM 1250 H SER B 17 29.899 18.401 67.387 1.00 0.00 H ATOM 1251 N ILE B 18 27.598 17.573 69.197 1.00 17.22 N ATOM 1252 CA ILE B 18 26.334 17.849 69.861 1.00 14.85 C ATOM 1253 C ILE B 18 25.480 16.605 69.953 1.00 16.40 C ATOM 1254 O ILE B 18 25.195 15.970 68.932 1.00 16.91 O ATOM 1255 CB ILE B 18 25.510 18.924 69.122 1.00 17.11 C ATOM 1256 CG1 ILE B 18 26.352 20.171 68.847 1.00 18.93 C ATOM 1257 CG2 ILE B 18 24.227 19.252 69.921 1.00 19.49 C ATOM 1258 CD1 ILE B 18 26.745 20.946 70.102 1.00 23.21 C ATOM 1259 H ILE B 18 27.653 17.688 68.165 1.00 0.00 H ATOM 1260 N ILE B 19 25.143 16.204 71.175 1.00 16.13 N ATOM 1261 CA ILE B 19 24.161 15.170 71.367 1.00 16.30 C ATOM 1262 C ILE B 19 22.869 15.819 71.772 1.00 15.31 C ATOM 1263 O ILE B 19 22.804 16.448 72.846 1.00 15.34 O ATOM 1264 CB ILE B 19 24.578 14.205 72.489 1.00 18.79 C ATOM 1265 CG1 ILE B 19 26.008 13.738 72.263 1.00 22.73 C ATOM 1266 CG2 ILE B 19 23.585 13.061 72.596 1.00 20.40 C ATOM 1267 CD1 ILE B 19 26.203 12.975 70.992 1.00 26.67 C ATOM 1268 H ILE B 19 25.595 16.643 72.002 1.00 0.00 H ATOM 1269 N TYR B 20 21.837 15.707 70.958 1.00 16.31 N ATOM 1270 CA TYR B 20 20.545 16.264 71.292 1.00 14.69 C ATOM 1271 C TYR B 20 19.839 15.350 72.275 1.00 14.84 C ATOM 1272 O TYR B 20 19.566 14.188 71.957 1.00 16.29 O ATOM 1273 CB TYR B 20 19.687 16.470 70.011 1.00 14.86 C ATOM 1274 CG TYR B 20 18.375 17.127 70.348 1.00 14.55 C ATOM 1275 CD1 TYR B 20 17.296 16.385 70.820 1.00 16.68 C ATOM 1276 CD2 TYR B 20 18.242 18.517 70.303 1.00 14.80 C ATOM 1277 CE1 TYR B 20 16.123 16.990 71.220 1.00 15.20 C ATOM 1278 CE2 TYR B 20 17.074 19.127 70.683 1.00 14.88 C ATOM 1279 CZ TYR B 20 16.024 18.374 71.153 1.00 15.71 C ATOM 1280 OH TYR B 20 14.863 18.985 71.557 1.00 16.57 O ATOM 1281 HH TYR B 20 15.061 19.608 72.300 1.00 0.00 H ATOM 1282 H TYR B 20 21.955 15.206 70.054 1.00 0.00 H ATOM 1283 N ASN B 21 19.522 15.888 73.452 1.00 13.80 N ATOM 1284 CA ASN B 21 18.834 15.132 74.497 1.00 14.75 C ATOM 1285 C ASN B 21 17.412 15.652 74.669 1.00 15.02 C ATOM 1286 O ASN B 21 17.134 16.818 74.380 1.00 16.21 O ATOM 1287 CB ASN B 21 19.595 15.267 75.817 1.00 15.70 C ATOM 1288 CG ASN B 21 20.993 14.769 75.713 1.00 15.44 C ATOM 1289 OD1 ASN B 21 21.218 13.635 75.256 1.00 18.39 O ATOM 1290 ND2 ASN B 21 21.964 15.594 76.081 1.00 15.53 N ATOM 1291 HD22 ASN B 21 21.732 16.535 76.459 1.00 0.00 H ATOM 1292 HD21 ASN B 21 22.958 15.300 75.992 1.00 0.00 H ATOM 1293 H ASN B 21 19.773 16.881 73.634 1.00 0.00 H ATOM 1294 N PRO B 22 16.489 14.798 75.135 1.00 16.49 N ATOM 1295 CA PRO B 22 15.112 15.244 75.338 1.00 17.45 C ATOM 1296 C PRO B 22 15.048 16.542 76.136 1.00 17.30 C ATOM 1297 O PRO B 22 15.706 16.691 77.175 1.00 17.86 O ATOM 1298 CB PRO B 22 14.491 14.088 76.126 1.00 19.84 C ATOM 1299 CG PRO B 22 15.207 12.907 75.602 1.00 21.37 C ATOM 1300 CD PRO B 22 16.638 13.356 75.420 1.00 18.10 C ATOM 1301 N GLY B 23 14.251 17.475 75.628 1.00 17.76 N ATOM 1302 CA GLY B 23 14.061 18.763 76.260 1.00 18.39 C ATOM 1303 C GLY B 23 15.039 19.830 75.799 1.00 15.37 C ATOM 1304 O GLY B 23 14.864 21.006 76.136 1.00 17.24 O ATOM 1305 H GLY B 23 13.744 17.272 74.743 1.00 0.00 H ATOM 1306 N ASP B 24 16.090 19.442 75.081 1.00 14.50 N ATOM 1307 CA ASP B 24 17.072 20.429 74.659 1.00 14.60 C ATOM 1308 C ASP B 24 16.469 21.446 73.703 1.00 15.33 C ATOM 1309 O ASP B 24 15.589 21.145 72.886 1.00 15.91 O ATOM 1310 CB ASP B 24 18.269 19.782 73.960 1.00 14.68 C ATOM 1311 CG ASP B 24 19.259 19.158 74.924 1.00 13.21 C ATOM 1312 OD1 ASP B 24 19.135 19.372 76.154 1.00 15.26 O ATOM 1313 OD2 ASP B 24 20.206 18.506 74.455 1.00 14.44 O ATOM 1314 H ASP B 24 16.208 18.441 74.824 1.00 0.00 H ATOM 1315 N VAL B 25 16.946 22.667 73.842 1.00 12.92 N ATOM 1316 CA VAL B 25 16.663 23.729 72.890 1.00 14.01 C ATOM 1317 C VAL B 25 17.978 24.060 72.192 1.00 12.14 C ATOM 1318 O VAL B 25 19.007 24.241 72.856 1.00 13.87 O ATOM 1319 CB VAL B 25 16.141 24.973 73.623 1.00 13.36 C ATOM 1320 CG1 VAL B 25 15.825 26.083 72.606 1.00 15.67 C ATOM 1321 CG2 VAL B 25 14.884 24.642 74.434 1.00 14.28 C ATOM 1322 H VAL B 25 17.547 22.879 74.664 1.00 0.00 H ATOM 1323 N ILE B 26 17.975 24.128 70.839 1.00 12.47 N ATOM 1324 CA ILE B 26 19.211 24.386 70.117 1.00 12.93 C ATOM 1325 C ILE B 26 19.053 25.488 69.086 1.00 11.43 C ATOM 1326 O ILE B 26 17.943 25.786 68.634 1.00 13.22 O ATOM 1327 CB ILE B 26 19.774 23.132 69.412 1.00 13.44 C ATOM 1328 CG1 ILE B 26 18.817 22.632 68.324 1.00 15.94 C ATOM 1329 CG2 ILE B 26 20.074 22.026 70.430 1.00 13.79 C ATOM 1330 CD1 ILE B 26 19.395 21.521 67.451 1.00 15.68 C ATOM 1331 H ILE B 26 17.086 23.995 70.315 1.00 0.00 H ATOM 1332 N THR B 27 20.175 26.105 68.799 1.00 11.46 N ATOM 1333 CA THR B 27 20.244 27.088 67.727 1.00 11.45 C ATOM 1334 C THR B 27 21.358 26.675 66.782 1.00 12.27 C ATOM 1335 O THR B 27 22.435 26.254 67.179 1.00 12.09 O ATOM 1336 CB THR B 27 20.434 28.520 68.278 1.00 13.27 C ATOM 1337 OG1 THR B 27 19.219 28.931 68.918 1.00 14.56 O ATOM 1338 CG2 THR B 27 20.732 29.533 67.158 1.00 14.88 C ATOM 1339 HG1 THR B 27 19.012 28.309 69.660 1.00 0.00 H ATOM 1340 H THR B 27 21.031 25.888 69.348 1.00 0.00 H ATOM 1341 N ILE B 28 21.071 26.798 65.480 1.00 10.64 N ATOM 1342 CA ILE B 28 22.023 26.516 64.405 1.00 11.15 C ATOM 1343 C ILE B 28 22.048 27.719 63.480 1.00 10.22 C ATOM 1344 O ILE B 28 20.989 28.261 63.160 1.00 11.48 O ATOM 1345 CB ILE B 28 21.598 25.248 63.597 1.00 11.38 C ATOM 1346 CG1 ILE B 28 21.445 24.044 64.525 1.00 13.21 C ATOM 1347 CG2 ILE B 28 22.649 24.904 62.501 1.00 13.23 C ATOM 1348 CD1 ILE B 28 21.195 22.703 63.801 1.00 15.08 C ATOM 1349 H ILE B 28 20.115 27.112 65.217 1.00 0.00 H ATOM 1350 N VAL B 29 23.236 28.180 63.104 1.00 10.95 N ATOM 1351 CA VAL B 29 23.345 29.146 62.011 1.00 11.40 C ATOM 1352 C VAL B 29 24.317 28.543 60.993 1.00 10.51 C ATOM 1353 O VAL B 29 25.415 28.114 61.343 1.00 12.03 O ATOM 1354 CB VAL B 29 23.919 30.473 62.509 1.00 12.03 C ATOM 1355 CG1 VAL B 29 24.067 31.473 61.385 1.00 15.20 C ATOM 1356 CG2 VAL B 29 23.034 31.075 63.602 1.00 14.34 C ATOM 1357 H VAL B 29 24.095 27.852 63.590 1.00 0.00 H ATOM 1358 N ALA B 30 23.928 28.541 59.711 1.00 10.46 N ATOM 1359 CA ALA B 30 24.764 27.978 58.634 1.00 9.95 C ATOM 1360 C ALA B 30 25.014 29.031 57.586 1.00 10.86 C ATOM 1361 O ALA B 30 24.107 29.787 57.266 1.00 11.66 O ATOM 1362 CB ALA B 30 24.066 26.771 57.999 1.00 12.55 C ATOM 1363 H ALA B 30 23.004 28.951 59.467 1.00 0.00 H ATOM 1364 N ALA B 31 26.223 29.045 57.037 1.00 11.29 N ATOM 1365 CA ALA B 31 26.581 30.013 56.011 1.00 10.57 C ATOM 1366 C ALA B 31 27.472 29.379 54.982 1.00 11.02 C ATOM 1367 O ALA B 31 28.066 28.348 55.227 1.00 12.51 O ATOM 1368 CB ALA B 31 27.300 31.213 56.645 1.00 13.05 C ATOM 1369 H ALA B 31 26.930 28.348 57.347 1.00 0.00 H ATOM 1370 N GLY B 32 27.549 30.009 53.821 1.00 11.29 N ATOM 1371 CA GLY B 32 28.503 29.610 52.794 1.00 11.84 C ATOM 1372 C GLY B 32 27.875 29.210 51.481 1.00 10.89 C ATOM 1373 O GLY B 32 26.661 29.390 51.252 1.00 10.83 O ATOM 1374 H GLY B 32 26.912 30.810 53.636 1.00 0.00 H ATOM 1375 N TRP B 33 28.698 28.606 50.626 1.00 11.38 N ATOM 1376 CA TRP B 33 28.362 28.388 49.228 1.00 11.33 C ATOM 1377 C TRP B 33 28.779 26.988 48.806 1.00 11.40 C ATOM 1378 O TRP B 33 29.917 26.585 49.054 1.00 12.72 O ATOM 1379 CB TRP B 33 29.057 29.425 48.342 1.00 13.69 C ATOM 1380 CG TRP B 33 28.669 30.826 48.642 1.00 12.21 C ATOM 1381 CD1 TRP B 33 29.416 31.742 49.341 1.00 14.65 C ATOM 1382 CD2 TRP B 33 27.439 31.461 48.322 1.00 12.78 C ATOM 1383 NE1 TRP B 33 28.730 32.923 49.438 1.00 15.29 N ATOM 1384 CE2 TRP B 33 27.503 32.772 48.853 1.00 12.72 C ATOM 1385 CE3 TRP B 33 26.272 31.050 47.684 1.00 15.64 C ATOM 1386 CZ2 TRP B 33 26.489 33.694 48.680 1.00 14.79 C ATOM 1387 CZ3 TRP B 33 25.232 31.970 47.548 1.00 16.75 C ATOM 1388 CH2 TRP B 33 25.351 33.275 48.066 1.00 14.71 C ATOM 1389 HE1 TRP B 33 29.084 33.793 49.884 1.00 0.00 H ATOM 1390 H TRP B 33 29.621 28.276 50.973 1.00 0.00 H ATOM 1391 N ALA B 34 27.863 26.278 48.148 1.00 11.46 N ATOM 1392 CA ALA B 34 28.144 24.908 47.738 1.00 12.57 C ATOM 1393 C ALA B 34 27.375 24.570 46.483 1.00 12.75 C ATOM 1394 O ALA B 34 26.433 25.268 46.099 1.00 12.80 O ATOM 1395 CB ALA B 34 27.776 23.946 48.861 1.00 12.47 C ATOM 1396 H ALA B 34 26.941 26.705 47.925 1.00 0.00 H ATOM 1397 N SER B 35 27.763 23.471 45.841 1.00 12.56 N ATOM 1398 CA SER B 35 27.098 23.029 44.619 1.00 12.77 C ATOM 1399 C SER B 35 26.915 21.530 44.630 1.00 12.19 C ATOM 1400 O SER B 35 27.734 20.791 45.145 1.00 13.08 O ATOM 1401 CB SER B 35 27.877 23.435 43.385 1.00 13.37 C ATOM 1402 OG SER B 35 27.257 22.833 42.232 1.00 14.00 O ATOM 1403 HG SER B 35 27.757 23.091 41.417 1.00 0.00 H ATOM 1404 H SER B 35 28.557 22.915 46.218 1.00 0.00 H ATOM 1405 N TYR B 36 25.804 21.099 44.029 1.00 13.15 N ATOM 1406 CA TYR B 36 25.535 19.673 43.829 1.00 12.00 C ATOM 1407 C TYR B 36 26.028 19.209 42.455 1.00 13.43 C ATOM 1408 O TYR B 36 25.744 18.090 42.055 1.00 13.52 O ATOM 1409 CB TYR B 36 24.023 19.410 43.947 1.00 14.01 C ATOM 1410 CG TYR B 36 23.171 20.264 43.049 1.00 13.59 C ATOM 1411 CD1 TYR B 36 22.741 21.540 43.433 1.00 14.46 C ATOM 1412 CD2 TYR B 36 22.794 19.796 41.787 1.00 14.77 C ATOM 1413 CE1 TYR B 36 21.959 22.319 42.588 1.00 13.86 C ATOM 1414 CE2 TYR B 36 22.039 20.554 40.952 1.00 15.56 C ATOM 1415 CZ TYR B 36 21.616 21.814 41.326 1.00 15.62 C ATOM 1416 OH TYR B 36 20.853 22.576 40.482 1.00 16.68 O ATOM 1417 HH TYR B 36 20.647 23.441 40.916 1.00 0.00 H ATOM 1418 H TYR B 36 25.109 21.796 43.693 1.00 0.00 H ATOM 1419 N GLY B 37 26.754 20.045 41.743 1.00 13.18 N ATOM 1420 CA GLY B 37 27.264 19.609 40.426 1.00 14.16 C ATOM 1421 C GLY B 37 27.572 20.777 39.513 1.00 16.13 C ATOM 1422 O GLY B 37 28.672 20.876 38.960 1.00 17.69 O ATOM 1423 H GLY B 37 26.966 20.998 42.102 1.00 0.00 H ATOM 1424 N PRO B 38 26.608 21.679 39.322 1.00 14.87 N ATOM 1425 CA PRO B 38 26.817 22.831 38.438 1.00 16.33 C ATOM 1426 C PRO B 38 27.938 23.768 38.853 1.00 19.41 C ATOM 1427 O PRO B 38 28.383 23.728 40.002 1.00 17.76 O ATOM 1428 CB PRO B 38 25.469 23.547 38.465 1.00 18.31 C ATOM 1429 CG PRO B 38 24.496 22.458 38.740 1.00 17.57 C ATOM 1430 CD PRO B 38 25.198 21.546 39.718 1.00 15.82 C ATOM 1431 N THR B 39 28.400 24.603 37.924 1.00 18.87 N ATOM 1432 CA THR B 39 29.450 25.558 38.245 1.00 19.05 C ATOM 1433 C THR B 39 28.951 26.623 39.226 1.00 20.42 C ATOM 1434 O THR B 39 29.722 27.149 40.013 1.00 25.37 O ATOM 1435 CB THR B 39 30.042 26.200 36.975 1.00 24.93 C ATOM 1436 OG1 THR B 39 29.017 26.905 36.271 1.00 38.24 O ATOM 1437 CG2 THR B 39 30.583 25.109 36.086 1.00 26.42 C ATOM 1438 HG1 THR B 39 28.299 26.273 36.016 1.00 0.00 H ATOM 1439 H THR B 39 28.007 24.572 36.962 1.00 0.00 H ATOM 1440 N GLN B 40 27.662 26.931 39.161 1.00 17.20 N ATOM 1441 CA GLN B 40 27.041 27.867 40.108 1.00 14.75 C ATOM 1442 C GLN B 40 27.102 27.287 41.513 1.00 13.71 C ATOM 1443 O GLN B 40 27.259 26.089 41.690 1.00 15.47 O ATOM 1444 CB GLN B 40 25.578 28.062 39.704 1.00 17.23 C ATOM 1445 CG GLN B 40 24.780 29.080 40.515 1.00 29.27 C ATOM 1446 CD GLN B 40 23.404 29.369 39.913 1.00 36.51 C ATOM 1447 OE1 GLN B 40 23.045 28.828 38.859 1.00 36.77 O ATOM 1448 NE2 GLN B 40 22.630 30.227 40.579 1.00 32.99 N ATOM 1449 HE22 GLN B 40 22.972 30.659 41.461 1.00 0.00 H ATOM 1450 HE21 GLN B 40 21.685 30.464 40.216 1.00 0.00 H ATOM 1451 H GLN B 40 27.075 26.498 38.419 1.00 0.00 H ATOM 1452 N LYS B 41 26.985 28.152 42.527 1.00 13.24 N ATOM 1453 CA LYS B 41 26.816 27.699 43.892 1.00 13.05 C ATOM 1454 C LYS B 41 25.602 28.337 44.508 1.00 12.05 C ATOM 1455 O LYS B 41 25.161 29.406 44.097 1.00 13.33 O ATOM 1456 CB LYS B 41 28.056 28.005 44.726 1.00 14.59 C ATOM 1457 CG LYS B 41 29.235 27.065 44.364 1.00 15.93 C ATOM 1458 CD LYS B 41 30.488 27.342 45.192 1.00 20.24 C ATOM 1459 CE LYS B 41 31.489 26.169 45.097 1.00 20.19 C ATOM 1460 NZ LYS B 41 31.984 25.960 43.714 1.00 28.30 N ATOM 1461 HZ1 LYS B 41 31.181 25.750 43.088 1.00 0.00 H ATOM 1462 HZ2 LYS B 41 32.465 26.821 43.385 1.00 0.00 H ATOM 1463 HZ3 LYS B 41 32.652 25.163 43.703 1.00 0.00 H ATOM 1464 H LYS B 41 27.016 29.173 42.330 1.00 0.00 H ATOM 1465 N TRP B 42 25.130 27.665 45.551 1.00 11.49 N ATOM 1466 CA TRP B 42 23.922 28.049 46.295 1.00 11.10 C ATOM 1467 C TRP B 42 24.233 28.077 47.780 1.00 10.49 C ATOM 1468 O TRP B 42 25.168 27.418 48.243 1.00 11.35 O ATOM 1469 CB TRP B 42 22.756 27.064 46.042 1.00 10.59 C ATOM 1470 CG TRP B 42 22.258 27.112 44.614 1.00 11.47 C ATOM 1471 CD1 TRP B 42 21.205 27.835 44.150 1.00 11.46 C ATOM 1472 CD2 TRP B 42 22.804 26.415 43.477 1.00 12.97 C ATOM 1473 NE1 TRP B 42 21.066 27.646 42.782 1.00 13.57 N ATOM 1474 CE2 TRP B 42 22.039 26.782 42.358 1.00 13.45 C ATOM 1475 CE3 TRP B 42 23.870 25.526 43.310 1.00 12.81 C ATOM 1476 CZ2 TRP B 42 22.283 26.271 41.080 1.00 14.37 C ATOM 1477 CZ3 TRP B 42 24.115 25.021 42.033 1.00 14.47 C ATOM 1478 CH2 TRP B 42 23.329 25.406 40.945 1.00 17.01 C ATOM 1479 HE1 TRP B 42 20.343 28.088 42.179 1.00 0.00 H ATOM 1480 H TRP B 42 25.646 26.816 45.860 1.00 0.00 H ATOM 1481 N GLY B 43 23.464 28.874 48.511 1.00 10.79 N ATOM 1482 CA GLY B 43 23.563 28.915 49.969 1.00 9.96 C ATOM 1483 C GLY B 43 22.854 27.743 50.616 1.00 11.04 C ATOM 1484 O GLY B 43 22.447 26.782 49.946 1.00 11.24 O ATOM 1485 H GLY B 43 22.772 29.486 48.034 1.00 0.00 H ATOM 1486 N PRO B 44 22.720 27.765 51.942 1.00 10.51 N ATOM 1487 CA PRO B 44 22.222 26.601 52.684 1.00 10.52 C ATOM 1488 C PRO B 44 20.742 26.290 52.519 1.00 10.17 C ATOM 1489 O PRO B 44 20.318 25.239 53.001 1.00 10.71 O ATOM 1490 CB PRO B 44 22.605 26.882 54.140 1.00 13.29 C ATOM 1491 CG PRO B 44 23.039 28.261 54.205 1.00 13.80 C ATOM 1492 CD PRO B 44 23.288 28.809 52.812 1.00 10.87 C ATOM 1493 N GLN B 45 19.987 27.112 51.793 1.00 10.69 N ATOM 1494 CA GLN B 45 18.638 26.725 51.408 1.00 10.68 C ATOM 1495 C GLN B 45 18.628 25.973 50.079 1.00 11.72 C ATOM 1496 O GLN B 45 17.584 25.478 49.681 1.00 11.55 O ATOM 1497 CB GLN B 45 17.704 27.942 51.265 1.00 11.30 C ATOM 1498 CG GLN B 45 17.660 28.745 52.564 1.00 11.31 C ATOM 1499 CD GLN B 45 16.797 30.001 52.477 1.00 11.79 C ATOM 1500 OE1 GLN B 45 15.987 30.246 53.362 1.00 13.53 O ATOM 1501 NE2 GLN B 45 16.954 30.794 51.424 1.00 12.45 N ATOM 1502 HE22 GLN B 45 17.652 30.554 50.692 1.00 0.00 H ATOM 1503 HE21 GLN B 45 16.379 31.655 51.331 1.00 0.00 H ATOM 1504 H GLN B 45 20.363 28.036 51.499 1.00 0.00 H ATOM 1505 N GLY B 46 19.773 25.884 49.407 1.00 10.58 N ATOM 1506 CA GLY B 46 19.823 25.132 48.161 1.00 11.16 C ATOM 1507 C GLY B 46 19.248 25.875 46.976 1.00 10.91 C ATOM 1508 O GLY B 46 19.147 27.095 46.937 1.00 11.49 O ATOM 1509 H GLY B 46 20.629 26.350 49.770 1.00 0.00 H ATOM 1510 N ASP B 47 18.890 25.075 45.970 1.00 11.66 N ATOM 1511 CA ASP B 47 18.480 25.555 44.649 1.00 12.28 C ATOM 1512 C ASP B 47 16.982 25.366 44.509 1.00 11.97 C ATOM 1513 O ASP B 47 16.502 24.238 44.289 1.00 14.25 O ATOM 1514 CB ASP B 47 19.212 24.771 43.563 1.00 13.53 C ATOM 1515 CG ASP B 47 18.828 25.212 42.158 1.00 14.26 C ATOM 1516 OD1 ASP B 47 17.963 26.103 41.999 1.00 14.86 O ATOM 1517 OD2 ASP B 47 19.395 24.649 41.196 1.00 15.96 O ATOM 1518 H ASP B 47 18.903 24.048 46.134 1.00 0.00 H ATOM 1519 N ARG B 48 16.244 26.457 44.625 1.00 12.84 N ATOM 1520 CA ARG B 48 14.786 26.409 44.621 1.00 13.62 C ATOM 1521 C ARG B 48 14.205 26.053 43.245 1.00 17.34 C ATOM 1522 O ARG B 48 13.000 25.793 43.139 1.00 18.92 O ATOM 1523 CB ARG B 48 14.223 27.751 45.093 1.00 14.92 C ATOM 1524 CG ARG B 48 14.545 28.920 44.156 1.00 16.97 C ATOM 1525 CD ARG B 48 14.272 30.272 44.820 1.00 18.80 C ATOM 1526 NE ARG B 48 12.870 30.485 45.168 1.00 22.82 N ATOM 1527 CZ ARG B 48 11.987 31.120 44.400 1.00 29.23 C ATOM 1528 NH1 ARG B 48 12.350 31.596 43.218 1.00 23.23 N ATOM 1529 NH2 ARG B 48 10.738 31.281 44.819 1.00 28.47 N ATOM 1530 HE ARG B 48 12.537 30.114 46.081 1.00 0.00 H ATOM 1531 HH12 ARG B 48 11.657 32.091 42.622 1.00 0.00 H ATOM 1532 HH11 ARG B 48 13.328 31.474 42.887 1.00 0.00 H ATOM 1533 HH22 ARG B 48 10.048 31.777 44.219 1.00 0.00 H ATOM 1534 HH21 ARG B 48 10.449 30.911 45.747 1.00 0.00 H ATOM 1535 H ARG B 48 16.718 27.378 44.722 1.00 0.00 H ATOM 1536 N GLU B 49 15.049 26.024 42.222 1.00 14.72 N ATOM 1537 CA GLU B 49 14.586 25.751 40.853 1.00 16.84 C ATOM 1538 C GLU B 49 14.828 24.332 40.389 1.00 18.98 C ATOM 1539 O GLU B 49 14.380 23.957 39.296 1.00 20.56 O ATOM 1540 CB GLU B 49 15.230 26.730 39.883 1.00 17.86 C ATOM 1541 CG GLU B 49 14.800 28.163 40.170 1.00 20.63 C ATOM 1542 CD GLU B 49 15.256 29.167 39.133 1.00 45.66 C ATOM 1543 OE1 GLU B 49 16.059 28.801 38.249 1.00 54.81 O ATOM 1544 OE2 GLU B 49 14.806 30.332 39.212 1.00 48.22 O ATOM 1545 H GLU B 49 16.060 26.198 42.392 1.00 0.00 H ATOM 1546 N HIS B 50 15.535 23.540 41.180 1.00 15.90 N ATOM 1547 CA HIS B 50 15.937 22.211 40.764 1.00 15.78 C ATOM 1548 C HIS B 50 14.953 21.149 41.246 1.00 16.88 C ATOM 1549 O HIS B 50 14.591 21.117 42.417 1.00 17.20 O ATOM 1550 CB HIS B 50 17.350 21.931 41.278 1.00 16.75 C ATOM 1551 CG HIS B 50 17.952 20.674 40.743 1.00 14.57 C ATOM 1552 ND1 HIS B 50 18.248 20.518 39.406 1.00 20.93 N ATOM 1553 CD2 HIS B 50 18.315 19.524 41.351 1.00 17.85 C ATOM 1554 CE1 HIS B 50 18.770 19.319 39.218 1.00 18.51 C ATOM 1555 NE2 HIS B 50 18.820 18.695 40.379 1.00 18.28 N ATOM 1556 H HIS B 50 15.809 23.880 42.124 1.00 0.00 H ATOM 1557 N PRO B 51 14.512 20.250 40.346 1.00 16.03 N ATOM 1558 CA PRO B 51 13.568 19.220 40.791 1.00 14.98 C ATOM 1559 C PRO B 51 14.222 18.259 41.759 1.00 15.89 C ATOM 1560 O PRO B 51 15.421 18.012 41.636 1.00 17.83 O ATOM 1561 CB PRO B 51 13.219 18.475 39.488 1.00 19.82 C ATOM 1562 CG PRO B 51 14.331 18.806 38.560 1.00 25.64 C ATOM 1563 CD PRO B 51 14.721 20.204 38.883 1.00 17.77 C ATOM 1564 N ASP B 52 13.438 17.718 42.692 1.00 15.81 N ATOM 1565 CA ASP B 52 13.846 16.641 43.574 1.00 14.63 C ATOM 1566 C ASP B 52 13.851 15.350 42.752 1.00 17.54 C ATOM 1567 O ASP B 52 12.804 14.914 42.285 1.00 18.52 O ATOM 1568 CB ASP B 52 12.819 16.563 44.703 1.00 15.09 C ATOM 1569 CG ASP B 52 13.128 15.497 45.720 1.00 15.31 C ATOM 1570 OD1 ASP B 52 13.961 14.615 45.471 1.00 15.01 O ATOM 1571 OD2 ASP B 52 12.525 15.528 46.820 1.00 16.93 O ATOM 1572 H ASP B 52 12.473 18.092 42.794 1.00 0.00 H ATOM 1573 N GLN B 53 15.027 14.760 42.603 1.00 15.21 N ATOM 1574 CA GLN B 53 15.209 13.505 41.831 1.00 15.75 C ATOM 1575 C GLN B 53 15.632 12.347 42.730 1.00 17.57 C ATOM 1576 O GLN B 53 16.314 11.407 42.300 1.00 17.50 O ATOM 1577 CB GLN B 53 16.243 13.719 40.727 1.00 17.43 C ATOM 1578 CG GLN B 53 15.892 14.855 39.802 1.00 19.45 C ATOM 1579 CD GLN B 53 16.895 15.039 38.668 1.00 29.12 C ATOM 1580 OE1 GLN B 53 16.502 15.159 37.507 1.00 30.74 O ATOM 1581 NE2 GLN B 53 18.191 15.052 38.989 1.00 18.75 N ATOM 1582 HE22 GLN B 53 18.482 14.948 39.982 1.00 0.00 H ATOM 1583 HE21 GLN B 53 18.910 15.167 38.246 1.00 0.00 H ATOM 1584 H GLN B 53 15.861 15.195 43.047 1.00 0.00 H ATOM 1585 N GLY B 54 15.224 12.408 43.998 1.00 13.86 N ATOM 1586 CA GLY B 54 15.557 11.375 44.934 1.00 14.65 C ATOM 1587 C GLY B 54 16.456 11.839 46.088 1.00 13.05 C ATOM 1588 O GLY B 54 17.320 11.103 46.551 1.00 15.01 O ATOM 1589 H GLY B 54 14.654 13.219 44.313 1.00 0.00 H ATOM 1590 N LEU B 55 16.228 13.066 46.563 1.00 14.71 N ATOM 1591 CA LEU B 55 17.055 13.671 47.616 1.00 13.55 C ATOM 1592 C LEU B 55 16.934 12.933 48.923 1.00 15.14 C ATOM 1593 O LEU B 55 15.903 12.327 49.211 1.00 14.19 O ATOM 1594 CB LEU B 55 16.605 15.117 47.813 1.00 16.02 C ATOM 1595 CG LEU B 55 16.822 15.994 46.604 1.00 13.08 C ATOM 1596 CD1 LEU B 55 16.068 17.284 46.783 1.00 14.74 C ATOM 1597 CD2 LEU B 55 18.311 16.214 46.430 1.00 14.18 C ATOM 1598 H LEU B 55 15.435 13.614 46.173 1.00 0.00 H ATOM 1599 N ILE B 56 17.979 13.014 49.753 1.00 14.03 N ATOM 1600 CA ILE B 56 17.916 12.407 51.075 1.00 14.63 C ATOM 1601 C ILE B 56 16.888 13.093 51.966 1.00 12.95 C ATOM 1602 O ILE B 56 16.467 12.509 52.946 1.00 15.05 O ATOM 1603 CB ILE B 56 19.289 12.349 51.775 1.00 15.34 C ATOM 1604 CG1 ILE B 56 19.893 13.747 52.009 1.00 16.18 C ATOM 1605 CG2 ILE B 56 20.260 11.443 51.006 1.00 16.18 C ATOM 1606 CD1 ILE B 56 21.025 13.721 53.069 1.00 13.98 C ATOM 1607 H ILE B 56 18.841 13.513 49.453 1.00 0.00 H ATOM 1608 N CYS B 57 16.532 14.333 51.628 1.00 13.46 N ATOM 1609 CA CYS B 57 15.498 15.058 52.365 1.00 14.48 C ATOM 1610 C CYS B 57 14.540 15.673 51.374 1.00 13.44 C ATOM 1611 O CYS B 57 14.889 16.584 50.644 1.00 14.85 O ATOM 1612 CB CYS B 57 16.100 16.167 53.232 1.00 12.80 C ATOM 1613 SG CYS B 57 14.857 16.965 54.308 1.00 15.34 S ATOM 1614 H CYS B 57 17.000 14.795 50.822 1.00 0.00 H ATOM 1615 N HIS B 58 13.307 15.167 51.340 1.00 14.72 N ATOM 1616 CA HIS B 58 12.314 15.658 50.396 1.00 15.43 C ATOM 1617 C HIS B 58 11.624 16.912 50.864 1.00 18.38 C ATOM 1618 O HIS B 58 10.827 17.485 50.129 1.00 20.19 O ATOM 1619 CB HIS B 58 11.275 14.558 50.126 1.00 16.83 C ATOM 1620 CG HIS B 58 11.866 13.323 49.524 1.00 14.97 C ATOM 1621 ND1 HIS B 58 12.460 13.313 48.278 1.00 15.50 N ATOM 1622 CD2 HIS B 58 11.986 12.066 50.009 1.00 17.75 C ATOM 1623 CE1 HIS B 58 12.919 12.099 48.029 1.00 15.93 C ATOM 1624 NE2 HIS B 58 12.628 11.319 49.049 1.00 17.15 N ATOM 1625 H HIS B 58 13.050 14.406 52.001 1.00 0.00 H ATOM 1626 N ASP B 59 11.962 17.368 52.066 1.00 15.07 N ATOM 1627 CA ASP B 59 11.394 18.596 52.620 1.00 15.86 C ATOM 1628 C ASP B 59 12.333 19.791 52.513 1.00 15.77 C ATOM 1629 O ASP B 59 12.103 20.801 53.180 1.00 15.88 O ATOM 1630 CB ASP B 59 10.997 18.383 54.090 1.00 17.97 C ATOM 1631 CG ASP B 59 9.893 17.360 54.240 1.00 32.35 C ATOM 1632 OD1 ASP B 59 9.033 17.289 53.335 1.00 32.14 O ATOM 1633 OD2 ASP B 59 9.897 16.624 55.248 1.00 38.65 O ATOM 1634 H ASP B 59 12.653 16.834 52.631 1.00 0.00 H ATOM 1635 N ALA B 60 13.401 19.665 51.727 1.00 13.96 N ATOM 1636 CA ALA B 60 14.319 20.778 51.487 1.00 13.25 C ATOM 1637 C ALA B 60 14.798 20.682 50.052 1.00 11.87 C ATOM 1638 O ALA B 60 14.714 19.613 49.439 1.00 13.30 O ATOM 1639 CB ALA B 60 15.496 20.689 52.456 1.00 14.29 C ATOM 1640 H ALA B 60 13.587 18.749 51.271 1.00 0.00 H ATOM 1641 N PHE B 61 15.295 21.776 49.517 1.00 12.18 N ATOM 1642 CA PHE B 61 15.739 21.780 48.132 1.00 12.10 C ATOM 1643 C PHE B 61 17.062 21.063 47.996 1.00 12.22 C ATOM 1644 O PHE B 61 17.810 20.881 48.970 1.00 12.04 O ATOM 1645 CB PHE B 61 15.903 23.214 47.643 1.00 12.27 C ATOM 1646 CG PHE B 61 14.607 23.961 47.527 1.00 13.01 C ATOM 1647 CD1 PHE B 61 13.572 23.451 46.741 1.00 17.93 C ATOM 1648 CD2 PHE B 61 14.446 25.196 48.146 1.00 14.75 C ATOM 1649 CE1 PHE B 61 12.374 24.158 46.612 1.00 19.20 C ATOM 1650 CE2 PHE B 61 13.253 25.911 48.008 1.00 15.74 C ATOM 1651 CZ PHE B 61 12.213 25.384 47.264 1.00 19.20 C ATOM 1652 H PHE B 61 15.371 22.642 50.087 1.00 0.00 H ATOM 1653 N CYS B 62 17.351 20.651 46.762 1.00 11.84 N ATOM 1654 CA CYS B 62 18.670 20.127 46.464 1.00 11.19 C ATOM 1655 C CYS B 62 19.736 21.175 46.782 1.00 11.15 C ATOM 1656 O CYS B 62 19.607 22.333 46.389 1.00 11.86 O ATOM 1657 CB CYS B 62 18.703 19.728 44.984 1.00 13.31 C ATOM 1658 SG CYS B 62 20.251 18.944 44.454 1.00 14.54 S ATOM 1659 H CYS B 62 16.631 20.705 46.013 1.00 0.00 H ATOM 1660 N GLY B 63 20.768 20.757 47.526 1.00 10.96 N ATOM 1661 CA GLY B 63 21.797 21.706 47.917 1.00 11.48 C ATOM 1662 C GLY B 63 21.569 22.387 49.260 1.00 11.52 C ATOM 1663 O GLY B 63 22.362 23.247 49.641 1.00 12.42 O ATOM 1664 H GLY B 63 20.833 19.762 47.821 1.00 0.00 H ATOM 1665 N ALA B 64 20.467 22.058 49.920 1.00 10.59 N ATOM 1666 CA ALA B 64 20.212 22.619 51.238 1.00 9.81 C ATOM 1667 C ALA B 64 20.981 21.848 52.296 1.00 10.89 C ATOM 1668 O ALA B 64 21.342 20.672 52.117 1.00 13.13 O ATOM 1669 CB ALA B 64 18.707 22.557 51.528 1.00 11.28 C ATOM 1670 H ALA B 64 19.784 21.398 49.495 1.00 0.00 H ATOM 1671 N LEU B 65 21.196 22.479 53.453 1.00 10.24 N ATOM 1672 CA LEU B 65 21.714 21.791 54.630 1.00 10.01 C ATOM 1673 C LEU B 65 20.589 21.084 55.371 1.00 10.14 C ATOM 1674 O LEU B 65 19.516 21.662 55.635 1.00 11.01 O ATOM 1675 CB LEU B 65 22.366 22.825 55.565 1.00 10.55 C ATOM 1676 CG LEU B 65 22.991 22.203 56.806 1.00 11.00 C ATOM 1677 CD1 LEU B 65 24.123 21.272 56.426 1.00 13.60 C ATOM 1678 CD2 LEU B 65 23.499 23.340 57.701 1.00 12.77 C ATOM 1679 H LEU B 65 20.987 23.496 53.517 1.00 0.00 H ATOM 1680 N VAL B 66 20.794 19.813 55.694 1.00 9.98 N ATOM 1681 CA VAL B 66 19.834 19.059 56.503 1.00 12.10 C ATOM 1682 C VAL B 66 20.584 18.349 57.628 1.00 9.71 C ATOM 1683 O VAL B 66 21.825 18.441 57.697 1.00 10.80 O ATOM 1684 CB VAL B 66 19.012 18.070 55.635 1.00 11.50 C ATOM 1685 CG1 VAL B 66 18.380 18.834 54.465 1.00 12.67 C ATOM 1686 CG2 VAL B 66 19.887 16.910 55.140 1.00 13.83 C ATOM 1687 H VAL B 66 21.659 19.340 55.364 1.00 0.00 H ATOM 1688 N MET B 67 19.870 17.656 58.499 1.00 11.60 N ATOM 1689 CA MET B 67 20.546 16.966 59.572 1.00 11.43 C ATOM 1690 C MET B 67 19.806 15.683 59.896 1.00 11.80 C ATOM 1691 O MET B 67 18.626 15.508 59.574 1.00 13.02 O ATOM 1692 CB MET B 67 20.643 17.846 60.840 1.00 13.40 C ATOM 1693 CG MET B 67 19.309 18.125 61.492 1.00 12.52 C ATOM 1694 SD MET B 67 19.517 19.133 62.986 1.00 14.97 S ATOM 1695 CE MET B 67 17.799 19.407 63.303 1.00 17.09 C ATOM 1696 H MET B 67 18.835 17.609 58.412 1.00 0.00 H ATOM 1697 N LYS B 68 20.497 14.820 60.611 1.00 12.23 N ATOM 1698 CA LYS B 68 19.864 13.719 61.335 1.00 13.39 C ATOM 1699 C LYS B 68 20.225 13.856 62.796 1.00 13.71 C ATOM 1700 O LYS B 68 21.323 14.309 63.122 1.00 15.53 O ATOM 1701 CB LYS B 68 20.339 12.358 60.819 1.00 14.17 C ATOM 1702 CG LYS B 68 19.878 12.058 59.411 1.00 17.86 C ATOM 1703 CD LYS B 68 20.398 10.700 58.946 1.00 20.16 C ATOM 1704 CE LYS B 68 19.968 10.385 57.530 1.00 31.12 C ATOM 1705 NZ LYS B 68 20.336 8.986 57.138 1.00 32.88 N ATOM 1706 HZ1 LYS B 68 21.368 8.869 57.201 1.00 0.00 H ATOM 1707 HZ2 LYS B 68 19.870 8.313 57.780 1.00 0.00 H ATOM 1708 HZ3 LYS B 68 20.025 8.808 56.162 1.00 0.00 H ATOM 1709 H LYS B 68 21.530 14.925 60.663 1.00 0.00 H ATOM 1710 N ILE B 69 19.302 13.448 63.653 1.00 13.98 N ATOM 1711 CA ILE B 69 19.563 13.413 65.084 1.00 14.24 C ATOM 1712 C ILE B 69 19.453 11.947 65.483 1.00 14.93 C ATOM 1713 O ILE B 69 18.388 11.370 65.375 1.00 17.24 O ATOM 1714 CB ILE B 69 18.549 14.275 65.815 1.00 14.48 C ATOM 1715 CG1 ILE B 69 18.807 15.748 65.462 1.00 18.00 C ATOM 1716 CG2 ILE B 69 18.645 14.077 67.337 1.00 14.82 C ATOM 1717 CD1 ILE B 69 17.839 16.723 66.134 1.00 19.10 C ATOM 1718 H ILE B 69 18.373 13.147 63.297 1.00 0.00 H ATOM 1719 N GLY B 70 20.559 11.381 65.942 1.00 16.29 N ATOM 1720 CA GLY B 70 20.629 9.935 66.128 1.00 19.12 C ATOM 1721 C GLY B 70 20.290 9.284 64.802 1.00 20.22 C ATOM 1722 O GLY B 70 20.817 9.667 63.757 1.00 22.81 O ATOM 1723 H GLY B 70 21.384 11.971 66.172 1.00 0.00 H ATOM 1724 N ASN B 71 19.364 8.340 64.844 1.00 24.23 N ATOM 1725 CA ASN B 71 18.955 7.644 63.628 1.00 29.39 C ATOM 1726 C ASN B 71 17.601 8.110 63.114 1.00 31.46 C ATOM 1727 O ASN B 71 16.842 7.328 62.547 1.00 27.26 O ATOM 1728 CB ASN B 71 18.947 6.130 63.853 1.00 37.95 C ATOM 1729 CG ASN B 71 18.054 5.717 65.005 1.00 57.79 C ATOM 1730 OD1 ASN B 71 17.296 6.528 65.547 1.00 57.54 O ATOM 1731 ND2 ASN B 71 18.138 4.447 65.390 1.00 68.34 N ATOM 1732 HD22 ASN B 71 18.790 3.799 64.905 1.00 0.00 H ATOM 1733 HD21 ASN B 71 17.551 4.102 66.176 1.00 0.00 H ATOM 1734 H ASN B 71 18.923 8.091 65.753 1.00 0.00 H ATOM 1735 N SER B 72 17.293 9.388 63.311 1.00 21.40 N ATOM 1736 CA SER B 72 16.086 9.966 62.756 1.00 19.83 C ATOM 1737 C SER B 72 16.158 10.010 61.225 1.00 16.65 C ATOM 1738 O SER B 72 17.214 9.831 60.645 1.00 20.08 O ATOM 1739 CB SER B 72 15.897 11.399 63.274 1.00 19.02 C ATOM 1740 OG SER B 72 16.840 12.288 62.675 1.00 17.47 O ATOM 1741 HG SER B 72 16.716 12.286 61.693 1.00 0.00 H ATOM 1742 H SER B 72 17.931 9.985 63.875 1.00 0.00 H ATOM 1743 N GLY B 73 15.028 10.295 60.613 1.00 17.29 N ATOM 1744 CA GLY B 73 15.030 10.707 59.229 1.00 17.58 C ATOM 1745 C GLY B 73 15.672 12.090 59.113 1.00 16.06 C ATOM 1746 O GLY B 73 15.956 12.762 60.127 1.00 16.80 O ATOM 1747 H GLY B 73 14.128 10.223 61.129 1.00 0.00 H ATOM 1748 N THR B 74 15.879 12.548 57.896 1.00 15.03 N ATOM 1749 CA THR B 74 16.473 13.860 57.686 1.00 14.91 C ATOM 1750 C THR B 74 15.489 14.959 58.067 1.00 15.32 C ATOM 1751 O THR B 74 14.275 14.842 57.896 1.00 16.80 O ATOM 1752 CB THR B 74 16.871 14.036 56.230 1.00 15.28 C ATOM 1753 OG1 THR B 74 15.748 13.706 55.415 1.00 15.73 O ATOM 1754 CG2 THR B 74 18.052 13.111 55.889 1.00 16.78 C ATOM 1755 HG1 THR B 74 15.990 13.815 54.461 1.00 0.00 H ATOM 1756 H THR B 74 15.615 11.966 57.076 1.00 0.00 H ATOM 1757 N ILE B 75 16.046 16.041 58.597 1.00 13.85 N ATOM 1758 CA ILE B 75 15.287 17.194 59.067 1.00 13.24 C ATOM 1759 C ILE B 75 15.925 18.410 58.411 1.00 12.02 C ATOM 1760 O ILE B 75 17.152 18.571 58.497 1.00 12.85 O ATOM 1761 CB ILE B 75 15.412 17.344 60.593 1.00 15.05 C ATOM 1762 CG1 ILE B 75 14.800 16.123 61.301 1.00 16.20 C ATOM 1763 CG2 ILE B 75 14.764 18.659 61.050 1.00 14.43 C ATOM 1764 CD1 ILE B 75 15.169 16.037 62.785 1.00 17.94 C ATOM 1765 H ILE B 75 17.082 16.068 58.682 1.00 0.00 H ATOM 1766 N PRO B 76 15.135 19.260 57.748 1.00 13.06 N ATOM 1767 CA PRO B 76 15.742 20.460 57.159 1.00 12.86 C ATOM 1768 C PRO B 76 16.373 21.399 58.186 1.00 12.13 C ATOM 1769 O PRO B 76 15.844 21.628 59.287 1.00 13.93 O ATOM 1770 CB PRO B 76 14.557 21.161 56.480 1.00 15.20 C ATOM 1771 CG PRO B 76 13.541 20.064 56.245 1.00 15.73 C ATOM 1772 CD PRO B 76 13.697 19.149 57.439 1.00 13.81 C ATOM 1773 N VAL B 77 17.543 21.924 57.836 1.00 10.51 N ATOM 1774 CA VAL B 77 18.191 22.963 58.637 1.00 9.75 C ATOM 1775 C VAL B 77 18.195 24.261 57.855 1.00 9.75 C ATOM 1776 O VAL B 77 17.920 25.325 58.419 1.00 10.86 O ATOM 1777 CB VAL B 77 19.652 22.593 58.976 1.00 10.45 C ATOM 1778 CG1 VAL B 77 20.339 23.754 59.687 1.00 12.37 C ATOM 1779 CG2 VAL B 77 19.701 21.365 59.871 1.00 13.10 C ATOM 1780 H VAL B 77 18.010 21.587 56.970 1.00 0.00 H ATOM 1781 N ASN B 78 18.507 24.209 56.556 1.00 10.19 N ATOM 1782 CA ASN B 78 18.555 25.412 55.748 1.00 10.21 C ATOM 1783 C ASN B 78 19.528 26.407 56.364 1.00 10.08 C ATOM 1784 O ASN B 78 20.656 26.031 56.671 1.00 10.66 O ATOM 1785 CB ASN B 78 17.142 25.954 55.540 1.00 11.96 C ATOM 1786 CG ASN B 78 16.304 25.020 54.713 1.00 12.96 C ATOM 1787 OD1 ASN B 78 16.697 24.656 53.592 1.00 12.95 O ATOM 1788 ND2 ASN B 78 15.143 24.649 55.217 1.00 14.08 N ATOM 1789 HD22 ASN B 78 14.856 24.979 56.161 1.00 0.00 H ATOM 1790 HD21 ASN B 78 14.514 24.026 54.671 1.00 0.00 H ATOM 1791 H ASN B 78 18.719 23.290 56.118 1.00 0.00 H ATOM 1792 N THR B 79 19.133 27.673 56.492 1.00 10.55 N ATOM 1793 CA THR B 79 20.044 28.665 57.051 1.00 10.93 C ATOM 1794 C THR B 79 20.232 28.505 58.558 1.00 11.47 C ATOM 1795 O THR B 79 21.126 29.129 59.112 1.00 12.09 O ATOM 1796 CB THR B 79 19.542 30.082 56.811 1.00 10.05 C ATOM 1797 OG1 THR B 79 18.239 30.211 57.385 1.00 12.80 O ATOM 1798 CG2 THR B 79 19.462 30.411 55.322 1.00 13.27 C ATOM 1799 HG1 THR B 79 17.903 31.130 57.234 1.00 0.00 H ATOM 1800 H THR B 79 18.177 27.953 56.194 1.00 0.00 H ATOM 1801 N GLY B 80 19.399 27.693 59.204 1.00 9.40 N ATOM 1802 CA GLY B 80 19.537 27.509 60.636 1.00 10.87 C ATOM 1803 C GLY B 80 18.216 27.339 61.311 1.00 11.71 C ATOM 1804 O GLY B 80 17.140 27.389 60.732 1.00 12.34 O ATOM 1805 H GLY B 80 18.651 27.192 58.684 1.00 0.00 H ATOM 1806 N LEU B 81 18.317 27.180 62.629 1.00 11.63 N ATOM 1807 CA LEU B 81 17.159 26.912 63.497 1.00 12.67 C ATOM 1808 C LEU B 81 17.313 27.823 64.711 1.00 12.41 C ATOM 1809 O LEU B 81 18.412 27.976 65.198 1.00 13.37 O ATOM 1810 CB LEU B 81 17.146 25.440 63.947 1.00 15.20 C ATOM 1811 CG LEU B 81 17.103 24.412 62.802 1.00 16.53 C ATOM 1812 CD1 LEU B 81 17.321 22.999 63.330 1.00 22.76 C ATOM 1813 CD2 LEU B 81 15.787 24.487 62.114 1.00 18.22 C ATOM 1814 H LEU B 81 19.258 27.248 63.066 1.00 0.00 H ATOM 1815 N PHE B 82 16.234 28.472 65.124 1.00 11.67 N ATOM 1816 CA PHE B 82 16.307 29.415 66.228 1.00 10.74 C ATOM 1817 C PHE B 82 15.544 28.868 67.421 1.00 11.64 C ATOM 1818 O PHE B 82 14.315 28.711 67.337 1.00 13.00 O ATOM 1819 CB PHE B 82 15.693 30.750 65.783 1.00 12.66 C ATOM 1820 CG PHE B 82 15.798 31.826 66.825 1.00 12.13 C ATOM 1821 CD1 PHE B 82 16.966 32.559 66.959 1.00 13.87 C ATOM 1822 CD2 PHE B 82 14.719 32.108 67.672 1.00 13.00 C ATOM 1823 CE1 PHE B 82 17.059 33.573 67.913 1.00 16.26 C ATOM 1824 CE2 PHE B 82 14.805 33.126 68.627 1.00 13.37 C ATOM 1825 CZ PHE B 82 15.975 33.842 68.747 1.00 14.10 C ATOM 1826 H PHE B 82 15.323 28.304 64.652 1.00 0.00 H ATOM 1827 N ARG B 83 16.272 28.562 68.503 1.00 12.21 N ATOM 1828 CA ARG B 83 15.670 28.093 69.774 1.00 11.60 C ATOM 1829 C ARG B 83 14.659 26.984 69.514 1.00 12.55 C ATOM 1830 O ARG B 83 13.480 27.067 69.851 1.00 15.25 O ATOM 1831 CB ARG B 83 15.078 29.267 70.533 1.00 13.93 C ATOM 1832 CG ARG B 83 16.174 30.258 70.901 1.00 16.19 C ATOM 1833 CD ARG B 83 15.627 31.446 71.673 1.00 21.45 C ATOM 1834 NE ARG B 83 16.673 32.410 71.977 1.00 19.82 N ATOM 1835 CZ ARG B 83 16.441 33.553 72.629 1.00 21.29 C ATOM 1836 NH1 ARG B 83 15.211 33.868 73.007 1.00 25.38 N ATOM 1837 NH2 ARG B 83 17.435 34.376 72.877 1.00 25.02 N ATOM 1838 HE ARG B 83 17.645 32.200 71.673 1.00 0.00 H ATOM 1839 HH12 ARG B 83 15.035 34.759 73.514 1.00 0.00 H ATOM 1840 HH11 ARG B 83 14.421 33.225 72.796 1.00 0.00 H ATOM 1841 HH22 ARG B 83 17.259 35.267 73.384 1.00 0.00 H ATOM 1842 HH21 ARG B 83 18.398 34.137 72.566 1.00 0.00 H ATOM 1843 H ARG B 83 17.306 28.658 68.449 1.00 0.00 H ATOM 1844 N TRP B 84 15.151 25.945 68.855 1.00 12.83 N ATOM 1845 CA TRP B 84 14.360 24.871 68.290 1.00 12.64 C ATOM 1846 C TRP B 84 14.378 23.642 69.190 1.00 13.11 C ATOM 1847 O TRP B 84 15.399 23.284 69.739 1.00 12.92 O ATOM 1848 CB TRP B 84 14.970 24.568 66.920 1.00 14.42 C ATOM 1849 CG TRP B 84 14.338 23.496 66.100 1.00 15.11 C ATOM 1850 CD1 TRP B 84 13.367 23.659 65.142 1.00 16.95 C ATOM 1851 CD2 TRP B 84 14.704 22.115 66.073 1.00 14.02 C ATOM 1852 NE1 TRP B 84 13.083 22.441 64.551 1.00 17.15 N ATOM 1853 CE2 TRP B 84 13.891 21.479 65.094 1.00 16.11 C ATOM 1854 CE3 TRP B 84 15.632 21.350 66.777 1.00 16.50 C ATOM 1855 CZ2 TRP B 84 13.977 20.101 64.823 1.00 16.12 C ATOM 1856 CZ3 TRP B 84 15.729 19.984 66.497 1.00 16.57 C ATOM 1857 CH2 TRP B 84 14.909 19.379 65.514 1.00 18.10 C ATOM 1858 HE1 TRP B 84 12.369 22.282 63.812 1.00 0.00 H ATOM 1859 H TRP B 84 16.183 25.897 68.734 1.00 0.00 H ATOM 1860 N VAL B 85 13.226 22.996 69.230 1.00 14.22 N ATOM 1861 CA VAL B 85 13.047 21.757 69.970 1.00 14.15 C ATOM 1862 C VAL B 85 12.672 20.661 68.987 1.00 17.05 C ATOM 1863 O VAL B 85 11.881 20.889 68.065 1.00 17.98 O ATOM 1864 CB VAL B 85 11.972 21.947 71.075 1.00 16.89 C ATOM 1865 CG1 VAL B 85 11.656 20.631 71.776 1.00 20.99 C ATOM 1866 CG2 VAL B 85 12.446 22.979 72.083 1.00 19.84 C ATOM 1867 H VAL B 85 12.415 23.389 68.712 1.00 0.00 H ATOM 1868 N ALA B 86 13.266 19.490 69.153 1.00 15.95 N ATOM 1869 CA ALA B 86 13.016 18.387 68.228 1.00 19.06 C ATOM 1870 C ALA B 86 11.649 17.745 68.480 1.00 20.32 C ATOM 1871 O ALA B 86 11.048 17.928 69.542 1.00 21.29 O ATOM 1872 CB ALA B 86 14.121 17.348 68.358 1.00 17.54 C ATOM 1873 H ALA B 86 13.918 19.353 69.951 1.00 0.00 H ATOM 1874 N PRO B 87 11.154 16.971 67.500 1.00 21.83 N ATOM 1875 CA PRO B 87 9.920 16.207 67.740 1.00 26.74 C ATOM 1876 C PRO B 87 10.098 15.172 68.852 1.00 26.25 C ATOM 1877 O PRO B 87 11.225 14.797 69.189 1.00 22.39 O ATOM 1878 CB PRO B 87 9.674 15.503 66.399 1.00 31.05 C ATOM 1879 CG PRO B 87 10.414 16.318 65.387 1.00 32.67 C ATOM 1880 CD PRO B 87 11.633 16.831 66.113 1.00 25.92 C ATOM 1881 N ASN B 88 8.988 14.713 69.420 1.00 34.07 N ATOM 1882 CA ASN B 88 9.035 13.674 70.444 1.00 33.85 C ATOM 1883 C ASN B 88 9.813 12.451 69.972 1.00 29.66 C ATOM 1884 O ASN B 88 9.730 12.071 68.801 1.00 34.65 O ATOM 1885 CB ASN B 88 7.621 13.255 70.853 1.00 44.71 C ATOM 1886 CG ASN B 88 6.841 14.383 71.502 1.00 49.94 C ATOM 1887 OD1 ASN B 88 7.411 15.248 72.165 1.00 52.84 O ATOM 1888 ND2 ASN B 88 5.526 14.378 71.312 1.00 61.86 N ATOM 1889 HD22 ASN B 88 5.086 13.627 70.744 1.00 0.00 H ATOM 1890 HD21 ASN B 88 4.937 15.126 71.731 1.00 0.00 H ATOM 1891 H ASN B 88 8.068 15.101 69.129 1.00 0.00 H ATOM 1892 N ASN B 89 10.583 11.864 70.884 1.00 30.89 N ATOM 1893 CA ASN B 89 11.327 10.624 70.629 1.00 36.43 C ATOM 1894 C ASN B 89 12.559 10.758 69.739 1.00 33.12 C ATOM 1895 O ASN B 89 13.166 9.757 69.360 1.00 36.34 O ATOM 1896 CB ASN B 89 10.412 9.532 70.070 1.00 38.10 C ATOM 1897 CG ASN B 89 9.257 9.217 70.989 1.00 49.01 C ATOM 1898 OD1 ASN B 89 9.451 8.750 72.112 1.00 53.58 O ATOM 1899 ND2 ASN B 89 8.043 9.466 70.517 1.00 53.47 N ATOM 1900 HD22 ASN B 89 7.927 9.861 69.562 1.00 0.00 H ATOM 1901 HD21 ASN B 89 7.207 9.266 71.102 1.00 0.00 H ATOM 1902 H ASN B 89 10.662 12.304 71.823 1.00 0.00 H ATOM 1903 N VAL B 90 12.914 11.986 69.382 1.00 23.77 N ATOM 1904 CA VAL B 90 14.094 12.226 68.571 1.00 21.12 C ATOM 1905 C VAL B 90 15.236 12.639 69.477 1.00 18.64 C ATOM 1906 O VAL B 90 15.099 13.598 70.234 1.00 22.45 O ATOM 1907 CB VAL B 90 13.835 13.356 67.546 1.00 23.47 C ATOM 1908 CG1 VAL B 90 15.122 13.789 66.870 1.00 22.90 C ATOM 1909 CG2 VAL B 90 12.783 12.919 66.516 1.00 27.31 C ATOM 1910 H VAL B 90 12.335 12.793 69.690 1.00 0.00 H ATOM 1911 N GLN B 91 16.357 11.934 69.412 1.00 20.10 N ATOM 1912 CA GLN B 91 17.502 12.211 70.278 1.00 18.81 C ATOM 1913 C GLN B 91 18.750 11.529 69.736 1.00 17.98 C ATOM 1914 O GLN B 91 18.648 10.574 68.961 1.00 19.50 O ATOM 1915 CB GLN B 91 17.223 11.727 71.715 1.00 18.86 C ATOM 1916 CG GLN B 91 17.149 10.198 71.790 1.00 20.76 C ATOM 1917 CD GLN B 91 16.942 9.647 73.193 1.00 40.05 C ATOM 1918 OE1 GLN B 91 16.578 10.367 74.109 1.00 39.92 O ATOM 1919 NE2 GLN B 91 17.173 8.350 73.355 1.00 60.48 N ATOM 1920 HE22 GLN B 91 17.482 7.772 72.548 1.00 0.00 H ATOM 1921 HE21 GLN B 91 17.045 7.912 74.289 1.00 0.00 H ATOM 1922 H GLN B 91 16.424 11.158 68.722 1.00 0.00 H ATOM 1923 N GLY B 92 19.924 12.026 70.084 1.00 15.64 N ATOM 1924 CA GLY B 92 21.185 11.445 69.701 1.00 17.69 C ATOM 1925 C GLY B 92 22.108 12.456 69.036 1.00 15.39 C ATOM 1926 O GLY B 92 21.806 13.661 68.993 1.00 15.28 O ATOM 1927 H GLY B 92 19.938 12.886 70.668 1.00 0.00 H ATOM 1928 N ALA B 93 23.225 11.983 68.505 1.00 16.84 N ATOM 1929 CA ALA B 93 24.217 12.861 67.916 1.00 19.32 C ATOM 1930 C ALA B 93 23.624 13.564 66.718 1.00 15.97 C ATOM 1931 O ALA B 93 22.859 12.973 65.931 1.00 15.39 O ATOM 1932 CB ALA B 93 25.457 12.085 67.484 1.00 20.94 C ATOM 1933 H ALA B 93 23.395 10.957 68.511 1.00 0.00 H ATOM 1934 N ILE B 94 23.996 14.823 66.561 1.00 14.45 N ATOM 1935 CA ILE B 94 23.601 15.559 65.375 1.00 14.60 C ATOM 1936 C ILE B 94 24.626 15.357 64.280 1.00 13.21 C ATOM 1937 O ILE B 94 25.812 15.610 64.464 1.00 14.24 O ATOM 1938 CB ILE B 94 23.420 17.075 65.645 1.00 14.66 C ATOM 1939 CG1 ILE B 94 22.297 17.274 66.656 1.00 17.55 C ATOM 1940 CG2 ILE B 94 23.079 17.781 64.320 1.00 15.39 C ATOM 1941 CD1 ILE B 94 22.110 18.731 67.085 1.00 19.57 C ATOM 1942 H ILE B 94 24.574 15.287 67.290 1.00 0.00 H ATOM 1943 N THR B 95 24.155 14.896 63.112 1.00 12.34 N ATOM 1944 CA THR B 95 24.991 14.784 61.916 1.00 13.29 C ATOM 1945 C THR B 95 24.437 15.739 60.862 1.00 10.93 C ATOM 1946 O THR B 95 23.219 15.764 60.622 1.00 13.51 O ATOM 1947 CB THR B 95 24.970 13.348 61.328 1.00 14.22 C ATOM 1948 OG1 THR B 95 25.519 12.455 62.293 1.00 17.35 O ATOM 1949 CG2 THR B 95 25.794 13.246 60.049 1.00 16.70 C ATOM 1950 HG1 THR B 95 25.512 11.534 61.930 1.00 0.00 H ATOM 1951 H THR B 95 23.158 14.607 63.054 1.00 0.00 H ATOM 1952 N LEU B 96 25.304 16.570 60.315 1.00 12.16 N ATOM 1953 CA LEU B 96 24.901 17.540 59.294 1.00 11.35 C ATOM 1954 C LEU B 96 25.205 16.968 57.919 1.00 13.14 C ATOM 1955 O LEU B 96 26.276 16.408 57.718 1.00 13.31 O ATOM 1956 CB LEU B 96 25.677 18.832 59.497 1.00 13.20 C ATOM 1957 CG LEU B 96 25.411 19.538 60.831 1.00 12.40 C ATOM 1958 CD1 LEU B 96 26.476 20.614 61.046 1.00 17.83 C ATOM 1959 CD2 LEU B 96 24.031 20.155 60.806 1.00 16.46 C ATOM 1960 H LEU B 96 26.299 16.535 60.616 1.00 0.00 H ATOM 1961 N ILE B 97 24.334 17.214 56.952 1.00 11.91 N ATOM 1962 CA ILE B 97 24.516 16.602 55.636 1.00 10.54 C ATOM 1963 C ILE B 97 24.024 17.531 54.564 1.00 12.02 C ATOM 1964 O ILE B 97 22.976 18.153 54.674 1.00 11.14 O ATOM 1965 CB ILE B 97 23.732 15.243 55.479 1.00 13.06 C ATOM 1966 CG1 ILE B 97 23.737 14.418 56.760 1.00 15.60 C ATOM 1967 CG2 ILE B 97 24.332 14.417 54.361 1.00 13.67 C ATOM 1968 CD1 ILE B 97 22.568 13.451 56.858 1.00 21.98 C ATOM 1969 H ILE B 97 23.523 17.841 57.128 1.00 0.00 H ATOM 1970 N TYR B 98 24.761 17.595 53.467 1.00 10.89 N ATOM 1971 CA TYR B 98 24.328 18.311 52.295 1.00 10.71 C ATOM 1972 C TYR B 98 23.231 17.498 51.594 1.00 11.61 C ATOM 1973 O TYR B 98 23.364 16.263 51.468 1.00 13.02 O ATOM 1974 CB TYR B 98 25.522 18.425 51.332 1.00 12.64 C ATOM 1975 CG TYR B 98 25.353 19.376 50.191 1.00 10.81 C ATOM 1976 CD1 TYR B 98 25.298 20.755 50.414 1.00 11.78 C ATOM 1977 CD2 TYR B 98 25.323 18.927 48.863 1.00 12.28 C ATOM 1978 CE1 TYR B 98 25.169 21.648 49.395 1.00 11.05 C ATOM 1979 CE2 TYR B 98 25.212 19.818 47.825 1.00 11.93 C ATOM 1980 CZ TYR B 98 25.158 21.174 48.078 1.00 12.08 C ATOM 1981 OH TYR B 98 25.039 22.028 47.016 1.00 12.91 O ATOM 1982 HH TYR B 98 25.013 22.961 47.346 1.00 0.00 H ATOM 1983 H TYR B 98 25.682 17.113 53.451 1.00 0.00 H ATOM 1984 N ASN B 99 22.169 18.148 51.140 1.00 11.40 N ATOM 1985 CA ASN B 99 21.037 17.434 50.531 1.00 13.41 C ATOM 1986 C ASN B 99 21.306 17.186 49.046 1.00 11.83 C ATOM 1987 O ASN B 99 21.291 18.102 48.245 1.00 11.90 O ATOM 1988 CB ASN B 99 19.760 18.269 50.681 1.00 12.62 C ATOM 1989 CG ASN B 99 18.479 17.473 50.475 1.00 11.99 C ATOM 1990 OD1 ASN B 99 18.464 16.250 50.571 1.00 13.14 O ATOM 1991 ND2 ASN B 99 17.387 18.186 50.201 1.00 11.98 N ATOM 1992 HD22 ASN B 99 17.447 19.222 50.129 1.00 0.00 H ATOM 1993 HD21 ASN B 99 16.475 17.707 50.059 1.00 0.00 H ATOM 1994 H ASN B 99 22.136 19.185 51.216 1.00 0.00 H ATOM 1995 N ASP B 100 21.548 15.916 48.694 1.00 11.62 N ATOM 1996 CA ASP B 100 21.706 15.521 47.287 1.00 10.76 C ATOM 1997 C ASP B 100 21.129 14.117 47.186 1.00 12.54 C ATOM 1998 O ASP B 100 20.675 13.535 48.140 1.00 13.51 O ATOM 1999 CB ASP B 100 23.190 15.569 46.887 1.00 12.34 C ATOM 2000 CG ASP B 100 23.398 15.731 45.376 1.00 14.82 C ATOM 2001 OD1 ASP B 100 22.419 15.703 44.591 1.00 13.83 O ATOM 2002 OD2 ASP B 100 24.560 15.934 44.991 1.00 13.48 O ATOM 2003 H ASP B 100 21.626 15.191 49.435 1.00 0.00 H ATOM 2004 N VAL B 101 21.144 13.601 45.953 1.00 13.19 N ATOM 2005 CA VAL B 101 20.661 12.241 45.662 1.00 13.72 C ATOM 2006 C VAL B 101 21.766 11.243 46.002 1.00 12.97 C ATOM 2007 O VAL B 101 22.935 11.467 45.659 1.00 14.15 O ATOM 2008 CB VAL B 101 20.308 12.155 44.197 1.00 14.13 C ATOM 2009 CG1 VAL B 101 19.910 10.700 43.812 1.00 14.87 C ATOM 2010 CG2 VAL B 101 19.188 13.136 43.858 1.00 14.19 C ATOM 2011 H VAL B 101 21.510 14.181 45.171 1.00 0.00 H ATOM 2012 N PRO B 102 21.427 10.179 46.730 1.00 14.89 N ATOM 2013 CA PRO B 102 22.455 9.198 47.087 1.00 14.29 C ATOM 2014 C PRO B 102 23.186 8.696 45.848 1.00 15.42 C ATOM 2015 O PRO B 102 22.575 8.486 44.792 1.00 17.14 O ATOM 2016 CB PRO B 102 21.658 8.060 47.709 1.00 16.65 C ATOM 2017 CG PRO B 102 20.467 8.785 48.332 1.00 18.01 C ATOM 2018 CD PRO B 102 20.130 9.881 47.365 1.00 16.03 C ATOM 2019 N GLY B 103 24.504 8.546 45.974 1.00 15.50 N ATOM 2020 CA GLY B 103 25.326 8.122 44.854 1.00 17.65 C ATOM 2021 C GLY B 103 25.800 9.230 43.927 1.00 17.98 C ATOM 2022 O GLY B 103 26.592 8.969 43.017 1.00 18.63 O ATOM 2023 H GLY B 103 24.953 8.736 46.893 1.00 0.00 H ATOM 2024 N THR B 104 25.326 10.477 44.118 1.00 14.10 N ATOM 2025 CA THR B 104 25.639 11.566 43.225 1.00 14.06 C ATOM 2026 C THR B 104 26.452 12.673 43.908 1.00 12.61 C ATOM 2027 O THR B 104 26.543 13.765 43.370 1.00 13.01 O ATOM 2028 CB THR B 104 24.379 12.195 42.596 1.00 14.82 C ATOM 2029 OG1 THR B 104 23.704 13.007 43.585 1.00 15.99 O ATOM 2030 CG2 THR B 104 23.436 11.116 42.077 1.00 17.41 C ATOM 2031 HG1 THR B 104 23.443 12.440 44.354 1.00 0.00 H ATOM 2032 H THR B 104 24.713 10.661 44.938 1.00 0.00 H ATOM 2033 N TYR B 105 27.098 12.348 45.017 1.00 13.13 N ATOM 2034 CA TYR B 105 27.841 13.381 45.768 1.00 13.64 C ATOM 2035 C TYR B 105 29.227 13.659 45.214 1.00 14.54 C ATOM 2036 O TYR B 105 29.841 14.666 45.570 1.00 15.01 O ATOM 2037 CB TYR B 105 27.984 12.994 47.239 1.00 14.38 C ATOM 2038 CG TYR B 105 26.743 13.224 48.073 1.00 14.05 C ATOM 2039 CD1 TYR B 105 25.613 12.413 47.939 1.00 14.73 C ATOM 2040 CD2 TYR B 105 26.709 14.239 49.030 1.00 13.21 C ATOM 2041 CE1 TYR B 105 24.466 12.607 48.712 1.00 13.04 C ATOM 2042 CE2 TYR B 105 25.572 14.433 49.811 1.00 13.46 C ATOM 2043 CZ TYR B 105 24.452 13.628 49.672 1.00 13.12 C ATOM 2044 OH TYR B 105 23.311 13.776 50.437 1.00 13.27 O ATOM 2045 HH TYR B 105 22.937 14.682 50.297 1.00 0.00 H ATOM 2046 H TYR B 105 27.082 11.366 45.359 1.00 0.00 H ATOM 2047 N GLY B 106 29.726 12.814 44.295 1.00 13.77 N ATOM 2048 CA GLY B 106 31.111 12.942 43.878 1.00 15.08 C ATOM 2049 C GLY B 106 31.429 14.201 43.116 1.00 13.28 C ATOM 2050 O GLY B 106 32.574 14.623 43.094 1.00 15.57 O ATOM 2051 H GLY B 106 29.123 12.072 43.885 1.00 0.00 H ATOM 2052 N ASN B 107 30.456 14.793 42.443 1.00 12.87 N ATOM 2053 CA ASN B 107 30.704 16.006 41.716 1.00 12.69 C ATOM 2054 C ASN B 107 30.315 17.278 42.479 1.00 11.47 C ATOM 2055 O ASN B 107 30.220 18.332 41.890 1.00 14.01 O ATOM 2056 CB ASN B 107 29.983 15.998 40.370 1.00 13.95 C ATOM 2057 CG ASN B 107 28.456 16.006 40.521 1.00 13.47 C ATOM 2058 OD1 ASN B 107 27.906 15.796 41.607 1.00 14.17 O ATOM 2059 ND2 ASN B 107 27.777 16.290 39.428 1.00 14.74 N ATOM 2060 HD22 ASN B 107 28.279 16.460 38.533 1.00 0.00 H ATOM 2061 HD21 ASN B 107 26.739 16.344 39.460 1.00 0.00 H ATOM 2062 H ASN B 107 29.503 14.376 42.441 1.00 0.00 H ATOM 2063 N ASN B 108 30.152 17.143 43.792 1.00 13.24 N ATOM 2064 CA ASN B 108 29.723 18.279 44.613 1.00 13.49 C ATOM 2065 C ASN B 108 30.949 19.088 44.999 1.00 15.16 C ATOM 2066 O ASN B 108 32.073 18.567 45.023 1.00 16.05 O ATOM 2067 CB ASN B 108 28.979 17.765 45.839 1.00 12.50 C ATOM 2068 CG ASN B 108 27.631 17.128 45.494 1.00 12.35 C ATOM 2069 OD1 ASN B 108 27.308 16.939 44.312 1.00 12.98 O ATOM 2070 ND2 ASN B 108 26.875 16.759 46.510 1.00 13.15 N ATOM 2071 HD22 ASN B 108 27.189 16.940 47.485 1.00 0.00 H ATOM 2072 HD21 ASN B 108 25.964 16.287 46.336 1.00 0.00 H ATOM 2073 H ASN B 108 30.331 16.222 44.241 1.00 0.00 H ATOM 2074 N SER B 109 30.742 20.356 45.351 1.00 13.09 N ATOM 2075 CA SER B 109 31.851 21.218 45.740 1.00 13.46 C ATOM 2076 C SER B 109 31.389 22.250 46.763 1.00 13.72 C ATOM 2077 O SER B 109 30.189 22.513 46.896 1.00 12.72 O ATOM 2078 CB SER B 109 32.469 21.905 44.523 1.00 15.74 C ATOM 2079 OG SER B 109 31.552 22.759 43.899 1.00 17.59 O ATOM 2080 HG SER B 109 30.766 22.236 43.600 1.00 0.00 H ATOM 2081 H SER B 109 29.774 20.737 45.348 1.00 0.00 H ATOM 2082 N GLY B 110 32.367 22.832 47.435 1.00 13.71 N ATOM 2083 CA GLY B 110 32.097 23.819 48.468 1.00 12.85 C ATOM 2084 C GLY B 110 31.639 23.176 49.745 1.00 12.44 C ATOM 2085 O GLY B 110 31.717 21.983 49.979 1.00 13.02 O ATOM 2086 H GLY B 110 33.352 22.578 47.220 1.00 0.00 H ATOM 2087 N SER B 111 31.189 24.031 50.657 1.00 13.16 N ATOM 2088 CA SER B 111 30.897 23.607 52.024 1.00 12.79 C ATOM 2089 C SER B 111 30.099 24.676 52.735 1.00 12.84 C ATOM 2090 O SER B 111 30.081 25.817 52.296 1.00 13.66 O ATOM 2091 CB SER B 111 32.189 23.362 52.813 1.00 16.95 C ATOM 2092 OG SER B 111 32.933 24.574 52.940 1.00 18.01 O ATOM 2093 HG SER B 111 33.164 24.914 52.039 1.00 0.00 H ATOM 2094 H SER B 111 31.041 25.026 50.391 1.00 0.00 H ATOM 2095 N PHE B 112 29.469 24.306 53.840 1.00 11.81 N ATOM 2096 CA PHE B 112 28.853 25.300 54.722 1.00 11.81 C ATOM 2097 C PHE B 112 29.583 25.329 56.050 1.00 11.62 C ATOM 2098 O PHE B 112 29.981 24.290 56.577 1.00 13.39 O ATOM 2099 CB PHE B 112 27.378 24.989 54.957 1.00 11.71 C ATOM 2100 CG PHE B 112 26.549 24.964 53.708 1.00 10.67 C ATOM 2101 CD1 PHE B 112 26.612 26.008 52.808 1.00 11.38 C ATOM 2102 CD2 PHE B 112 25.682 23.900 53.479 1.00 12.55 C ATOM 2103 CE1 PHE B 112 25.841 25.996 51.654 1.00 12.63 C ATOM 2104 CE2 PHE B 112 24.914 23.877 52.322 1.00 12.42 C ATOM 2105 CZ PHE B 112 24.988 24.906 51.425 1.00 11.88 C ATOM 2106 H PHE B 112 29.411 23.297 54.084 1.00 0.00 H ATOM 2107 N SER B 113 29.758 26.539 56.581 1.00 11.66 N ATOM 2108 CA SER B 113 30.281 26.734 57.923 1.00 12.77 C ATOM 2109 C SER B 113 29.102 26.800 58.859 1.00 12.62 C ATOM 2110 O SER B 113 28.165 27.554 58.606 1.00 12.65 O ATOM 2111 CB SER B 113 31.098 28.017 57.940 1.00 15.80 C ATOM 2112 OG SER B 113 31.538 28.262 59.264 1.00 23.19 O ATOM 2113 HG SER B 113 32.097 27.504 59.570 1.00 0.00 H ATOM 2114 H SER B 113 29.511 27.375 56.014 1.00 0.00 H ATOM 2115 N VAL B 114 29.127 26.026 59.936 1.00 11.75 N ATOM 2116 CA VAL B 114 27.932 25.866 60.756 1.00 11.36 C ATOM 2117 C VAL B 114 28.296 25.985 62.243 1.00 12.52 C ATOM 2118 O VAL B 114 29.315 25.443 62.679 1.00 13.37 O ATOM 2119 CB VAL B 114 27.232 24.490 60.501 1.00 11.63 C ATOM 2120 CG1 VAL B 114 25.928 24.386 61.295 1.00 13.76 C ATOM 2121 CG2 VAL B 114 26.965 24.287 58.987 1.00 11.89 C ATOM 2122 H VAL B 114 30.004 25.531 60.197 1.00 0.00 H ATOM 2123 N ASN B 115 27.498 26.751 62.981 1.00 11.09 N ATOM 2124 CA ASN B 115 27.585 26.815 64.434 1.00 10.69 C ATOM 2125 C ASN B 115 26.373 26.154 64.999 1.00 11.20 C ATOM 2126 O ASN B 115 25.256 26.424 64.557 1.00 11.43 O ATOM 2127 CB ASN B 115 27.588 28.279 64.907 1.00 12.99 C ATOM 2128 CG ASN B 115 28.936 28.923 64.811 1.00 17.74 C ATOM 2129 OD1 ASN B 115 29.790 28.740 65.682 1.00 21.36 O ATOM 2130 ND2 ASN B 115 29.133 29.700 63.766 1.00 23.73 N ATOM 2131 HD22 ASN B 115 28.380 29.821 63.059 1.00 0.00 H ATOM 2132 HD21 ASN B 115 30.041 30.192 63.648 1.00 0.00 H ATOM 2133 H ASN B 115 26.780 27.330 62.500 1.00 0.00 H ATOM 2134 N ILE B 116 26.540 25.361 66.060 1.00 12.18 N ATOM 2135 CA ILE B 116 25.397 24.828 66.792 1.00 11.68 C ATOM 2136 C ILE B 116 25.634 25.051 68.295 1.00 13.41 C ATOM 2137 O ILE B 116 26.725 24.768 68.794 1.00 14.26 O ATOM 2138 CB ILE B 116 25.236 23.286 66.620 1.00 12.45 C ATOM 2139 CG1 ILE B 116 25.164 22.915 65.138 1.00 12.47 C ATOM 2140 CG2 ILE B 116 24.008 22.787 67.366 1.00 14.22 C ATOM 2141 CD1 ILE B 116 25.001 21.420 64.914 1.00 17.18 C ATOM 2142 H ILE B 116 27.503 25.119 66.370 1.00 0.00 H ATOM 2143 N GLY B 117 24.618 25.525 68.985 1.00 12.35 N ATOM 2144 CA GLY B 117 24.734 25.618 70.439 1.00 12.72 C ATOM 2145 C GLY B 117 23.453 25.195 71.079 1.00 13.02 C ATOM 2146 O GLY B 117 22.377 25.206 70.499 1.00 14.16 O ATOM 2147 H GLY B 117 23.747 25.828 68.504 1.00 0.00 H ATOM 2148 N LYS B 118 23.557 24.838 72.365 1.00 12.85 N ATOM 2149 CA LYS B 118 22.360 24.590 73.144 1.00 12.76 C ATOM 2150 C LYS B 118 21.954 25.892 73.855 1.00 11.07 C ATOM 2151 O LYS B 118 22.814 26.632 74.334 1.00 13.81 O ATOM 2152 CB LYS B 118 22.591 23.484 74.190 1.00 13.42 C ATOM 2153 CG LYS B 118 22.921 22.144 73.546 1.00 12.66 C ATOM 2154 CD LYS B 118 22.757 20.975 74.517 1.00 14.08 C ATOM 2155 CE LYS B 118 23.177 19.692 73.801 1.00 13.63 C ATOM 2156 NZ LYS B 118 22.968 18.521 74.694 1.00 14.96 N ATOM 2157 HZ1 LYS B 118 23.540 18.637 75.555 1.00 0.00 H ATOM 2158 HZ2 LYS B 118 21.962 18.457 74.951 1.00 0.00 H ATOM 2159 HZ3 LYS B 118 23.256 17.653 74.199 1.00 0.00 H ATOM 2160 H LYS B 118 24.494 24.739 72.804 1.00 0.00 H ATOM 2161 N ASP B 119 20.661 26.162 73.859 1.00 12.77 N ATOM 2162 CA ASP B 119 20.101 27.358 74.496 1.00 13.18 C ATOM 2163 C ASP B 119 19.559 27.043 75.872 1.00 15.89 C ATOM 2164 O ASP B 119 19.501 25.889 76.302 1.00 14.85 O ATOM 2165 CB ASP B 119 18.964 27.901 73.652 1.00 13.79 C ATOM 2166 CG ASP B 119 19.429 28.333 72.287 1.00 17.16 C ATOM 2167 OD1 ASP B 119 20.436 29.068 72.214 1.00 16.69 O ATOM 2168 OD2 ASP B 119 18.839 27.863 71.288 1.00 16.27 O ATOM 2169 H ASP B 119 20.012 25.498 73.390 1.00 0.00 H ATOM 2170 N GLN B 120 19.139 28.084 76.567 1.00 13.62 N ATOM 2171 CA GLN B 120 18.655 27.887 77.918 1.00 14.38 C ATOM 2172 C GLN B 120 17.308 27.168 77.850 1.00 16.07 C ATOM 2173 O GLN B 120 16.552 27.313 76.853 1.00 21.06 O ATOM 2174 CB GLN B 120 18.683 29.214 78.696 1.00 19.62 C ATOM 2175 CG GLN B 120 17.571 30.127 78.525 1.00 35.88 C ATOM 2176 CD GLN B 120 17.724 31.357 79.414 1.00 23.72 C ATOM 2177 OE1 GLN B 120 18.849 31.872 79.655 1.00 17.92 O ATOM 2178 NE2 GLN B 120 16.596 31.849 79.873 1.00 27.54 N ATOM 2179 HE22 GLN B 120 15.694 31.384 79.644 1.00 0.00 H ATOM 2180 HE21 GLN B 120 16.604 32.703 80.466 1.00 0.00 H ATOM 2181 H GLN B 120 19.155 29.036 76.149 1.00 0.00 H ATOM 2182 N SER B 121 17.042 26.308 78.834 1.00 15.49 N ATOM 2183 CA SER B 121 15.831 25.510 78.841 1.00 17.04 C ATOM 2184 C SER B 121 15.509 25.112 80.288 1.00 20.20 C ATOM 2185 O SER B 121 16.147 25.637 81.237 1.00 19.70 O ATOM 2186 CB SER B 121 15.989 24.255 77.957 1.00 19.27 C ATOM 2187 OG SER B 121 16.999 23.367 78.438 1.00 20.04 O ATOM 2188 HG SER B 121 17.060 22.582 77.838 1.00 0.00 H ATOM 2189 H SER B 121 17.720 26.207 79.616 1.00 0.00 H TER 2190 SER B 121 HETATM 2191 CA CA A 1 16.219 46.679 42.847 1.00 12.76 CA HETATM 2192 CA CA A 2 25.819 15.886 42.854 1.00 13.01 CA HETATM 2193 O HOH 3 10.178 35.319 61.094 1.00 39.08 O HETATM 2194 O HOH 4 17.313 31.201 37.459 1.00 46.56 O HETATM 2195 O HOH 5 26.463 28.797 80.247 1.00 27.15 O HETATM 2196 O HOH 6 18.642 35.887 37.439 1.00 43.41 O HETATM 2197 O HOH 7 8.109 36.064 59.923 1.00 39.34 O HETATM 2198 O HOH 8 14.359 48.628 68.627 1.00 38.84 O HETATM 2199 O HOH 9 7.644 47.727 51.736 1.00 31.58 O HETATM 2200 O HOH 10 26.344 12.980 39.412 1.00 23.02 O HETATM 2201 O HOH 11 17.638 30.785 41.680 1.00 25.11 O HETATM 2202 O HOH 12 23.449 26.743 37.339 1.00 40.49 O HETATM 2203 O HOH 13 21.064 31.399 80.957 1.00 31.16 O HETATM 2204 O HOH 14 31.553 45.479 47.120 1.00 28.96 O HETATM 2205 O HOH 15 29.427 40.399 76.558 1.00 31.40 O HETATM 2206 O HOH 16 26.274 40.994 44.720 1.00 19.64 O HETATM 2207 O HOH 17 25.281 53.872 47.384 1.00 32.29 O HETATM 2208 O HOH 18 11.445 33.105 40.949 1.00 34.50 O HETATM 2209 O HOH 19 12.080 54.008 48.545 1.00 35.78 O HETATM 2210 O HOH 20 15.612 49.594 39.433 1.00 23.69 O HETATM 2211 O HOH 21 23.194 37.222 38.713 1.00 24.74 O HETATM 2212 O HOH 22 11.403 37.527 41.770 1.00 27.51 O HETATM 2213 O HOH 23 24.663 14.848 36.295 1.00 34.40 O HETATM 2214 O HOH 24 23.227 34.150 41.035 1.00 18.00 O HETATM 2215 O HOH 25 17.557 47.773 36.366 1.00 34.31 O HETATM 2216 O HOH 26 29.114 39.323 53.833 1.00 15.70 O HETATM 2217 O HOH 27 9.175 50.494 48.551 1.00 25.65 O HETATM 2218 O HOH 28 26.414 38.392 51.168 1.00 12.34 O HETATM 2219 O HOH 29 18.825 31.350 44.182 1.00 17.77 O HETATM 2220 O HOH 30 8.450 46.217 45.085 1.00 16.88 O HETATM 2221 O HOH 31 14.080 52.851 46.050 1.00 20.50 O HETATM 2222 O HOH 32 24.202 39.880 37.722 1.00 28.17 O HETATM 2223 O HOH 33 9.617 35.112 48.534 1.00 27.72 O HETATM 2224 O HOH 34 29.070 47.771 71.299 1.00 28.07 O HETATM 2225 O HOH 35 24.590 54.638 67.783 1.00 41.71 O HETATM 2226 O HOH 36 18.863 51.219 63.663 1.00 22.68 O HETATM 2227 O HOH 37 18.346 51.157 52.112 1.00 15.31 O HETATM 2228 O HOH 38 13.607 52.395 59.306 1.00 36.61 O HETATM 2229 O HOH 39 23.314 39.452 76.242 1.00 17.42 O HETATM 2230 O HOH 40 17.955 38.136 47.889 1.00 13.87 O HETATM 2231 O HOH 41 24.688 43.883 78.140 1.00 16.33 O HETATM 2232 O HOH 42 14.620 46.078 53.487 1.00 14.83 O HETATM 2233 O HOH 43 25.698 33.671 55.836 1.00 29.79 O HETATM 2234 O HOH 44 24.904 47.470 78.964 1.00 24.97 O HETATM 2235 O HOH 45 25.787 18.995 37.360 1.00 22.85 O HETATM 2236 O HOH 46 12.358 35.412 67.937 1.00 21.61 O HETATM 2237 O HOH 47 30.110 46.434 57.186 1.00 33.45 O HETATM 2238 O HOH 48 23.825 51.814 40.403 1.00 27.87 O HETATM 2239 O HOH 49 29.295 44.149 47.929 1.00 26.73 O HETATM 2240 O HOH 50 25.747 34.082 58.373 1.00 19.57 O HETATM 2241 O HOH 51 31.737 42.589 65.887 1.00 30.06 O HETATM 2242 O HOH 52 6.959 41.264 64.061 1.00 31.78 O HETATM 2243 O HOH 53 21.808 47.918 37.146 1.00 42.03 O HETATM 2244 O HOH 54 11.979 47.751 72.253 1.00 44.22 O HETATM 2245 O HOH 55 14.529 56.105 42.347 1.00 37.17 O HETATM 2246 O HOH 56 11.877 41.456 42.110 1.00 19.80 O HETATM 2247 O HOH 57 25.155 22.928 34.953 1.00 45.82 O HETATM 2248 O HOH 58 11.016 50.909 47.638 1.00 32.45 O HETATM 2249 O HOH 59 27.439 34.548 54.377 1.00 23.32 O HETATM 2250 O HOH 60 26.241 41.790 79.266 1.00 24.60 O HETATM 2251 O HOH 61 30.068 32.860 68.446 1.00 36.70 O HETATM 2252 O HOH 62 21.487 33.255 47.795 1.00 12.21 O HETATM 2253 O HOH 63 27.009 31.083 41.772 1.00 19.53 O HETATM 2254 O HOH 64 7.379 37.660 50.780 1.00 36.31 O HETATM 2255 O HOH 65 28.946 40.856 59.884 1.00 22.76 O HETATM 2256 O HOH 66 24.732 46.024 43.104 1.00 16.24 O HETATM 2257 O HOH 67 24.837 52.715 53.613 1.00 25.54 O HETATM 2258 O HOH 68 18.883 53.449 50.654 1.00 21.65 O HETATM 2259 O HOH 69 25.718 52.490 66.895 1.00 22.07 O HETATM 2260 O HOH 70 28.983 45.371 72.946 1.00 22.79 O HETATM 2261 O HOH 71 17.114 56.686 48.266 1.00 34.41 O HETATM 2262 O HOH 72 27.864 54.860 71.201 1.00 48.85 O HETATM 2263 O HOH 73 19.407 55.042 42.117 1.00 35.06 O HETATM 2264 O HOH 74 13.076 52.081 42.742 1.00 22.88 O HETATM 2265 O HOH 75 21.807 51.338 73.800 1.00 34.77 O HETATM 2266 O HOH 76 16.245 43.523 37.344 1.00 23.13 O HETATM 2267 O HOH 77 14.755 37.909 35.327 1.00 36.34 O HETATM 2268 O HOH 78 16.018 52.783 61.243 1.00 35.81 O HETATM 2269 O HOH 79 10.943 39.734 40.062 1.00 32.85 O HETATM 2270 O HOH 80 10.518 30.723 64.432 1.00 46.46 O HETATM 2271 O HOH 81 9.513 43.097 48.847 1.00 15.80 O HETATM 2272 O HOH 82 7.026 40.790 47.000 1.00 30.79 O HETATM 2273 O HOH 83 29.438 49.431 53.261 1.00 20.87 O HETATM 2274 O HOH 84 13.583 45.567 73.929 1.00 31.55 O HETATM 2275 O HOH 85 27.025 52.413 50.836 1.00 24.76 O HETATM 2276 O HOH 86 28.163 34.376 63.499 1.00 25.93 O HETATM 2277 O HOH 87 24.151 33.798 44.947 1.00 19.15 O HETATM 2278 O HOH 88 9.810 45.227 56.041 1.00 18.04 O HETATM 2279 O HOH 89 28.396 47.622 37.325 1.00 36.33 O HETATM 2280 O HOH 90 15.940 35.755 36.750 1.00 30.32 O HETATM 2281 O HOH 91 12.818 27.441 51.221 1.00 22.68 O HETATM 2282 O HOH 92 9.264 41.503 69.862 1.00 35.18 O HETATM 2283 O HOH 93 7.338 41.786 60.631 1.00 32.98 O HETATM 2284 O HOH 94 10.247 49.740 60.281 1.00 25.67 O HETATM 2285 O HOH 95 18.540 53.585 68.439 1.00 32.40 O HETATM 2286 O HOH 96 29.165 49.514 55.963 1.00 39.47 O HETATM 2287 O HOH 97 22.418 31.322 70.447 1.00 22.64 O HETATM 2288 O HOH 98 30.983 33.602 46.818 1.00 29.54 O HETATM 2289 O HOH 99 18.594 50.684 76.043 1.00 37.34 O HETATM 2290 O HOH 100 29.771 39.918 43.200 1.00 37.97 O HETATM 2291 O HOH 101 31.511 35.548 44.124 1.00 39.65 O HETATM 2292 O HOH 102 16.166 45.249 73.725 1.00 22.37 O HETATM 2293 O HOH 103 10.671 31.772 66.894 1.00 41.44 O HETATM 2294 O HOH 104 27.184 52.124 55.976 1.00 25.80 O HETATM 2295 O HOH 105 30.372 41.186 62.114 1.00 31.07 O HETATM 2296 O HOH 106 22.065 55.334 44.267 1.00 33.78 O HETATM 2297 O HOH 107 30.221 34.998 72.187 1.00 38.55 O HETATM 2298 O HOH 108 10.566 34.209 51.660 1.00 23.29 O HETATM 2299 O HOH 109 31.245 38.438 67.928 1.00 29.89 O HETATM 2300 O HOH 110 22.406 53.246 54.265 1.00 33.80 O HETATM 2301 O HOH 111 19.711 28.225 38.453 1.00 38.27 O HETATM 2302 O HOH 112 11.354 52.046 59.056 1.00 38.59 O HETATM 2303 O HOH 113 14.272 32.677 60.998 1.00 29.40 O HETATM 2304 O HOH 114 10.967 52.499 52.745 1.00 30.85 O HETATM 2305 O HOH 115 8.817 45.393 64.540 1.00 42.36 O HETATM 2306 O HOH 116 27.130 37.192 58.225 1.00 27.53 O HETATM 2307 O HOH 117 12.205 32.016 60.295 1.00 41.63 O HETATM 2308 O HOH 118 7.061 43.142 58.275 1.00 38.75 O HETATM 2309 O HOH 119 8.365 39.732 67.760 1.00 23.20 O HETATM 2310 O HOH 120 5.183 46.509 49.661 1.00 30.22 O HETATM 2311 O HOH 121 28.584 35.524 76.675 1.00 40.50 O HETATM 2312 O HOH 122 28.602 54.246 48.933 1.00 39.25 O HETATM 2313 O HOH 123 8.861 48.627 58.119 1.00 31.29 O HETATM 2314 O HOH 124 29.517 29.761 72.496 1.00 41.52 O HETATM 2315 O HOH 125 31.499 43.804 42.935 1.00 32.48 O HETATM 2316 O HOH 126 30.351 53.798 50.625 1.00 44.54 O HETATM 2317 O HOH 127 26.133 54.255 42.545 1.00 41.16 O HETATM 2318 O HOH 128 10.879 51.936 50.106 1.00 25.87 O HETATM 2319 O HOH 129 10.283 34.848 54.191 1.00 34.31 O HETATM 2320 O HOH 130 13.111 50.161 41.014 1.00 32.97 O HETATM 2321 O HOH 131 12.763 42.372 72.490 1.00 37.81 O HETATM 2322 O HOH 132 21.784 32.441 50.759 1.00 9.29 O HETATM 2323 O HOH 133 8.620 35.833 50.536 1.00 41.98 O HETATM 2324 O HOH 134 27.860 53.433 47.103 1.00 29.09 O HETATM 2325 O HOH 135 8.245 34.273 54.717 1.00 53.38 O HETATM 2326 O HOH 136 18.560 53.103 56.353 1.00 43.89 O HETATM 2327 O HOH 137 7.945 44.440 67.243 1.00 43.94 O HETATM 2328 O HOH 138 7.193 37.536 45.279 1.00 42.90 O HETATM 2329 O HOH 139 33.002 30.429 47.518 1.00 44.50 O HETATM 2330 O HOH 140 28.406 51.922 53.307 1.00 30.08 O HETATM 2331 O HOH 141 32.078 42.914 57.183 1.00 47.01 O HETATM 2332 O HOH 142 31.255 41.878 48.729 1.00 43.46 O HETATM 2333 O HOH 143 6.866 43.041 47.905 1.00 38.72 O HETATM 2334 O HOH 144 10.138 28.076 49.345 1.00 38.25 O HETATM 2335 O HOH 145 16.766 53.265 69.851 1.00 48.13 O HETATM 2336 O HOH 146 6.569 38.131 48.189 1.00 48.37 O HETATM 2337 O HOH 147 7.628 46.548 54.949 1.00 36.19 O HETATM 2338 O HOH 148 21.899 50.311 40.068 1.00 35.60 O HETATM 2339 O HOH 149 19.667 52.229 54.544 1.00 33.06 O HETATM 2340 O HOH 150 30.340 38.559 56.180 1.00 34.85 O HETATM 2341 O HOH 151 30.232 49.325 60.172 1.00 46.20 O HETATM 2342 O HOH 152 30.828 39.887 50.091 1.00 37.70 O HETATM 2343 O HOH 153 32.348 33.900 42.410 1.00 48.95 O HETATM 2344 O HOH 154 7.002 41.806 66.792 1.00 46.42 O HETATM 2345 O HOH 155 32.555 39.754 65.972 1.00 46.57 O HETATM 2346 O HOH 156 31.159 44.749 73.940 1.00 41.93 O HETATM 2347 O HOH 157 17.410 54.652 54.534 1.00 45.94 O HETATM 2348 O HOH 158 11.115 31.819 55.442 1.00 33.60 O HETATM 2349 O HOH 159 28.582 47.340 79.928 1.00 39.81 O HETATM 2350 O HOH 160 9.119 47.218 66.388 1.00 46.79 O HETATM 2351 O HOH 161 6.657 39.719 50.561 1.00 39.03 O HETATM 2352 O HOH 162 24.797 53.710 50.144 1.00 37.90 O HETATM 2353 O HOH 163 31.199 45.264 58.987 1.00 43.38 O HETATM 2354 O HOH 164 7.302 43.350 62.486 1.00 41.27 O HETATM 2355 O HOH 165 12.350 38.384 76.447 1.00 36.94 O HETATM 2356 O HOH 166 11.823 55.911 47.012 1.00 44.91 O HETATM 2357 O HOH 167 27.956 34.743 57.087 1.00 21.98 O HETATM 2358 O HOH 168 31.097 40.629 40.841 1.00 42.90 O HETATM 2359 O HOH 169 29.476 34.415 53.577 1.00 38.64 O HETATM 2360 O HOH 170 9.786 29.506 51.309 1.00 46.88 O HETATM 2361 O HOH 171 28.704 28.681 80.752 1.00 37.98 O HETATM 2362 O HOH 172 31.175 43.397 63.357 1.00 41.38 O HETATM 2363 O HOH 173 5.845 39.056 46.211 1.00 48.51 O HETATM 2364 O HOH 174 18.595 57.894 46.869 1.00 46.73 O HETATM 2365 O HOH 175 34.125 43.262 66.521 1.00 47.62 O HETATM 2366 O HOH 176 23.553 54.692 42.229 1.00 41.22 O HETATM 2367 O HOH 177 29.077 37.858 51.385 1.00 19.07 O HETATM 2368 O HOH 178 14.244 44.570 35.456 1.00 50.62 O HETATM 2369 O HOH 179 15.181 42.307 73.319 1.00 30.51 O HETATM 2370 O HOH 180 24.329 11.278 38.522 1.00 39.99 O HETATM 2371 O HOH 181 18.513 53.508 60.361 1.00 45.74 O HETATM 2372 O HOH 182 28.653 55.016 51.216 1.00 47.92 O HETATM 2373 O HOH 183 11.678 49.709 71.186 1.00 46.04 O HETATM 2374 O HOH 184 22.629 46.954 34.259 1.00 51.14 O HETATM 2375 O HOH 185 22.021 12.586 38.544 1.00 39.79 O HETATM 2376 O HOH 186 25.806 50.303 78.928 1.00 34.49 O HETATM 2377 O HOH 187 20.174 50.130 38.605 1.00 39.30 O HETATM 2378 O HOH 188 23.995 55.996 46.405 1.00 40.69 O HETATM 2379 O HOH 189 19.302 57.913 49.057 1.00 46.40 O HETATM 2380 O HOH 190 30.888 40.765 58.108 1.00 37.78 O HETATM 2381 O HOH 191 20.554 55.296 51.502 1.00 36.32 O HETATM 2382 O HOH 192 30.337 49.363 62.859 1.00 39.76 O HETATM 2383 O HOH 193 11.801 29.752 57.528 1.00 44.76 O HETATM 2384 O HOH 194 33.204 38.167 45.731 1.00 44.43 O HETATM 2385 O HOH 195 23.732 47.167 32.444 1.00 52.47 O HETATM 2386 O HOH 196 23.112 54.876 51.932 1.00 45.02 O HETATM 2387 O HOH 197 15.645 53.966 71.788 1.00 46.84 O HETATM 2388 O HOH 198 33.271 38.290 48.098 1.00 46.62 O HETATM 2389 O HOH 199 31.822 27.290 61.074 1.00 37.28 O HETATM 2390 O HOH 200 15.709 33.919 80.235 1.00 26.93 O HETATM 2391 O HOH 201 33.872 26.629 59.742 1.00 41.55 O HETATM 2392 O HOH 202 24.329 31.728 41.677 1.00 25.15 O HETATM 2393 O HOH 203 27.680 14.024 68.557 1.00 36.76 O HETATM 2394 O HOH 204 29.895 8.798 48.402 1.00 35.52 O HETATM 2395 O HOH 205 30.561 25.108 41.718 1.00 26.40 O HETATM 2396 O HOH 206 10.463 17.070 47.152 1.00 28.12 O HETATM 2397 O HOH 207 16.779 8.655 47.285 1.00 30.98 O HETATM 2398 O HOH 208 15.803 21.577 44.692 1.00 20.32 O HETATM 2399 O HOH 209 8.119 12.499 66.766 1.00 49.16 O HETATM 2400 O HOH 210 18.895 25.343 38.705 1.00 22.19 O HETATM 2401 O HOH 211 30.653 29.451 40.927 1.00 33.82 O HETATM 2402 O HOH 212 18.811 28.411 41.008 1.00 19.27 O HETATM 2403 O HOH 213 12.553 22.268 76.517 1.00 30.45 O HETATM 2404 O HOH 214 23.211 31.219 44.186 1.00 17.09 O HETATM 2405 O HOH 215 27.929 9.746 46.045 1.00 20.04 O HETATM 2406 O HOH 216 34.442 14.736 51.753 1.00 32.89 O HETATM 2407 O HOH 217 17.433 18.869 78.156 1.00 16.00 O HETATM 2408 O HOH 218 15.629 24.205 51.175 1.00 12.94 O HETATM 2409 O HOH 219 12.926 23.278 53.850 1.00 16.25 O HETATM 2410 O HOH 220 29.747 27.279 67.949 1.00 21.70 O HETATM 2411 O HOH 221 33.599 16.339 45.079 1.00 17.54 O HETATM 2412 O HOH 222 13.006 14.932 71.307 1.00 28.43 O HETATM 2413 O HOH 223 23.374 11.467 63.738 1.00 23.61 O HETATM 2414 O HOH 224 32.429 27.477 48.548 1.00 28.20 O HETATM 2415 O HOH 225 23.715 11.448 52.120 1.00 15.75 O HETATM 2416 O HOH 226 24.053 24.419 47.861 1.00 13.45 O HETATM 2417 O HOH 227 18.166 10.724 40.405 1.00 28.91 O HETATM 2418 O HOH 228 27.417 16.518 53.481 1.00 14.75 O HETATM 2419 O HOH 229 16.325 28.504 58.363 1.00 19.44 O HETATM 2420 O HOH 230 35.089 21.406 63.997 1.00 32.11 O HETATM 2421 O HOH 231 11.885 16.206 57.099 1.00 34.67 O HETATM 2422 O HOH 232 17.454 8.017 67.858 1.00 40.58 O HETATM 2423 O HOH 233 18.727 23.245 76.252 1.00 17.07 O HETATM 2424 O HOH 234 31.111 19.334 39.477 1.00 41.11 O HETATM 2425 O HOH 235 28.441 10.273 59.311 1.00 37.05 O HETATM 2426 O HOH 236 17.169 15.249 79.024 1.00 24.65 O HETATM 2427 O HOH 237 17.760 22.618 37.675 1.00 30.90 O HETATM 2428 O HOH 238 22.789 7.371 42.269 1.00 33.60 O HETATM 2429 O HOH 239 20.573 29.305 47.797 1.00 12.42 O HETATM 2430 O HOH 240 17.159 9.913 53.611 1.00 27.69 O HETATM 2431 O HOH 241 30.107 14.841 72.135 1.00 40.86 O HETATM 2432 O HOH 242 32.459 11.376 56.269 1.00 41.40 O HETATM 2433 O HOH 243 13.141 21.782 59.940 1.00 21.87 O HETATM 2434 O HOH 244 12.858 13.053 56.298 1.00 39.32 O HETATM 2435 O HOH 245 30.218 21.116 42.085 1.00 19.85 O HETATM 2436 O HOH 246 17.277 16.550 43.122 1.00 15.97 O HETATM 2437 O HOH 247 15.886 20.949 79.279 1.00 23.69 O HETATM 2438 O HOH 248 23.174 9.176 50.656 1.00 21.88 O HETATM 2439 O HOH 249 10.401 20.209 65.791 1.00 29.84 O HETATM 2440 O HOH 250 27.049 6.216 47.388 1.00 39.32 O HETATM 2441 O HOH 251 27.470 6.416 42.275 1.00 34.91 O HETATM 2442 O HOH 252 11.975 29.860 68.385 1.00 38.68 O HETATM 2443 O HOH 253 14.570 28.049 54.405 1.00 23.68 O HETATM 2444 O HOH 254 8.491 18.917 70.189 1.00 44.01 O HETATM 2445 O HOH 255 13.110 17.329 73.013 1.00 22.87 O HETATM 2446 O HOH 256 12.951 19.251 47.269 1.00 32.46 O HETATM 2447 O HOH 257 14.938 31.506 41.773 1.00 19.93 O HETATM 2448 O HOH 258 25.010 5.864 48.309 1.00 35.43 O HETATM 2449 O HOH 259 23.279 11.883 76.062 1.00 35.51 O HETATM 2450 O HOH 260 15.062 10.181 50.844 1.00 24.99 O HETATM 2451 O HOH 261 20.117 14.646 36.952 1.00 45.50 O HETATM 2452 O HOH 262 34.964 21.797 46.974 1.00 29.06 O HETATM 2453 O HOH 263 26.220 9.874 61.348 1.00 34.79 O HETATM 2454 O HOH 264 29.023 10.428 42.838 1.00 22.88 O HETATM 2455 O HOH 265 34.834 21.037 60.601 1.00 32.42 O HETATM 2456 O HOH 266 32.791 21.162 69.851 1.00 34.29 O HETATM 2457 O HOH 267 17.935 28.769 44.973 1.00 19.37 O HETATM 2458 O HOH 268 12.585 13.173 53.249 1.00 21.19 O HETATM 2459 O HOH 269 28.551 17.211 73.903 1.00 35.79 O HETATM 2460 O HOH 270 26.026 26.821 36.821 1.00 32.22 O HETATM 2461 O HOH 271 13.871 28.296 63.525 1.00 26.70 O HETATM 2462 O HOH 272 31.114 22.870 40.104 1.00 32.81 O HETATM 2463 O HOH 273 13.668 14.778 37.321 1.00 37.79 O HETATM 2464 O HOH 274 16.300 10.197 66.948 1.00 22.03 O HETATM 2465 O HOH 275 34.842 24.865 50.821 1.00 40.15 O HETATM 2466 O HOH 276 10.631 26.924 44.297 1.00 38.28 O HETATM 2467 O HOH 277 32.549 19.479 48.842 1.00 15.66 O HETATM 2468 O HOH 278 32.257 17.391 56.016 1.00 18.68 O HETATM 2469 O HOH 279 19.565 31.332 70.464 1.00 23.60 O HETATM 2470 O HOH 280 23.124 9.414 56.524 1.00 41.78 O HETATM 2471 O HOH 281 29.198 35.171 51.189 1.00 24.03 O HETATM 2472 O HOH 282 12.241 22.611 43.192 1.00 37.59 O HETATM 2473 O HOH 283 31.761 12.854 60.299 1.00 26.61 O HETATM 2474 O HOH 284 8.490 7.200 68.763 1.00 58.45 O HETATM 2475 O HOH 285 23.387 9.083 68.393 1.00 33.46 O HETATM 2476 O HOH 286 27.114 24.442 35.320 1.00 34.35 O HETATM 2477 O HOH 287 20.206 11.364 73.743 1.00 33.55 O HETATM 2478 O HOH 288 31.406 30.884 66.832 1.00 41.49 O HETATM 2479 O HOH 289 19.974 7.198 44.410 1.00 33.45 O HETATM 2480 O HOH 290 11.878 27.887 72.160 1.00 38.46 O HETATM 2481 O HOH 291 33.067 16.882 64.955 1.00 43.89 O HETATM 2482 O HOH 292 11.014 28.932 46.821 1.00 27.38 O HETATM 2483 O HOH 293 11.662 21.473 62.160 1.00 31.90 O HETATM 2484 O HOH 294 19.635 9.376 54.300 1.00 30.85 O HETATM 2485 O HOH 295 14.880 10.531 55.972 1.00 25.64 O HETATM 2486 O HOH 296 12.409 26.927 65.930 1.00 38.15 O HETATM 2487 O HOH 297 34.926 19.431 58.363 1.00 37.97 O HETATM 2488 O HOH 298 25.991 17.495 73.714 1.00 22.75 O HETATM 2489 O HOH 299 31.498 28.421 51.617 1.00 23.33 O HETATM 2490 O HOH 300 33.655 22.966 67.771 1.00 24.02 O HETATM 2491 O HOH 301 10.829 24.288 68.001 1.00 30.06 O HETATM 2492 O HOH 302 36.883 16.269 49.488 1.00 33.23 O HETATM 2493 O HOH 303 31.093 10.141 52.786 1.00 31.20 O HETATM 2494 O HOH 304 33.439 26.598 50.758 1.00 42.18 O HETATM 2495 O HOH 305 30.732 10.544 59.018 1.00 38.34 O HETATM 2496 O HOH 306 13.342 8.352 48.962 1.00 39.66 O HETATM 2497 O HOH 307 10.559 18.709 42.982 1.00 33.37 O HETATM 2498 O HOH 308 14.424 30.216 78.467 1.00 41.25 O HETATM 2499 O HOH 309 27.763 30.032 60.925 1.00 30.90 O HETATM 2500 O HOH 310 14.749 25.399 58.162 1.00 29.59 O HETATM 2501 O HOH 311 36.252 24.744 64.198 1.00 46.69 O HETATM 2502 O HOH 312 33.196 13.984 58.142 1.00 30.67 O HETATM 2503 O HOH 313 29.805 30.650 60.235 1.00 39.17 O HETATM 2504 O HOH 314 13.444 27.258 76.795 1.00 45.30 O HETATM 2505 O HOH 315 31.158 10.656 50.131 1.00 26.76 O HETATM 2506 O HOH 316 28.737 12.508 41.059 1.00 31.72 O HETATM 2507 O HOH 317 20.266 30.145 50.767 1.00 9.20 O HETATM 2508 O HOH 318 29.366 20.342 72.455 1.00 37.94 O HETATM 2509 O HOH 319 14.111 9.107 47.185 1.00 30.02 O HETATM 2510 O HOH 320 24.940 7.738 40.427 1.00 43.88 O HETATM 2511 O HOH 321 35.227 18.725 43.986 1.00 37.84 O HETATM 2512 O HOH 322 10.869 20.637 48.959 1.00 44.42 O HETATM 2513 O HOH 323 13.661 10.645 53.271 1.00 28.82 O HETATM 2514 O HOH 324 35.535 23.038 54.901 1.00 49.64 O HETATM 2515 O HOH 325 31.751 34.581 49.234 1.00 39.38 O HETATM 2516 O HOH 326 33.644 19.031 41.819 1.00 40.57 O HETATM 2517 O HOH 327 35.192 19.518 47.875 1.00 35.07 O HETATM 2518 O HOH 328 29.841 9.099 45.998 1.00 40.62 O HETATM 2519 O HOH 329 28.382 13.526 37.252 1.00 33.40 O HETATM 2520 O HOH 330 20.126 12.244 40.082 1.00 34.43 O HETATM 2521 O HOH 331 22.453 10.281 54.548 1.00 32.08 O HETATM 2522 O HOH 332 9.784 16.791 41.799 1.00 42.24 O HETATM 2523 O HOH 333 13.286 20.878 79.374 1.00 43.59 O HETATM 2524 O HOH 334 36.323 23.387 52.533 1.00 45.13 O HETATM 2525 O HOH 335 17.320 20.909 35.906 1.00 53.00 O HETATM 2526 O HOH 336 13.711 15.443 79.957 1.00 37.13 O HETATM 2527 O HOH 337 9.719 22.919 65.892 1.00 46.11 O HETATM 2528 O HOH 338 34.499 16.167 54.884 1.00 33.09 O HETATM 2529 O HOH 339 12.497 17.011 78.898 1.00 52.92 O HETATM 2530 O HOH 340 11.616 23.988 56.159 1.00 33.35 O HETATM 2531 O HOH 341 13.464 9.155 65.701 1.00 41.34 O HETATM 2532 O HOH 342 11.233 22.697 50.069 1.00 38.19 O HETATM 2533 O HOH 343 24.254 8.030 54.281 1.00 47.96 O HETATM 2534 O HOH 344 17.210 8.820 50.054 1.00 38.11 O HETATM 2535 O HOH 345 13.502 33.904 80.859 1.00 37.08 O HETATM 2536 O HOH 346 29.717 24.380 76.428 1.00 39.24 O HETATM 2537 O HOH 347 14.125 27.869 57.083 1.00 21.61 O HETATM 2538 O HOH 348 11.118 30.027 70.725 1.00 51.02 O HETATM 2539 O HOH 349 35.479 22.745 50.631 1.00 38.03 O HETATM 2540 O HOH 350 34.841 19.351 62.527 1.00 41.51 O HETATM 2541 O HOH 351 9.703 28.596 42.123 1.00 49.22 O HETATM 2542 O HOH 352 12.499 28.327 53.404 1.00 40.65 O HETATM 2543 O HOH 353 13.071 7.899 51.096 1.00 47.92 O HETATM 2544 O HOH 354 10.918 19.311 63.259 1.00 42.17 O HETATM 2545 O HOH 355 18.390 7.956 42.245 1.00 41.89 O HETATM 2546 O HOH 356 10.899 17.443 59.076 1.00 39.38 O HETATM 2547 O HOH 357 21.796 9.723 72.835 1.00 41.02 O HETATM 2548 O HOH 358 6.569 6.049 68.854 1.00 61.92 O HETATM 2549 O HOH 359 31.902 27.038 69.495 1.00 39.99 O HETATM 2550 O HOH 360 7.931 19.386 66.636 1.00 46.34 O HETATM 2551 O HOH 361 12.970 24.718 51.397 1.00 18.61 O HETATM 2552 O HOH 362 26.901 20.338 73.261 1.00 26.59 O HETATM 2553 O HOH 363 23.417 4.624 47.135 1.00 47.59 O HETATM 2554 O HOH 364 21.107 8.152 71.606 1.00 47.37 O HETATM 2555 O HOH 365 21.021 31.284 45.896 1.00 13.99 O HETATM 2556 O HOH 366 16.961 11.229 35.745 1.00 48.35 O HETATM 2557 O HOH 367 35.345 14.314 54.050 1.00 48.38 O HETATM 2558 O HOH 368 35.268 20.464 42.685 1.00 40.80 O HETATM 2559 O HOH 369 37.244 19.089 49.375 1.00 41.95 O HETATM 2560 O HOH 370 16.365 12.453 78.939 1.00 35.00 O HETATM 2561 O HOH 371 26.619 5.863 39.727 1.00 51.21 O HETATM 2562 O HOH 372 18.167 6.541 46.392 1.00 36.79 O HETATM 2563 O HOH 373 10.976 21.581 58.097 1.00 45.17 O HETATM 2564 O HOH 374 21.502 7.295 51.599 1.00 36.28 O HETATM 2565 O HOH 375 18.891 7.780 52.171 1.00 40.97 O HETATM 2566 O HOH 376 30.005 33.122 57.392 1.00 46.71 O HETATM 2567 O HOH 377 14.090 11.918 79.296 1.00 45.31 O HETATM 2568 O HOH 378 11.086 17.367 61.945 1.00 44.37 O HETATM 2569 O HOH 379 15.698 28.780 74.834 1.00 26.23 O HETATM 2570 O HOH 380 10.033 50.026 82.071 1.00 47.45 O HETATM 2571 O HOH 381 20.967 31.345 74.119 1.00 30.14 O HETATM 2572 O HOH 382 14.174 34.638 78.792 1.00 41.67 O HETATM 2573 O HOH 383 12.635 40.387 78.562 1.00 29.79 O HETATM 2574 O HOH 384 21.058 44.765 77.539 1.00 14.81 O HETATM 2575 O HOH 385 12.992 47.850 83.806 1.00 28.37 O HETATM 2576 O HOH 386 29.717 35.447 87.143 1.00 22.47 O HETATM 2577 O HOH 387 17.409 43.839 76.950 1.00 16.33 O HETATM 2578 O HOH 388 18.804 39.477 78.833 1.00 17.95 O HETATM 2579 O HOH 389 12.013 33.141 86.596 1.00 36.81 O HETATM 2580 O HOH 390 17.224 47.530 76.106 1.00 24.81 O HETATM 2581 O HOH 391 30.007 47.936 82.849 1.00 47.07 O HETATM 2582 O HOH 392 32.816 41.589 85.169 1.00 34.21 O HETATM 2583 O HOH 393 15.874 41.790 75.772 1.00 24.17 O HETATM 2584 O HOH 394 13.106 45.363 82.084 1.00 23.35 O HETATM 2585 O HOH 395 20.295 51.342 81.285 1.00 34.21 O HETATM 2586 O HOH 396 28.508 45.529 81.134 1.00 32.85 O HETATM 2587 O HOH 397 19.639 31.385 84.656 1.00 23.83 O HETATM 2588 O HOH 398 11.888 34.992 82.934 1.00 38.04 O HETATM 2589 O HOH 399 25.910 45.313 81.338 1.00 22.82 O HETATM 2590 O HOH 400 23.549 50.758 79.103 1.00 36.81 O HETATM 2591 O HOH 401 10.888 38.512 87.171 1.00 30.57 O HETATM 2592 O HOH 402 10.911 35.832 86.797 1.00 48.17 O HETATM 2593 O HOH 403 31.526 31.897 88.073 1.00 39.91 O HETATM 2594 O HOH 404 33.786 39.695 87.335 1.00 23.82 O HETATM 2595 O HOH 405 29.525 42.563 82.707 1.00 37.85 O HETATM 2596 O HOH 406 16.022 53.678 78.273 1.00 46.55 O HETATM 2597 O HOH 407 14.344 32.571 76.663 1.00 43.92 O HETATM 2598 O HOH 408 21.049 40.868 77.564 1.00 19.90 O HETATM 2599 O HOH 409 33.516 37.303 85.560 1.00 43.97 O HETATM 2600 O HOH 410 11.022 44.621 81.036 1.00 44.91 O HETATM 2601 O HOH 411 13.539 28.838 74.279 1.00 37.36 O HETATM 2602 O HOH 412 29.770 38.577 78.688 1.00 44.32 O HETATM 2603 O HOH 413 21.473 53.013 82.241 1.00 38.24 O HETATM 2604 O HOH 414 24.887 53.557 84.195 1.00 46.58 O HETATM 2605 O HOH 415 32.018 35.599 85.718 1.00 42.86 O HETATM 2606 O HOH 416 26.928 42.357 81.812 1.00 30.10 O HETATM 2607 O HOH 417 16.227 50.281 76.136 1.00 35.53 O HETATM 2608 O HOH 418 33.688 33.971 86.876 1.00 47.35 O HETATM 2609 O HOH 419 30.489 50.030 83.882 1.00 47.21 O HETATM 2610 O HOH 420 26.402 33.911 74.880 1.00 27.09 O HETATM 2611 O HOH 421 29.233 33.021 82.380 1.00 46.55 O HETATM 2612 O HOH 422 14.466 14.090 86.641 1.00 37.32 O HETATM 2613 O HOH 423 29.488 22.284 78.632 1.00 32.36 O HETATM 2614 O HOH 424 29.012 14.883 83.754 1.00 27.00 O HETATM 2615 O HOH 425 24.617 18.852 76.954 1.00 16.21 O HETATM 2616 O HOH 426 12.392 27.338 87.181 1.00 22.82 O HETATM 2617 O HOH 427 21.040 17.983 77.542 1.00 15.61 O HETATM 2618 O HOH 428 30.059 29.755 86.583 1.00 39.12 O HETATM 2619 O HOH 429 23.328 23.253 78.832 1.00 17.11 O HETATM 2620 O HOH 430 12.047 14.788 83.042 1.00 42.79 O HETATM 2621 O HOH 431 18.761 11.898 79.072 1.00 37.20 O HETATM 2622 O HOH 432 24.816 15.266 76.063 1.00 24.35 O HETATM 2623 O HOH 433 26.272 20.940 75.807 1.00 24.09 O HETATM 2624 O HOH 434 13.475 17.223 81.219 1.00 36.00 O HETATM 2625 O HOH 435 22.467 31.358 84.631 1.00 22.42 O HETATM 2626 O HOH 436 29.017 17.369 82.058 1.00 22.01 O HETATM 2627 O HOH 437 9.227 21.174 85.212 1.00 35.38 O HETATM 2628 O HOH 438 16.182 17.487 81.396 1.00 23.11 O HETATM 2629 O HOH 439 21.802 11.371 81.392 1.00 34.05 O HETATM 2630 O HOH 440 10.636 30.855 88.132 1.00 38.13 O HETATM 2631 O HOH 441 30.230 27.888 82.945 1.00 39.00 O HETATM 2632 O HOH 442 31.210 24.186 87.250 1.00 27.79 O HETATM 2633 O HOH 443 27.550 30.059 76.593 1.00 42.36 O HETATM 2634 O HOH 444 8.412 22.976 87.293 1.00 25.21 O HETATM 2635 O HOH 445 12.602 20.424 82.582 1.00 38.13 O HETATM 2636 O HOH 446 28.731 27.182 78.277 1.00 42.08 O HETATM 2637 O HOH 447 21.039 21.854 77.558 1.00 20.90 O HETATM 2638 O HOH 448 29.398 16.802 76.060 1.00 45.28 O HETATM 2639 O HOH 449 29.011 21.353 75.775 1.00 42.66 O HETATM 2640 O HOH 450 28.570 33.931 74.278 1.00 36.00 O HETATM 2641 O HOH 451 12.381 24.311 78.605 1.00 40.07 O HETATM 2642 O HOH 452 31.370 18.128 81.051 1.00 41.95 O HETATM 2643 O HOH 453 10.038 26.993 85.680 1.00 40.43 O HETATM 2644 O HOH 454 20.223 9.713 82.256 1.00 42.78 O HETATM 2645 O HOH 455 15.149 20.358 81.842 1.00 28.15 O HETATM 2646 O HOH 456 31.348 20.974 79.685 1.00 47.39 O HETATM 2647 O HOH 457 28.992 19.066 75.307 1.00 42.87 O HETATM 2648 O HOH 458 21.098 8.017 83.218 1.00 48.45 O HETATM 2649 O HOH 459 25.762 12.355 76.224 1.00 36.26 O HETATM 2650 O HOH 460 8.256 28.784 87.040 1.00 45.99 O HETATM 2651 O HOH 461 27.969 11.680 75.781 1.00 48.93 O HETATM 2652 C14 UNN A 462 21.102 22.646 35.234 1.00 0.14 C HETATM 2653 C6 UNN A 462 21.807 23.229 34.023 1.00 0.12 C HETATM 2654 C8 UNN A 462 21.717 22.301 32.821 1.00 0.07 C HETATM 2655 O33 UNN A 462 20.394 21.823 32.692 1.00 -0.39 O HETATM 2656 H25 UNN A 462 20.340 21.244 31.941 1.00 0.21 H HETATM 2657 H4 UNN A 462 22.401 21.451 32.962 1.00 0.06 H HETATM 2658 H5 UNN A 462 21.998 22.852 31.911 1.00 0.06 H HETATM 2659 O9 UNN A 462 21.163 24.430 33.778 1.00 -0.36 O HETATM 2660 C10 UNN A 462 21.182 25.389 34.772 1.00 0.12 C HETATM 2661 C11 UNN A 462 20.261 26.538 34.341 1.00 0.07 C HETATM 2662 C3 UNN A 462 20.599 27.842 34.512 1.00 0.07 C HETATM 2663 N4 UNN A 462 19.594 28.592 34.048 1.00 -0.17 N HETATM 2664 N1 UNN A 462 18.575 27.834 33.554 1.00 -0.10 N HETATM 2665 N12 UNN A 462 18.972 26.472 33.731 1.00 -0.22 N HETATM 2666 C59 UNN A 462 19.660 30.051 34.097 1.00 0.14 C HETATM 2667 C61 UNN A 462 20.008 30.441 35.485 1.00 0.12 C HETATM 2668 C64 UNN A 462 20.352 31.922 35.532 1.00 0.14 C HETATM 2669 C68 UNN A 462 21.422 32.198 34.499 1.00 0.22 C HETATM 2670 N65 UNN A 462 21.729 33.589 34.487 1.00 -0.15 N HETATM 2671 N67 UNN A 462 22.916 34.182 34.146 1.00 -0.10 N HETATM 2672 N66 UNN A 462 22.780 35.552 34.261 1.00 -0.22 N HETATM 2673 C63 UNN A 462 21.495 35.798 34.668 1.00 0.07 C HETATM 2674 C69 UNN A 462 20.799 34.590 34.817 1.00 0.07 C HETATM 2675 H31 UNN A 462 19.762 34.456 35.122 1.00 0.09 H HETATM 2676 C86 UNN A 462 20.856 37.132 34.937 1.00 0.12 C HETATM 2677 O85 UNN A 462 21.165 37.999 33.852 1.00 -0.36 O HETATM 2678 C93 UNN A 462 20.448 39.219 34.044 1.00 0.12 C HETATM 2679 C92 UNN A 462 21.056 39.872 35.254 1.00 0.14 C HETATM 2680 N90 UNN A 462 20.366 41.057 35.605 1.00 -0.17 N HETATM 2681 N97 UNN A 462 19.022 41.284 35.443 1.00 -0.10 N HETATM 2682 N98 UNN A 462 18.768 42.569 35.963 1.00 -0.22 N HETATM 2683 C99 UNN A 462 19.968 43.073 36.447 1.00 0.06 C HETATM 2684 CA0 UNN A 462 20.963 42.159 36.252 1.00 0.07 C HETATM 2685 H47 UNN A 462 22.009 42.260 36.539 1.00 0.09 H HETATM 2686 CA1 UNN A 462 20.150 44.442 37.101 1.00 0.09 C HETATM 2687 OA2 UNN A 462 19.386 44.388 38.291 1.00 -0.34 O HETATM 2688 CA8 UNN A 462 19.387 45.629 38.906 1.00 0.19 C HETATM 2689 OA3 UNN A 462 20.323 45.558 39.989 1.00 -0.34 O HETATM 2690 CA4 UNN A 462 20.429 46.796 40.585 1.00 0.11 C HETATM 2691 CA5 UNN A 462 19.118 47.309 41.152 1.00 0.11 C HETATM 2692 CA6 UNN A 462 18.064 47.298 40.076 1.00 0.11 C HETATM 2693 CA7 UNN A 462 18.006 45.967 39.403 1.00 0.13 C HETATM 2694 OA9 UNN A 462 17.087 46.047 38.320 1.00 -0.38 O HETATM 2695 H55 UNN A 462 17.370 46.723 37.715 1.00 0.21 H HETATM 2696 H53 UNN A 462 17.671 45.198 40.115 1.00 0.07 H HETATM 2697 OB0 UNN A 462 16.822 47.598 40.650 1.00 -0.39 O HETATM 2698 H56 UNN A 462 16.157 47.619 39.971 1.00 0.21 H HETATM 2699 H52 UNN A 462 18.310 48.064 39.326 1.00 0.06 H HETATM 2700 OB1 UNN A 462 18.646 46.470 42.213 1.00 -0.39 O HETATM 2701 H57 UNN A 462 19.289 46.454 42.912 1.00 0.21 H HETATM 2702 H51 UNN A 462 19.263 48.333 41.527 1.00 0.06 H HETATM 2703 CB3 UNN A 462 21.441 46.667 41.720 1.00 0.07 C HETATM 2704 OB2 UNN A 462 22.716 46.377 41.184 1.00 -0.39 O HETATM 2705 H58 UNN A 462 22.677 45.560 40.700 1.00 0.21 H HETATM 2706 H59 UNN A 462 21.134 45.855 42.395 1.00 0.06 H HETATM 2707 H60 UNN A 462 21.485 47.612 42.281 1.00 0.06 H HETATM 2708 H50 UNN A 462 20.795 47.519 39.841 1.00 0.06 H HETATM 2709 H54 UNN A 462 19.708 46.400 38.190 1.00 0.09 H HETATM 2710 H48 UNN A 462 19.778 45.238 36.440 1.00 0.07 H HETATM 2711 H49 UNN A 462 21.210 44.622 37.331 1.00 0.07 H HETATM 2712 C96 UNN A 462 20.846 39.018 36.487 1.00 0.12 C HETATM 2713 O88 UNN A 462 21.510 39.603 37.589 1.00 -0.39 O HETATM 2714 H38 UNN A 462 22.439 39.664 37.401 1.00 0.21 H HETATM 2715 C95 UNN A 462 21.372 37.637 36.250 1.00 0.12 C HETATM 2716 O89 UNN A 462 20.895 36.822 37.325 1.00 -0.39 O HETATM 2717 H39 UNN A 462 19.945 36.842 37.339 1.00 0.21 H HETATM 2718 H45 UNN A 462 22.472 37.642 36.238 1.00 0.07 H HETATM 2719 H46 UNN A 462 19.769 38.959 36.705 1.00 0.07 H HETATM 2720 H41 UNN A 462 22.123 40.066 35.073 1.00 0.07 H HETATM 2721 C94 UNN A 462 20.556 40.078 32.791 1.00 0.07 C HETATM 2722 O91 UNN A 462 21.756 40.879 32.823 1.00 -0.39 O HETATM 2723 H40 UNN A 462 21.736 41.447 33.584 1.00 0.21 H HETATM 2724 H43 UNN A 462 20.582 39.425 31.907 1.00 0.06 H HETATM 2725 H44 UNN A 462 19.681 40.741 32.732 1.00 0.06 H HETATM 2726 H42 UNN A 462 19.386 39.007 34.237 1.00 0.07 H HETATM 2727 H37 UNN A 462 19.764 37.018 35.002 1.00 0.07 H HETATM 2728 O70 UNN A 462 20.940 31.887 33.232 1.00 -0.33 O HETATM 2729 C62 UNN A 462 20.745 30.491 33.114 1.00 0.12 C HETATM 2730 C71 UNN A 462 20.381 30.178 31.703 1.00 0.07 C HETATM 2731 O74 UNN A 462 18.957 30.346 31.481 1.00 -0.39 O HETATM 2732 H36 UNN A 462 18.477 29.762 32.056 1.00 0.21 H HETATM 2733 H32 UNN A 462 20.658 29.137 31.483 1.00 0.06 H HETATM 2734 H33 UNN A 462 20.931 30.854 31.032 1.00 0.06 H HETATM 2735 H28 UNN A 462 21.680 29.969 33.364 1.00 0.07 H HETATM 2736 H30 UNN A 462 22.322 31.607 34.725 1.00 0.10 H HETATM 2737 O73 UNN A 462 20.820 32.239 36.808 1.00 -0.38 O HETATM 2738 H35 UNN A 462 20.140 32.061 37.447 1.00 0.21 H HETATM 2739 H29 UNN A 462 19.458 32.522 35.308 1.00 0.07 H HETATM 2740 O72 UNN A 462 18.920 30.178 36.340 1.00 -0.39 O HETATM 2741 H34 UNN A 462 18.168 30.685 36.059 1.00 0.21 H HETATM 2742 H27 UNN A 462 20.879 29.857 35.817 1.00 0.07 H HETATM 2743 H26 UNN A 462 18.694 30.494 33.814 1.00 0.07 H HETATM 2744 H7 UNN A 462 21.525 28.212 34.950 1.00 0.09 H HETATM 2745 C2 UNN A 462 20.686 24.887 36.112 1.00 0.12 C HETATM 2746 C7 UNN A 462 21.298 23.552 36.415 1.00 0.12 C HETATM 2747 O5 UNN A 462 20.683 22.993 37.566 1.00 -0.39 O HETATM 2748 H9 UNN A 462 19.753 22.884 37.406 1.00 0.21 H HETATM 2749 H3 UNN A 462 22.374 23.677 36.604 1.00 0.07 H HETATM 2750 O32 UNN A 462 21.072 25.756 37.144 1.00 -0.39 O HETATM 2751 H24 UNN A 462 22.020 25.814 37.170 1.00 0.21 H HETATM 2752 H8 UNN A 462 19.590 24.802 36.085 1.00 0.07 H HETATM 2753 H6 UNN A 462 22.212 25.756 34.889 1.00 0.07 H HETATM 2754 H2 UNN A 462 22.867 23.408 34.254 1.00 0.07 H HETATM 2755 N13 UNN A 462 21.727 21.445 35.618 1.00 -0.17 N HETATM 2756 C15 UNN A 462 21.098 20.394 36.247 1.00 0.07 C HETATM 2757 C16 UNN A 462 22.071 19.449 36.457 1.00 0.06 C HETATM 2758 N17 UNN A 462 23.287 19.907 35.987 1.00 -0.22 N HETATM 2759 N18 UNN A 462 23.075 21.163 35.464 1.00 -0.10 N HETATM 2760 C19 UNN A 462 21.860 18.114 37.127 1.00 0.09 C HETATM 2761 O20 UNN A 462 22.653 18.170 38.300 1.00 -0.34 O HETATM 2762 C22 UNN A 462 22.644 16.933 38.900 1.00 0.19 C HETATM 2763 O21 UNN A 462 21.714 16.967 39.979 1.00 -0.34 O HETATM 2764 C24 UNN A 462 21.604 15.730 40.599 1.00 0.11 C HETATM 2765 C23 UNN A 462 22.910 15.248 41.148 1.00 0.11 C HETATM 2766 O25 UNN A 462 23.392 16.060 42.229 1.00 -0.39 O HETATM 2767 H16 UNN A 462 22.758 16.052 42.937 1.00 0.21 H HETATM 2768 C28 UNN A 462 24.001 15.273 40.059 1.00 0.11 C HETATM 2769 O26 UNN A 462 25.241 14.978 40.603 1.00 -0.39 O HETATM 2770 H17 UNN A 462 25.899 14.998 39.918 1.00 0.21 H HETATM 2771 C27 UNN A 462 24.021 16.615 39.400 1.00 0.13 C HETATM 2772 O30 UNN A 462 24.949 16.553 38.293 1.00 -0.38 O HETATM 2773 H22 UNN A 462 24.978 17.397 37.858 1.00 0.21 H HETATM 2774 H18 UNN A 462 24.343 17.385 40.117 1.00 0.07 H HETATM 2775 H19 UNN A 462 23.762 14.512 39.302 1.00 0.06 H HETATM 2776 H14 UNN A 462 22.773 14.217 41.507 1.00 0.06 H HETATM 2777 C29 UNN A 462 20.542 15.884 41.725 1.00 0.07 C HETATM 2778 O31 UNN A 462 19.290 16.188 41.191 1.00 -0.39 O HETATM 2779 H23 UNN A 462 19.343 17.004 40.707 1.00 0.21 H HETATM 2780 H20 UNN A 462 20.851 16.694 42.403 1.00 0.06 H HETATM 2781 H21 UNN A 462 20.474 14.941 42.287 1.00 0.06 H HETATM 2782 H15 UNN A 462 21.249 14.992 39.865 1.00 0.06 H HETATM 2783 H13 UNN A 462 22.335 16.168 38.172 1.00 0.09 H HETATM 2784 H11 UNN A 462 22.193 17.295 36.473 1.00 0.07 H HETATM 2785 H12 UNN A 462 20.800 17.972 37.382 1.00 0.07 H HETATM 2786 H10 UNN A 462 20.046 20.326 36.521 1.00 0.09 H HETATM 2787 H1 UNN A 462 20.035 22.492 35.017 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 313 312 2191 CONECT 907 905 2191 CONECT 932 931 2191 CONECT 963 962 2191 CONECT 1096 1097 1101 1102 1103 CONECT 1101 1096 CONECT 1102 1096 CONECT 1103 1096 CONECT 1408 1407 2192 CONECT 2002 2000 2192 CONECT 2027 2026 2192 CONECT 2058 2057 2192 CONECT 2191 313 907 932 963 CONECT 2192 1408 2002 2027 2058 CONECT 2652 2653 2746 2755 2787 CONECT 2653 2652 2654 2659 2754 CONECT 2654 2653 2655 2657 2658 CONECT 2655 2654 2656 CONECT 2656 2655 CONECT 2657 2654 CONECT 2658 2654 CONECT 2659 2653 2660 CONECT 2660 2659 2661 2745 2753 CONECT 2661 2660 2662 2665 CONECT 2662 2661 2663 2744 CONECT 2663 2662 2664 2666 CONECT 2664 2663 2665 CONECT 2665 2661 2664 CONECT 2666 2663 2667 2729 2743 CONECT 2667 2666 2668 2740 2742 CONECT 2668 2667 2669 2737 2739 CONECT 2669 2668 2670 2728 2736 CONECT 2670 2669 2671 2674 CONECT 2671 2670 2672 CONECT 2672 2671 2673 CONECT 2673 2672 2674 2676 CONECT 2674 2670 2673 2675 CONECT 2675 2674 CONECT 2676 2673 2677 2715 2727 CONECT 2677 2676 2678 CONECT 2678 2677 2679 2721 2726 CONECT 2679 2678 2680 2712 2720 CONECT 2680 2679 2681 2684 CONECT 2681 2680 2682 CONECT 2682 2681 2683 CONECT 2683 2682 2684 2686 CONECT 2684 2680 2683 2685 CONECT 2685 2684 CONECT 2686 2683 2687 2710 2711 CONECT 2687 2686 2688 CONECT 2688 2687 2689 2693 2709 CONECT 2689 2688 2690 CONECT 2690 2689 2691 2703 2708 CONECT 2691 2690 2692 2700 2702 CONECT 2692 2691 2693 2697 2699 CONECT 2693 2688 2692 2694 2696 CONECT 2694 2693 2695 CONECT 2695 2694 CONECT 2696 2693 CONECT 2697 2692 2698 CONECT 2698 2697 CONECT 2699 2692 CONECT 2700 2691 2701 CONECT 2701 2700 CONECT 2702 2691 CONECT 2703 2690 2704 2706 2707 CONECT 2704 2703 2705 CONECT 2705 2704 CONECT 2706 2703 CONECT 2707 2703 CONECT 2708 2690 CONECT 2709 2688 CONECT 2710 2686 CONECT 2711 2686 CONECT 2712 2679 2713 2715 2719 CONECT 2713 2712 2714 CONECT 2714 2713 CONECT 2715 2676 2712 2716 2718 CONECT 2716 2715 2717 CONECT 2717 2716 CONECT 2718 2715 CONECT 2719 2712 CONECT 2720 2679 CONECT 2721 2678 2722 2724 2725 CONECT 2722 2721 2723 CONECT 2723 2722 CONECT 2724 2721 CONECT 2725 2721 CONECT 2726 2678 CONECT 2727 2676 CONECT 2728 2669 2729 CONECT 2729 2666 2728 2730 2735 CONECT 2730 2729 2731 2733 2734 CONECT 2731 2730 2732 CONECT 2732 2731 CONECT 2733 2730 CONECT 2734 2730 CONECT 2735 2729 CONECT 2736 2669 CONECT 2737 2668 2738 CONECT 2738 2737 CONECT 2739 2668 CONECT 2740 2667 2741 CONECT 2741 2740 CONECT 2742 2667 CONECT 2743 2666 CONECT 2744 2662 CONECT 2745 2660 2746 2750 2752 CONECT 2746 2652 2745 2747 2749 CONECT 2747 2746 2748 CONECT 2748 2747 CONECT 2749 2746 CONECT 2750 2745 2751 CONECT 2751 2750 CONECT 2752 2745 CONECT 2753 2660 CONECT 2754 2653 CONECT 2755 2652 2756 2759 CONECT 2756 2755 2757 2786 CONECT 2757 2756 2758 2760 CONECT 2758 2757 2759 CONECT 2759 2755 2758 CONECT 2760 2757 2761 2784 2785 CONECT 2761 2760 2762 CONECT 2762 2761 2763 2771 2783 CONECT 2763 2762 2764 CONECT 2764 2763 2765 2777 2782 CONECT 2765 2764 2766 2768 2776 CONECT 2766 2765 2767 CONECT 2767 2766 CONECT 2768 2765 2769 2771 2775 CONECT 2769 2768 2770 CONECT 2770 2769 CONECT 2771 2762 2768 2772 2774 CONECT 2772 2771 2773 CONECT 2773 2772 CONECT 2774 2771 CONECT 2775 2768 CONECT 2776 2765 CONECT 2777 2764 2778 2780 2781 CONECT 2778 2777 2779 CONECT 2779 2778 CONECT 2780 2777 CONECT 2781 2777 CONECT 2782 2764 CONECT 2783 2762 CONECT 2784 2760 CONECT 2785 2760 CONECT 2786 2756 CONECT 2787 2652 MASTER 0 0 0 0 0 0 0 0 2785 2 154 20 END
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Related entries of code: 4ywa
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
121aa, >1OKO_1|Chains... at 100%
2vxj
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PDBbind
121aa, >2VXJ_1|Chains... at 100%
2wyf
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PDBbind
121aa, >2WYF_1|Chains... at 100%
3zyb
RCSB PDB
PDBbind
122aa, >3ZYB_1|Chains... *
3zyf
RCSB PDB
PDBbind
122aa, >3ZYF_1|Chains... at 100%
3zyh
RCSB PDB
PDBbind
122aa, >3ZYH_1|Chains... at 100%
4a6s
RCSB PDB
PDBbind
121aa, >4A6S_1|Chains... at 100%
4ljh
RCSB PDB
PDBbind
122aa, >4LJH_1|Chains... at 100%
4lk6
RCSB PDB
PDBbind
121aa, >4LK6_1|Chains... at 100%
4lk7
RCSB PDB
PDBbind
121aa, >4LK7_1|Chains... at 100%
4lkd
RCSB PDB
PDBbind
121aa, >4LKD_1|Chains... at 100%
4lke
RCSB PDB
PDBbind
121aa, >4LKE_1|Chains... at 100%
4lkf
RCSB PDB
PDBbind
121aa, >4LKF_1|Chains... at 100%
4yw6
RCSB PDB
PDBbind
121aa, >4YW6_1|Chains... at 100%
4yw7
RCSB PDB
PDBbind
121aa, >4YW7_1|Chains... at 100%
5d21
RCSB PDB
PDBbind
121aa, >5D21_1|Chains... at 100%
5mih
RCSB PDB
PDBbind
121aa, >5MIH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ywa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PA-I galactophilic lectin
Ligand Name
4J9
EC.Number
E.C.-.-.-.-
Resolution
1.19(Å)
Affinity (Kd/Ki/IC50)
Kd=28nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acs Chem.Biol. Vol. 10: pp. 2455-2462
Ligand Properties
Formula
C
4
0
H
6
0
N
1
2
O
2
4
Molecular Weight
1092.970
Exact Mass
1092.380
No. of atoms
136
No. of bonds
144
Polar Surface Area
531.36
LOGP Value
-13.79 (
Computed with XLOGP3
)
-11.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 9
Canonical SMILES
OC[C@H]1O[C@@H](OCc2nnn(c2)[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)c2nnn(c2)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)n2nnc(c2)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)n2nnc(c2)CO[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O
InChI String
InChI=1S/C40H60N12O24/c53-5-16-21(49-1-12(41-45-49)10-70-39-34(68)29(63)24(58)19(8-56)75-39)26(60)31(65)36(72-16)14-3-51(47-43-14)23-18(7-55)74-38(33(67)28(23)62)52-4-15(44-48-52)37-32(66)27(61)22(17(6-54)73-37)50-2-13(42-46-50)11-71-40-35(69)30(64)25(59)20(9-57)76-40/h1-4,16-40,53-69H,5-11H2/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q05097
Entrez Gene ID
NCBI Entrez Gene ID:
882335
ASD
Information of known allosteric effects of PDB entries
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