Browse entries in the PDBbind-CN Database
HEADER 5UWK_COMPLEX COMPND 5UWK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 PHE PRO ARG THR LEU LYS TRP SER LYS MET ASN LEU THR SEQRES 2 A 142 TYR ARG ILE VAL ASN TYR THR PRO ASP MET THR HIS SER SEQRES 3 A 142 GLU VAL GLU LYS ALA PHE LYS LYS ALA PHE LYS VAL TRP SEQRES 4 A 142 SER ASP VAL THR PRO LEU ASN PHE THR ARG LEU HIS ASP SEQRES 5 A 142 GLY ILE ALA ASP ILE MET ILE SER PHE GLY ILE LYS GLU SEQRES 6 A 142 HIS GLY ASP PHE TYR PRO PHE ASP GLY PRO SER GLY LEU SEQRES 7 A 142 LEU ALA HIS ALA PHE PRO PRO GLY PRO ASN TYR GLY GLY SEQRES 8 A 142 ASP ALA HIS PHE ASP ASP ASP GLU THR TRP THR SER SER SEQRES 9 A 142 SER LYS GLY TYR ASN LEU PHE LEU VAL ALA ALA HIS GLU SEQRES 10 A 142 PHE GLY HIS SER LEU GLY LEU ASP HIS SER LYS ASP PRO SEQRES 11 A 142 GLY ALA LEU MET PHE PRO ILE TYR THR TYR THR GLY SEQRES 1 A 18 PHE MET LEU PRO ASP ASP ASP VAL GLN GLY ILE GLN SER SEQRES 2 A 18 LEU TYR GLY PRO GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET UNN A 351 61 ATOM 1 N PHE A 107 5.047 -5.596 2.925 1.00 51.30 N ATOM 2 CA PHE A 107 5.272 -4.273 2.339 1.00 52.09 C ATOM 3 C PHE A 107 3.959 -3.492 2.206 1.00 56.56 C ATOM 4 O PHE A 107 2.950 -4.050 1.770 1.00 59.49 O ATOM 5 CB PHE A 107 5.939 -4.389 0.951 1.00 48.30 C ATOM 6 CG PHE A 107 6.222 -3.060 0.307 1.00 38.42 C ATOM 7 CD1 PHE A 107 7.368 -2.364 0.637 1.00 33.78 C ATOM 8 CD2 PHE A 107 5.328 -2.493 -0.592 1.00 34.38 C ATOM 9 CE1 PHE A 107 7.624 -1.154 0.091 1.00 31.84 C ATOM 10 CE2 PHE A 107 5.584 -1.253 -1.143 1.00 30.51 C ATOM 11 CZ PHE A 107 6.737 -0.586 -0.801 1.00 32.60 C ATOM 12 HN3 PHE A 107 4.399 -6.137 2.317 1.00 0.00 H ATOM 13 HN2 PHE A 107 4.628 -5.488 3.871 1.00 0.00 H ATOM 14 HN1 PHE A 107 5.954 -6.099 3.001 1.00 0.00 H ATOM 15 N PRO A 108 3.951 -2.203 2.590 1.00 56.90 N ATOM 16 CA PRO A 108 4.945 -1.415 3.319 1.00 56.16 C ATOM 17 C PRO A 108 4.489 -1.215 4.749 1.00 55.33 C ATOM 18 O PRO A 108 3.587 -0.408 4.973 1.00 57.07 O ATOM 19 CB PRO A 108 4.950 -0.098 2.564 1.00 57.20 C ATOM 20 CG PRO A 108 3.526 0.065 2.131 1.00 58.29 C ATOM 21 CD PRO A 108 2.903 -1.321 2.048 1.00 56.93 C ATOM 22 N ARG A 109 5.086 -1.927 5.700 1.00 54.26 N ATOM 23 CA ARG A 109 4.561 -1.931 7.061 1.00 56.08 C ATOM 24 C ARG A 109 5.197 -0.825 7.908 1.00 51.96 C ATOM 25 O ARG A 109 4.486 0.037 8.435 1.00 48.31 O ATOM 26 CB ARG A 109 4.761 -3.322 7.682 1.00 60.94 C ATOM 27 CG ARG A 109 6.195 -3.605 8.100 1.00 65.78 C ATOM 28 CD ARG A 109 6.583 -5.064 8.245 1.00 68.74 C ATOM 29 NE ARG A 109 8.027 -5.145 8.475 1.00 71.09 N ATOM 30 CZ ARG A 109 8.949 -5.014 7.522 1.00 71.31 C ATOM 31 NH1 ARG A 109 8.595 -4.817 6.259 1.00 70.81 N ATOM 32 NH2 ARG A 109 10.237 -5.085 7.833 1.00 72.20 N ATOM 33 HE ARG A 109 8.355 -5.316 9.447 1.00 0.00 H ATOM 34 HH12 ARG A 109 9.324 -4.716 5.524 1.00 0.00 H ATOM 35 HH11 ARG A 109 7.588 -4.763 6.003 1.00 0.00 H ATOM 36 HH22 ARG A 109 10.958 -4.983 7.090 1.00 0.00 H ATOM 37 HH21 ARG A 109 10.526 -5.243 8.820 1.00 0.00 H ATOM 38 H ARG A 109 5.933 -2.485 5.472 1.00 0.00 H ATOM 39 N THR A 110 6.531 -0.810 8.013 1.00 50.64 N ATOM 40 CA THR A 110 7.238 0.140 8.866 1.00 49.94 C ATOM 41 C THR A 110 8.210 0.979 8.049 1.00 48.50 C ATOM 42 O THR A 110 8.577 0.650 6.918 1.00 48.36 O ATOM 43 CB THR A 110 8.023 -0.538 10.004 1.00 48.97 C ATOM 44 OG1 THR A 110 9.032 -1.403 9.458 1.00 48.36 O ATOM 45 CG2 THR A 110 7.096 -1.306 10.957 1.00 48.34 C ATOM 46 HG1 THR A 110 9.531 -1.834 10.197 1.00 0.00 H ATOM 47 H THR A 110 7.084 -1.501 7.467 1.00 0.00 H ATOM 48 N LEU A 111 8.664 2.047 8.697 1.00 46.80 N ATOM 49 CA LEU A 111 9.316 3.174 8.051 1.00 43.31 C ATOM 50 C LEU A 111 9.771 4.099 9.169 1.00 37.49 C ATOM 51 O LEU A 111 9.122 4.139 10.212 1.00 40.41 O ATOM 52 CB LEU A 111 8.330 3.864 7.109 1.00 45.12 C ATOM 53 CG LEU A 111 8.834 5.033 6.289 1.00 47.50 C ATOM 54 CD1 LEU A 111 9.901 4.517 5.362 1.00 47.85 C ATOM 55 CD2 LEU A 111 7.682 5.686 5.530 1.00 46.87 C ATOM 56 H LEU A 111 8.545 2.078 9.730 1.00 0.00 H ATOM 57 N LYS A 112 10.857 4.838 9.015 1.00 31.81 N ATOM 58 CA LYS A 112 11.262 5.720 10.095 1.00 30.33 C ATOM 59 C LYS A 112 11.597 7.107 9.575 1.00 27.04 C ATOM 60 O LYS A 112 11.991 7.289 8.419 1.00 27.03 O ATOM 61 CB LYS A 112 12.446 5.156 10.878 1.00 32.51 C ATOM 62 CG LYS A 112 13.728 5.045 10.097 1.00 36.17 C ATOM 63 CD LYS A 112 14.876 4.675 11.010 1.00 40.58 C ATOM 64 CE LYS A 112 16.140 4.487 10.219 1.00 45.29 C ATOM 65 NZ LYS A 112 15.956 3.481 9.111 1.00 48.26 N ATOM 66 HZ1 LYS A 112 15.683 2.564 9.519 1.00 0.00 H ATOM 67 HZ2 LYS A 112 15.210 3.810 8.466 1.00 0.00 H ATOM 68 HZ3 LYS A 112 16.848 3.377 8.587 1.00 0.00 H ATOM 69 H LYS A 112 11.411 4.788 8.136 1.00 0.00 H ATOM 70 N TRP A 113 11.404 8.087 10.457 1.00 23.30 N ATOM 71 CA TRP A 113 11.872 9.441 10.204 1.00 22.76 C ATOM 72 C TRP A 113 13.386 9.450 10.085 1.00 24.85 C ATOM 73 O TRP A 113 14.083 8.763 10.837 1.00 25.16 O ATOM 74 CB TRP A 113 11.458 10.382 11.336 1.00 20.27 C ATOM 75 CG TRP A 113 9.982 10.651 11.445 1.00 18.06 C ATOM 76 CD1 TRP A 113 9.083 9.969 12.204 1.00 18.36 C ATOM 77 CD2 TRP A 113 9.250 11.688 10.786 1.00 17.33 C ATOM 78 NE1 TRP A 113 7.823 10.519 12.060 1.00 16.95 N ATOM 79 CE2 TRP A 113 7.900 11.571 11.192 1.00 17.62 C ATOM 80 CE3 TRP A 113 9.600 12.709 9.897 1.00 19.42 C ATOM 81 CZ2 TRP A 113 6.901 12.432 10.736 1.00 20.23 C ATOM 82 CZ3 TRP A 113 8.606 13.561 9.440 1.00 19.63 C ATOM 83 CH2 TRP A 113 7.274 13.428 9.870 1.00 21.00 C ATOM 84 HE1 TRP A 113 6.959 10.187 12.534 1.00 0.00 H ATOM 85 H TRP A 113 10.907 7.879 11.347 1.00 0.00 H ATOM 86 N SER A 114 13.886 10.256 9.148 1.00 28.25 N ATOM 87 CA SER A 114 15.322 10.474 8.991 1.00 32.85 C ATOM 88 C SER A 114 15.917 11.368 10.064 1.00 31.42 C ATOM 89 O SER A 114 17.141 11.536 10.093 1.00 34.30 O ATOM 90 CB SER A 114 15.617 11.098 7.633 1.00 38.09 C ATOM 91 OG SER A 114 15.457 10.139 6.604 1.00 43.19 O ATOM 92 HG SER A 114 15.652 10.560 5.729 1.00 0.00 H ATOM 93 H SER A 114 13.231 10.747 8.506 1.00 0.00 H ATOM 94 N LYS A 115 15.097 11.970 10.916 1.00 27.02 N ATOM 95 CA LYS A 115 15.587 12.793 12.010 1.00 27.14 C ATOM 96 C LYS A 115 14.857 12.392 13.277 1.00 25.95 C ATOM 97 O LYS A 115 13.765 11.817 13.230 1.00 25.71 O ATOM 98 CB LYS A 115 15.390 14.291 11.749 1.00 26.58 C ATOM 99 CG LYS A 115 13.932 14.743 11.706 1.00 27.18 C ATOM 100 CD LYS A 115 13.785 16.160 11.139 1.00 30.90 C ATOM 101 CE LYS A 115 12.302 16.560 11.019 1.00 33.38 C ATOM 102 NZ LYS A 115 12.055 17.780 10.196 1.00 33.24 N ATOM 103 HZ1 LYS A 115 12.554 18.589 10.619 1.00 0.00 H ATOM 104 HZ2 LYS A 115 12.405 17.622 9.230 1.00 0.00 H ATOM 105 HZ3 LYS A 115 11.034 17.977 10.168 1.00 0.00 H ATOM 106 H LYS A 115 14.071 11.849 10.797 1.00 0.00 H ATOM 107 N MET A 116 15.465 12.701 14.420 1.00 26.80 N ATOM 108 CA MET A 116 14.878 12.330 15.693 1.00 25.56 C ATOM 109 C MET A 116 14.462 13.508 16.555 1.00 23.09 C ATOM 110 O MET A 116 13.831 13.298 17.605 1.00 23.54 O ATOM 111 CB MET A 116 15.842 11.420 16.442 1.00 30.45 C ATOM 112 CG MET A 116 15.930 10.063 15.720 1.00 34.15 C ATOM 113 SD MET A 116 16.753 8.809 16.663 1.00 34.64 S ATOM 114 CE MET A 116 18.369 9.568 16.845 1.00 35.83 C ATOM 115 H MET A 116 16.370 13.213 14.400 1.00 0.00 H ATOM 116 N ASN A 117 14.745 14.734 16.119 1.00 23.06 N ATOM 117 CA ASN A 117 14.182 15.937 16.705 1.00 21.13 C ATOM 118 C ASN A 117 12.929 16.265 15.912 1.00 19.71 C ATOM 119 O ASN A 117 13.022 16.688 14.755 1.00 21.93 O ATOM 120 CB ASN A 117 15.189 17.084 16.624 1.00 23.62 C ATOM 121 CG ASN A 117 16.536 16.715 17.225 1.00 26.76 C ATOM 122 OD1 ASN A 117 16.616 16.347 18.390 1.00 29.26 O ATOM 123 ND2 ASN A 117 17.594 16.824 16.428 1.00 30.09 N ATOM 124 HD22 ASN A 117 17.474 17.141 15.445 1.00 0.00 H ATOM 125 HD21 ASN A 117 18.542 16.592 16.787 1.00 0.00 H ATOM 126 H ASN A 117 15.402 14.835 15.319 1.00 0.00 H ATOM 127 N LEU A 118 11.765 16.007 16.499 1.00 20.83 N ATOM 128 CA LEU A 118 10.485 16.176 15.821 1.00 18.87 C ATOM 129 C LEU A 118 9.646 17.226 16.535 1.00 17.88 C ATOM 130 O LEU A 118 9.718 17.379 17.756 1.00 19.86 O ATOM 131 CB LEU A 118 9.713 14.848 15.764 1.00 18.05 C ATOM 132 CG LEU A 118 10.401 13.764 14.940 1.00 20.87 C ATOM 133 CD1 LEU A 118 9.789 12.402 15.200 1.00 22.43 C ATOM 134 CD2 LEU A 118 10.347 14.123 13.448 1.00 23.37 C ATOM 135 H LEU A 118 11.767 15.670 17.483 1.00 0.00 H ATOM 136 N THR A 119 8.879 17.980 15.761 1.00 18.12 N ATOM 137 CA THR A 119 7.955 18.957 16.316 1.00 17.28 C ATOM 138 C THR A 119 6.523 18.501 16.114 1.00 16.03 C ATOM 139 O THR A 119 6.215 17.734 15.199 1.00 15.57 O ATOM 140 CB THR A 119 8.132 20.340 15.674 1.00 17.11 C ATOM 141 OG1 THR A 119 7.974 20.257 14.250 1.00 17.14 O ATOM 142 CG2 THR A 119 9.500 20.892 16.009 1.00 16.92 C ATOM 143 HG1 THR A 119 8.091 21.156 13.853 1.00 0.00 H ATOM 144 H THR A 119 8.939 17.870 14.729 1.00 0.00 H ATOM 145 N TYR A 120 5.651 19.011 16.980 1.00 15.53 N ATOM 146 CA TYR A 120 4.221 18.777 16.839 1.00 14.91 C ATOM 147 C TYR A 120 3.460 20.055 17.128 1.00 14.60 C ATOM 148 O TYR A 120 3.962 20.963 17.784 1.00 15.33 O ATOM 149 CB TYR A 120 3.719 17.654 17.757 1.00 16.03 C ATOM 150 CG TYR A 120 3.652 17.902 19.245 1.00 14.18 C ATOM 151 CD1 TYR A 120 4.738 17.627 20.061 1.00 14.56 C ATOM 152 CD2 TYR A 120 2.476 18.341 19.848 1.00 14.80 C ATOM 153 CE1 TYR A 120 4.664 17.789 21.420 1.00 16.88 C ATOM 154 CE2 TYR A 120 2.388 18.505 21.209 1.00 15.53 C ATOM 155 CZ TYR A 120 3.484 18.228 22.001 1.00 18.02 C ATOM 156 OH TYR A 120 3.408 18.383 23.379 1.00 20.84 O ATOM 157 HH TYR A 120 4.278 18.142 23.785 1.00 0.00 H ATOM 158 H TYR A 120 5.998 19.588 17.773 1.00 0.00 H ATOM 159 N ARG A 121 2.224 20.115 16.621 1.00 12.86 N ATOM 160 CA ARG A 121 1.349 21.253 16.844 1.00 12.08 C ATOM 161 C ARG A 121 -0.074 20.753 17.040 1.00 12.64 C ATOM 162 O ARG A 121 -0.569 19.976 16.225 1.00 11.77 O ATOM 163 CB ARG A 121 1.393 22.237 15.668 1.00 13.49 C ATOM 164 CG ARG A 121 0.336 23.313 15.734 1.00 14.91 C ATOM 165 CD ARG A 121 0.553 24.365 14.671 1.00 16.52 C ATOM 166 NE ARG A 121 -0.656 25.168 14.483 1.00 15.42 N ATOM 167 CZ ARG A 121 -0.996 25.769 13.346 1.00 16.30 C ATOM 168 NH1 ARG A 121 -0.222 25.680 12.272 1.00 17.22 N ATOM 169 NH2 ARG A 121 -2.144 26.445 13.274 1.00 17.09 N ATOM 170 HE ARG A 121 -1.295 25.277 15.296 1.00 0.00 H ATOM 171 HH12 ARG A 121 -0.500 26.155 11.390 1.00 0.00 H ATOM 172 HH11 ARG A 121 0.663 25.135 12.312 1.00 0.00 H ATOM 173 HH22 ARG A 121 -2.415 26.917 12.388 1.00 0.00 H ATOM 174 HH21 ARG A 121 -2.768 26.500 14.104 1.00 0.00 H ATOM 175 H ARG A 121 1.877 19.320 16.047 1.00 0.00 H ATOM 176 N ILE A 122 -0.730 21.218 18.097 1.00 13.37 N ATOM 177 CA ILE A 122 -2.151 20.957 18.300 1.00 13.20 C ATOM 178 C ILE A 122 -2.899 22.063 17.572 1.00 12.45 C ATOM 179 O ILE A 122 -2.947 23.201 18.047 1.00 14.86 O ATOM 180 CB ILE A 122 -2.531 20.921 19.781 1.00 13.27 C ATOM 181 CG1 ILE A 122 -1.640 19.972 20.563 1.00 14.55 C ATOM 182 CG2 ILE A 122 -3.987 20.505 19.927 1.00 15.20 C ATOM 183 CD1 ILE A 122 -1.822 20.061 22.087 1.00 16.12 C ATOM 184 H ILE A 122 -0.216 21.785 18.801 1.00 0.00 H ATOM 185 N VAL A 123 -3.519 21.717 16.441 1.00 13.16 N ATOM 186 CA VAL A 123 -4.112 22.724 15.565 1.00 14.09 C ATOM 187 C VAL A 123 -5.439 23.236 16.121 1.00 14.27 C ATOM 188 O VAL A 123 -5.735 24.435 16.030 1.00 14.54 O ATOM 189 CB VAL A 123 -4.264 22.132 14.151 1.00 14.04 C ATOM 190 CG1 VAL A 123 -5.018 23.068 13.241 1.00 14.56 C ATOM 191 CG2 VAL A 123 -2.881 21.854 13.575 1.00 14.36 C ATOM 192 H VAL A 123 -3.581 20.712 16.179 1.00 0.00 H ATOM 193 N ASN A 124 -6.233 22.362 16.738 1.00 12.53 N ATOM 194 CA ASN A 124 -7.521 22.734 17.310 1.00 13.17 C ATOM 195 C ASN A 124 -7.849 21.721 18.400 1.00 12.46 C ATOM 196 O ASN A 124 -7.096 20.776 18.646 1.00 14.13 O ATOM 197 CB ASN A 124 -8.612 22.831 16.231 1.00 12.43 C ATOM 198 CG ASN A 124 -8.771 21.550 15.420 1.00 16.48 C ATOM 199 OD1 ASN A 124 -8.399 20.467 15.852 1.00 13.83 O ATOM 200 ND2 ASN A 124 -9.341 21.679 14.242 1.00 21.64 N ATOM 201 HD22 ASN A 124 -9.643 22.617 13.911 1.00 0.00 H ATOM 202 HD21 ASN A 124 -9.489 20.843 13.642 1.00 0.00 H ATOM 203 H ASN A 124 -5.921 21.373 16.815 1.00 0.00 H ATOM 204 N TYR A 125 -8.974 21.942 19.072 1.00 14.07 N ATOM 205 CA TYR A 125 -9.305 21.250 20.306 1.00 12.43 C ATOM 206 C TYR A 125 -10.726 20.706 20.244 1.00 13.28 C ATOM 207 O TYR A 125 -11.621 21.376 19.733 1.00 13.58 O ATOM 208 CB TYR A 125 -9.178 22.201 21.483 1.00 13.94 C ATOM 209 CG TYR A 125 -7.758 22.506 21.844 1.00 16.49 C ATOM 210 CD1 TYR A 125 -7.022 23.413 21.111 1.00 19.19 C ATOM 211 CD2 TYR A 125 -7.150 21.872 22.917 1.00 19.29 C ATOM 212 CE1 TYR A 125 -5.705 23.695 21.446 1.00 20.96 C ATOM 213 CE2 TYR A 125 -5.843 22.140 23.265 1.00 17.71 C ATOM 214 CZ TYR A 125 -5.128 23.058 22.537 1.00 19.91 C ATOM 215 OH TYR A 125 -3.821 23.321 22.897 1.00 23.09 O ATOM 216 HH TYR A 125 -3.798 23.665 23.825 1.00 0.00 H ATOM 217 H TYR A 125 -9.647 22.641 18.698 1.00 0.00 H ATOM 218 N THR A 126 -10.920 19.505 20.778 1.00 13.28 N ATOM 219 CA THR A 126 -12.249 18.916 20.880 1.00 12.84 C ATOM 220 C THR A 126 -13.115 19.662 21.897 1.00 13.38 C ATOM 221 O THR A 126 -12.619 20.123 22.923 1.00 14.85 O ATOM 222 CB THR A 126 -12.160 17.440 21.292 1.00 12.38 C ATOM 223 OG1 THR A 126 -13.480 16.937 21.511 1.00 14.50 O ATOM 224 CG2 THR A 126 -11.388 17.259 22.566 1.00 14.50 C ATOM 225 HG1 THR A 126 -14.006 17.020 20.677 1.00 0.00 H ATOM 226 H THR A 126 -10.101 18.971 21.133 1.00 0.00 H ATOM 227 N PRO A 127 -14.429 19.756 21.650 1.00 12.61 N ATOM 228 CA PRO A 127 -15.349 20.240 22.696 1.00 15.18 C ATOM 229 C PRO A 127 -15.413 19.354 23.922 1.00 17.47 C ATOM 230 O PRO A 127 -15.954 19.786 24.951 1.00 17.90 O ATOM 231 CB PRO A 127 -16.710 20.254 21.989 1.00 15.33 C ATOM 232 CG PRO A 127 -16.376 20.206 20.510 1.00 15.29 C ATOM 233 CD PRO A 127 -15.132 19.414 20.411 1.00 15.49 C ATOM 234 N ASP A 128 -14.913 18.118 23.833 1.00 14.54 N ATOM 235 CA ASP A 128 -15.193 17.089 24.829 1.00 16.12 C ATOM 236 C ASP A 128 -14.392 17.248 26.110 1.00 17.27 C ATOM 237 O ASP A 128 -14.788 16.699 27.147 1.00 19.16 O ATOM 238 CB ASP A 128 -14.886 15.693 24.264 1.00 16.36 C ATOM 239 CG ASP A 128 -15.648 15.384 22.995 1.00 20.22 C ATOM 240 OD1 ASP A 128 -16.517 16.186 22.605 1.00 23.63 O ATOM 241 OD2 ASP A 128 -15.398 14.312 22.395 1.00 19.52 O ATOM 242 H ASP A 128 -14.303 17.881 23.025 1.00 0.00 H ATOM 243 N MET A 129 -13.269 17.943 26.049 1.00 15.91 N ATOM 244 CA MET A 129 -12.302 17.979 27.131 1.00 15.66 C ATOM 245 C MET A 129 -11.804 19.408 27.242 1.00 18.19 C ATOM 246 O MET A 129 -11.967 20.206 26.324 1.00 20.82 O ATOM 247 CB MET A 129 -11.135 17.015 26.871 1.00 17.68 C ATOM 248 CG MET A 129 -11.550 15.530 26.718 1.00 18.87 C ATOM 249 SD MET A 129 -10.270 14.468 26.013 1.00 18.91 S ATOM 250 CE MET A 129 -8.916 14.704 27.154 1.00 20.89 C ATOM 251 H MET A 129 -13.069 18.489 25.187 1.00 0.00 H ATOM 252 N THR A 130 -11.195 19.727 28.372 1.00 19.81 N ATOM 253 CA THR A 130 -10.578 21.034 28.531 1.00 20.50 C ATOM 254 C THR A 130 -9.290 21.096 27.713 1.00 20.08 C ATOM 255 O THR A 130 -8.672 20.066 27.418 1.00 19.25 O ATOM 256 CB THR A 130 -10.274 21.315 30.005 1.00 25.38 C ATOM 257 OG1 THR A 130 -9.278 20.400 30.476 1.00 26.04 O ATOM 258 CG2 THR A 130 -11.542 21.177 30.863 1.00 22.33 C ATOM 259 HG1 THR A 130 -8.451 20.511 29.943 1.00 0.00 H ATOM 260 H THR A 130 -11.157 19.039 29.151 1.00 0.00 H ATOM 261 N HIS A 131 -8.886 22.323 27.354 1.00 18.88 N ATOM 262 CA HIS A 131 -7.591 22.523 26.707 1.00 19.53 C ATOM 263 C HIS A 131 -6.503 21.790 27.481 1.00 18.26 C ATOM 264 O HIS A 131 -5.684 21.079 26.896 1.00 17.22 O ATOM 265 CB HIS A 131 -7.239 24.019 26.607 1.00 23.62 C ATOM 266 CG HIS A 131 -8.046 24.790 25.605 1.00 29.35 C ATOM 267 ND1 HIS A 131 -7.495 25.343 24.466 1.00 33.44 N ATOM 268 CD2 HIS A 131 -9.358 25.127 25.584 1.00 31.61 C ATOM 269 CE1 HIS A 131 -8.438 25.963 23.775 1.00 30.82 C ATOM 270 NE2 HIS A 131 -9.576 25.849 24.433 1.00 30.63 N ATOM 271 H HIS A 131 -9.501 23.141 27.538 1.00 0.00 H ATOM 272 N SER A 132 -6.480 21.954 28.813 1.00 18.27 N ATOM 273 CA SER A 132 -5.418 21.345 29.616 1.00 18.85 C ATOM 274 C SER A 132 -5.433 19.831 29.517 1.00 18.76 C ATOM 275 O SER A 132 -4.368 19.197 29.449 1.00 19.97 O ATOM 276 CB SER A 132 -5.548 21.750 31.079 1.00 23.09 C ATOM 277 OG SER A 132 -5.334 23.113 31.194 1.00 25.25 O ATOM 278 HG SER A 132 -4.425 23.332 30.867 1.00 0.00 H ATOM 279 H SER A 132 -7.221 22.517 29.277 1.00 0.00 H ATOM 280 N GLU A 133 -6.620 19.230 29.581 1.00 20.49 N ATOM 281 CA GLU A 133 -6.728 17.780 29.468 1.00 19.74 C ATOM 282 C GLU A 133 -6.188 17.299 28.127 1.00 16.34 C ATOM 283 O GLU A 133 -5.480 16.287 28.066 1.00 17.72 O ATOM 284 CB GLU A 133 -8.190 17.334 29.648 1.00 26.49 C ATOM 285 CG GLU A 133 -8.712 17.373 31.081 1.00 31.60 C ATOM 286 CD GLU A 133 -10.252 17.244 31.200 1.00 35.98 C ATOM 287 OE1 GLU A 133 -10.973 17.258 30.187 1.00 31.14 O ATOM 288 OE2 GLU A 133 -10.748 17.142 32.344 1.00 43.04 O ATOM 289 H GLU A 133 -7.479 19.801 29.713 1.00 0.00 H ATOM 290 N VAL A 134 -6.487 18.025 27.042 1.00 14.52 N ATOM 291 CA VAL A 134 -6.009 17.623 25.718 1.00 15.46 C ATOM 292 C VAL A 134 -4.494 17.747 25.648 1.00 15.92 C ATOM 293 O VAL A 134 -3.795 16.853 25.153 1.00 14.87 O ATOM 294 CB VAL A 134 -6.696 18.464 24.628 1.00 15.07 C ATOM 295 CG1 VAL A 134 -6.071 18.216 23.258 1.00 16.43 C ATOM 296 CG2 VAL A 134 -8.169 18.139 24.590 1.00 14.49 C ATOM 297 H VAL A 134 -7.065 18.884 27.141 1.00 0.00 H ATOM 298 N GLU A 135 -3.970 18.867 26.134 1.00 14.41 N ATOM 299 CA GLU A 135 -2.529 19.086 26.125 1.00 17.05 C ATOM 300 C GLU A 135 -1.790 18.035 26.953 1.00 16.77 C ATOM 301 O GLU A 135 -0.771 17.497 26.504 1.00 15.15 O ATOM 302 CB GLU A 135 -2.239 20.502 26.625 1.00 18.24 C ATOM 303 CG GLU A 135 -2.686 21.539 25.624 1.00 20.90 C ATOM 304 CD GLU A 135 -2.854 22.948 26.181 1.00 28.51 C ATOM 305 OE1 GLU A 135 -2.592 23.192 27.384 1.00 29.98 O ATOM 306 OE2 GLU A 135 -3.267 23.816 25.373 1.00 30.48 O ATOM 307 H GLU A 135 -4.597 19.598 26.527 1.00 0.00 H ATOM 308 N LYS A 136 -2.282 17.728 28.164 1.00 18.70 N ATOM 309 CA LYS A 136 -1.668 16.675 28.976 1.00 18.97 C ATOM 310 C LYS A 136 -1.672 15.335 28.258 1.00 18.89 C ATOM 311 O LYS A 136 -0.678 14.596 28.302 1.00 19.53 O ATOM 312 CB LYS A 136 -2.405 16.510 30.304 1.00 22.35 C ATOM 313 CG LYS A 136 -2.230 17.616 31.318 1.00 27.48 C ATOM 314 CD LYS A 136 -2.856 17.188 32.643 1.00 31.75 C ATOM 315 CE LYS A 136 -2.579 18.183 33.751 1.00 37.45 C ATOM 316 NZ LYS A 136 -3.232 17.771 35.034 1.00 40.71 N ATOM 317 HZ1 LYS A 136 -4.261 17.711 34.894 1.00 0.00 H ATOM 318 HZ2 LYS A 136 -2.866 16.842 35.325 1.00 0.00 H ATOM 319 HZ3 LYS A 136 -3.021 18.475 35.770 1.00 0.00 H ATOM 320 H LYS A 136 -3.108 18.244 28.529 1.00 0.00 H ATOM 321 N ALA A 137 -2.803 14.985 27.635 1.00 16.69 N ATOM 322 CA ALA A 137 -2.926 13.695 26.963 1.00 14.33 C ATOM 323 C ALA A 137 -1.875 13.549 25.864 1.00 15.87 C ATOM 324 O ALA A 137 -1.172 12.534 25.788 1.00 13.89 O ATOM 325 CB ALA A 137 -4.352 13.539 26.398 1.00 13.86 C ATOM 326 H ALA A 137 -3.608 15.643 27.629 1.00 0.00 H ATOM 327 N PHE A 138 -1.724 14.577 25.020 1.00 15.70 N ATOM 328 CA PHE A 138 -0.779 14.483 23.910 1.00 14.67 C ATOM 329 C PHE A 138 0.668 14.515 24.400 1.00 14.28 C ATOM 330 O PHE A 138 1.530 13.814 23.848 1.00 15.48 O ATOM 331 CB PHE A 138 -1.035 15.611 22.910 1.00 14.52 C ATOM 332 CG PHE A 138 -2.318 15.446 22.104 1.00 13.80 C ATOM 333 CD1 PHE A 138 -2.773 14.201 21.729 1.00 16.79 C ATOM 334 CD2 PHE A 138 -3.043 16.564 21.704 1.00 14.60 C ATOM 335 CE1 PHE A 138 -3.936 14.066 20.986 1.00 15.99 C ATOM 336 CE2 PHE A 138 -4.198 16.441 20.955 1.00 13.84 C ATOM 337 CZ PHE A 138 -4.650 15.190 20.604 1.00 14.11 C ATOM 338 H PHE A 138 -2.281 15.445 25.155 1.00 0.00 H ATOM 339 N LYS A 139 0.965 15.327 25.421 1.00 16.07 N ATOM 340 CA LYS A 139 2.328 15.367 25.949 1.00 16.71 C ATOM 341 C LYS A 139 2.726 14.013 26.548 1.00 19.30 C ATOM 342 O LYS A 139 3.833 13.515 26.311 1.00 19.89 O ATOM 343 CB LYS A 139 2.462 16.484 26.994 1.00 20.11 C ATOM 344 CG LYS A 139 3.864 16.603 27.595 1.00 23.84 C ATOM 345 CD LYS A 139 3.880 17.649 28.709 1.00 31.55 C ATOM 346 CE LYS A 139 4.713 18.840 28.340 1.00 36.78 C ATOM 347 NZ LYS A 139 6.146 18.553 28.622 1.00 38.48 N ATOM 348 HZ1 LYS A 139 6.264 18.348 29.635 1.00 0.00 H ATOM 349 HZ2 LYS A 139 6.450 17.731 28.063 1.00 0.00 H ATOM 350 HZ3 LYS A 139 6.721 19.381 28.365 1.00 0.00 H ATOM 351 H LYS A 139 0.227 15.929 25.839 1.00 0.00 H ATOM 352 N LYS A 140 1.825 13.399 27.316 1.00 17.12 N ATOM 353 CA LYS A 140 2.088 12.087 27.890 1.00 18.13 C ATOM 354 C LYS A 140 2.236 11.035 26.800 1.00 18.97 C ATOM 355 O LYS A 140 3.047 10.102 26.922 1.00 17.34 O ATOM 356 CB LYS A 140 0.951 11.725 28.847 1.00 22.42 C ATOM 357 CG LYS A 140 1.211 10.514 29.707 1.00 27.21 C ATOM 358 CD LYS A 140 0.006 10.239 30.618 1.00 33.26 C ATOM 359 CE LYS A 140 0.006 8.826 31.182 1.00 38.07 C ATOM 360 NZ LYS A 140 -1.255 8.552 31.930 1.00 42.29 N ATOM 361 HZ1 LYS A 140 -1.344 9.227 32.716 1.00 0.00 H ATOM 362 HZ2 LYS A 140 -2.067 8.657 31.289 1.00 0.00 H ATOM 363 HZ3 LYS A 140 -1.231 7.582 32.305 1.00 0.00 H ATOM 364 H LYS A 140 0.916 13.867 27.509 1.00 0.00 H ATOM 365 N ALA A 141 1.459 11.173 25.725 1.00 18.13 N ATOM 366 CA ALA A 141 1.499 10.203 24.636 1.00 15.84 C ATOM 367 C ALA A 141 2.825 10.248 23.880 1.00 15.48 C ATOM 368 O ALA A 141 3.342 9.201 23.473 1.00 15.89 O ATOM 369 CB ALA A 141 0.316 10.452 23.699 1.00 14.49 C ATOM 370 H ALA A 141 0.814 11.986 25.662 1.00 0.00 H ATOM 371 N PHE A 142 3.389 11.441 23.666 1.00 15.77 N ATOM 372 CA PHE A 142 4.711 11.521 23.054 1.00 16.10 C ATOM 373 C PHE A 142 5.789 10.982 23.991 1.00 16.97 C ATOM 374 O PHE A 142 6.756 10.352 23.539 1.00 15.25 O ATOM 375 CB PHE A 142 5.024 12.970 22.647 1.00 14.25 C ATOM 376 CG PHE A 142 4.357 13.401 21.359 1.00 14.73 C ATOM 377 CD1 PHE A 142 4.670 12.785 20.150 1.00 15.54 C ATOM 378 CD2 PHE A 142 3.433 14.431 21.356 1.00 14.51 C ATOM 379 CE1 PHE A 142 4.056 13.176 18.978 1.00 16.83 C ATOM 380 CE2 PHE A 142 2.817 14.823 20.176 1.00 15.05 C ATOM 381 CZ PHE A 142 3.127 14.200 18.996 1.00 15.96 C ATOM 382 H PHE A 142 2.886 12.311 23.935 1.00 0.00 H ATOM 383 N LYS A 143 5.640 11.222 25.297 1.00 17.21 N ATOM 384 CA LYS A 143 6.653 10.800 26.258 1.00 18.72 C ATOM 385 C LYS A 143 6.748 9.281 26.328 1.00 17.34 C ATOM 386 O LYS A 143 7.827 8.740 26.603 1.00 16.76 O ATOM 387 CB LYS A 143 6.332 11.399 27.629 1.00 18.66 C ATOM 388 CG LYS A 143 7.409 11.249 28.681 1.00 24.07 C ATOM 389 CD LYS A 143 7.087 12.084 29.904 1.00 28.34 C ATOM 390 CE LYS A 143 8.065 11.820 31.033 1.00 33.15 C ATOM 391 NZ LYS A 143 8.044 10.409 31.467 1.00 35.82 N ATOM 392 HZ1 LYS A 143 7.090 10.164 31.800 1.00 0.00 H ATOM 393 HZ2 LYS A 143 8.300 9.797 30.666 1.00 0.00 H ATOM 394 HZ3 LYS A 143 8.727 10.275 32.239 1.00 0.00 H ATOM 395 H LYS A 143 4.789 11.717 25.633 1.00 0.00 H ATOM 396 N VAL A 144 5.639 8.577 26.082 1.00 17.83 N ATOM 397 CA VAL A 144 5.674 7.117 25.972 1.00 17.81 C ATOM 398 C VAL A 144 6.817 6.672 25.066 1.00 17.12 C ATOM 399 O VAL A 144 7.543 5.702 25.367 1.00 18.00 O ATOM 400 CB VAL A 144 4.313 6.608 25.452 1.00 20.12 C ATOM 401 CG1 VAL A 144 4.423 5.235 24.943 1.00 22.79 C ATOM 402 CG2 VAL A 144 3.281 6.665 26.541 1.00 18.84 C ATOM 403 H VAL A 144 4.734 9.076 25.966 1.00 0.00 H ATOM 404 N TRP A 145 6.969 7.337 23.921 1.00 15.04 N ATOM 405 CA TRP A 145 7.941 6.947 22.901 1.00 16.11 C ATOM 406 C TRP A 145 9.312 7.579 23.127 1.00 16.04 C ATOM 407 O TRP A 145 10.343 6.931 22.902 1.00 17.17 O ATOM 408 CB TRP A 145 7.397 7.318 21.508 1.00 15.04 C ATOM 409 CG TRP A 145 6.079 6.690 21.203 1.00 13.90 C ATOM 410 CD1 TRP A 145 4.881 7.329 21.053 1.00 13.81 C ATOM 411 CD2 TRP A 145 5.817 5.299 21.012 1.00 13.58 C ATOM 412 NE1 TRP A 145 3.888 6.415 20.797 1.00 15.86 N ATOM 413 CE2 TRP A 145 4.443 5.164 20.750 1.00 14.51 C ATOM 414 CE3 TRP A 145 6.614 4.148 21.026 1.00 15.40 C ATOM 415 CZ2 TRP A 145 3.853 3.928 20.519 1.00 15.50 C ATOM 416 CZ3 TRP A 145 6.010 2.910 20.803 1.00 15.61 C ATOM 417 CH2 TRP A 145 4.657 2.815 20.551 1.00 16.72 C ATOM 418 HE1 TRP A 145 2.881 6.637 20.661 1.00 0.00 H ATOM 419 H TRP A 145 6.370 8.169 23.746 1.00 0.00 H ATOM 420 N SER A 146 9.365 8.823 23.598 1.00 15.90 N ATOM 421 CA SER A 146 10.657 9.455 23.818 1.00 17.94 C ATOM 422 C SER A 146 11.377 8.851 25.012 1.00 18.92 C ATOM 423 O SER A 146 12.609 8.891 25.055 1.00 20.58 O ATOM 424 CB SER A 146 10.487 10.970 23.995 1.00 17.19 C ATOM 425 OG SER A 146 9.720 11.292 25.144 1.00 20.06 O ATOM 426 HG SER A 146 10.171 10.936 25.950 1.00 0.00 H ATOM 427 H SER A 146 8.488 9.340 23.808 1.00 0.00 H ATOM 428 N ASP A 147 10.639 8.268 25.973 1.00 20.18 N ATOM 429 CA ASP A 147 11.268 7.710 27.170 1.00 21.93 C ATOM 430 C ASP A 147 12.113 6.477 26.870 1.00 22.07 C ATOM 431 O ASP A 147 12.954 6.114 27.698 1.00 21.91 O ATOM 432 CB ASP A 147 10.210 7.326 28.222 1.00 24.33 C ATOM 433 CG ASP A 147 9.814 8.490 29.152 1.00 29.92 C ATOM 434 OD1 ASP A 147 10.465 9.559 29.149 1.00 32.12 O ATOM 435 OD2 ASP A 147 8.838 8.322 29.910 1.00 30.27 O ATOM 436 H ASP A 147 9.606 8.213 25.864 1.00 0.00 H ATOM 437 N VAL A 148 11.921 5.823 25.721 1.00 20.69 N ATOM 438 CA VAL A 148 12.615 4.574 25.432 1.00 19.77 C ATOM 439 C VAL A 148 13.415 4.632 24.131 1.00 20.54 C ATOM 440 O VAL A 148 13.854 3.596 23.639 1.00 21.56 O ATOM 441 CB VAL A 148 11.643 3.374 25.415 1.00 21.04 C ATOM 442 CG1 VAL A 148 10.911 3.253 26.746 1.00 22.44 C ATOM 443 CG2 VAL A 148 10.644 3.488 24.283 1.00 24.44 C ATOM 444 H VAL A 148 11.262 6.213 25.017 1.00 0.00 H ATOM 445 N THR A 149 13.643 5.831 23.579 1.00 20.02 N ATOM 446 CA THR A 149 14.364 6.018 22.316 1.00 19.02 C ATOM 447 C THR A 149 15.100 7.344 22.375 1.00 19.44 C ATOM 448 O THR A 149 14.930 8.084 23.346 1.00 22.33 O ATOM 449 CB THR A 149 13.425 6.065 21.107 1.00 19.66 C ATOM 450 OG1 THR A 149 12.607 7.237 21.204 1.00 20.35 O ATOM 451 CG2 THR A 149 12.577 4.790 20.996 1.00 22.08 C ATOM 452 HG1 THR A 149 12.078 7.200 22.040 1.00 0.00 H ATOM 453 H THR A 149 13.289 6.675 24.073 1.00 0.00 H ATOM 454 N PRO A 150 15.896 7.690 21.357 1.00 21.89 N ATOM 455 CA PRO A 150 16.476 9.038 21.282 1.00 21.64 C ATOM 456 C PRO A 150 15.545 10.087 20.706 1.00 22.47 C ATOM 457 O PRO A 150 15.982 11.229 20.510 1.00 22.40 O ATOM 458 CB PRO A 150 17.700 8.849 20.357 1.00 23.46 C ATOM 459 CG PRO A 150 17.883 7.374 20.189 1.00 22.28 C ATOM 460 CD PRO A 150 16.510 6.784 20.367 1.00 20.90 C ATOM 461 N LEU A 151 14.285 9.739 20.435 1.00 21.79 N ATOM 462 CA LEU A 151 13.352 10.716 19.904 1.00 20.01 C ATOM 463 C LEU A 151 13.098 11.797 20.941 1.00 23.16 C ATOM 464 O LEU A 151 13.044 11.530 22.148 1.00 23.82 O ATOM 465 CB LEU A 151 12.029 10.049 19.518 1.00 18.45 C ATOM 466 CG LEU A 151 12.080 8.984 18.424 1.00 20.95 C ATOM 467 CD1 LEU A 151 10.851 8.091 18.515 1.00 21.78 C ATOM 468 CD2 LEU A 151 12.137 9.623 17.064 1.00 21.73 C ATOM 469 H LEU A 151 13.970 8.763 20.605 1.00 0.00 H ATOM 470 N ASN A 152 12.958 13.030 20.469 1.00 22.52 N ATOM 471 CA ASN A 152 12.507 14.110 21.327 1.00 25.83 C ATOM 472 C ASN A 152 11.509 14.965 20.559 1.00 23.47 C ATOM 473 O ASN A 152 11.615 15.138 19.338 1.00 22.67 O ATOM 474 CB ASN A 152 13.669 14.953 21.864 1.00 31.07 C ATOM 475 CG ASN A 152 14.600 15.422 20.783 1.00 41.28 C ATOM 476 OD1 ASN A 152 14.431 16.514 20.227 1.00 47.73 O ATOM 477 ND2 ASN A 152 15.621 14.619 20.496 1.00 44.88 N ATOM 478 HD22 ASN A 152 15.722 13.709 20.990 1.00 0.00 H ATOM 479 HD21 ASN A 152 16.318 14.901 19.778 1.00 0.00 H ATOM 480 H ASN A 152 13.175 13.225 19.471 1.00 0.00 H ATOM 481 N PHE A 153 10.519 15.455 21.293 1.00 21.29 N ATOM 482 CA PHE A 153 9.343 16.090 20.725 1.00 18.28 C ATOM 483 C PHE A 153 9.194 17.469 21.337 1.00 20.98 C ATOM 484 O PHE A 153 9.220 17.607 22.566 1.00 25.55 O ATOM 485 CB PHE A 153 8.089 15.256 20.997 1.00 19.10 C ATOM 486 CG PHE A 153 8.122 13.895 20.371 1.00 18.51 C ATOM 487 CD1 PHE A 153 7.816 13.738 19.037 1.00 18.61 C ATOM 488 CD2 PHE A 153 8.464 12.768 21.120 1.00 18.77 C ATOM 489 CE1 PHE A 153 7.856 12.489 18.443 1.00 18.58 C ATOM 490 CE2 PHE A 153 8.492 11.509 20.546 1.00 18.77 C ATOM 491 CZ PHE A 153 8.183 11.359 19.201 1.00 18.51 C ATOM 492 H PHE A 153 10.588 15.381 22.328 1.00 0.00 H ATOM 493 N THR A 154 9.055 18.481 20.484 1.00 17.78 N ATOM 494 CA THR A 154 8.864 19.860 20.905 1.00 17.17 C ATOM 495 C THR A 154 7.541 20.367 20.354 1.00 17.48 C ATOM 496 O THR A 154 7.256 20.185 19.168 1.00 21.05 O ATOM 497 CB THR A 154 10.029 20.750 20.416 1.00 18.21 C ATOM 498 OG1 THR A 154 11.266 20.289 20.970 1.00 27.16 O ATOM 499 CG2 THR A 154 9.852 22.193 20.854 1.00 25.13 C ATOM 500 HG1 THR A 154 11.427 19.355 20.683 1.00 0.00 H ATOM 501 H THR A 154 9.084 18.275 19.465 1.00 0.00 H ATOM 502 N ARG A 155 6.746 21.005 21.213 1.00 18.00 N ATOM 503 CA ARG A 155 5.460 21.568 20.814 1.00 18.05 C ATOM 504 C ARG A 155 5.617 22.962 20.217 1.00 17.52 C ATOM 505 O ARG A 155 6.272 23.823 20.803 1.00 19.73 O ATOM 506 CB ARG A 155 4.532 21.641 22.025 1.00 17.83 C ATOM 507 CG ARG A 155 3.138 22.098 21.712 1.00 17.88 C ATOM 508 CD ARG A 155 2.290 22.135 22.949 1.00 20.20 C ATOM 509 NE ARG A 155 1.026 22.826 22.690 1.00 18.77 N ATOM 510 CZ ARG A 155 0.226 23.310 23.632 1.00 20.05 C ATOM 511 NH1 ARG A 155 -0.885 23.931 23.293 1.00 21.04 N ATOM 512 NH2 ARG A 155 0.524 23.163 24.912 1.00 22.68 N ATOM 513 HE ARG A 155 0.734 22.946 21.699 1.00 0.00 H ATOM 514 HH12 ARG A 155 -1.514 24.311 24.029 1.00 0.00 H ATOM 515 HH11 ARG A 155 -1.134 24.041 22.289 1.00 0.00 H ATOM 516 HH22 ARG A 155 -0.111 23.547 25.641 1.00 0.00 H ATOM 517 HH21 ARG A 155 1.393 22.664 25.190 1.00 0.00 H ATOM 518 H ARG A 155 7.053 21.105 22.202 1.00 0.00 H ATOM 519 N LEU A 156 5.007 23.183 19.058 1.00 16.40 N ATOM 520 CA LEU A 156 4.918 24.491 18.434 1.00 18.29 C ATOM 521 C LEU A 156 3.488 24.989 18.535 1.00 16.23 C ATOM 522 O LEU A 156 2.537 24.204 18.431 1.00 18.37 O ATOM 523 CB LEU A 156 5.332 24.441 16.959 1.00 21.59 C ATOM 524 CG LEU A 156 6.776 24.022 16.676 1.00 21.03 C ATOM 525 CD1 LEU A 156 6.998 23.905 15.181 1.00 19.00 C ATOM 526 CD2 LEU A 156 7.736 25.023 17.281 1.00 24.68 C ATOM 527 H LEU A 156 4.569 22.375 18.571 1.00 0.00 H ATOM 528 N HIS A 157 3.343 26.299 18.705 1.00 17.64 N ATOM 529 CA HIS A 157 2.020 26.918 18.802 1.00 19.94 C ATOM 530 C HIS A 157 1.568 27.561 17.501 1.00 22.21 C ATOM 531 O HIS A 157 0.442 28.075 17.424 1.00 25.79 O ATOM 532 CB HIS A 157 2.003 27.953 19.930 1.00 22.86 C ATOM 533 CG HIS A 157 2.181 27.353 21.284 1.00 24.68 C ATOM 534 ND1 HIS A 157 1.128 26.849 22.010 1.00 26.04 N ATOM 535 CD2 HIS A 157 3.291 27.135 22.026 1.00 29.26 C ATOM 536 CE1 HIS A 157 1.578 26.369 23.155 1.00 29.10 C ATOM 537 NE2 HIS A 157 2.887 26.529 23.189 1.00 30.42 N ATOM 538 H HIS A 157 4.190 26.899 18.771 1.00 0.00 H ATOM 539 N ASP A 158 2.392 27.523 16.470 1.00 23.48 N ATOM 540 CA ASP A 158 2.037 28.150 15.207 1.00 25.55 C ATOM 541 C ASP A 158 2.899 27.542 14.117 1.00 23.88 C ATOM 542 O ASP A 158 3.949 26.959 14.391 1.00 23.66 O ATOM 543 CB ASP A 158 2.257 29.661 15.267 1.00 31.69 C ATOM 544 CG ASP A 158 3.684 30.021 15.689 1.00 38.72 C ATOM 545 OD1 ASP A 158 4.595 30.011 14.818 1.00 39.14 O ATOM 546 OD2 ASP A 158 3.896 30.299 16.890 1.00 42.01 O ATOM 547 H ASP A 158 3.307 27.038 16.563 1.00 0.00 H ATOM 548 N GLY A 159 2.461 27.720 12.876 1.00 21.91 N ATOM 549 CA GLY A 159 3.246 27.313 11.740 1.00 21.60 C ATOM 550 C GLY A 159 3.325 25.810 11.568 1.00 20.17 C ATOM 551 O GLY A 159 2.638 25.022 12.230 1.00 20.33 O ATOM 552 H GLY A 159 1.532 28.162 12.722 1.00 0.00 H ATOM 553 N ILE A 160 4.171 25.408 10.633 1.00 24.92 N ATOM 554 CA ILE A 160 4.241 24.000 10.265 1.00 28.58 C ATOM 555 C ILE A 160 5.099 23.252 11.279 1.00 23.71 C ATOM 556 O ILE A 160 6.206 23.694 11.644 1.00 23.42 O ATOM 557 CB ILE A 160 4.772 23.829 8.831 1.00 38.29 C ATOM 558 CG1 ILE A 160 4.536 22.398 8.321 1.00 43.31 C ATOM 559 CG2 ILE A 160 6.235 24.130 8.761 1.00 42.26 C ATOM 560 CD1 ILE A 160 3.026 21.969 8.207 1.00 45.76 C ATOM 561 H ILE A 160 4.787 26.099 10.160 1.00 0.00 H ATOM 562 N ALA A 161 4.572 22.128 11.758 1.00 18.63 N ATOM 563 CA ALA A 161 5.289 21.153 12.561 1.00 15.36 C ATOM 564 C ALA A 161 5.320 19.827 11.818 1.00 15.30 C ATOM 565 O ALA A 161 4.534 19.594 10.899 1.00 16.38 O ATOM 566 CB ALA A 161 4.623 20.963 13.925 1.00 16.60 C ATOM 567 H ALA A 161 3.574 21.933 11.542 1.00 0.00 H ATOM 568 N ASP A 162 6.240 18.946 12.219 1.00 15.75 N ATOM 569 CA ASP A 162 6.301 17.629 11.592 1.00 15.12 C ATOM 570 C ASP A 162 4.997 16.872 11.783 1.00 15.54 C ATOM 571 O ASP A 162 4.461 16.292 10.832 1.00 16.04 O ATOM 572 CB ASP A 162 7.463 16.810 12.158 1.00 16.91 C ATOM 573 CG ASP A 162 8.811 17.468 11.917 1.00 18.32 C ATOM 574 OD1 ASP A 162 9.128 17.755 10.745 1.00 21.10 O ATOM 575 OD2 ASP A 162 9.539 17.696 12.901 1.00 18.48 O ATOM 576 H ASP A 162 6.910 19.197 12.974 1.00 0.00 H ATOM 577 N ILE A 163 4.490 16.842 13.015 1.00 15.35 N ATOM 578 CA ILE A 163 3.302 16.068 13.376 1.00 14.18 C ATOM 579 C ILE A 163 2.205 17.076 13.689 1.00 14.55 C ATOM 580 O ILE A 163 2.165 17.646 14.787 1.00 14.97 O ATOM 581 CB ILE A 163 3.575 15.121 14.552 1.00 13.57 C ATOM 582 CG1 ILE A 163 4.590 14.067 14.109 1.00 15.70 C ATOM 583 CG2 ILE A 163 2.284 14.450 15.023 1.00 14.87 C ATOM 584 CD1 ILE A 163 5.167 13.182 15.221 1.00 18.37 C ATOM 585 H ILE A 163 4.962 17.397 13.757 1.00 0.00 H ATOM 586 N MET A 164 1.321 17.309 12.714 1.00 13.28 N ATOM 587 CA MET A 164 0.172 18.195 12.878 1.00 13.21 C ATOM 588 C MET A 164 -0.997 17.381 13.423 1.00 14.71 C ATOM 589 O MET A 164 -1.356 16.347 12.843 1.00 15.36 O ATOM 590 CB MET A 164 -0.192 18.852 11.535 1.00 15.02 C ATOM 591 CG MET A 164 0.975 19.625 10.891 1.00 15.43 C ATOM 592 SD MET A 164 1.297 21.178 11.757 1.00 17.09 S ATOM 593 CE MET A 164 0.004 22.238 11.082 1.00 18.25 C ATOM 594 H MET A 164 1.458 16.838 11.797 1.00 0.00 H ATOM 595 N ILE A 165 -1.576 17.847 14.536 1.00 13.76 N ATOM 596 CA ILE A 165 -2.642 17.138 15.250 1.00 12.08 C ATOM 597 C ILE A 165 -3.929 17.934 15.130 1.00 12.59 C ATOM 598 O ILE A 165 -3.958 19.121 15.460 1.00 13.39 O ATOM 599 CB ILE A 165 -2.285 16.934 16.730 1.00 13.03 C ATOM 600 CG1 ILE A 165 -0.960 16.182 16.856 1.00 14.39 C ATOM 601 CG2 ILE A 165 -3.419 16.193 17.449 1.00 14.14 C ATOM 602 CD1 ILE A 165 -0.306 16.296 18.232 1.00 15.21 C ATOM 603 H ILE A 165 -1.253 18.760 14.914 1.00 0.00 H ATOM 604 N SER A 166 -5.004 17.282 14.693 1.00 10.81 N ATOM 605 CA SER A 166 -6.266 18.005 14.594 1.00 11.39 C ATOM 606 C SER A 166 -7.467 17.089 14.838 1.00 13.50 C ATOM 607 O SER A 166 -7.409 15.859 14.690 1.00 11.41 O ATOM 608 CB SER A 166 -6.376 18.714 13.242 1.00 17.62 C ATOM 609 OG SER A 166 -6.391 17.812 12.178 1.00 19.64 O ATOM 610 HG SER A 166 -6.463 18.310 11.326 1.00 0.00 H ATOM 611 H SER A 166 -4.945 16.278 14.428 1.00 0.00 H ATOM 612 N PHE A 167 -8.550 17.733 15.257 1.00 13.31 N ATOM 613 CA PHE A 167 -9.867 17.128 15.423 1.00 12.20 C ATOM 614 C PHE A 167 -10.766 17.563 14.267 1.00 16.25 C ATOM 615 O PHE A 167 -10.804 18.745 13.923 1.00 16.78 O ATOM 616 CB PHE A 167 -10.494 17.572 16.744 1.00 11.27 C ATOM 617 CG PHE A 167 -9.765 17.109 17.968 1.00 11.84 C ATOM 618 CD1 PHE A 167 -10.056 15.882 18.550 1.00 12.01 C ATOM 619 CD2 PHE A 167 -8.823 17.915 18.567 1.00 11.29 C ATOM 620 CE1 PHE A 167 -9.387 15.454 19.667 1.00 12.53 C ATOM 621 CE2 PHE A 167 -8.136 17.489 19.703 1.00 14.53 C ATOM 622 CZ PHE A 167 -8.421 16.260 20.253 1.00 12.49 C ATOM 623 H PHE A 167 -8.452 18.743 15.484 1.00 0.00 H ATOM 624 N GLY A 168 -11.498 16.613 13.687 1.00 15.03 N ATOM 625 CA GLY A 168 -12.351 16.906 12.549 1.00 14.00 C ATOM 626 C GLY A 168 -13.439 15.862 12.409 1.00 13.32 C ATOM 627 O GLY A 168 -13.468 14.867 13.130 1.00 15.04 O ATOM 628 H GLY A 168 -11.458 15.642 14.057 1.00 0.00 H ATOM 629 N ILE A 169 -14.340 16.099 11.444 1.00 14.00 N ATOM 630 CA ILE A 169 -15.433 15.179 11.149 1.00 13.09 C ATOM 631 C ILE A 169 -15.572 14.999 9.639 1.00 13.90 C ATOM 632 O ILE A 169 -15.137 15.833 8.840 1.00 14.67 O ATOM 633 CB ILE A 169 -16.768 15.674 11.757 1.00 12.38 C ATOM 634 CG1 ILE A 169 -17.151 17.051 11.193 1.00 13.90 C ATOM 635 CG2 ILE A 169 -16.657 15.759 13.269 1.00 13.49 C ATOM 636 CD1 ILE A 169 -18.480 17.535 11.612 1.00 15.89 C ATOM 637 H ILE A 169 -14.256 16.972 10.885 1.00 0.00 H ATOM 638 N LYS A 170 -16.191 13.884 9.252 1.00 14.56 N ATOM 639 CA LYS A 170 -16.546 13.600 7.850 1.00 16.04 C ATOM 640 C LYS A 170 -15.353 13.952 6.960 1.00 15.59 C ATOM 641 O LYS A 170 -14.232 13.529 7.278 1.00 14.50 O ATOM 642 CB LYS A 170 -17.844 14.328 7.529 1.00 16.76 C ATOM 643 CG LYS A 170 -18.965 14.026 8.504 1.00 20.19 C ATOM 644 CD LYS A 170 -19.381 12.595 8.410 1.00 21.60 C ATOM 645 CE LYS A 170 -20.599 12.320 9.289 1.00 23.11 C ATOM 646 NZ LYS A 170 -21.827 13.043 8.827 1.00 27.49 N ATOM 647 HZ1 LYS A 170 -21.650 14.068 8.841 1.00 0.00 H ATOM 648 HZ2 LYS A 170 -22.060 12.744 7.859 1.00 0.00 H ATOM 649 HZ3 LYS A 170 -22.620 12.818 9.461 1.00 0.00 H ATOM 650 H LYS A 170 -16.436 13.179 9.976 1.00 0.00 H ATOM 651 N GLU A 171 -15.543 14.704 5.871 1.00 17.14 N ATOM 652 CA GLU A 171 -14.444 15.147 5.015 1.00 18.67 C ATOM 653 C GLU A 171 -13.697 16.301 5.693 1.00 16.88 C ATOM 654 O GLU A 171 -14.281 17.353 5.999 1.00 18.12 O ATOM 655 CB GLU A 171 -14.990 15.563 3.648 1.00 24.18 C ATOM 656 CG GLU A 171 -15.565 14.420 2.832 1.00 29.67 C ATOM 657 CD GLU A 171 -14.499 13.629 2.074 1.00 37.20 C ATOM 658 OE1 GLU A 171 -14.872 12.789 1.216 1.00 39.57 O ATOM 659 OE2 GLU A 171 -13.289 13.836 2.337 1.00 41.30 O ATOM 660 H GLU A 171 -16.513 14.985 5.623 1.00 0.00 H ATOM 661 N HIS A 172 -12.404 16.111 5.947 1.00 18.22 N ATOM 662 CA HIS A 172 -11.641 17.062 6.754 1.00 17.38 C ATOM 663 C HIS A 172 -10.314 17.429 6.090 1.00 15.26 C ATOM 664 O HIS A 172 -9.437 18.042 6.729 1.00 18.03 O ATOM 665 CB HIS A 172 -11.420 16.510 8.168 1.00 17.03 C ATOM 666 CG HIS A 172 -10.776 15.156 8.197 1.00 15.00 C ATOM 667 ND1 HIS A 172 -11.501 13.992 8.103 1.00 16.02 N ATOM 668 CD2 HIS A 172 -9.480 14.780 8.320 1.00 14.04 C ATOM 669 CE1 HIS A 172 -10.685 12.955 8.142 1.00 13.71 C ATOM 670 NE2 HIS A 172 -9.450 13.407 8.277 1.00 13.89 N ATOM 671 H HIS A 172 -11.927 15.270 5.564 1.00 0.00 H ATOM 672 N GLY A 173 -10.171 17.127 4.801 1.00 17.99 N ATOM 673 CA GLY A 173 -9.048 17.631 4.027 1.00 19.06 C ATOM 674 C GLY A 173 -8.104 16.595 3.464 1.00 19.31 C ATOM 675 O GLY A 173 -7.100 16.978 2.851 1.00 22.88 O ATOM 676 H GLY A 173 -10.877 16.519 4.339 1.00 0.00 H ATOM 677 N ASP A 174 -8.351 15.306 3.632 1.00 18.64 N ATOM 678 CA ASP A 174 -7.493 14.300 3.032 1.00 19.73 C ATOM 679 C ASP A 174 -8.388 13.289 2.316 1.00 21.11 C ATOM 680 O ASP A 174 -9.593 13.511 2.166 1.00 24.60 O ATOM 681 CB ASP A 174 -6.580 13.665 4.096 1.00 17.89 C ATOM 682 CG ASP A 174 -7.340 13.021 5.251 1.00 18.90 C ATOM 683 OD1 ASP A 174 -8.512 12.649 5.082 1.00 16.48 O ATOM 684 OD2 ASP A 174 -6.747 12.851 6.338 1.00 19.73 O ATOM 685 H ASP A 174 -9.170 15.010 4.201 1.00 0.00 H ATOM 686 N PHE A 175 -7.833 12.193 1.839 1.00 21.73 N ATOM 687 CA PHE A 175 -8.651 11.226 1.128 1.00 24.90 C ATOM 688 C PHE A 175 -9.225 10.167 2.047 1.00 22.96 C ATOM 689 O PHE A 175 -9.566 9.083 1.569 1.00 26.39 O ATOM 690 CB PHE A 175 -7.834 10.550 0.018 1.00 30.37 C ATOM 691 CG PHE A 175 -7.573 11.426 -1.169 1.00 34.04 C ATOM 692 CD1 PHE A 175 -8.569 11.666 -2.101 1.00 35.42 C ATOM 693 CD2 PHE A 175 -6.319 11.988 -1.373 1.00 35.13 C ATOM 694 CE1 PHE A 175 -8.328 12.463 -3.194 1.00 38.08 C ATOM 695 CE2 PHE A 175 -6.071 12.784 -2.467 1.00 35.94 C ATOM 696 CZ PHE A 175 -7.072 13.022 -3.384 1.00 36.80 C ATOM 697 H PHE A 175 -6.816 12.022 1.971 1.00 0.00 H ATOM 698 N TYR A 176 -9.326 10.446 3.350 1.00 19.42 N ATOM 699 CA TYR A 176 -9.690 9.442 4.352 1.00 19.96 C ATOM 700 C TYR A 176 -10.748 10.015 5.272 1.00 15.98 C ATOM 701 O TYR A 176 -10.497 10.305 6.446 1.00 15.97 O ATOM 702 CB TYR A 176 -8.470 8.980 5.147 1.00 22.68 C ATOM 703 CG TYR A 176 -7.487 8.299 4.266 1.00 28.95 C ATOM 704 CD1 TYR A 176 -7.589 6.941 4.016 1.00 31.47 C ATOM 705 CD2 TYR A 176 -6.491 9.020 3.637 1.00 29.79 C ATOM 706 CE1 TYR A 176 -6.712 6.315 3.185 1.00 34.75 C ATOM 707 CE2 TYR A 176 -5.613 8.408 2.804 1.00 33.96 C ATOM 708 CZ TYR A 176 -5.733 7.054 2.580 1.00 36.98 C ATOM 709 OH TYR A 176 -4.839 6.429 1.743 1.00 41.86 O ATOM 710 HH TYR A 176 -5.059 5.465 1.688 1.00 0.00 H ATOM 711 H TYR A 176 -9.138 11.419 3.666 1.00 0.00 H ATOM 712 N PRO A 177 -11.940 10.211 4.759 1.00 17.54 N ATOM 713 CA PRO A 177 -12.994 10.836 5.563 1.00 17.35 C ATOM 714 C PRO A 177 -13.404 9.986 6.754 1.00 17.44 C ATOM 715 O PRO A 177 -13.380 8.749 6.714 1.00 18.52 O ATOM 716 CB PRO A 177 -14.152 10.968 4.570 1.00 19.22 C ATOM 717 CG PRO A 177 -13.874 9.924 3.535 1.00 19.02 C ATOM 718 CD PRO A 177 -12.395 9.882 3.398 1.00 20.36 C ATOM 719 N PHE A 178 -13.806 10.677 7.818 1.00 15.54 N ATOM 720 CA PHE A 178 -14.434 10.037 8.959 1.00 15.04 C ATOM 721 C PHE A 178 -15.917 9.798 8.670 1.00 17.08 C ATOM 722 O PHE A 178 -16.458 10.227 7.645 1.00 20.38 O ATOM 723 CB PHE A 178 -14.244 10.886 10.207 1.00 14.44 C ATOM 724 CG PHE A 178 -12.833 10.884 10.737 1.00 15.67 C ATOM 725 CD1 PHE A 178 -12.097 9.706 10.832 1.00 13.76 C ATOM 726 CD2 PHE A 178 -12.252 12.061 11.137 1.00 13.83 C ATOM 727 CE1 PHE A 178 -10.805 9.727 11.351 1.00 13.50 C ATOM 728 CE2 PHE A 178 -10.951 12.086 11.639 1.00 15.12 C ATOM 729 CZ PHE A 178 -10.242 10.913 11.740 1.00 15.37 C ATOM 730 H PHE A 178 -13.666 11.707 7.832 1.00 0.00 H ATOM 731 N ASP A 179 -16.576 9.103 9.597 1.00 17.84 N ATOM 732 CA ASP A 179 -17.806 8.385 9.285 1.00 18.88 C ATOM 733 C ASP A 179 -18.913 8.621 10.308 1.00 20.89 C ATOM 734 O ASP A 179 -19.835 7.801 10.408 1.00 22.26 O ATOM 735 CB ASP A 179 -17.517 6.885 9.170 1.00 20.64 C ATOM 736 CG ASP A 179 -16.857 6.327 10.407 1.00 20.73 C ATOM 737 OD1 ASP A 179 -16.556 7.108 11.344 1.00 20.94 O ATOM 738 OD2 ASP A 179 -16.620 5.109 10.432 1.00 21.87 O ATOM 739 H ASP A 179 -16.203 9.072 10.567 1.00 0.00 H ATOM 740 N GLY A 180 -18.872 9.726 11.042 1.00 19.28 N ATOM 741 CA GLY A 180 -19.845 9.963 12.082 1.00 20.33 C ATOM 742 C GLY A 180 -19.591 9.097 13.303 1.00 20.98 C ATOM 743 O GLY A 180 -18.530 8.460 13.441 1.00 20.42 O ATOM 744 H GLY A 180 -18.128 10.431 10.865 1.00 0.00 H ATOM 745 N PRO A 181 -20.553 9.077 14.225 1.00 24.20 N ATOM 746 CA PRO A 181 -20.391 8.293 15.453 1.00 24.74 C ATOM 747 C PRO A 181 -20.148 6.826 15.152 1.00 25.16 C ATOM 748 O PRO A 181 -20.782 6.241 14.274 1.00 27.41 O ATOM 749 CB PRO A 181 -21.725 8.496 16.189 1.00 24.38 C ATOM 750 CG PRO A 181 -22.316 9.720 15.621 1.00 28.12 C ATOM 751 CD PRO A 181 -21.844 9.782 14.184 1.00 26.84 C ATOM 752 N SER A 182 -19.240 6.232 15.924 1.00 24.83 N ATOM 753 CA SER A 182 -18.867 4.823 15.813 1.00 26.52 C ATOM 754 C SER A 182 -17.944 4.586 14.619 1.00 24.29 C ATOM 755 O SER A 182 -17.499 5.534 13.957 1.00 23.72 O ATOM 756 CB SER A 182 -20.109 3.935 15.718 1.00 32.92 C ATOM 757 OG SER A 182 -19.732 2.578 15.591 1.00 39.13 O ATOM 758 HG SER A 182 -20.544 2.015 15.531 1.00 0.00 H ATOM 759 H SER A 182 -18.767 6.806 16.651 1.00 0.00 H ATOM 760 N GLY A 183 -17.630 3.328 14.343 1.00 25.31 N ATOM 761 CA GLY A 183 -16.718 3.044 13.250 1.00 21.41 C ATOM 762 C GLY A 183 -15.354 3.622 13.540 1.00 21.62 C ATOM 763 O GLY A 183 -14.798 3.453 14.630 1.00 22.92 O ATOM 764 H GLY A 183 -18.034 2.551 14.905 1.00 0.00 H ATOM 765 N LEU A 184 -14.813 4.322 12.556 1.00 17.59 N ATOM 766 CA LEU A 184 -13.494 4.918 12.702 1.00 17.07 C ATOM 767 C LEU A 184 -13.471 5.935 13.843 1.00 16.47 C ATOM 768 O LEU A 184 -14.439 6.672 14.074 1.00 18.67 O ATOM 769 CB LEU A 184 -13.097 5.616 11.410 1.00 18.37 C ATOM 770 CG LEU A 184 -13.040 4.751 10.167 1.00 19.93 C ATOM 771 CD1 LEU A 184 -12.866 5.655 8.951 1.00 20.69 C ATOM 772 CD2 LEU A 184 -11.900 3.759 10.287 1.00 23.15 C ATOM 773 H LEU A 184 -15.338 4.448 11.667 1.00 0.00 H ATOM 774 N LEU A 185 -12.333 5.996 14.543 1.00 15.30 N ATOM 775 CA LEU A 185 -12.100 7.027 15.549 1.00 15.51 C ATOM 776 C LEU A 185 -10.885 7.928 15.300 1.00 15.01 C ATOM 777 O LEU A 185 -10.894 9.055 15.779 1.00 14.03 O ATOM 778 CB LEU A 185 -11.968 6.384 16.942 1.00 17.64 C ATOM 779 CG LEU A 185 -11.051 5.161 17.084 1.00 19.56 C ATOM 780 CD1 LEU A 185 -10.384 5.119 18.438 1.00 22.97 C ATOM 781 CD2 LEU A 185 -11.826 3.858 16.899 1.00 18.97 C ATOM 782 H LEU A 185 -11.592 5.288 14.365 1.00 0.00 H ATOM 783 N ALA A 186 -9.853 7.478 14.584 1.00 13.88 N ATOM 784 CA ALA A 186 -8.635 8.275 14.404 1.00 13.34 C ATOM 785 C ALA A 186 -7.742 7.588 13.383 1.00 14.04 C ATOM 786 O ALA A 186 -7.851 6.383 13.167 1.00 14.38 O ATOM 787 CB ALA A 186 -7.868 8.444 15.720 1.00 13.91 C ATOM 788 H ALA A 186 -9.914 6.538 14.142 1.00 0.00 H ATOM 789 N HIS A 187 -6.845 8.364 12.763 1.00 13.33 N ATOM 790 CA HIS A 187 -5.818 7.773 11.914 1.00 14.83 C ATOM 791 C HIS A 187 -4.616 8.704 11.879 1.00 14.65 C ATOM 792 O HIS A 187 -4.716 9.886 12.197 1.00 14.02 O ATOM 793 CB HIS A 187 -6.327 7.464 10.492 1.00 15.84 C ATOM 794 CG HIS A 187 -6.950 8.624 9.781 1.00 17.23 C ATOM 795 ND1 HIS A 187 -8.197 8.545 9.215 1.00 19.62 N ATOM 796 CD2 HIS A 187 -6.512 9.882 9.552 1.00 17.17 C ATOM 797 CE1 HIS A 187 -8.497 9.707 8.653 1.00 19.36 C ATOM 798 NE2 HIS A 187 -7.487 10.535 8.844 1.00 14.68 N ATOM 799 H HIS A 187 -6.881 9.396 12.888 1.00 0.00 H ATOM 800 N ALA A 188 -3.460 8.140 11.533 1.00 14.64 N ATOM 801 CA ALA A 188 -2.210 8.886 11.476 1.00 14.33 C ATOM 802 C ALA A 188 -1.376 8.383 10.314 1.00 16.62 C ATOM 803 O ALA A 188 -1.306 7.175 10.068 1.00 19.64 O ATOM 804 CB ALA A 188 -1.416 8.764 12.771 1.00 15.82 C ATOM 805 H ALA A 188 -3.449 7.128 11.294 1.00 0.00 H ATOM 806 N PHE A 189 -0.726 9.326 9.611 1.00 16.49 N ATOM 807 CA PHE A 189 0.048 8.994 8.419 1.00 18.15 C ATOM 808 C PHE A 189 1.468 8.561 8.770 1.00 15.67 C ATOM 809 O PHE A 189 2.067 9.088 9.712 1.00 14.96 O ATOM 810 CB PHE A 189 0.127 10.196 7.492 1.00 17.86 C ATOM 811 CG PHE A 189 -1.195 10.606 6.909 1.00 19.59 C ATOM 812 CD1 PHE A 189 -2.086 11.385 7.638 1.00 19.70 C ATOM 813 CD2 PHE A 189 -1.536 10.217 5.627 1.00 20.83 C ATOM 814 CE1 PHE A 189 -3.310 11.773 7.090 1.00 21.36 C ATOM 815 CE2 PHE A 189 -2.747 10.585 5.072 1.00 22.17 C ATOM 816 CZ PHE A 189 -3.638 11.371 5.805 1.00 23.17 C ATOM 817 H PHE A 189 -0.776 10.317 9.924 1.00 0.00 H ATOM 818 N PRO A 190 2.035 7.656 7.985 1.00 17.37 N ATOM 819 CA PRO A 190 3.427 7.232 8.212 1.00 17.84 C ATOM 820 C PRO A 190 4.396 8.391 8.080 1.00 17.49 C ATOM 821 O PRO A 190 4.063 9.426 7.485 1.00 18.02 O ATOM 822 CB PRO A 190 3.670 6.195 7.106 1.00 22.02 C ATOM 823 CG PRO A 190 2.345 5.786 6.627 1.00 24.00 C ATOM 824 CD PRO A 190 1.437 6.963 6.828 1.00 20.17 C ATOM 825 N PRO A 191 5.615 8.239 8.601 1.00 17.98 N ATOM 826 CA PRO A 191 6.645 9.278 8.431 1.00 16.95 C ATOM 827 C PRO A 191 6.818 9.740 6.988 1.00 21.68 C ATOM 828 O PRO A 191 6.830 8.941 6.039 1.00 23.18 O ATOM 829 CB PRO A 191 7.919 8.591 8.949 1.00 18.68 C ATOM 830 CG PRO A 191 7.446 7.611 9.923 1.00 17.55 C ATOM 831 CD PRO A 191 6.119 7.111 9.410 1.00 16.20 C ATOM 832 N GLY A 192 7.009 11.047 6.837 1.00 19.58 N ATOM 833 CA GLY A 192 7.241 11.645 5.546 1.00 19.82 C ATOM 834 C GLY A 192 6.828 13.108 5.539 1.00 20.88 C ATOM 835 O GLY A 192 6.376 13.637 6.552 1.00 18.85 O ATOM 836 H GLY A 192 6.990 11.658 7.678 1.00 0.00 H ATOM 837 N PRO A 193 6.971 13.783 4.399 1.00 21.65 N ATOM 838 CA PRO A 193 6.613 15.205 4.317 1.00 20.34 C ATOM 839 C PRO A 193 5.104 15.403 4.258 1.00 19.62 C ATOM 840 O PRO A 193 4.340 14.468 4.040 1.00 21.06 O ATOM 841 CB PRO A 193 7.283 15.651 3.012 1.00 23.78 C ATOM 842 CG PRO A 193 7.258 14.422 2.160 1.00 25.72 C ATOM 843 CD PRO A 193 7.498 13.270 3.118 1.00 23.56 C ATOM 844 N ASN A 194 4.692 16.659 4.463 1.00 21.29 N ATOM 845 CA ASN A 194 3.295 17.097 4.298 1.00 19.20 C ATOM 846 C ASN A 194 2.424 16.345 5.290 1.00 18.60 C ATOM 847 O ASN A 194 2.655 16.461 6.507 1.00 16.60 O ATOM 848 CB ASN A 194 2.889 16.929 2.830 1.00 22.70 C ATOM 849 CG ASN A 194 3.832 17.649 1.901 1.00 28.99 C ATOM 850 OD1 ASN A 194 4.184 18.799 2.156 1.00 28.62 O ATOM 851 ND2 ASN A 194 4.292 16.967 0.848 1.00 30.92 N ATOM 852 HD22 ASN A 194 3.964 15.996 0.674 1.00 0.00 H ATOM 853 HD21 ASN A 194 4.978 17.408 0.202 1.00 0.00 H ATOM 854 H ASN A 194 5.397 17.366 4.755 1.00 0.00 H ATOM 855 N TYR A 195 1.409 15.603 4.844 1.00 18.00 N ATOM 856 CA TYR A 195 0.557 14.892 5.788 1.00 17.80 C ATOM 857 C TYR A 195 1.304 13.797 6.543 1.00 15.61 C ATOM 858 O TYR A 195 0.810 13.312 7.563 1.00 16.48 O ATOM 859 CB TYR A 195 -0.648 14.318 5.042 1.00 19.05 C ATOM 860 CG TYR A 195 -1.757 15.323 4.771 1.00 23.13 C ATOM 861 CD1 TYR A 195 -1.945 16.432 5.584 1.00 27.63 C ATOM 862 CD2 TYR A 195 -2.640 15.141 3.730 1.00 23.68 C ATOM 863 CE1 TYR A 195 -2.971 17.332 5.355 1.00 30.17 C ATOM 864 CE2 TYR A 195 -3.669 16.052 3.487 1.00 23.53 C ATOM 865 CZ TYR A 195 -3.827 17.134 4.312 1.00 27.21 C ATOM 866 OH TYR A 195 -4.838 18.051 4.104 1.00 28.63 O ATOM 867 HH TYR A 195 -5.714 17.593 4.158 1.00 0.00 H ATOM 868 H TYR A 195 1.226 15.532 3.823 1.00 0.00 H ATOM 869 N GLY A 196 2.484 13.409 6.083 1.00 15.40 N ATOM 870 CA GLY A 196 3.273 12.411 6.783 1.00 17.73 C ATOM 871 C GLY A 196 3.368 12.752 8.255 1.00 16.98 C ATOM 872 O GLY A 196 3.600 13.910 8.611 1.00 17.31 O ATOM 873 H GLY A 196 2.852 13.827 5.205 1.00 0.00 H ATOM 874 N GLY A 197 3.151 11.759 9.117 1.00 16.14 N ATOM 875 CA GLY A 197 3.178 11.944 10.557 1.00 14.62 C ATOM 876 C GLY A 197 1.933 12.545 11.186 1.00 14.26 C ATOM 877 O GLY A 197 1.742 12.402 12.405 1.00 16.77 O ATOM 878 H GLY A 197 2.954 10.809 8.742 1.00 0.00 H ATOM 879 N ASP A 198 1.084 13.216 10.415 1.00 15.22 N ATOM 880 CA ASP A 198 -0.037 13.947 10.993 1.00 14.99 C ATOM 881 C ASP A 198 -1.056 12.973 11.583 1.00 14.18 C ATOM 882 O ASP A 198 -1.197 11.837 11.117 1.00 16.37 O ATOM 883 CB ASP A 198 -0.702 14.823 9.925 1.00 12.19 C ATOM 884 CG ASP A 198 0.195 15.960 9.419 1.00 15.84 C ATOM 885 OD1 ASP A 198 1.389 16.085 9.819 1.00 14.08 O ATOM 886 OD2 ASP A 198 -0.319 16.719 8.577 1.00 15.98 O ATOM 887 H ASP A 198 1.221 13.220 9.384 1.00 0.00 H ATOM 888 N ALA A 199 -1.758 13.420 12.634 1.00 11.78 N ATOM 889 CA ALA A 199 -2.735 12.587 13.340 1.00 10.13 C ATOM 890 C ALA A 199 -4.070 13.308 13.418 1.00 11.74 C ATOM 891 O ALA A 199 -4.126 14.468 13.849 1.00 11.57 O ATOM 892 CB ALA A 199 -2.250 12.235 14.759 1.00 11.14 C ATOM 893 H ALA A 199 -1.603 14.395 12.961 1.00 0.00 H ATOM 894 N HIS A 200 -5.145 12.599 13.057 1.00 11.53 N ATOM 895 CA HIS A 200 -6.488 13.156 12.975 1.00 11.48 C ATOM 896 C HIS A 200 -7.419 12.337 13.859 1.00 12.54 C ATOM 897 O HIS A 200 -7.360 11.102 13.853 1.00 13.03 O ATOM 898 CB HIS A 200 -7.028 13.124 11.558 1.00 12.88 C ATOM 899 CG HIS A 200 -6.242 13.924 10.580 1.00 12.65 C ATOM 900 ND1 HIS A 200 -6.388 13.776 9.219 1.00 13.08 N ATOM 901 CD2 HIS A 200 -5.306 14.884 10.759 1.00 13.36 C ATOM 902 CE1 HIS A 200 -5.576 14.612 8.598 1.00 12.89 C ATOM 903 NE2 HIS A 200 -4.899 15.287 9.511 1.00 14.67 N ATOM 904 H HIS A 200 -5.015 11.594 12.822 1.00 0.00 H ATOM 905 N PHE A 201 -8.288 13.028 14.596 1.00 11.12 N ATOM 906 CA PHE A 201 -9.213 12.416 15.542 1.00 12.52 C ATOM 907 C PHE A 201 -10.630 12.820 15.165 1.00 12.09 C ATOM 908 O PHE A 201 -10.900 14.002 14.940 1.00 13.37 O ATOM 909 CB PHE A 201 -8.882 12.844 16.977 1.00 12.56 C ATOM 910 CG PHE A 201 -7.512 12.429 17.418 1.00 11.88 C ATOM 911 CD1 PHE A 201 -6.394 13.159 17.036 1.00 12.64 C ATOM 912 CD2 PHE A 201 -7.335 11.300 18.180 1.00 14.66 C ATOM 913 CE1 PHE A 201 -5.121 12.754 17.406 1.00 14.05 C ATOM 914 CE2 PHE A 201 -6.072 10.889 18.579 1.00 14.50 C ATOM 915 CZ PHE A 201 -4.956 11.617 18.180 1.00 14.38 C ATOM 916 H PHE A 201 -8.307 14.062 14.490 1.00 0.00 H ATOM 917 N ASP A 202 -11.524 11.838 15.122 1.00 12.18 N ATOM 918 CA ASP A 202 -12.910 12.018 14.701 1.00 12.21 C ATOM 919 C ASP A 202 -13.708 12.602 15.855 1.00 13.69 C ATOM 920 O ASP A 202 -13.954 11.910 16.851 1.00 13.84 O ATOM 921 CB ASP A 202 -13.480 10.673 14.270 1.00 12.75 C ATOM 922 CG ASP A 202 -14.896 10.755 13.727 1.00 14.91 C ATOM 923 OD1 ASP A 202 -15.497 11.848 13.714 1.00 12.94 O ATOM 924 OD2 ASP A 202 -15.398 9.686 13.314 1.00 15.69 O ATOM 925 H ASP A 202 -11.218 10.885 15.405 1.00 0.00 H ATOM 926 N ASP A 203 -14.134 13.865 15.723 1.00 11.93 N ATOM 927 CA ASP A 203 -14.852 14.467 16.837 1.00 13.35 C ATOM 928 C ASP A 203 -16.309 14.061 16.867 1.00 16.11 C ATOM 929 O ASP A 203 -17.043 14.532 17.730 1.00 19.22 O ATOM 930 CB ASP A 203 -14.731 15.996 16.842 1.00 16.58 C ATOM 931 CG ASP A 203 -14.363 16.542 18.236 1.00 18.24 C ATOM 932 OD1 ASP A 203 -14.915 16.059 19.251 1.00 21.08 O ATOM 933 OD2 ASP A 203 -13.499 17.427 18.322 1.00 16.20 O ATOM 934 H ASP A 203 -13.957 14.400 14.849 1.00 0.00 H ATOM 935 N ASP A 204 -16.748 13.184 15.987 1.00 16.12 N ATOM 936 CA ASP A 204 -18.044 12.573 16.227 1.00 14.33 C ATOM 937 C ASP A 204 -17.948 11.417 17.209 1.00 13.81 C ATOM 938 O ASP A 204 -18.979 10.826 17.532 1.00 17.07 O ATOM 939 CB ASP A 204 -18.692 12.123 14.908 1.00 14.51 C ATOM 940 CG ASP A 204 -19.308 13.287 14.129 1.00 15.82 C ATOM 941 OD1 ASP A 204 -19.793 14.248 14.774 1.00 18.19 O ATOM 942 OD2 ASP A 204 -19.306 13.250 12.879 1.00 17.68 O ATOM 943 H ASP A 204 -16.185 12.937 15.148 1.00 0.00 H ATOM 944 N GLU A 205 -16.752 11.093 17.706 1.00 14.44 N ATOM 945 CA GLU A 205 -16.563 10.232 18.864 1.00 18.38 C ATOM 946 C GLU A 205 -16.410 11.088 20.122 1.00 15.92 C ATOM 947 O GLU A 205 -16.101 12.280 20.052 1.00 17.14 O ATOM 948 CB GLU A 205 -15.320 9.359 18.698 1.00 18.49 C ATOM 949 CG GLU A 205 -15.190 8.698 17.335 1.00 19.44 C ATOM 950 CD GLU A 205 -16.391 7.825 16.997 1.00 21.61 C ATOM 951 OE1 GLU A 205 -16.930 7.204 17.926 1.00 22.67 O ATOM 952 OE2 GLU A 205 -16.808 7.781 15.814 1.00 25.75 O ATOM 953 H GLU A 205 -15.907 11.478 17.239 1.00 0.00 H ATOM 954 N THR A 206 -16.592 10.458 21.283 1.00 19.11 N ATOM 955 CA THR A 206 -16.451 11.148 22.563 1.00 17.64 C ATOM 956 C THR A 206 -15.079 10.839 23.148 1.00 16.56 C ATOM 957 O THR A 206 -14.762 9.678 23.442 1.00 18.79 O ATOM 958 CB THR A 206 -17.545 10.757 23.550 1.00 21.88 C ATOM 959 OG1 THR A 206 -18.799 11.182 23.022 1.00 23.49 O ATOM 960 CG2 THR A 206 -17.324 11.443 24.889 1.00 23.56 C ATOM 961 HG1 THR A 206 -18.788 12.164 22.899 1.00 0.00 H ATOM 962 H THR A 206 -16.841 9.448 21.277 1.00 0.00 H ATOM 963 N TRP A 207 -14.293 11.889 23.336 1.00 16.02 N ATOM 964 CA TRP A 207 -12.933 11.813 23.851 1.00 13.69 C ATOM 965 C TRP A 207 -12.939 12.147 25.340 1.00 17.03 C ATOM 966 O TRP A 207 -13.602 13.098 25.766 1.00 18.73 O ATOM 967 CB TRP A 207 -12.033 12.778 23.071 1.00 13.92 C ATOM 968 CG TRP A 207 -12.049 12.436 21.641 1.00 15.25 C ATOM 969 CD1 TRP A 207 -12.737 13.075 20.647 1.00 16.84 C ATOM 970 CD2 TRP A 207 -11.401 11.319 21.025 1.00 13.77 C ATOM 971 NE1 TRP A 207 -12.564 12.418 19.460 1.00 15.27 N ATOM 972 CE2 TRP A 207 -11.741 11.343 19.659 1.00 14.03 C ATOM 973 CE3 TRP A 207 -10.571 10.300 21.496 1.00 13.46 C ATOM 974 CZ2 TRP A 207 -11.268 10.398 18.757 1.00 13.71 C ATOM 975 CZ3 TRP A 207 -10.098 9.366 20.599 1.00 14.60 C ATOM 976 CH2 TRP A 207 -10.458 9.410 19.248 1.00 14.80 C ATOM 977 HE1 TRP A 207 -12.990 12.692 18.551 1.00 0.00 H ATOM 978 H TRP A 207 -14.672 12.828 23.100 1.00 0.00 H ATOM 979 N THR A 208 -12.209 11.359 26.135 1.00 17.20 N ATOM 980 CA THR A 208 -12.189 11.566 27.578 1.00 19.14 C ATOM 981 C THR A 208 -10.783 11.428 28.145 1.00 21.98 C ATOM 982 O THR A 208 -9.846 10.966 27.489 1.00 21.79 O ATOM 983 CB THR A 208 -13.099 10.562 28.297 1.00 22.99 C ATOM 984 OG1 THR A 208 -12.500 9.268 28.222 1.00 24.13 O ATOM 985 CG2 THR A 208 -14.468 10.502 27.640 1.00 25.27 C ATOM 986 HG1 THR A 208 -13.079 8.610 28.683 1.00 0.00 H ATOM 987 H THR A 208 -11.648 10.588 25.719 1.00 0.00 H ATOM 988 N SER A 209 -10.658 11.826 29.408 1.00 22.81 N ATOM 989 CA SER A 209 -9.508 11.483 30.228 1.00 26.46 C ATOM 990 C SER A 209 -9.836 10.371 31.213 1.00 29.77 C ATOM 991 O SER A 209 -9.118 10.188 32.195 1.00 35.06 O ATOM 992 CB SER A 209 -9.005 12.719 30.967 1.00 27.89 C ATOM 993 OG SER A 209 -10.035 13.288 31.751 1.00 32.65 O ATOM 994 HG SER A 209 -9.687 14.087 32.221 1.00 0.00 H ATOM 995 H SER A 209 -11.414 12.406 29.826 1.00 0.00 H ATOM 996 N SER A 210 -10.910 9.630 30.961 1.00 28.73 N ATOM 997 CA SER A 210 -11.429 8.636 31.892 1.00 31.10 C ATOM 998 C SER A 210 -11.644 7.323 31.146 1.00 31.28 C ATOM 999 O SER A 210 -11.113 7.101 30.051 1.00 31.05 O ATOM 1000 CB SER A 210 -12.741 9.120 32.520 1.00 33.25 C ATOM 1001 OG SER A 210 -13.818 9.032 31.568 1.00 34.35 O ATOM 1002 HG SER A 210 -14.656 9.348 31.990 1.00 0.00 H ATOM 1003 H SER A 210 -11.404 9.766 30.056 1.00 0.00 H ATOM 1004 N SER A 211 -12.450 6.441 31.741 1.00 34.25 N ATOM 1005 CA SER A 211 -12.837 5.170 31.137 1.00 34.95 C ATOM 1006 C SER A 211 -14.028 5.292 30.190 1.00 34.71 C ATOM 1007 O SER A 211 -14.334 4.331 29.476 1.00 35.22 O ATOM 1008 CB SER A 211 -13.186 4.157 32.232 1.00 35.89 C ATOM 1009 OG SER A 211 -14.294 4.599 32.988 1.00 37.47 O ATOM 1010 HG SER A 211 -14.078 5.467 33.412 1.00 0.00 H ATOM 1011 H SER A 211 -12.822 6.672 32.685 1.00 0.00 H ATOM 1012 N LYS A 212 -14.718 6.423 30.180 1.00 34.53 N ATOM 1013 CA LYS A 212 -15.836 6.596 29.275 1.00 34.51 C ATOM 1014 C LYS A 212 -15.328 6.909 27.871 1.00 30.84 C ATOM 1015 O LYS A 212 -14.171 7.295 27.666 1.00 32.72 O ATOM 1016 CB LYS A 212 -16.759 7.710 29.765 1.00 37.78 C ATOM 1017 CG LYS A 212 -17.446 7.405 31.080 1.00 42.12 C ATOM 1018 CD LYS A 212 -18.517 8.434 31.381 1.00 45.73 C ATOM 1019 CE LYS A 212 -19.275 8.105 32.661 1.00 46.85 C ATOM 1020 NZ LYS A 212 -20.377 9.070 32.887 1.00 47.13 N ATOM 1021 HZ1 LYS A 212 -19.985 10.030 32.968 1.00 0.00 H ATOM 1022 HZ2 LYS A 212 -21.040 9.031 32.086 1.00 0.00 H ATOM 1023 HZ3 LYS A 212 -20.877 8.824 33.765 1.00 0.00 H ATOM 1024 H LYS A 212 -14.455 7.193 30.827 1.00 0.00 H ATOM 1025 N GLY A 213 -16.203 6.726 26.894 1.00 26.36 N ATOM 1026 CA GLY A 213 -15.823 7.047 25.530 1.00 24.03 C ATOM 1027 C GLY A 213 -14.494 6.423 25.162 1.00 22.15 C ATOM 1028 O GLY A 213 -14.182 5.289 25.553 1.00 23.65 O ATOM 1029 H GLY A 213 -17.153 6.356 27.102 1.00 0.00 H ATOM 1030 N TYR A 214 -13.677 7.190 24.436 1.00 17.83 N ATOM 1031 CA TYR A 214 -12.320 6.798 24.078 1.00 17.01 C ATOM 1032 C TYR A 214 -11.334 7.646 24.865 1.00 16.92 C ATOM 1033 O TYR A 214 -11.358 8.879 24.772 1.00 16.11 O ATOM 1034 CB TYR A 214 -12.067 6.990 22.586 1.00 17.63 C ATOM 1035 CG TYR A 214 -12.764 5.998 21.712 1.00 18.77 C ATOM 1036 CD1 TYR A 214 -12.408 4.669 21.741 1.00 18.98 C ATOM 1037 CD2 TYR A 214 -13.766 6.393 20.838 1.00 20.28 C ATOM 1038 CE1 TYR A 214 -13.024 3.755 20.932 1.00 19.19 C ATOM 1039 CE2 TYR A 214 -14.391 5.482 20.014 1.00 20.49 C ATOM 1040 CZ TYR A 214 -14.024 4.161 20.073 1.00 22.61 C ATOM 1041 OH TYR A 214 -14.642 3.229 19.262 1.00 26.24 O ATOM 1042 HH TYR A 214 -14.256 2.334 19.436 1.00 0.00 H ATOM 1043 H TYR A 214 -14.027 8.113 24.110 1.00 0.00 H ATOM 1044 N ASN A 215 -10.431 6.989 25.586 1.00 17.25 N ATOM 1045 CA ASN A 215 -9.425 7.706 26.349 1.00 16.90 C ATOM 1046 C ASN A 215 -8.421 8.331 25.386 1.00 15.41 C ATOM 1047 O ASN A 215 -7.761 7.622 24.629 1.00 13.67 O ATOM 1048 CB ASN A 215 -8.752 6.746 27.319 1.00 18.14 C ATOM 1049 CG ASN A 215 -7.718 7.413 28.167 1.00 20.81 C ATOM 1050 OD1 ASN A 215 -6.550 7.519 27.772 1.00 20.18 O ATOM 1051 ND2 ASN A 215 -8.126 7.860 29.352 1.00 21.90 N ATOM 1052 HD22 ASN A 215 -9.120 7.746 29.637 1.00 0.00 H ATOM 1053 HD21 ASN A 215 -7.451 8.323 29.993 1.00 0.00 H ATOM 1054 H ASN A 215 -10.445 5.949 25.604 1.00 0.00 H ATOM 1055 N LEU A 216 -8.333 9.659 25.388 1.00 15.92 N ATOM 1056 CA LEU A 216 -7.537 10.353 24.376 1.00 14.73 C ATOM 1057 C LEU A 216 -6.062 9.993 24.486 1.00 13.10 C ATOM 1058 O LEU A 216 -5.385 9.815 23.467 1.00 14.43 O ATOM 1059 CB LEU A 216 -7.730 11.866 24.493 1.00 14.68 C ATOM 1060 CG LEU A 216 -6.947 12.719 23.452 1.00 14.04 C ATOM 1061 CD1 LEU A 216 -7.351 12.381 22.056 1.00 14.63 C ATOM 1062 CD2 LEU A 216 -7.113 14.205 23.647 1.00 16.48 C ATOM 1063 H LEU A 216 -8.834 10.208 26.115 1.00 0.00 H ATOM 1064 N PHE A 217 -5.535 9.908 25.708 1.00 14.55 N ATOM 1065 CA PHE A 217 -4.135 9.516 25.865 1.00 13.40 C ATOM 1066 C PHE A 217 -3.863 8.185 25.183 1.00 14.30 C ATOM 1067 O PHE A 217 -2.910 8.056 24.411 1.00 13.74 O ATOM 1068 CB PHE A 217 -3.747 9.431 27.342 1.00 14.40 C ATOM 1069 CG PHE A 217 -2.524 8.597 27.582 1.00 15.80 C ATOM 1070 CD1 PHE A 217 -1.260 9.078 27.255 1.00 15.33 C ATOM 1071 CD2 PHE A 217 -2.647 7.308 28.087 1.00 16.64 C ATOM 1072 CE1 PHE A 217 -0.134 8.278 27.454 1.00 15.98 C ATOM 1073 CE2 PHE A 217 -1.552 6.523 28.286 1.00 18.38 C ATOM 1074 CZ PHE A 217 -0.291 7.003 27.983 1.00 19.06 C ATOM 1075 H PHE A 217 -6.116 10.119 26.544 1.00 0.00 H ATOM 1076 N LEU A 218 -4.690 7.171 25.462 1.00 13.81 N ATOM 1077 CA LEU A 218 -4.402 5.854 24.905 1.00 13.92 C ATOM 1078 C LEU A 218 -4.509 5.865 23.386 1.00 14.51 C ATOM 1079 O LEU A 218 -3.666 5.291 22.693 1.00 13.99 O ATOM 1080 CB LEU A 218 -5.337 4.802 25.499 1.00 15.39 C ATOM 1081 CG LEU A 218 -5.057 4.348 26.908 1.00 18.08 C ATOM 1082 CD1 LEU A 218 -6.185 3.476 27.300 1.00 20.18 C ATOM 1083 CD2 LEU A 218 -3.734 3.605 26.996 1.00 18.90 C ATOM 1084 H LEU A 218 -5.524 7.319 26.066 1.00 0.00 H ATOM 1085 N VAL A 219 -5.528 6.517 22.841 1.00 12.74 N ATOM 1086 CA VAL A 219 -5.656 6.508 21.394 1.00 11.53 C ATOM 1087 C VAL A 219 -4.518 7.301 20.757 1.00 11.62 C ATOM 1088 O VAL A 219 -3.967 6.892 19.736 1.00 13.67 O ATOM 1089 CB VAL A 219 -7.049 7.023 20.973 1.00 12.74 C ATOM 1090 CG1 VAL A 219 -7.175 7.115 19.443 1.00 14.36 C ATOM 1091 CG2 VAL A 219 -8.136 6.093 21.514 1.00 14.27 C ATOM 1092 H VAL A 219 -6.217 7.021 23.434 1.00 0.00 H ATOM 1093 N ALA A 220 -4.150 8.444 21.347 1.00 12.46 N ATOM 1094 CA ALA A 220 -3.071 9.256 20.785 1.00 13.07 C ATOM 1095 C ALA A 220 -1.740 8.527 20.839 1.00 12.70 C ATOM 1096 O ALA A 220 -0.941 8.605 19.892 1.00 13.37 O ATOM 1097 CB ALA A 220 -2.971 10.588 21.517 1.00 14.82 C ATOM 1098 H ALA A 220 -4.635 8.758 22.212 1.00 0.00 H ATOM 1099 N ALA A 221 -1.460 7.850 21.953 1.00 12.91 N ATOM 1100 CA ALA A 221 -0.211 7.106 22.048 1.00 12.91 C ATOM 1101 C ALA A 221 -0.123 6.068 20.938 1.00 12.60 C ATOM 1102 O ALA A 221 0.924 5.927 20.282 1.00 13.92 O ATOM 1103 CB ALA A 221 -0.086 6.474 23.436 1.00 14.14 C ATOM 1104 H ALA A 221 -2.129 7.853 22.749 1.00 0.00 H ATOM 1105 N HIS A 222 -1.226 5.363 20.683 1.00 13.21 N ATOM 1106 CA HIS A 222 -1.290 4.403 19.586 1.00 13.74 C ATOM 1107 C HIS A 222 -1.080 5.095 18.233 1.00 12.88 C ATOM 1108 O HIS A 222 -0.291 4.646 17.397 1.00 15.10 O ATOM 1109 CB HIS A 222 -2.650 3.684 19.662 1.00 12.60 C ATOM 1110 CG HIS A 222 -2.924 2.741 18.543 1.00 13.58 C ATOM 1111 ND1 HIS A 222 -2.836 1.371 18.685 1.00 15.48 N ATOM 1112 CD2 HIS A 222 -3.345 2.963 17.276 1.00 12.77 C ATOM 1113 CE1 HIS A 222 -3.159 0.792 17.541 1.00 16.43 C ATOM 1114 NE2 HIS A 222 -3.473 1.734 16.671 1.00 15.75 N ATOM 1115 H HIS A 222 -2.064 5.501 21.283 1.00 0.00 H ATOM 1116 N GLU A 223 -1.783 6.195 17.997 1.00 13.44 N ATOM 1117 CA GLU A 223 -1.693 6.859 16.699 1.00 13.57 C ATOM 1118 C GLU A 223 -0.304 7.439 16.467 1.00 12.93 C ATOM 1119 O GLU A 223 0.198 7.403 15.345 1.00 15.65 O ATOM 1120 CB GLU A 223 -2.754 7.959 16.574 1.00 11.26 C ATOM 1121 CG GLU A 223 -4.171 7.452 16.508 1.00 14.11 C ATOM 1122 CD GLU A 223 -4.416 6.535 15.349 1.00 15.04 C ATOM 1123 OE1 GLU A 223 -3.789 6.717 14.287 1.00 18.60 O ATOM 1124 OE2 GLU A 223 -5.208 5.593 15.520 1.00 14.94 O ATOM 1125 H GLU A 223 -2.400 6.586 18.738 1.00 0.00 H ATOM 1126 N PHE A 224 0.341 7.966 17.517 1.00 12.86 N ATOM 1127 CA PHE A 224 1.704 8.475 17.368 1.00 12.61 C ATOM 1128 C PHE A 224 2.675 7.333 17.084 1.00 13.25 C ATOM 1129 O PHE A 224 3.716 7.538 16.449 1.00 15.36 O ATOM 1130 CB PHE A 224 2.125 9.252 18.624 1.00 13.44 C ATOM 1131 CG PHE A 224 1.319 10.522 18.890 1.00 11.82 C ATOM 1132 CD1 PHE A 224 0.569 11.132 17.896 1.00 13.48 C ATOM 1133 CD2 PHE A 224 1.323 11.099 20.154 1.00 14.04 C ATOM 1134 CE1 PHE A 224 -0.158 12.271 18.153 1.00 15.31 C ATOM 1135 CE2 PHE A 224 0.597 12.242 20.413 1.00 15.20 C ATOM 1136 CZ PHE A 224 -0.157 12.824 19.407 1.00 15.19 C ATOM 1137 H PHE A 224 -0.130 8.013 18.443 1.00 0.00 H ATOM 1138 N GLY A 225 2.361 6.124 17.537 1.00 15.20 N ATOM 1139 CA GLY A 225 3.124 4.973 17.081 1.00 15.21 C ATOM 1140 C GLY A 225 3.095 4.856 15.569 1.00 14.03 C ATOM 1141 O GLY A 225 4.125 4.642 14.933 1.00 15.77 O ATOM 1142 H GLY A 225 1.578 6.002 18.210 1.00 0.00 H ATOM 1143 N HIS A 226 1.913 5.044 14.969 1.00 13.94 N ATOM 1144 CA HIS A 226 1.819 5.042 13.515 1.00 16.74 C ATOM 1145 C HIS A 226 2.579 6.228 12.917 1.00 16.62 C ATOM 1146 O HIS A 226 3.234 6.088 11.877 1.00 16.84 O ATOM 1147 CB HIS A 226 0.352 5.085 13.064 1.00 16.55 C ATOM 1148 CG HIS A 226 -0.454 3.839 13.350 1.00 15.57 C ATOM 1149 ND1 HIS A 226 -0.012 2.562 13.072 1.00 17.59 N ATOM 1150 CD2 HIS A 226 -1.721 3.699 13.814 1.00 18.29 C ATOM 1151 CE1 HIS A 226 -0.958 1.690 13.382 1.00 17.86 C ATOM 1152 NE2 HIS A 226 -2.006 2.357 13.832 1.00 15.23 N ATOM 1153 H HIS A 226 1.059 5.192 15.543 1.00 0.00 H ATOM 1154 N SER A 227 2.481 7.404 13.546 1.00 15.69 N ATOM 1155 CA SER A 227 3.203 8.596 13.100 1.00 14.63 C ATOM 1156 C SER A 227 4.706 8.385 13.079 1.00 15.18 C ATOM 1157 O SER A 227 5.418 9.066 12.321 1.00 16.00 O ATOM 1158 CB SER A 227 2.912 9.788 14.018 1.00 16.67 C ATOM 1159 OG SER A 227 1.546 10.175 14.034 1.00 15.43 O ATOM 1160 HG SER A 227 1.266 10.431 13.120 1.00 0.00 H ATOM 1161 H SER A 227 1.869 7.474 14.384 1.00 0.00 H ATOM 1162 N LEU A 228 5.199 7.473 13.889 1.00 14.34 N ATOM 1163 CA LEU A 228 6.621 7.197 13.992 1.00 14.17 C ATOM 1164 C LEU A 228 7.039 5.991 13.168 1.00 15.31 C ATOM 1165 O LEU A 228 8.230 5.660 13.141 1.00 17.87 O ATOM 1166 CB LEU A 228 6.990 6.992 15.463 1.00 15.84 C ATOM 1167 CG LEU A 228 6.815 8.235 16.335 1.00 16.74 C ATOM 1168 CD1 LEU A 228 6.976 7.887 17.798 1.00 16.47 C ATOM 1169 CD2 LEU A 228 7.762 9.334 15.943 1.00 17.53 C ATOM 1170 H LEU A 228 4.542 6.926 14.481 1.00 0.00 H ATOM 1171 N GLY A 229 6.103 5.336 12.489 1.00 18.95 N ATOM 1172 CA GLY A 229 6.429 4.262 11.583 1.00 20.37 C ATOM 1173 C GLY A 229 6.081 2.869 12.048 1.00 19.38 C ATOM 1174 O GLY A 229 6.415 1.907 11.349 1.00 21.07 O ATOM 1175 H GLY A 229 5.106 5.606 12.615 1.00 0.00 H ATOM 1176 N LEU A 230 5.410 2.720 13.182 1.00 21.49 N ATOM 1177 CA LEU A 230 5.017 1.396 13.644 1.00 22.97 C ATOM 1178 C LEU A 230 3.723 0.941 12.974 1.00 21.55 C ATOM 1179 O LEU A 230 2.847 1.755 12.628 1.00 19.82 O ATOM 1180 CB LEU A 230 4.823 1.373 15.163 1.00 22.82 C ATOM 1181 CG LEU A 230 6.055 1.540 16.035 1.00 22.86 C ATOM 1182 CD1 LEU A 230 5.629 1.537 17.486 1.00 23.16 C ATOM 1183 CD2 LEU A 230 7.069 0.424 15.755 1.00 24.06 C ATOM 1184 H LEU A 230 5.162 3.557 13.747 1.00 0.00 H ATOM 1185 N ASP A 231 3.623 -0.383 12.789 1.00 21.44 N ATOM 1186 CA ASP A 231 2.419 -1.065 12.351 1.00 22.93 C ATOM 1187 C ASP A 231 1.806 -1.790 13.552 1.00 21.81 C ATOM 1188 O ASP A 231 2.255 -1.637 14.690 1.00 23.87 O ATOM 1189 CB ASP A 231 2.738 -2.006 11.189 1.00 29.99 C ATOM 1190 CG ASP A 231 3.778 -3.066 11.554 1.00 38.73 C ATOM 1191 OD1 ASP A 231 4.412 -2.954 12.631 1.00 38.37 O ATOM 1192 OD2 ASP A 231 3.971 -4.011 10.753 1.00 44.44 O ATOM 1193 H ASP A 231 4.467 -0.962 12.972 1.00 0.00 H ATOM 1194 N HIS A 232 0.761 -2.576 13.304 1.00 20.53 N ATOM 1195 CA HIS A 232 0.041 -3.184 14.405 1.00 21.92 C ATOM 1196 C HIS A 232 0.761 -4.422 14.950 1.00 22.47 C ATOM 1197 O HIS A 232 1.534 -5.092 14.266 1.00 23.89 O ATOM 1198 CB HIS A 232 -1.383 -3.545 13.967 1.00 21.73 C ATOM 1199 CG HIS A 232 -2.291 -2.362 13.882 1.00 20.31 C ATOM 1200 ND1 HIS A 232 -3.256 -2.221 12.909 1.00 20.97 N ATOM 1201 CD2 HIS A 232 -2.357 -1.248 14.642 1.00 16.72 C ATOM 1202 CE1 HIS A 232 -3.891 -1.074 13.086 1.00 21.14 C ATOM 1203 NE2 HIS A 232 -3.367 -0.467 14.134 1.00 18.18 N ATOM 1204 H HIS A 232 0.462 -2.753 12.324 1.00 0.00 H ATOM 1205 N SER A 233 0.482 -4.710 16.217 1.00 22.90 N ATOM 1206 CA SER A 233 0.940 -5.902 16.910 1.00 20.36 C ATOM 1207 C SER A 233 -0.156 -6.961 16.960 1.00 22.23 C ATOM 1208 O SER A 233 -1.346 -6.640 16.993 1.00 22.51 O ATOM 1209 CB SER A 233 1.342 -5.548 18.335 1.00 20.83 C ATOM 1210 OG SER A 233 1.790 -6.671 19.046 1.00 20.89 O ATOM 1211 HG SER A 233 2.041 -6.400 19.965 1.00 0.00 H ATOM 1212 H SER A 233 -0.104 -4.036 16.749 1.00 0.00 H ATOM 1213 N LYS A 234 0.264 -8.230 17.012 1.00 22.63 N ATOM 1214 CA LYS A 234 -0.633 -9.357 17.256 1.00 27.85 C ATOM 1215 C LYS A 234 -0.773 -9.682 18.735 1.00 27.06 C ATOM 1216 O LYS A 234 -1.562 -10.566 19.092 1.00 26.96 O ATOM 1217 CB LYS A 234 -0.130 -10.597 16.518 1.00 32.06 C ATOM 1218 CG LYS A 234 -0.289 -10.539 15.017 1.00 39.21 C ATOM 1219 CD LYS A 234 0.214 -11.832 14.365 1.00 46.46 C ATOM 1220 CE LYS A 234 -0.433 -12.082 12.998 1.00 52.02 C ATOM 1221 NZ LYS A 234 0.114 -11.208 11.899 1.00 54.95 N ATOM 1222 HZ1 LYS A 234 -0.047 -10.209 12.140 1.00 0.00 H ATOM 1223 HZ2 LYS A 234 1.134 -11.381 11.795 1.00 0.00 H ATOM 1224 HZ3 LYS A 234 -0.369 -11.433 11.006 1.00 0.00 H ATOM 1225 H LYS A 234 1.276 -8.423 16.872 1.00 0.00 H ATOM 1226 N ASP A 235 -0.026 -8.990 19.594 1.00 26.20 N ATOM 1227 CA ASP A 235 -0.044 -9.171 21.039 1.00 28.24 C ATOM 1228 C ASP A 235 -1.193 -8.359 21.623 1.00 26.73 C ATOM 1229 O ASP A 235 -1.147 -7.128 21.591 1.00 24.43 O ATOM 1230 CB ASP A 235 1.286 -8.720 21.642 1.00 28.74 C ATOM 1231 CG ASP A 235 1.400 -9.026 23.116 1.00 31.89 C ATOM 1232 OD1 ASP A 235 0.374 -9.059 23.818 1.00 32.47 O ATOM 1233 OD2 ASP A 235 2.543 -9.234 23.577 1.00 34.79 O ATOM 1234 H ASP A 235 0.615 -8.270 19.205 1.00 0.00 H ATOM 1235 N PRO A 236 -2.232 -9.000 22.155 1.00 26.68 N ATOM 1236 CA PRO A 236 -3.394 -8.242 22.629 1.00 24.50 C ATOM 1237 C PRO A 236 -3.085 -7.281 23.758 1.00 24.70 C ATOM 1238 O PRO A 236 -3.901 -6.381 24.019 1.00 26.33 O ATOM 1239 CB PRO A 236 -4.367 -9.340 23.071 1.00 26.70 C ATOM 1240 CG PRO A 236 -3.539 -10.504 23.298 1.00 29.97 C ATOM 1241 CD PRO A 236 -2.433 -10.445 22.317 1.00 28.55 C ATOM 1242 N GLY A 237 -1.946 -7.430 24.426 1.00 25.78 N ATOM 1243 CA GLY A 237 -1.536 -6.520 25.470 1.00 26.74 C ATOM 1244 C GLY A 237 -0.746 -5.320 24.994 1.00 24.68 C ATOM 1245 O GLY A 237 -0.440 -4.431 25.794 1.00 24.25 O ATOM 1246 H GLY A 237 -1.327 -8.231 24.188 1.00 0.00 H ATOM 1247 N ALA A 238 -0.420 -5.255 23.707 1.00 21.17 N ATOM 1248 CA ALA A 238 0.425 -4.194 23.193 1.00 21.24 C ATOM 1249 C ALA A 238 -0.378 -2.924 22.962 1.00 18.60 C ATOM 1250 O ALA A 238 -1.573 -2.973 22.681 1.00 21.47 O ATOM 1251 CB ALA A 238 1.076 -4.639 21.888 1.00 22.07 C ATOM 1252 H ALA A 238 -0.779 -5.981 23.054 1.00 0.00 H ATOM 1253 N LEU A 239 0.304 -1.771 23.085 1.00 17.56 N ATOM 1254 CA LEU A 239 -0.320 -0.501 22.734 1.00 15.98 C ATOM 1255 C LEU A 239 -0.743 -0.496 21.269 1.00 16.36 C ATOM 1256 O LEU A 239 -1.782 0.074 20.915 1.00 16.09 O ATOM 1257 CB LEU A 239 0.649 0.650 23.018 1.00 15.66 C ATOM 1258 CG LEU A 239 0.192 2.079 22.690 1.00 16.89 C ATOM 1259 CD1 LEU A 239 -0.984 2.545 23.581 1.00 16.82 C ATOM 1260 CD2 LEU A 239 1.356 3.012 22.828 1.00 16.55 C ATOM 1261 H LEU A 239 1.284 -1.786 23.433 1.00 0.00 H ATOM 1262 N MET A 240 0.057 -1.121 20.398 1.00 17.50 N ATOM 1263 CA MET A 240 -0.184 -1.131 18.960 1.00 18.04 C ATOM 1264 C MET A 240 -1.098 -2.289 18.495 1.00 18.79 C ATOM 1265 O MET A 240 -1.215 -2.533 17.282 1.00 17.92 O ATOM 1266 CB MET A 240 1.167 -1.170 18.232 1.00 16.62 C ATOM 1267 CG MET A 240 2.058 0.091 18.468 1.00 14.83 C ATOM 1268 SD MET A 240 1.188 1.636 18.193 1.00 16.80 S ATOM 1269 CE MET A 240 0.704 1.475 16.482 1.00 14.41 C ATOM 1270 H MET A 240 0.891 -1.624 20.764 1.00 0.00 H ATOM 1271 N PHE A 241 -1.762 -2.982 19.416 1.00 16.44 N ATOM 1272 CA PHE A 241 -2.803 -3.930 19.030 1.00 18.04 C ATOM 1273 C PHE A 241 -3.922 -3.185 18.294 1.00 17.47 C ATOM 1274 O PHE A 241 -4.179 -2.007 18.577 1.00 18.30 O ATOM 1275 CB PHE A 241 -3.338 -4.629 20.276 1.00 20.34 C ATOM 1276 CG PHE A 241 -4.184 -5.846 20.002 1.00 23.90 C ATOM 1277 CD1 PHE A 241 -3.657 -6.960 19.360 1.00 22.88 C ATOM 1278 CD2 PHE A 241 -5.498 -5.891 20.436 1.00 24.05 C ATOM 1279 CE1 PHE A 241 -4.435 -8.090 19.133 1.00 24.53 C ATOM 1280 CE2 PHE A 241 -6.271 -7.011 20.220 1.00 26.20 C ATOM 1281 CZ PHE A 241 -5.739 -8.109 19.555 1.00 25.99 C ATOM 1282 H PHE A 241 -1.537 -2.847 20.422 1.00 0.00 H ATOM 1283 N PRO A 242 -4.592 -3.825 17.326 1.00 19.50 N ATOM 1284 CA PRO A 242 -5.568 -3.084 16.491 1.00 19.98 C ATOM 1285 C PRO A 242 -6.865 -2.717 17.182 1.00 19.57 C ATOM 1286 O PRO A 242 -7.616 -1.895 16.634 1.00 20.68 O ATOM 1287 CB PRO A 242 -5.857 -4.054 15.338 1.00 20.52 C ATOM 1288 CG PRO A 242 -4.753 -5.015 15.346 1.00 22.99 C ATOM 1289 CD PRO A 242 -4.275 -5.140 16.743 1.00 22.79 C ATOM 1290 N ILE A 243 -7.191 -3.315 18.322 1.00 21.47 N ATOM 1291 CA ILE A 243 -8.490 -3.134 18.965 1.00 21.02 C ATOM 1292 C ILE A 243 -8.298 -2.336 20.246 1.00 20.51 C ATOM 1293 O ILE A 243 -7.441 -2.673 21.074 1.00 21.02 O ATOM 1294 CB ILE A 243 -9.149 -4.494 19.248 1.00 23.07 C ATOM 1295 CG1 ILE A 243 -9.371 -5.234 17.929 1.00 24.47 C ATOM 1296 CG2 ILE A 243 -10.450 -4.290 19.976 1.00 22.60 C ATOM 1297 CD1 ILE A 243 -9.718 -6.686 18.093 1.00 30.02 C ATOM 1298 H ILE A 243 -6.493 -3.938 18.776 1.00 0.00 H ATOM 1299 N TYR A 244 -9.091 -1.274 20.397 1.00 17.95 N ATOM 1300 CA TYR A 244 -9.050 -0.444 21.595 1.00 16.56 C ATOM 1301 C TYR A 244 -9.688 -1.133 22.792 1.00 18.50 C ATOM 1302 O TYR A 244 -10.801 -1.666 22.704 1.00 20.50 O ATOM 1303 CB TYR A 244 -9.759 0.880 21.338 1.00 18.68 C ATOM 1304 CG TYR A 244 -9.923 1.723 22.578 1.00 17.34 C ATOM 1305 CD1 TYR A 244 -8.946 2.620 22.955 1.00 17.22 C ATOM 1306 CD2 TYR A 244 -11.056 1.633 23.364 1.00 18.88 C ATOM 1307 CE1 TYR A 244 -9.079 3.399 24.071 1.00 20.27 C ATOM 1308 CE2 TYR A 244 -11.195 2.417 24.499 1.00 19.15 C ATOM 1309 CZ TYR A 244 -10.203 3.296 24.847 1.00 19.37 C ATOM 1310 OH TYR A 244 -10.332 4.080 25.975 1.00 18.94 O ATOM 1311 HH TYR A 244 -11.136 4.652 25.888 1.00 0.00 H ATOM 1312 H TYR A 244 -9.758 -1.031 19.637 1.00 0.00 H ATOM 1313 N THR A 245 -8.982 -1.090 23.923 1.00 21.98 N ATOM 1314 CA THR A 245 -9.525 -1.458 25.223 1.00 24.70 C ATOM 1315 C THR A 245 -9.006 -0.466 26.251 1.00 25.00 C ATOM 1316 O THR A 245 -8.020 0.240 26.021 1.00 26.92 O ATOM 1317 CB THR A 245 -9.142 -2.885 25.659 1.00 26.06 C ATOM 1318 OG1 THR A 245 -7.728 -2.949 25.934 1.00 27.45 O ATOM 1319 CG2 THR A 245 -9.518 -3.901 24.600 1.00 25.52 C ATOM 1320 HG1 THR A 245 -7.223 -2.709 25.117 1.00 0.00 H ATOM 1321 H THR A 245 -7.991 -0.777 23.874 1.00 0.00 H ATOM 1322 N TYR A 246 -9.713 -0.388 27.374 1.00 26.76 N ATOM 1323 CA TYR A 246 -9.317 0.426 28.518 1.00 28.79 C ATOM 1324 C TYR A 246 -9.150 -0.501 29.709 1.00 32.39 C ATOM 1325 O TYR A 246 -10.138 -1.018 30.238 1.00 34.27 O ATOM 1326 CB TYR A 246 -10.351 1.504 28.833 1.00 30.05 C ATOM 1327 CG TYR A 246 -9.935 2.407 29.964 1.00 29.58 C ATOM 1328 CD1 TYR A 246 -9.146 3.514 29.724 1.00 27.40 C ATOM 1329 CD2 TYR A 246 -10.321 2.149 31.281 1.00 31.25 C ATOM 1330 CE1 TYR A 246 -8.747 4.344 30.744 1.00 28.37 C ATOM 1331 CE2 TYR A 246 -9.928 2.989 32.316 1.00 33.27 C ATOM 1332 CZ TYR A 246 -9.138 4.088 32.032 1.00 31.96 C ATOM 1333 OH TYR A 246 -8.719 4.947 33.025 1.00 36.28 O ATOM 1334 HH TYR A 246 -8.167 5.666 32.627 1.00 0.00 H ATOM 1335 H TYR A 246 -10.594 -0.936 27.441 1.00 0.00 H ATOM 1336 N THR A 247 -7.908 -0.697 30.136 1.00 36.46 N ATOM 1337 CA THR A 247 -7.585 -1.634 31.202 1.00 42.29 C ATOM 1338 C THR A 247 -7.270 -0.937 32.518 1.00 45.21 C ATOM 1339 O THR A 247 -6.722 -1.576 33.419 1.00 47.68 O ATOM 1340 CB THR A 247 -6.403 -2.514 30.786 1.00 44.46 C ATOM 1341 OG1 THR A 247 -5.239 -1.695 30.617 1.00 45.68 O ATOM 1342 CG2 THR A 247 -6.697 -3.243 29.469 1.00 44.65 C ATOM 1343 HG1 THR A 247 -5.412 -1.018 29.915 1.00 0.00 H ATOM 1344 H THR A 247 -7.136 -0.160 29.692 1.00 0.00 H ATOM 1345 N GLY A 248 -7.582 0.355 32.646 1.00 44.44 N ATOM 1346 CA GLY A 248 -7.456 1.059 33.917 1.00 44.73 C ATOM 1347 C GLY A 248 -6.599 2.316 33.885 1.00 47.60 C ATOM 1348 O GLY A 248 -6.309 2.908 34.932 1.00 48.25 O ATOM 1349 H GLY A 248 -7.925 0.875 31.814 1.00 0.00 H TER 1350 GLY A 248 ATOM 1351 N PHE A 252 0.731 4.231 33.443 1.00 35.31 N ATOM 1352 CA PHE A 252 0.919 3.521 32.192 1.00 32.38 C ATOM 1353 C PHE A 252 2.386 3.177 32.010 1.00 31.77 C ATOM 1354 O PHE A 252 3.261 4.014 32.237 1.00 34.94 O ATOM 1355 CB PHE A 252 0.440 4.381 31.030 1.00 27.06 C ATOM 1356 CG PHE A 252 0.640 3.744 29.674 1.00 22.96 C ATOM 1357 CD1 PHE A 252 1.828 3.903 28.994 1.00 22.62 C ATOM 1358 CD2 PHE A 252 -0.368 2.999 29.084 1.00 22.80 C ATOM 1359 CE1 PHE A 252 2.023 3.311 27.763 1.00 22.84 C ATOM 1360 CE2 PHE A 252 -0.183 2.407 27.850 1.00 20.45 C ATOM 1361 CZ PHE A 252 1.012 2.567 27.184 1.00 21.88 C ATOM 1362 HN3 PHE A 252 1.291 5.107 33.430 1.00 0.00 H ATOM 1363 HN2 PHE A 252 1.044 3.630 34.232 1.00 0.00 H ATOM 1364 HN1 PHE A 252 -0.276 4.463 33.561 1.00 0.00 H ATOM 1365 N MET A 253 2.659 1.933 31.627 1.00 29.70 N ATOM 1366 CA MET A 253 3.995 1.522 31.217 1.00 26.50 C ATOM 1367 C MET A 253 3.897 0.954 29.813 1.00 22.79 C ATOM 1368 O MET A 253 2.984 0.176 29.515 1.00 23.68 O ATOM 1369 CB MET A 253 4.603 0.489 32.174 1.00 26.93 C ATOM 1370 CG MET A 253 6.079 0.164 31.889 1.00 26.94 C ATOM 1371 SD MET A 253 6.855 -0.977 33.066 1.00 27.54 S ATOM 1372 CE MET A 253 6.887 0.029 34.549 1.00 26.43 C ATOM 1373 H MET A 253 1.893 1.230 31.620 1.00 0.00 H ATOM 1374 N LEU A 254 4.812 1.361 28.955 1.00 21.02 N ATOM 1375 CA LEU A 254 4.789 0.908 27.573 1.00 19.65 C ATOM 1376 C LEU A 254 5.100 -0.578 27.524 1.00 19.97 C ATOM 1377 O LEU A 254 6.170 -0.987 28.005 1.00 21.89 O ATOM 1378 CB LEU A 254 5.793 1.687 26.728 1.00 19.23 C ATOM 1379 CG LEU A 254 5.712 1.373 25.231 1.00 18.20 C ATOM 1380 CD1 LEU A 254 4.375 1.773 24.604 1.00 17.49 C ATOM 1381 CD2 LEU A 254 6.853 2.032 24.479 1.00 19.90 C ATOM 1382 H LEU A 254 5.558 2.013 29.270 1.00 0.00 H ATOM 1383 N PRO A 255 4.225 -1.419 26.955 1.00 18.70 N ATOM 1384 CA PRO A 255 4.520 -2.863 26.913 1.00 19.96 C ATOM 1385 C PRO A 255 5.772 -3.182 26.110 1.00 20.45 C ATOM 1386 O PRO A 255 6.118 -2.492 25.150 1.00 20.89 O ATOM 1387 CB PRO A 255 3.276 -3.455 26.251 1.00 19.21 C ATOM 1388 CG PRO A 255 2.194 -2.496 26.575 1.00 20.16 C ATOM 1389 CD PRO A 255 2.850 -1.142 26.505 1.00 20.62 C ATOM 1390 N ASP A 256 6.433 -4.275 26.494 1.00 20.98 N ATOM 1391 CA ASP A 256 7.722 -4.602 25.894 1.00 24.07 C ATOM 1392 C ASP A 256 7.626 -4.850 24.387 1.00 22.79 C ATOM 1393 O ASP A 256 8.580 -4.571 23.649 1.00 23.06 O ATOM 1394 CB ASP A 256 8.348 -5.819 26.581 1.00 31.07 C ATOM 1395 CG ASP A 256 9.807 -5.941 26.254 1.00 37.85 C ATOM 1396 OD1 ASP A 256 10.532 -4.937 26.468 1.00 40.63 O ATOM 1397 OD2 ASP A 256 10.216 -6.993 25.721 1.00 39.07 O ATOM 1398 H ASP A 256 6.028 -4.896 27.223 1.00 0.00 H ATOM 1399 N ASP A 257 6.502 -5.377 23.905 1.00 24.39 N ATOM 1400 CA ASP A 257 6.361 -5.543 22.463 1.00 22.86 C ATOM 1401 C ASP A 257 6.504 -4.204 21.747 1.00 21.49 C ATOM 1402 O ASP A 257 7.140 -4.120 20.687 1.00 21.70 O ATOM 1403 CB ASP A 257 5.015 -6.193 22.135 1.00 25.60 C ATOM 1404 CG ASP A 257 4.912 -6.622 20.680 1.00 28.64 C ATOM 1405 OD1 ASP A 257 5.495 -7.682 20.334 1.00 34.34 O ATOM 1406 OD2 ASP A 257 4.249 -5.917 19.880 1.00 28.07 O ATOM 1407 H ASP A 257 5.737 -5.666 24.547 1.00 0.00 H ATOM 1408 N ASP A 258 5.919 -3.143 22.310 1.00 17.39 N ATOM 1409 CA ASP A 258 6.013 -1.828 21.685 1.00 18.40 C ATOM 1410 C ASP A 258 7.399 -1.227 21.872 1.00 20.89 C ATOM 1411 O ASP A 258 7.913 -0.561 20.968 1.00 18.96 O ATOM 1412 CB ASP A 258 4.939 -0.909 22.259 1.00 19.49 C ATOM 1413 CG ASP A 258 3.550 -1.546 22.220 1.00 19.02 C ATOM 1414 OD1 ASP A 258 2.961 -1.599 21.119 1.00 19.23 O ATOM 1415 OD2 ASP A 258 3.048 -1.982 23.284 1.00 20.80 O ATOM 1416 H ASP A 258 5.393 -3.255 23.200 1.00 0.00 H ATOM 1417 N VAL A 259 8.011 -1.440 23.040 1.00 20.29 N ATOM 1418 CA VAL A 259 9.398 -1.017 23.252 1.00 18.43 C ATOM 1419 C VAL A 259 10.310 -1.622 22.186 1.00 18.66 C ATOM 1420 O VAL A 259 11.132 -0.922 21.578 1.00 18.38 O ATOM 1421 CB VAL A 259 9.866 -1.396 24.670 1.00 18.92 C ATOM 1422 CG1 VAL A 259 11.340 -1.060 24.880 1.00 19.92 C ATOM 1423 CG2 VAL A 259 9.057 -0.679 25.715 1.00 18.70 C ATOM 1424 H VAL A 259 7.496 -1.913 23.810 1.00 0.00 H ATOM 1425 N GLN A 260 10.184 -2.937 21.949 1.00 19.40 N ATOM 1426 CA GLN A 260 11.020 -3.591 20.940 1.00 23.33 C ATOM 1427 C GLN A 260 10.767 -3.009 19.558 1.00 22.35 C ATOM 1428 O GLN A 260 11.704 -2.798 18.774 1.00 23.53 O ATOM 1429 CB GLN A 260 10.753 -5.094 20.912 1.00 26.57 C ATOM 1430 CG GLN A 260 11.041 -5.826 22.198 1.00 32.17 C ATOM 1431 CD GLN A 260 10.406 -7.242 22.227 1.00 40.56 C ATOM 1432 OE1 GLN A 260 9.898 -7.739 21.216 1.00 44.58 O ATOM 1433 NE2 GLN A 260 10.426 -7.876 23.389 1.00 41.99 N ATOM 1434 HE22 GLN A 260 10.862 -7.427 24.219 1.00 0.00 H ATOM 1435 HE21 GLN A 260 10.005 -8.823 23.472 1.00 0.00 H ATOM 1436 H GLN A 260 9.489 -3.495 22.485 1.00 0.00 H ATOM 1437 N GLY A 261 9.497 -2.796 19.220 1.00 21.34 N ATOM 1438 CA GLY A 261 9.168 -2.283 17.905 1.00 21.23 C ATOM 1439 C GLY A 261 9.745 -0.906 17.644 1.00 22.17 C ATOM 1440 O GLY A 261 10.278 -0.649 16.567 1.00 23.16 O ATOM 1441 H GLY A 261 8.738 -2.998 19.902 1.00 0.00 H ATOM 1442 N ILE A 262 9.645 0.002 18.618 1.00 21.56 N ATOM 1443 CA ILE A 262 10.115 1.359 18.367 1.00 19.21 C ATOM 1444 C ILE A 262 11.633 1.405 18.443 1.00 20.09 C ATOM 1445 O ILE A 262 12.277 2.178 17.720 1.00 20.67 O ATOM 1446 CB ILE A 262 9.452 2.371 19.326 1.00 18.39 C ATOM 1447 CG1 ILE A 262 9.648 3.800 18.804 1.00 18.07 C ATOM 1448 CG2 ILE A 262 9.976 2.250 20.759 1.00 17.36 C ATOM 1449 CD1 ILE A 262 8.728 4.154 17.645 1.00 16.53 C ATOM 1450 H ILE A 262 9.239 -0.255 19.540 1.00 0.00 H ATOM 1451 N GLN A 263 12.231 0.557 19.271 1.00 19.86 N ATOM 1452 CA GLN A 263 13.686 0.531 19.352 1.00 21.04 C ATOM 1453 C GLN A 263 14.295 -0.144 18.132 1.00 22.08 C ATOM 1454 O GLN A 263 15.439 0.150 17.764 1.00 23.71 O ATOM 1455 CB GLN A 263 14.131 -0.153 20.647 1.00 20.19 C ATOM 1456 CG GLN A 263 13.877 0.693 21.871 1.00 21.31 C ATOM 1457 CD GLN A 263 14.397 0.062 23.133 1.00 21.85 C ATOM 1458 OE1 GLN A 263 14.802 -1.096 23.130 1.00 23.16 O ATOM 1459 NE2 GLN A 263 14.389 0.817 24.230 1.00 20.34 N ATOM 1460 HE22 GLN A 263 14.036 1.794 24.186 1.00 0.00 H ATOM 1461 HE21 GLN A 263 14.735 0.429 25.131 1.00 0.00 H ATOM 1462 H GLN A 263 11.664 -0.086 19.859 1.00 0.00 H ATOM 1463 N SER A 264 13.554 -1.018 17.461 1.00 23.79 N ATOM 1464 CA SER A 264 14.118 -1.564 16.244 1.00 26.92 C ATOM 1465 C SER A 264 14.206 -0.507 15.149 1.00 24.65 C ATOM 1466 O SER A 264 15.006 -0.660 14.224 1.00 28.58 O ATOM 1467 CB SER A 264 13.328 -2.787 15.776 1.00 29.13 C ATOM 1468 OG SER A 264 12.008 -2.461 15.445 1.00 35.03 O ATOM 1469 HG SER A 264 11.554 -2.083 16.239 1.00 0.00 H ATOM 1470 H SER A 264 12.610 -1.298 17.795 1.00 0.00 H ATOM 1471 N LEU A 265 13.418 0.568 15.236 1.00 25.86 N ATOM 1472 CA LEU A 265 13.501 1.652 14.274 1.00 26.86 C ATOM 1473 C LEU A 265 14.485 2.734 14.696 1.00 26.09 C ATOM 1474 O LEU A 265 15.268 3.213 13.867 1.00 28.40 O ATOM 1475 CB LEU A 265 12.116 2.278 14.065 1.00 25.92 C ATOM 1476 CG LEU A 265 11.072 1.428 13.343 1.00 26.89 C ATOM 1477 CD1 LEU A 265 9.726 2.153 13.322 1.00 28.23 C ATOM 1478 CD2 LEU A 265 11.546 1.120 11.936 1.00 28.88 C ATOM 1479 H LEU A 265 12.728 0.630 16.012 1.00 0.00 H ATOM 1480 N TYR A 266 14.485 3.113 15.972 1.00 24.41 N ATOM 1481 CA TYR A 266 15.226 4.281 16.432 1.00 24.48 C ATOM 1482 C TYR A 266 16.332 3.973 17.429 1.00 23.54 C ATOM 1483 O TYR A 266 17.109 4.881 17.755 1.00 22.36 O ATOM 1484 CB TYR A 266 14.256 5.305 17.053 1.00 24.31 C ATOM 1485 CG TYR A 266 13.238 5.796 16.060 1.00 20.89 C ATOM 1486 CD1 TYR A 266 13.600 6.688 15.076 1.00 19.47 C ATOM 1487 CD2 TYR A 266 11.926 5.321 16.067 1.00 16.61 C ATOM 1488 CE1 TYR A 266 12.689 7.127 14.146 1.00 19.03 C ATOM 1489 CE2 TYR A 266 11.005 5.753 15.135 1.00 18.75 C ATOM 1490 CZ TYR A 266 11.399 6.656 14.166 1.00 20.18 C ATOM 1491 OH TYR A 266 10.525 7.137 13.206 1.00 20.09 O ATOM 1492 HH TYR A 266 10.175 6.381 12.672 1.00 0.00 H ATOM 1493 H TYR A 266 13.939 2.559 16.662 1.00 0.00 H ATOM 1494 N GLY A 267 16.443 2.737 17.906 1.00 23.74 N ATOM 1495 CA GLY A 267 17.417 2.400 18.916 1.00 24.12 C ATOM 1496 C GLY A 267 16.918 2.724 20.310 1.00 24.80 C ATOM 1497 O GLY A 267 15.866 3.338 20.484 1.00 24.83 O ATOM 1498 H GLY A 267 15.812 1.995 17.542 1.00 0.00 H ATOM 1499 N PRO A 268 17.661 2.322 21.332 1.00 27.04 N ATOM 1500 CA PRO A 268 17.246 2.604 22.708 1.00 27.26 C ATOM 1501 C PRO A 268 17.583 4.029 23.131 1.00 29.72 C ATOM 1502 O PRO A 268 18.330 4.750 22.473 1.00 31.50 O ATOM 1503 CB PRO A 268 18.057 1.591 23.517 1.00 27.59 C ATOM 1504 CG PRO A 268 19.305 1.465 22.727 1.00 27.95 C ATOM 1505 CD PRO A 268 18.893 1.511 21.298 1.00 28.55 C ATOM 1506 N GLY A 269 17.028 4.412 24.273 1.00 30.16 N ATOM 1507 CA GLY A 269 17.295 5.706 24.859 1.00 31.32 C ATOM 1508 C GLY A 269 18.623 5.728 25.590 1.00 34.46 C ATOM 1509 O GLY A 269 19.585 6.292 25.088 1.00 37.60 O ATOM 1510 H GLY A 269 16.381 3.761 24.762 1.00 0.00 H TER 1511 GLY A 269 HETATM 1512 ZN ZN A 1 -3.665 1.449 14.626 1.00 17.49 ZN HETATM 1513 ZN ZN A 2 -7.596 12.526 8.158 1.00 16.18 ZN HETATM 1514 CA CA A 3 -16.500 7.654 13.635 1.00 17.25 CA HETATM 1515 CA CA A 4 -16.557 14.669 20.294 1.00 19.58 CA HETATM 1516 CA CA A 5 3.477 16.151 8.677 1.00 16.02 CA HETATM 1517 O HOH 6 -3.891 26.036 25.676 1.00 37.89 O HETATM 1518 O HOH 7 -16.851 11.448 1.461 1.00 43.15 O HETATM 1519 O HOH 8 9.073 -8.802 26.932 1.00 38.38 O HETATM 1520 O HOH 9 14.678 10.723 23.942 1.00 24.12 O HETATM 1521 O HOH 10 -10.449 21.051 24.440 1.00 24.23 O HETATM 1522 O HOH 11 -10.252 6.603 1.505 1.00 33.39 O HETATM 1523 O HOH 12 11.187 11.431 27.282 1.00 24.45 O HETATM 1524 O HOH 13 4.475 12.012 3.204 1.00 30.74 O HETATM 1525 O HOH 14 -6.898 17.749 7.274 1.00 37.19 O HETATM 1526 O HOH 15 -12.716 3.874 27.198 1.00 29.39 O HETATM 1527 O HOH 16 8.021 17.437 8.380 1.00 22.11 O HETATM 1528 O HOH 17 -15.161 6.907 6.117 1.00 27.66 O HETATM 1529 O HOH 18 -0.471 -4.793 28.411 1.00 40.73 O HETATM 1530 O HOH 19 -2.768 23.499 30.691 1.00 47.05 O HETATM 1531 O HOH 20 5.873 8.544 3.605 1.00 33.46 O HETATM 1532 O HOH 21 3.703 18.556 8.610 1.00 16.35 O HETATM 1533 O HOH 22 18.270 12.562 20.484 1.00 36.66 O HETATM 1534 O HOH 23 12.766 -7.686 25.532 1.00 42.24 O HETATM 1535 O HOH 24 4.669 -9.994 22.189 1.00 33.44 O HETATM 1536 O HOH 25 -15.172 13.903 27.745 1.00 31.08 O HETATM 1537 O HOH 26 6.536 7.096 29.425 1.00 25.15 O HETATM 1538 O HOH 27 -21.359 14.222 16.916 1.00 25.16 O HETATM 1539 O HOH 28 -1.816 27.838 18.803 1.00 24.93 O HETATM 1540 O HOH 29 -11.820 12.958 0.304 1.00 46.46 O HETATM 1541 O HOH 30 0.630 18.916 7.369 1.00 21.64 O HETATM 1542 O HOH 31 -3.821 -11.597 18.065 1.00 41.42 O HETATM 1543 O HOH 32 -17.785 16.393 19.523 1.00 20.81 O HETATM 1544 O HOH 33 12.805 9.682 30.471 1.00 48.84 O HETATM 1545 O HOH 34 -6.412 -3.297 23.482 1.00 29.66 O HETATM 1546 O HOH 35 -7.845 17.635 9.915 1.00 31.63 O HETATM 1547 O HOH 36 11.548 19.494 12.893 1.00 46.62 O HETATM 1548 O HOH 37 -5.844 14.332 29.913 1.00 27.88 O HETATM 1549 O HOH 38 -15.822 4.395 17.110 1.00 32.22 O HETATM 1550 O HOH 39 10.683 -3.424 28.723 1.00 35.67 O HETATM 1551 O HOH 40 -21.396 14.879 12.248 1.00 19.48 O HETATM 1552 O HOH 41 -16.308 3.384 8.345 1.00 40.06 O HETATM 1553 O HOH 42 -14.369 0.934 15.592 1.00 43.03 O HETATM 1554 O HOH 43 -4.001 26.475 15.473 1.00 15.40 O HETATM 1555 O HOH 44 3.492 9.615 4.816 1.00 28.30 O HETATM 1556 O HOH 45 -9.703 19.961 11.728 1.00 37.74 O HETATM 1557 O HOH 46 4.016 -3.092 19.073 1.00 20.82 O HETATM 1558 O HOH 47 -15.617 18.869 7.862 1.00 44.84 O HETATM 1559 O HOH 48 -3.771 -3.633 24.217 1.00 24.55 O HETATM 1560 O HOH 49 8.504 13.695 24.543 1.00 21.99 O HETATM 1561 O HOH 50 -6.643 -6.231 23.731 1.00 29.94 O HETATM 1562 O HOH 51 -18.375 10.169 5.658 1.00 33.72 O HETATM 1563 O HOH 52 8.726 22.283 12.525 1.00 24.02 O HETATM 1564 O HOH 53 0.349 23.322 19.876 1.00 15.69 O HETATM 1565 O HOH 54 10.020 -2.562 11.772 1.00 49.89 O HETATM 1566 O HOH 55 -3.002 17.349 8.904 1.00 16.89 O HETATM 1567 O HOH 56 2.727 4.072 10.034 1.00 29.80 O HETATM 1568 O HOH 57 2.955 20.554 3.925 1.00 47.18 O HETATM 1569 O HOH 58 1.205 14.985 30.315 1.00 28.71 O HETATM 1570 O HOH 59 -1.930 25.626 17.130 1.00 15.00 O HETATM 1571 O HOH 60 -15.578 11.186 31.386 1.00 36.25 O HETATM 1572 O HOH 61 7.441 4.727 27.983 1.00 25.47 O HETATM 1573 O HOH 62 -11.101 13.692 4.950 1.00 17.45 O HETATM 1574 O HOH 63 -17.170 12.117 11.472 1.00 13.38 O HETATM 1575 O HOH 64 -5.511 17.246 0.558 1.00 30.90 O HETATM 1576 O HOH 65 -7.133 -0.658 14.163 1.00 22.02 O HETATM 1577 O HOH 66 -1.571 26.950 21.221 1.00 27.24 O HETATM 1578 O HOH 67 4.152 -2.962 16.292 1.00 40.84 O HETATM 1579 O HOH 68 8.437 -3.498 3.774 1.00 47.27 O HETATM 1580 O HOH 69 14.210 -4.047 19.105 1.00 27.72 O HETATM 1581 O HOH 70 20.413 4.538 20.580 1.00 42.86 O HETATM 1582 O HOH 71 5.627 16.049 7.815 1.00 16.28 O HETATM 1583 O HOH 72 6.326 14.774 25.887 1.00 20.60 O HETATM 1584 O HOH 73 -3.579 17.524 11.552 1.00 19.63 O HETATM 1585 O HOH 74 7.363 21.105 23.971 1.00 30.50 O HETATM 1586 O HOH 75 0.960 18.985 24.668 1.00 19.02 O HETATM 1587 O HOH 76 -18.353 21.291 25.003 1.00 38.72 O HETATM 1588 O HOH 77 -11.540 16.146 2.521 1.00 22.94 O HETATM 1589 O HOH 78 -9.383 19.685 9.040 1.00 29.11 O HETATM 1590 O HOH 79 12.115 18.366 19.063 1.00 23.66 O HETATM 1591 O HOH 80 -22.200 6.786 11.876 1.00 45.54 O HETATM 1592 O HOH 81 5.725 17.583 24.817 1.00 33.53 O HETATM 1593 O HOH 82 -3.855 -4.477 11.287 1.00 37.76 O HETATM 1594 O HOH 83 5.567 32.608 16.942 1.00 41.18 O HETATM 1595 O HOH 84 -23.684 11.729 10.557 1.00 33.85 O HETATM 1596 O HOH 85 7.511 26.406 21.000 1.00 38.95 O HETATM 1597 O HOH 86 -13.635 0.557 18.955 1.00 42.22 O HETATM 1598 O HOH 87 -11.194 7.070 5.892 1.00 26.18 O HETATM 1599 O HOH 88 8.323 0.354 29.364 1.00 24.85 O HETATM 1600 O HOH 89 6.794 18.616 4.658 1.00 32.33 O HETATM 1601 O HOH 90 9.258 -2.017 14.246 1.00 36.34 O HETATM 1602 O HOH 91 10.868 15.075 24.132 1.00 20.97 O HETATM 1603 O HOH 92 7.868 -5.933 18.547 1.00 37.98 O HETATM 1604 O HOH 93 4.752 2.923 8.491 1.00 43.17 O HETATM 1605 O HOH 94 -7.979 24.142 29.990 1.00 28.42 O HETATM 1606 O HOH 95 13.026 6.917 30.497 1.00 36.10 O HETATM 1607 O HOH 96 16.015 3.149 26.716 1.00 37.27 O HETATM 1608 O HOH 97 -17.333 7.628 21.078 1.00 26.81 O HETATM 1609 O HOH 98 -3.738 5.217 11.343 1.00 17.34 O HETATM 1610 O HOH 99 -19.888 4.953 11.763 1.00 30.82 O HETATM 1611 O HOH 100 3.156 -8.700 16.582 1.00 35.82 O HETATM 1612 O HOH 101 4.247 8.882 29.341 1.00 25.94 O HETATM 1613 O HOH 102 0.999 14.398 2.167 1.00 30.94 O HETATM 1614 O HOH 103 -3.998 25.509 28.591 1.00 35.89 O HETATM 1615 O HOH 104 -14.021 18.603 9.877 1.00 18.20 O HETATM 1616 O HOH 105 -1.855 24.585 20.452 1.00 24.43 O HETATM 1617 O HOH 106 5.581 5.882 32.021 1.00 40.59 O HETATM 1618 O HOH 107 -21.343 6.845 8.007 1.00 43.65 O HETATM 1619 O HOH 108 18.728 17.387 20.255 1.00 33.06 O HETATM 1620 O HOH 109 -6.850 11.161 28.105 1.00 18.07 O HETATM 1621 O HOH 110 -13.894 17.727 30.757 1.00 38.34 O HETATM 1622 O HOH 111 -21.408 12.425 18.327 1.00 44.95 O HETATM 1623 O HOH 112 -11.180 -0.818 18.265 1.00 25.07 O HETATM 1624 O HOH 113 5.740 27.945 19.526 1.00 25.57 O HETATM 1625 O HOH 114 6.152 -2.638 30.546 1.00 28.34 O HETATM 1626 O HOH 115 2.104 20.932 26.258 1.00 26.06 O HETATM 1627 O HOH 116 15.228 -2.760 25.649 1.00 40.90 O HETATM 1628 O HOH 117 -18.580 13.762 21.041 1.00 27.58 O HETATM 1629 O HOH 118 14.845 0.473 27.259 1.00 34.36 O HETATM 1630 O HOH 119 -21.515 14.075 5.928 1.00 39.61 O HETATM 1631 O HOH 120 4.336 30.770 11.828 1.00 44.50 O HETATM 1632 O HOH 121 13.141 19.776 14.538 1.00 29.09 O HETATM 1633 O HOH 122 -10.434 0.012 10.997 1.00 42.65 O HETATM 1634 O HOH 123 -1.745 29.184 15.528 1.00 35.59 O HETATM 1635 O HOH 124 -5.308 6.554 30.446 1.00 36.95 O HETATM 1636 O HOH 125 4.422 -6.943 25.600 1.00 32.12 O HETATM 1637 O HOH 126 -18.978 5.466 27.520 1.00 41.30 O HETATM 1638 O HOH 127 11.903 11.508 7.100 1.00 33.55 O HETATM 1639 O HOH 128 3.280 14.080 0.257 1.00 35.53 O HETATM 1640 O HOH 129 -9.141 15.903 11.763 1.00 32.19 O HETATM 1641 O HOH 130 13.707 11.571 26.242 1.00 36.00 O HETATM 1642 O HOH 131 18.468 13.602 14.179 1.00 19.51 O HETATM 1643 O HOH 132 4.839 -6.022 16.775 1.00 46.96 O HETATM 1644 O HOH 133 -13.049 6.621 35.080 1.00 46.38 O HETATM 1645 O HOH 134 9.363 20.888 10.299 1.00 30.36 O HETATM 1646 O HOH 135 -10.742 -1.447 16.054 1.00 37.25 O HETATM 1647 O HOH 136 15.251 8.239 26.960 1.00 45.54 O HETATM 1648 O HOH 137 -9.456 5.839 8.012 1.00 24.92 O HETATM 1649 O HOH 138 -12.476 -2.115 27.629 1.00 38.24 O HETATM 1650 O HOH 139 7.573 2.864 29.888 1.00 28.69 O HETATM 1651 O HOH 140 -3.199 19.120 1.468 1.00 46.72 O HETATM 1652 O HOH 141 -11.137 24.354 28.626 1.00 38.01 O HETATM 1653 O HOH 142 -5.923 9.904 30.715 1.00 29.67 O HETATM 1654 O HOH 143 -21.909 16.299 9.536 1.00 19.79 O HETATM 1655 O HOH 144 -5.453 20.413 10.313 1.00 29.55 O HETATM 1656 O HOH 145 10.134 13.736 5.645 1.00 34.96 O HETATM 1657 O HOH 146 17.131 9.425 25.666 1.00 34.37 O HETATM 1658 O HOH 147 10.451 9.322 5.971 1.00 38.12 O HETATM 1659 O HOH 148 -4.392 -3.816 26.731 1.00 38.05 O HETATM 1660 O HOH 149 7.643 15.337 28.219 1.00 31.60 O HETATM 1661 O HOH 150 10.537 -5.832 17.236 1.00 45.41 O HETATM 1662 O HOH 151 3.724 13.737 30.486 1.00 25.09 O HETATM 1663 O HOH 152 19.005 13.586 17.595 1.00 47.54 O HETATM 1664 O HOH 153 5.411 19.561 6.715 1.00 52.40 O HETATM 1665 O HOH 154 6.151 15.418 30.712 1.00 42.05 O HETATM 1666 O HOH 155 -14.862 19.931 29.263 1.00 40.79 O HETATM 1667 O HOH 156 0.565 19.274 4.513 1.00 25.35 O HETATM 1668 O HOH 157 13.424 22.664 18.816 1.00 30.13 O HETATM 1669 O HOH 158 -10.374 8.511 -2.180 1.00 48.67 O HETATM 1670 O HOH 159 -3.831 12.118 30.100 1.00 29.52 O HETATM 1671 O HOH 160 -20.371 2.711 11.573 1.00 43.73 O HETATM 1672 O HOH 161 -17.340 7.705 4.649 1.00 38.46 O HETATM 1673 O HOH 162 4.925 21.459 26.119 1.00 43.02 O HETATM 1674 O HOH 163 -20.880 9.567 6.911 1.00 34.38 O HETATM 1675 O HOH 164 -23.365 12.771 12.573 1.00 28.00 O HETATM 1676 O HOH 165 -24.086 9.542 34.485 1.00 41.07 O HETATM 1677 O HOH 166 11.061 23.347 18.252 1.00 39.95 O HETATM 1678 O HOH 167 12.999 14.150 25.304 1.00 36.56 O HETATM 1679 O HOH 168 10.479 13.921 28.349 1.00 38.37 O HETATM 1680 O HOH 169 -22.358 5.445 33.806 1.00 49.47 O HETATM 1681 O HOH 170 9.801 16.168 6.470 1.00 27.77 O HETATM 1682 O HOH 171 7.642 20.542 7.893 1.00 43.88 O HETATM 1683 O HOH 172 13.087 20.282 17.111 1.00 22.95 O HETATM 1684 O HOH 173 12.889 23.703 22.992 1.00 42.53 O HETATM 1685 O HOH 174 -0.497 18.408 2.204 1.00 41.51 O HETATM 1686 O HOH 175 -22.627 12.075 34.993 1.00 46.55 O HETATM 1687 O HOH 176 -24.974 7.181 14.790 1.00 37.26 O HETATM 1688 O HOH 177 -0.294 13.982 32.608 1.00 49.56 O HETATM 1689 O HOH 178 -6.289 15.408 32.522 1.00 45.06 O HETATM 1690 O HOH 179 -10.596 5.912 -1.279 1.00 40.37 O HETATM 1691 O HOH 180 3.523 29.877 9.198 1.00 33.78 O HETATM 1692 O HOH 181 -3.491 19.921 8.386 1.00 21.85 O HETATM 1693 O HOH 182 11.391 14.435 3.554 1.00 34.92 O HETATM 1694 O HOH 183 -2.319 12.955 32.572 1.00 36.68 O HETATM 1695 O HOH 184 10.601 -0.889 29.169 1.00 26.50 O HETATM 1696 O HOH 185 -19.305 12.630 4.269 1.00 45.41 O HETATM 1697 O HOH 186 -1.163 21.143 7.421 1.00 22.29 O HETATM 1698 O HOH 187 3.605 11.490 32.458 1.00 44.21 O HETATM 1699 O HOH 188 1.123 9.096 3.592 1.00 38.40 O HETATM 1700 O HOH 189 -1.242 21.242 4.696 1.00 27.98 O HETATM 1701 O HOH 190 -25.490 9.311 13.589 1.00 32.91 O HETATM 1702 C12 UNN A 191 -7.122 3.491 17.007 1.00 -0.05 C HETATM 1703 C13 UNN A 191 -7.766 3.793 15.799 1.00 -0.04 C HETATM 1704 C14 UNN A 191 -8.605 2.870 15.173 1.00 0.11 C HETATM 1705 S17 UNN A 191 -9.315 3.211 13.756 1.00 0.07 S HETATM 1706 N18 UNN A 191 -8.136 3.633 12.721 1.00 -0.23 N HETATM 1707 C21 UNN A 191 -7.132 2.581 12.410 1.00 0.09 C HETATM 1708 C1 UNN A 191 -5.907 2.675 13.298 1.00 0.06 C HETATM 1709 O2 UNN A 191 -5.427 1.621 13.791 1.00 -0.57 O HETATM 1710 O1 UNN A 191 -5.395 3.793 13.500 1.00 -0.57 O HETATM 1711 C22 UNN A 191 -6.681 2.725 10.949 1.00 -0.02 C HETATM 1712 C17 UNN A 191 -5.570 1.725 10.647 1.00 -0.06 C HETATM 1713 H10 UNN A 191 -5.253 1.835 9.599 1.00 0.02 H HETATM 1714 H11 UNN A 191 -5.942 0.703 10.813 1.00 0.02 H HETATM 1715 H12 UNN A 191 -4.714 1.916 11.311 1.00 0.02 H HETATM 1716 C9 UNN A 191 -7.791 2.493 9.927 1.00 -0.06 C HETATM 1717 H13 UNN A 191 -8.614 3.199 10.113 1.00 0.02 H HETATM 1718 H14 UNN A 191 -8.164 1.462 10.018 1.00 0.02 H HETATM 1719 H15 UNN A 191 -7.395 2.651 8.913 1.00 0.02 H HETATM 1720 H9 UNN A 191 -6.295 3.746 10.815 1.00 0.03 H HETATM 1721 H8 UNN A 191 -7.600 1.596 12.553 1.00 0.07 H HETATM 1722 H16 UNN A 191 -8.088 4.546 12.317 1.00 0.17 H HETATM 1723 O19 UNN A 191 -10.049 2.049 13.301 1.00 -0.15 O HETATM 1724 O20 UNN A 191 -10.199 4.345 13.885 1.00 -0.15 O HETATM 1725 C15 UNN A 191 -8.790 1.632 15.796 1.00 -0.04 C HETATM 1726 C16 UNN A 191 -8.163 1.335 17.005 1.00 -0.05 C HETATM 1727 C11 UNN A 191 -7.313 2.261 17.629 1.00 -0.02 C HETATM 1728 C2 UNN A 191 -6.617 1.920 18.914 1.00 -0.02 C HETATM 1729 C7 UNN A 191 -6.202 0.597 19.130 1.00 -0.06 C HETATM 1730 C6 UNN A 191 -5.542 0.235 20.296 1.00 -0.06 C HETATM 1731 C5 UNN A 191 -5.264 1.193 21.260 1.00 -0.03 C HETATM 1732 C8 UNN A 191 -4.559 0.774 22.521 1.00 0.05 C HETATM 1733 S10 UNN A 191 -5.716 0.610 23.848 1.00 -0.01 S HETATM 1734 C28 UNN A 191 -4.810 0.127 25.214 1.00 0.21 C HETATM 1735 N31 UNN A 191 -3.499 -0.195 25.056 1.00 -0.29 N HETATM 1736 C34 UNN A 191 -2.764 -0.573 26.125 1.00 -0.01 C HETATM 1737 C37 UNN A 191 -1.310 -0.966 26.184 1.00 -0.01 C HETATM 1738 C36 UNN A 191 -1.050 -1.146 27.688 1.00 -0.04 C HETATM 1739 C35 UNN A 191 -2.370 -1.047 28.479 1.00 -0.03 C HETATM 1740 C33 UNN A 191 -3.362 -0.621 27.441 1.00 0.01 C HETATM 1741 C32 UNN A 191 -4.783 -0.262 27.573 1.00 0.20 C HETATM 1742 N29 UNN A 191 -5.421 0.087 26.430 1.00 -0.19 N HETATM 1743 H26 UNN A 191 -6.390 0.328 26.482 1.00 0.26 H HETATM 1744 O38 UNN A 191 -5.373 -0.276 28.676 1.00 -0.42 O HETATM 1745 H24 UNN A 191 -2.293 -0.299 29.282 1.00 0.03 H HETATM 1746 H25 UNN A 191 -2.645 -2.021 28.911 1.00 0.03 H HETATM 1747 H22 UNN A 191 -0.361 -0.361 28.033 1.00 0.03 H HETATM 1748 H23 UNN A 191 -0.597 -2.133 27.862 1.00 0.03 H HETATM 1749 H20 UNN A 191 -0.671 -0.174 25.766 1.00 0.04 H HETATM 1750 H21 UNN A 191 -1.134 -1.905 25.639 1.00 0.04 H HETATM 1751 H3 UNN A 191 -3.808 1.533 22.786 1.00 0.06 H HETATM 1752 H4 UNN A 191 -4.060 -0.192 22.354 1.00 0.06 H HETATM 1753 C4 UNN A 191 -5.656 2.514 21.065 1.00 -0.06 C HETATM 1754 C3 UNN A 191 -6.328 2.873 19.891 1.00 -0.06 C HETATM 1755 H19 UNN A 191 -6.628 3.904 19.739 1.00 0.06 H HETATM 1756 H7 UNN A 191 -5.442 3.262 21.820 1.00 0.06 H HETATM 1757 H6 UNN A 191 -5.244 -0.795 20.453 1.00 0.06 H HETATM 1758 H5 UNN A 191 -6.400 -0.154 18.374 1.00 0.06 H HETATM 1759 H18 UNN A 191 -8.335 0.372 17.471 1.00 0.06 H HETATM 1760 H17 UNN A 191 -9.431 0.891 15.332 1.00 0.06 H HETATM 1761 H2 UNN A 191 -7.609 4.763 15.342 1.00 0.06 H HETATM 1762 H1 UNN A 191 -6.467 4.225 17.462 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 241 239 1515 CONECT 571 570 1516 CONECT 670 668 669 1513 CONECT 684 682 1513 CONECT 737 736 1514 CONECT 743 742 1514 CONECT 755 754 1514 CONECT 768 767 1514 CONECT 798 796 797 1513 CONECT 847 846 1516 CONECT 872 871 1516 CONECT 885 884 1516 CONECT 900 899 902 1513 CONECT 929 928 1515 CONECT 932 931 1515 CONECT 947 946 1515 CONECT 1114 1112 1113 1512 CONECT 1152 1150 1151 1512 CONECT 1203 1201 1202 1512 CONECT 1351 1352 1362 1363 1364 CONECT 1362 1351 CONECT 1363 1351 CONECT 1364 1351 CONECT 1512 1114 1152 1203 CONECT 1513 670 684 798 900 CONECT 1514 737 743 755 768 CONECT 1515 241 929 932 947 CONECT 1516 571 847 872 885 CONECT 1702 1703 1727 1762 CONECT 1703 1702 1704 1761 CONECT 1704 1703 1705 1725 CONECT 1705 1704 1706 1723 1724 CONECT 1706 1705 1707 1722 CONECT 1707 1706 1708 1711 1721 CONECT 1708 1707 1709 1710 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1707 1712 1716 1720 CONECT 1712 1711 1713 1714 1715 CONECT 1713 1712 CONECT 1714 1712 CONECT 1715 1712 CONECT 1716 1711 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 CONECT 1720 1711 CONECT 1721 1707 CONECT 1722 1706 CONECT 1723 1705 CONECT 1724 1705 CONECT 1725 1704 1726 1760 CONECT 1726 1725 1727 1759 CONECT 1727 1702 1726 1728 CONECT 1728 1727 1729 1754 CONECT 1729 1728 1730 1758 CONECT 1730 1729 1731 1757 CONECT 1731 1730 1732 1753 CONECT 1732 1731 1733 1751 1752 CONECT 1733 1732 1734 CONECT 1734 1733 1735 1742 CONECT 1735 1734 1736 CONECT 1736 1735 1737 1740 CONECT 1737 1736 1738 1749 1750 CONECT 1738 1737 1739 1747 1748 CONECT 1739 1738 1740 1745 1746 CONECT 1740 1736 1739 1741 CONECT 1741 1740 1742 1744 CONECT 1742 1734 1741 1743 CONECT 1743 1742 CONECT 1744 1741 CONECT 1745 1739 CONECT 1746 1739 CONECT 1747 1738 CONECT 1748 1738 CONECT 1749 1737 CONECT 1750 1737 CONECT 1751 1732 CONECT 1752 1732 CONECT 1753 1731 1754 1756 CONECT 1754 1728 1753 1755 CONECT 1755 1754 CONECT 1756 1753 CONECT 1757 1730 CONECT 1758 1729 CONECT 1759 1726 CONECT 1760 1725 CONECT 1761 1703 CONECT 1762 1702 MASTER 0 0 0 0 0 0 0 0 1760 2 93 13 END
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Related entries of code: 5uwk
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1ztq
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PDBbind
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3wv1
RCSB PDB
PDBbind
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3wv2
RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
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5b5p
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PDBbind
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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
5uwk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix Metalloproteinase 13
Ligand Name
8OM
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=2.3nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5816-5825
Ligand Properties
Formula
C
2
5
H
2
7
N
3
O
5
S
2
Molecular Weight
513.629
Exact Mass
513.139
No. of atoms
62
No. of bonds
65
Polar Surface Area
162.9
LOGP Value
4.82 (
Computed with XLOGP3
)
5.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CSc1nc2CCCc2c(=O)[nH]1)C
InChI String
InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/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):
P45452
Entrez Gene ID
NCBI Entrez Gene ID:
4322
ASD
Information of known allosteric effects of PDB entries
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