Browse entries in the PDBbind-CN Database
HEADER 5L7F_COMPLEX COMPND 5L7F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 GLY PRO VAL TRP ARG LYS HIS TYR ILE THR TYR ARG ILE SEQRES 2 A 158 ASN ASN TYR THR PRO ASP MET ASN ARG GLU ASP VAL ASP SEQRES 3 A 158 TYR ALA ILE ARG LYS ALA PHE GLN VAL TRP SER ASN VAL SEQRES 4 A 158 THR PRO LEU LYS PHE SER LYS ILE ASN THR GLY MET ALA SEQRES 5 A 158 ASP ILE LEU VAL VAL PHE ALA ARG GLY ALA HIS GLY ASP SEQRES 6 A 158 ASP HIS ALA PHE ASP GLY LYS GLY GLY ILE LEU ALA HIS SEQRES 7 A 158 ALA PHE GLY PRO GLY SER GLY ILE GLY GLY ASP ALA HIS SEQRES 8 A 158 PHE ASP GLU ASP GLU PHE TRP THR THR HIS SER GLY GLY SEQRES 9 A 158 THR ASN LEU PHE LEU THR ALA VAL HIS GLU ILE GLY HIS SEQRES 10 A 158 SER LEU GLY LEU GLY HIS SER SER ASP PRO LYS ALA VAL SEQRES 11 A 158 MET PHE PRO THR TYR ALA TYR VAL ASP ILE ASN THR PHE SEQRES 12 A 158 ARG LEU SER ALA ASP ASP ILE ARG GLY ILE GLN SER LEU SEQRES 13 A 158 TYR 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 336 216 ATOM 1 N GLY A 106 -16.020 5.378 38.125 1.00 45.47 N ATOM 2 CA GLY A 106 -15.609 6.610 37.379 1.00 42.70 C ATOM 3 C GLY A 106 -16.469 6.832 36.140 1.00 37.33 C ATOM 4 O GLY A 106 -17.146 5.910 35.683 1.00 36.59 O ATOM 5 HN3 GLY A 106 -15.921 4.549 37.504 1.00 0.00 H ATOM 6 HN2 GLY A 106 -17.011 5.471 38.426 1.00 0.00 H ATOM 7 HN1 GLY A 106 -15.412 5.261 38.961 1.00 0.00 H ATOM 8 N PRO A 107 -16.379 8.033 35.547 1.00 31.90 N ATOM 9 CA PRO A 107 -17.214 8.372 34.445 1.00 28.86 C ATOM 10 C PRO A 107 -16.919 7.582 33.164 1.00 25.88 C ATOM 11 O PRO A 107 -15.739 7.320 32.841 1.00 21.97 O ATOM 12 CB PRO A 107 -16.923 9.863 34.214 1.00 29.74 C ATOM 13 CG PRO A 107 -15.579 10.094 34.788 1.00 33.14 C ATOM 14 CD PRO A 107 -15.427 9.105 35.897 1.00 32.28 C ATOM 15 N VAL A 108 -17.982 7.262 32.424 1.00 21.94 N ATOM 16 CA VAL A 108 -17.882 6.772 31.037 1.00 20.05 C ATOM 17 C VAL A 108 -18.828 7.610 30.161 1.00 17.43 C ATOM 18 O VAL A 108 -19.864 8.101 30.662 1.00 22.54 O ATOM 19 CB VAL A 108 -18.228 5.264 30.882 1.00 24.26 C ATOM 20 CG1 VAL A 108 -17.281 4.417 31.714 1.00 25.30 C ATOM 21 CG2 VAL A 108 -19.682 4.974 31.271 1.00 27.25 C ATOM 22 H VAL A 108 -18.927 7.363 32.846 1.00 0.00 H ATOM 23 N TRP A 109 -18.472 7.749 28.874 1.00 17.88 N ATOM 24 CA TRP A 109 -19.344 8.310 27.927 1.00 18.90 C ATOM 25 C TRP A 109 -20.611 7.450 27.892 1.00 23.96 C ATOM 26 O TRP A 109 -20.507 6.233 27.861 1.00 22.47 O ATOM 27 CB TRP A 109 -18.673 8.361 26.521 1.00 18.70 C ATOM 28 CG TRP A 109 -17.507 9.272 26.497 1.00 15.22 C ATOM 29 CD1 TRP A 109 -16.198 8.897 26.554 1.00 18.60 C ATOM 30 CD2 TRP A 109 -17.491 10.725 26.452 1.00 14.62 C ATOM 31 NE1 TRP A 109 -15.357 9.998 26.475 1.00 16.22 N ATOM 32 CE2 TRP A 109 -16.125 11.131 26.449 1.00 16.38 C ATOM 33 CE3 TRP A 109 -18.481 11.712 26.372 1.00 18.57 C ATOM 34 CZ2 TRP A 109 -15.745 12.465 26.446 1.00 16.14 C ATOM 35 CZ3 TRP A 109 -18.099 13.057 26.344 1.00 16.51 C ATOM 36 CH2 TRP A 109 -16.726 13.415 26.328 1.00 15.91 C ATOM 37 HE1 TRP A 109 -14.318 9.968 26.441 1.00 0.00 H ATOM 38 H TRP A 109 -17.528 7.434 28.571 1.00 0.00 H ATOM 39 N ARG A 110 -21.772 8.101 27.866 1.00 25.19 N ATOM 40 CA ARG A 110 -23.068 7.434 27.771 1.00 27.10 C ATOM 41 C ARG A 110 -23.568 7.300 26.339 1.00 25.67 C ATOM 42 O ARG A 110 -24.743 7.032 26.114 1.00 28.08 O ATOM 43 CB ARG A 110 -24.095 8.190 28.585 1.00 26.69 C ATOM 44 CG ARG A 110 -23.752 8.259 30.057 1.00 28.83 C ATOM 45 CD ARG A 110 -23.317 6.898 30.585 1.00 31.93 C ATOM 46 NE ARG A 110 -22.654 7.000 31.876 1.00 33.54 N ATOM 47 CZ ARG A 110 -22.669 6.048 32.806 1.00 36.82 C ATOM 48 NH1 ARG A 110 -22.037 6.243 33.958 1.00 38.40 N ATOM 49 NH2 ARG A 110 -23.314 4.902 32.587 1.00 37.52 N ATOM 50 HE ARG A 110 -22.133 7.875 32.086 1.00 0.00 H ATOM 51 HH12 ARG A 110 -22.046 5.502 34.688 1.00 0.00 H ATOM 52 HH11 ARG A 110 -21.533 7.137 34.130 1.00 0.00 H ATOM 53 HH22 ARG A 110 -23.322 4.162 33.318 1.00 0.00 H ATOM 54 HH21 ARG A 110 -23.809 4.748 31.685 1.00 0.00 H ATOM 55 H ARG A 110 -21.755 9.140 27.916 1.00 0.00 H ATOM 56 N LYS A 111 -22.685 7.480 25.374 1.00 24.59 N ATOM 57 CA LYS A 111 -23.002 7.203 23.983 1.00 25.24 C ATOM 58 C LYS A 111 -21.830 6.493 23.355 1.00 24.84 C ATOM 59 O LYS A 111 -20.748 6.522 23.905 1.00 25.53 O ATOM 60 CB LYS A 111 -23.299 8.508 23.255 1.00 27.26 C ATOM 61 CG LYS A 111 -22.224 9.563 23.474 1.00 29.16 C ATOM 62 CD LYS A 111 -22.622 10.909 22.888 1.00 31.06 C ATOM 63 CE LYS A 111 -21.533 11.929 23.125 1.00 31.08 C ATOM 64 NZ LYS A 111 -21.813 13.253 22.519 1.00 31.80 N ATOM 65 HZ1 LYS A 111 -21.919 13.146 21.490 1.00 0.00 H ATOM 66 HZ2 LYS A 111 -22.691 13.638 22.921 1.00 0.00 H ATOM 67 HZ3 LYS A 111 -21.024 13.900 22.722 1.00 0.00 H ATOM 68 H LYS A 111 -21.736 7.830 25.616 1.00 0.00 H ATOM 69 N HIS A 112 -22.056 5.824 22.229 1.00 25.81 N ATOM 70 CA HIS A 112 -20.955 5.091 21.514 1.00 27.47 C ATOM 71 C HIS A 112 -20.420 5.825 20.320 1.00 23.91 C ATOM 72 O HIS A 112 -19.389 5.431 19.766 1.00 26.36 O ATOM 73 CB HIS A 112 -21.398 3.673 21.137 1.00 29.96 C ATOM 74 CG HIS A 112 -21.511 2.745 22.307 1.00 33.72 C ATOM 75 ND1 HIS A 112 -21.949 1.442 22.183 1.00 36.58 N ATOM 76 CD2 HIS A 112 -21.273 2.938 23.625 1.00 36.16 C ATOM 77 CE1 HIS A 112 -21.932 0.860 23.364 1.00 37.06 C ATOM 78 NE2 HIS A 112 -21.534 1.748 24.262 1.00 36.21 N ATOM 79 H HIS A 112 -23.017 5.807 21.833 1.00 0.00 H ATOM 80 N TYR A 113 -21.124 6.881 19.930 1.00 18.81 N ATOM 81 CA TYR A 113 -20.719 7.722 18.815 1.00 20.04 C ATOM 82 C TYR A 113 -20.076 9.004 19.382 1.00 19.49 C ATOM 83 O TYR A 113 -20.748 9.849 19.955 1.00 18.19 O ATOM 84 CB TYR A 113 -21.919 8.072 17.923 1.00 22.29 C ATOM 85 CG TYR A 113 -21.516 8.738 16.602 1.00 24.61 C ATOM 86 CD1 TYR A 113 -21.308 10.093 16.508 1.00 27.86 C ATOM 87 CD2 TYR A 113 -21.380 7.986 15.449 1.00 27.50 C ATOM 88 CE1 TYR A 113 -20.964 10.669 15.276 1.00 30.83 C ATOM 89 CE2 TYR A 113 -21.044 8.550 14.237 1.00 26.78 C ATOM 90 CZ TYR A 113 -20.829 9.873 14.156 1.00 28.24 C ATOM 91 OH TYR A 113 -20.474 10.366 12.949 1.00 27.00 O ATOM 92 HH TYR A 113 -21.188 10.172 12.292 1.00 0.00 H ATOM 93 H TYR A 113 -21.999 7.116 20.442 1.00 0.00 H ATOM 94 N ILE A 114 -18.745 9.102 19.264 1.00 16.13 N ATOM 95 CA ILE A 114 -17.999 10.168 19.965 1.00 15.43 C ATOM 96 C ILE A 114 -17.170 10.960 18.949 1.00 11.56 C ATOM 97 O ILE A 114 -16.469 10.370 18.116 1.00 15.04 O ATOM 98 CB ILE A 114 -17.058 9.583 21.037 1.00 15.72 C ATOM 99 CG1 ILE A 114 -17.854 8.772 22.080 1.00 16.65 C ATOM 100 CG2 ILE A 114 -16.169 10.675 21.671 1.00 16.55 C ATOM 101 CD1 ILE A 114 -16.973 7.899 22.945 1.00 18.38 C ATOM 102 H ILE A 114 -18.230 8.419 18.672 1.00 0.00 H ATOM 103 N THR A 115 -17.293 12.288 19.016 1.00 11.59 N ATOM 104 CA THR A 115 -16.659 13.158 18.060 1.00 13.69 C ATOM 105 C THR A 115 -15.407 13.807 18.681 1.00 15.13 C ATOM 106 O THR A 115 -15.323 13.979 19.897 1.00 14.28 O ATOM 107 CB THR A 115 -17.568 14.274 17.546 1.00 14.73 C ATOM 108 OG1 THR A 115 -17.986 15.066 18.631 1.00 16.71 O ATOM 109 CG2 THR A 115 -18.799 13.690 16.800 1.00 17.78 C ATOM 110 HG1 THR A 115 -18.575 15.790 18.302 1.00 0.00 H ATOM 111 H THR A 115 -17.862 12.705 19.780 1.00 0.00 H ATOM 112 N TYR A 116 -14.436 14.135 17.812 1.00 12.28 N ATOM 113 CA TYR A 116 -13.315 14.877 18.226 1.00 12.86 C ATOM 114 C TYR A 116 -12.970 16.004 17.268 1.00 13.76 C ATOM 115 O TYR A 116 -13.352 15.953 16.043 1.00 14.82 O ATOM 116 CB TYR A 116 -12.120 13.958 18.384 1.00 14.06 C ATOM 117 CG TYR A 116 -11.557 13.425 17.155 1.00 13.80 C ATOM 118 CD1 TYR A 116 -12.047 12.245 16.586 1.00 15.30 C ATOM 119 CD2 TYR A 116 -10.473 14.015 16.551 1.00 13.96 C ATOM 120 CE1 TYR A 116 -11.443 11.671 15.463 1.00 13.48 C ATOM 121 CE2 TYR A 116 -9.904 13.478 15.401 1.00 13.04 C ATOM 122 CZ TYR A 116 -10.369 12.306 14.883 1.00 16.03 C ATOM 123 OH TYR A 116 -9.759 11.780 13.752 1.00 16.44 O ATOM 124 HH TYR A 116 -10.207 10.934 13.501 1.00 0.00 H ATOM 125 H TYR A 116 -14.514 13.836 16.819 1.00 0.00 H ATOM 126 N ARG A 117 -12.292 17.022 17.775 1.00 13.41 N ATOM 127 CA ARG A 117 -11.823 18.124 16.927 1.00 13.88 C ATOM 128 C ARG A 117 -10.424 18.536 17.308 1.00 12.95 C ATOM 129 O ARG A 117 -10.107 18.736 18.486 1.00 12.76 O ATOM 130 CB ARG A 117 -12.791 19.337 16.988 1.00 15.14 C ATOM 131 CG ARG A 117 -12.275 20.563 16.179 1.00 15.31 C ATOM 132 CD ARG A 117 -13.321 21.610 15.866 1.00 17.52 C ATOM 133 NE ARG A 117 -13.983 22.088 17.068 1.00 18.06 N ATOM 134 CZ ARG A 117 -13.436 22.956 17.922 1.00 22.77 C ATOM 135 NH1 ARG A 117 -12.206 23.471 17.708 1.00 24.49 N ATOM 136 NH2 ARG A 117 -14.113 23.324 18.996 1.00 25.50 N ATOM 137 HE ARG A 117 -14.938 21.733 17.275 1.00 0.00 H ATOM 138 HH12 ARG A 117 -11.799 24.146 18.387 1.00 0.00 H ATOM 139 HH11 ARG A 117 -11.665 23.193 16.864 1.00 0.00 H ATOM 140 HH22 ARG A 117 -13.696 24.000 19.667 1.00 0.00 H ATOM 141 HH21 ARG A 117 -15.063 22.938 19.170 1.00 0.00 H ATOM 142 H ARG A 117 -12.088 17.041 18.795 1.00 0.00 H ATOM 143 N ILE A 118 -9.570 18.690 16.317 1.00 13.68 N ATOM 144 CA ILE A 118 -8.196 19.161 16.563 1.00 13.24 C ATOM 145 C ILE A 118 -8.261 20.666 16.601 1.00 14.63 C ATOM 146 O ILE A 118 -8.415 21.303 15.559 1.00 14.72 O ATOM 147 CB ILE A 118 -7.218 18.616 15.541 1.00 13.44 C ATOM 148 CG1 ILE A 118 -7.181 17.106 15.567 1.00 12.86 C ATOM 149 CG2 ILE A 118 -5.856 19.204 15.794 1.00 15.92 C ATOM 150 CD1 ILE A 118 -6.302 16.452 14.482 1.00 13.50 C ATOM 151 H ILE A 118 -9.871 18.476 15.345 1.00 0.00 H ATOM 152 N ASN A 119 -8.208 21.247 17.813 1.00 13.01 N ATOM 153 CA ASN A 119 -8.335 22.665 18.004 1.00 13.81 C ATOM 154 C ASN A 119 -7.240 23.449 17.313 1.00 16.51 C ATOM 155 O ASN A 119 -7.503 24.498 16.699 1.00 18.24 O ATOM 156 CB ASN A 119 -8.343 23.011 19.456 1.00 16.72 C ATOM 157 CG ASN A 119 -8.298 24.504 19.738 1.00 26.22 C ATOM 158 OD1 ASN A 119 -9.346 25.160 19.708 1.00 36.20 O ATOM 159 ND2 ASN A 119 -7.086 25.045 20.079 1.00 26.79 N ATOM 160 HD22 ASN A 119 -6.234 24.448 20.088 1.00 0.00 H ATOM 161 HD21 ASN A 119 -7.018 26.052 20.328 1.00 0.00 H ATOM 162 H ASN A 119 -8.069 20.643 18.648 1.00 0.00 H ATOM 163 N ASN A 120 -6.044 22.926 17.368 1.00 14.33 N ATOM 164 CA ASN A 120 -4.856 23.595 16.807 1.00 13.15 C ATOM 165 C ASN A 120 -3.776 22.585 16.551 1.00 13.11 C ATOM 166 O ASN A 120 -3.775 21.533 17.145 1.00 12.10 O ATOM 167 CB ASN A 120 -4.355 24.745 17.721 1.00 14.16 C ATOM 168 CG ASN A 120 -3.747 24.285 19.030 1.00 14.90 C ATOM 169 OD1 ASN A 120 -4.429 23.702 19.888 1.00 15.63 O ATOM 170 ND2 ASN A 120 -2.479 24.550 19.209 1.00 16.04 N ATOM 171 HD22 ASN A 120 -1.940 25.040 18.467 1.00 0.00 H ATOM 172 HD21 ASN A 120 -2.009 24.270 20.094 1.00 0.00 H ATOM 173 H ASN A 120 -5.925 22.000 17.826 1.00 0.00 H ATOM 174 N TYR A 121 -2.830 22.944 15.695 1.00 13.16 N ATOM 175 CA TYR A 121 -1.863 22.016 15.203 1.00 13.62 C ATOM 176 C TYR A 121 -0.470 22.423 15.620 1.00 16.78 C ATOM 177 O TYR A 121 -0.056 23.583 15.455 1.00 16.98 O ATOM 178 CB TYR A 121 -1.896 21.919 13.666 1.00 14.78 C ATOM 179 CG TYR A 121 -3.026 21.182 13.123 1.00 14.72 C ATOM 180 CD1 TYR A 121 -4.249 21.783 12.997 1.00 14.11 C ATOM 181 CD2 TYR A 121 -2.904 19.856 12.740 1.00 14.87 C ATOM 182 CE1 TYR A 121 -5.339 21.124 12.520 1.00 14.98 C ATOM 183 CE2 TYR A 121 -4.020 19.155 12.219 1.00 15.60 C ATOM 184 CZ TYR A 121 -5.214 19.772 12.125 1.00 15.98 C ATOM 185 OH TYR A 121 -6.298 19.119 11.632 1.00 15.87 O ATOM 186 HH TYR A 121 -6.113 18.828 10.704 1.00 0.00 H ATOM 187 H TYR A 121 -2.791 23.932 15.372 1.00 0.00 H ATOM 188 N THR A 122 0.237 21.496 16.235 1.00 16.85 N ATOM 189 CA THR A 122 1.640 21.719 16.565 1.00 15.47 C ATOM 190 C THR A 122 2.410 22.065 15.298 1.00 17.89 C ATOM 191 O THR A 122 2.215 21.430 14.290 1.00 17.94 O ATOM 192 CB THR A 122 2.309 20.503 17.255 1.00 12.76 C ATOM 193 OG1 THR A 122 3.725 20.771 17.324 1.00 15.11 O ATOM 194 CG2 THR A 122 2.085 19.224 16.486 1.00 11.68 C ATOM 195 HG1 THR A 122 3.878 21.596 17.849 1.00 0.00 H ATOM 196 H THR A 122 -0.212 20.593 16.489 1.00 0.00 H ATOM 197 N PRO A 123 3.290 23.084 15.364 1.00 21.64 N ATOM 198 CA PRO A 123 4.163 23.380 14.267 1.00 22.48 C ATOM 199 C PRO A 123 5.282 22.375 14.119 1.00 21.75 C ATOM 200 O PRO A 123 6.045 22.490 13.190 1.00 18.42 O ATOM 201 CB PRO A 123 4.693 24.775 14.593 1.00 23.47 C ATOM 202 CG PRO A 123 4.704 24.779 16.078 1.00 25.56 C ATOM 203 CD PRO A 123 3.448 24.062 16.460 1.00 23.17 C ATOM 204 N ASP A 124 5.402 21.419 15.062 1.00 19.29 N ATOM 205 CA ASP A 124 6.479 20.410 14.981 1.00 19.15 C ATOM 206 C ASP A 124 6.268 19.481 13.806 1.00 17.45 C ATOM 207 O ASP A 124 7.238 19.005 13.220 1.00 17.16 O ATOM 208 CB ASP A 124 6.546 19.566 16.236 1.00 18.95 C ATOM 209 CG ASP A 124 6.754 20.356 17.472 1.00 19.60 C ATOM 210 OD1 ASP A 124 7.061 21.564 17.414 1.00 15.85 O ATOM 211 OD2 ASP A 124 6.549 19.785 18.580 1.00 16.88 O ATOM 212 H ASP A 124 4.730 21.391 15.855 1.00 0.00 H ATOM 213 N MET A 125 5.017 19.257 13.429 1.00 16.28 N ATOM 214 CA MET A 125 4.706 18.291 12.400 1.00 16.40 C ATOM 215 C MET A 125 3.832 18.939 11.273 1.00 19.11 C ATOM 216 O MET A 125 3.172 19.936 11.484 1.00 19.24 O ATOM 217 CB MET A 125 3.987 17.094 13.027 1.00 15.77 C ATOM 218 CG MET A 125 4.698 16.390 14.113 1.00 18.77 C ATOM 219 SD MET A 125 3.659 15.215 15.064 1.00 20.93 S ATOM 220 CE MET A 125 2.898 14.207 13.774 1.00 16.02 C ATOM 221 H MET A 125 4.245 19.786 13.882 1.00 0.00 H ATOM 222 N ASN A 126 3.833 18.364 10.094 1.00 19.84 N ATOM 223 CA ASN A 126 2.890 18.808 9.098 1.00 23.10 C ATOM 224 C ASN A 126 1.489 18.381 9.498 1.00 21.70 C ATOM 225 O ASN A 126 1.302 17.353 10.164 1.00 21.57 O ATOM 226 CB ASN A 126 3.292 18.431 7.697 1.00 31.86 C ATOM 227 CG ASN A 126 2.885 17.031 7.293 1.00 38.74 C ATOM 228 OD1 ASN A 126 1.705 16.709 7.189 1.00 40.76 O ATOM 229 ND2 ASN A 126 3.871 16.194 7.036 1.00 46.54 N ATOM 230 HD22 ASN A 126 4.858 16.506 7.136 1.00 0.00 H ATOM 231 HD21 ASN A 126 3.662 15.221 6.733 1.00 0.00 H ATOM 232 H ASN A 126 4.504 17.599 9.881 1.00 0.00 H ATOM 233 N ARG A 127 0.531 19.158 9.068 1.00 18.34 N ATOM 234 CA ARG A 127 -0.858 18.997 9.476 1.00 20.55 C ATOM 235 C ARG A 127 -1.403 17.611 9.157 1.00 20.47 C ATOM 236 O ARG A 127 -2.125 17.038 9.968 1.00 17.01 O ATOM 237 CB ARG A 127 -1.730 20.089 8.872 1.00 21.38 C ATOM 238 CG ARG A 127 -1.659 21.387 9.670 1.00 25.28 C ATOM 239 CD ARG A 127 -1.914 22.632 8.843 1.00 30.13 C ATOM 240 NE ARG A 127 -2.587 23.681 9.639 1.00 34.57 N ATOM 241 CZ ARG A 127 -3.902 23.714 9.867 1.00 32.26 C ATOM 242 NH1 ARG A 127 -4.429 24.698 10.575 1.00 30.55 N ATOM 243 NH2 ARG A 127 -4.693 22.758 9.387 1.00 32.17 N ATOM 244 HE ARG A 127 -2.001 24.438 10.045 1.00 0.00 H ATOM 245 HH12 ARG A 127 -5.454 24.721 10.751 1.00 0.00 H ATOM 246 HH11 ARG A 127 -3.819 25.449 10.956 1.00 0.00 H ATOM 247 HH22 ARG A 127 -5.717 22.790 9.569 1.00 0.00 H ATOM 248 HH21 ARG A 127 -4.288 21.979 8.830 1.00 0.00 H ATOM 249 H ARG A 127 0.770 19.924 8.406 1.00 0.00 H ATOM 250 N GLU A 128 -1.030 17.085 7.991 1.00 20.73 N ATOM 251 CA GLU A 128 -1.495 15.791 7.518 1.00 21.94 C ATOM 252 C GLU A 128 -1.013 14.672 8.441 1.00 20.32 C ATOM 253 O GLU A 128 -1.760 13.750 8.761 1.00 19.59 O ATOM 254 CB GLU A 128 -1.039 15.580 6.066 1.00 25.26 C ATOM 255 CG GLU A 128 -1.095 14.162 5.551 1.00 28.40 C ATOM 256 CD GLU A 128 -0.624 14.078 4.104 1.00 31.47 C ATOM 257 OE1 GLU A 128 -0.752 15.081 3.362 1.00 33.79 O ATOM 258 OE2 GLU A 128 -0.121 13.020 3.706 1.00 32.99 O ATOM 259 H GLU A 128 -0.375 17.626 7.391 1.00 0.00 H ATOM 260 N ASP A 129 0.215 14.795 8.921 1.00 17.05 N ATOM 261 CA ASP A 129 0.765 13.877 9.877 1.00 17.94 C ATOM 262 C ASP A 129 0.075 13.921 11.230 1.00 15.05 C ATOM 263 O ASP A 129 -0.122 12.910 11.873 1.00 16.54 O ATOM 264 CB ASP A 129 2.295 14.102 10.008 1.00 20.09 C ATOM 265 CG ASP A 129 3.060 13.658 8.787 1.00 24.45 C ATOM 266 OD1 ASP A 129 2.484 12.930 7.959 1.00 30.50 O ATOM 267 OD2 ASP A 129 4.246 14.012 8.643 1.00 29.90 O ATOM 268 H ASP A 129 0.803 15.587 8.593 1.00 0.00 H ATOM 269 N VAL A 130 -0.275 15.095 11.690 1.00 17.80 N ATOM 270 CA VAL A 130 -1.024 15.238 12.962 1.00 15.42 C ATOM 271 C VAL A 130 -2.392 14.565 12.796 1.00 16.54 C ATOM 272 O VAL A 130 -2.803 13.810 13.668 1.00 13.98 O ATOM 273 CB VAL A 130 -1.170 16.697 13.398 1.00 14.35 C ATOM 274 CG1 VAL A 130 -2.124 16.787 14.547 1.00 13.75 C ATOM 275 CG2 VAL A 130 0.187 17.254 13.793 1.00 15.44 C ATOM 276 H VAL A 130 -0.022 15.948 11.151 1.00 0.00 H ATOM 277 N ASP A 131 -3.088 14.878 11.708 1.00 15.59 N ATOM 278 CA ASP A 131 -4.384 14.290 11.450 1.00 17.64 C ATOM 279 C ASP A 131 -4.296 12.769 11.502 1.00 15.31 C ATOM 280 O ASP A 131 -5.122 12.115 12.132 1.00 15.07 O ATOM 281 CB ASP A 131 -4.981 14.769 10.103 1.00 19.05 C ATOM 282 CG ASP A 131 -5.517 16.159 10.154 1.00 19.95 C ATOM 283 OD1 ASP A 131 -5.780 16.716 11.233 1.00 21.52 O ATOM 284 OD2 ASP A 131 -5.654 16.726 9.084 1.00 24.78 O ATOM 285 H ASP A 131 -2.693 15.559 11.029 1.00 0.00 H ATOM 286 N TYR A 132 -3.275 12.212 10.831 1.00 14.31 N ATOM 287 CA TYR A 132 -3.117 10.767 10.705 1.00 15.57 C ATOM 288 C TYR A 132 -2.814 10.122 12.078 1.00 18.55 C ATOM 289 O TYR A 132 -3.482 9.139 12.486 1.00 16.23 O ATOM 290 CB TYR A 132 -2.011 10.487 9.739 1.00 20.49 C ATOM 291 CG TYR A 132 -1.798 9.012 9.469 1.00 20.27 C ATOM 292 CD1 TYR A 132 -2.743 8.277 8.741 1.00 24.30 C ATOM 293 CD2 TYR A 132 -0.680 8.364 9.913 1.00 24.28 C ATOM 294 CE1 TYR A 132 -2.557 6.918 8.488 1.00 21.74 C ATOM 295 CE2 TYR A 132 -0.509 6.983 9.673 1.00 24.28 C ATOM 296 CZ TYR A 132 -1.452 6.297 8.936 1.00 23.92 C ATOM 297 OH TYR A 132 -1.262 4.963 8.695 1.00 25.51 O ATOM 298 HH TYR A 132 -0.416 4.836 8.197 1.00 0.00 H ATOM 299 H TYR A 132 -2.571 12.834 10.385 1.00 0.00 H ATOM 300 N ALA A 133 -1.861 10.737 12.821 1.00 16.79 N ATOM 301 CA ALA A 133 -1.530 10.327 14.147 1.00 14.80 C ATOM 302 C ALA A 133 -2.743 10.218 15.086 1.00 14.93 C ATOM 303 O ALA A 133 -2.964 9.210 15.723 1.00 16.60 O ATOM 304 CB ALA A 133 -0.495 11.218 14.770 1.00 17.25 C ATOM 305 H ALA A 133 -1.349 11.542 12.407 1.00 0.00 H ATOM 306 N ILE A 134 -3.533 11.247 15.090 1.00 12.63 N ATOM 307 CA ILE A 134 -4.750 11.301 15.933 1.00 13.12 C ATOM 308 C ILE A 134 -5.789 10.340 15.469 1.00 14.46 C ATOM 309 O ILE A 134 -6.391 9.659 16.289 1.00 10.77 O ATOM 310 CB ILE A 134 -5.331 12.708 15.988 1.00 13.45 C ATOM 311 CG1 ILE A 134 -4.245 13.702 16.579 1.00 16.58 C ATOM 312 CG2 ILE A 134 -6.543 12.774 16.830 1.00 13.90 C ATOM 313 CD1 ILE A 134 -3.805 13.376 17.976 1.00 15.88 C ATOM 314 H ILE A 134 -3.305 12.060 14.482 1.00 0.00 H ATOM 315 N ARG A 135 -5.998 10.259 14.145 1.00 13.68 N ATOM 316 CA ARG A 135 -6.916 9.280 13.606 1.00 16.11 C ATOM 317 C ARG A 135 -6.578 7.860 14.011 1.00 13.85 C ATOM 318 O ARG A 135 -7.444 7.096 14.422 1.00 11.61 O ATOM 319 CB ARG A 135 -7.040 9.429 12.058 1.00 17.88 C ATOM 320 CG ARG A 135 -7.889 8.337 11.459 1.00 22.28 C ATOM 321 CD ARG A 135 -8.245 8.633 10.004 1.00 26.93 C ATOM 322 NE ARG A 135 -7.248 8.146 9.073 1.00 34.00 N ATOM 323 CZ ARG A 135 -7.060 6.871 8.757 1.00 35.52 C ATOM 324 NH1 ARG A 135 -7.771 5.897 9.328 1.00 38.92 N ATOM 325 NH2 ARG A 135 -6.128 6.569 7.877 1.00 39.11 N ATOM 326 HE ARG A 135 -6.632 8.849 8.617 1.00 0.00 H ATOM 327 HH12 ARG A 135 -7.603 4.906 9.062 1.00 0.00 H ATOM 328 HH11 ARG A 135 -8.493 6.129 10.039 1.00 0.00 H ATOM 329 HH22 ARG A 135 -5.963 5.576 7.614 1.00 0.00 H ATOM 330 HH21 ARG A 135 -5.557 7.323 7.445 1.00 0.00 H ATOM 331 H ARG A 135 -5.496 10.905 13.503 1.00 0.00 H ATOM 332 N LYS A 136 -5.335 7.459 13.791 1.00 13.20 N ATOM 333 CA LYS A 136 -4.882 6.128 14.156 1.00 15.08 C ATOM 334 C LYS A 136 -4.954 5.850 15.635 1.00 14.21 C ATOM 335 O LYS A 136 -5.365 4.767 16.047 1.00 13.31 O ATOM 336 CB LYS A 136 -3.450 5.913 13.675 1.00 16.57 C ATOM 337 CG LYS A 136 -3.301 5.936 12.174 1.00 21.49 C ATOM 338 CD LYS A 136 -4.153 4.860 11.463 1.00 22.38 C ATOM 339 CE LYS A 136 -3.563 3.503 11.628 1.00 27.30 C ATOM 340 NZ LYS A 136 -3.955 2.651 10.471 1.00 34.14 N ATOM 341 HZ1 LYS A 136 -4.992 2.578 10.431 1.00 0.00 H ATOM 342 HZ2 LYS A 136 -3.603 3.080 9.591 1.00 0.00 H ATOM 343 HZ3 LYS A 136 -3.543 1.703 10.585 1.00 0.00 H ATOM 344 H LYS A 136 -4.664 8.116 13.344 1.00 0.00 H ATOM 345 N ALA A 137 -4.679 6.864 16.444 1.00 11.78 N ATOM 346 CA ALA A 137 -4.845 6.718 17.878 1.00 12.92 C ATOM 347 C ALA A 137 -6.243 6.419 18.298 1.00 12.39 C ATOM 348 O ALA A 137 -6.476 5.570 19.142 1.00 13.20 O ATOM 349 CB ALA A 137 -4.352 7.931 18.630 1.00 13.77 C ATOM 350 H ALA A 137 -4.344 7.766 16.050 1.00 0.00 H ATOM 351 N PHE A 138 -7.192 7.072 17.668 1.00 11.41 N ATOM 352 CA PHE A 138 -8.601 6.757 17.989 1.00 10.65 C ATOM 353 C PHE A 138 -8.936 5.324 17.507 1.00 12.67 C ATOM 354 O PHE A 138 -9.724 4.644 18.122 1.00 13.89 O ATOM 355 CB PHE A 138 -9.563 7.754 17.355 1.00 12.36 C ATOM 356 CG PHE A 138 -9.791 8.971 18.181 1.00 14.06 C ATOM 357 CD1 PHE A 138 -10.600 8.906 19.330 1.00 13.90 C ATOM 358 CD2 PHE A 138 -9.149 10.189 17.870 1.00 12.63 C ATOM 359 CE1 PHE A 138 -10.767 10.028 20.131 1.00 13.72 C ATOM 360 CE2 PHE A 138 -9.344 11.300 18.662 1.00 11.19 C ATOM 361 CZ PHE A 138 -10.139 11.215 19.804 1.00 12.66 C ATOM 362 H PHE A 138 -6.958 7.795 16.958 1.00 0.00 H ATOM 363 N GLN A 139 -8.344 4.934 16.386 1.00 13.57 N ATOM 364 CA GLN A 139 -8.664 3.643 15.761 1.00 16.00 C ATOM 365 C GLN A 139 -8.257 2.496 16.659 1.00 15.16 C ATOM 366 O GLN A 139 -8.902 1.492 16.689 1.00 14.11 O ATOM 367 CB GLN A 139 -7.987 3.523 14.422 1.00 18.55 C ATOM 368 CG GLN A 139 -8.482 2.335 13.610 1.00 24.11 C ATOM 369 CD GLN A 139 -7.713 2.187 12.314 1.00 31.10 C ATOM 370 OE1 GLN A 139 -6.501 2.440 12.250 1.00 34.73 O ATOM 371 NE2 GLN A 139 -8.390 1.734 11.289 1.00 40.81 N ATOM 372 HE22 GLN A 139 -9.406 1.534 11.384 1.00 0.00 H ATOM 373 HE21 GLN A 139 -7.912 1.574 10.380 1.00 0.00 H ATOM 374 H GLN A 139 -7.639 5.555 15.940 1.00 0.00 H ATOM 375 N VAL A 140 -7.203 2.716 17.441 1.00 15.37 N ATOM 376 CA VAL A 140 -6.694 1.752 18.406 1.00 12.95 C ATOM 377 C VAL A 140 -7.776 1.278 19.314 1.00 13.90 C ATOM 378 O VAL A 140 -7.944 0.084 19.493 1.00 15.01 O ATOM 379 CB VAL A 140 -5.518 2.300 19.185 1.00 11.95 C ATOM 380 CG1 VAL A 140 -5.246 1.517 20.432 1.00 13.08 C ATOM 381 CG2 VAL A 140 -4.290 2.340 18.275 1.00 11.81 C ATOM 382 H VAL A 140 -6.714 3.630 17.358 1.00 0.00 H ATOM 383 N TRP A 141 -8.471 2.229 19.914 1.00 11.48 N ATOM 384 CA TRP A 141 -9.579 1.979 20.823 1.00 12.28 C ATOM 385 C TRP A 141 -10.854 1.534 20.134 1.00 12.36 C ATOM 386 O TRP A 141 -11.619 0.697 20.654 1.00 14.41 O ATOM 387 CB TRP A 141 -9.805 3.202 21.685 1.00 12.42 C ATOM 388 CG TRP A 141 -8.591 3.568 22.551 1.00 12.20 C ATOM 389 CD1 TRP A 141 -7.760 4.676 22.397 1.00 12.00 C ATOM 390 CD2 TRP A 141 -8.027 2.819 23.654 1.00 10.98 C ATOM 391 NE1 TRP A 141 -6.807 4.681 23.343 1.00 13.36 N ATOM 392 CE2 TRP A 141 -6.920 3.577 24.145 1.00 12.80 C ATOM 393 CE3 TRP A 141 -8.331 1.617 24.262 1.00 11.40 C ATOM 394 CZ2 TRP A 141 -6.132 3.145 25.212 1.00 12.18 C ATOM 395 CZ3 TRP A 141 -7.569 1.182 25.338 1.00 11.46 C ATOM 396 CH2 TRP A 141 -6.481 1.934 25.797 1.00 11.21 C ATOM 397 HE1 TRP A 141 -6.084 5.420 23.451 1.00 0.00 H ATOM 398 H TRP A 141 -8.209 3.218 19.724 1.00 0.00 H ATOM 399 N SER A 142 -11.121 2.092 18.938 1.00 11.29 N ATOM 400 CA SER A 142 -12.344 1.675 18.193 1.00 11.53 C ATOM 401 C SER A 142 -12.232 0.191 17.767 1.00 13.45 C ATOM 402 O SER A 142 -13.207 -0.507 17.597 1.00 15.90 O ATOM 403 CB SER A 142 -12.511 2.598 16.992 1.00 12.08 C ATOM 404 OG SER A 142 -13.553 2.179 16.151 1.00 11.92 O ATOM 405 HG SER A 142 -14.403 2.173 16.659 1.00 0.00 H ATOM 406 H SER A 142 -10.481 2.807 18.538 1.00 0.00 H ATOM 407 N ASN A 143 -11.006 -0.290 17.596 1.00 14.67 N ATOM 408 CA ASN A 143 -10.768 -1.674 17.203 1.00 16.05 C ATOM 409 C ASN A 143 -11.153 -2.732 18.256 1.00 15.03 C ATOM 410 O ASN A 143 -11.319 -3.880 17.895 1.00 18.18 O ATOM 411 CB ASN A 143 -9.314 -1.891 16.884 1.00 18.68 C ATOM 412 CG ASN A 143 -8.922 -1.361 15.519 1.00 21.04 C ATOM 413 OD1 ASN A 143 -9.753 -1.088 14.661 1.00 24.16 O ATOM 414 ND2 ASN A 143 -7.639 -1.233 15.328 1.00 26.33 N ATOM 415 HD22 ASN A 143 -6.973 -1.478 16.088 1.00 0.00 H ATOM 416 HD21 ASN A 143 -7.281 -0.886 14.415 1.00 0.00 H ATOM 417 H ASN A 143 -10.192 0.339 17.747 1.00 0.00 H ATOM 418 N VAL A 144 -11.374 -2.337 19.509 1.00 12.93 N ATOM 419 CA VAL A 144 -11.644 -3.258 20.551 1.00 12.35 C ATOM 420 C VAL A 144 -12.804 -2.892 21.388 1.00 13.37 C ATOM 421 O VAL A 144 -12.983 -3.446 22.501 1.00 14.51 O ATOM 422 CB VAL A 144 -10.420 -3.452 21.480 1.00 11.54 C ATOM 423 CG1 VAL A 144 -9.247 -4.045 20.666 1.00 11.70 C ATOM 424 CG2 VAL A 144 -10.042 -2.120 22.161 1.00 11.50 C ATOM 425 H VAL A 144 -11.347 -1.321 19.729 1.00 0.00 H ATOM 426 N THR A 145 -13.619 -1.970 20.874 1.00 12.13 N ATOM 427 CA THR A 145 -14.860 -1.519 21.631 1.00 13.43 C ATOM 428 C THR A 145 -15.975 -1.329 20.585 1.00 14.66 C ATOM 429 O THR A 145 -15.694 -1.244 19.432 1.00 14.08 O ATOM 430 CB THR A 145 -14.606 -0.165 22.332 1.00 15.01 C ATOM 431 OG1 THR A 145 -14.286 0.861 21.356 1.00 15.76 O ATOM 432 CG2 THR A 145 -13.566 -0.292 23.344 1.00 14.09 C ATOM 433 HG1 THR A 145 -13.472 0.598 20.858 1.00 0.00 H ATOM 434 H THR A 145 -13.404 -1.554 19.945 1.00 0.00 H ATOM 435 N PRO A 146 -17.226 -1.138 21.041 1.00 16.47 N ATOM 436 CA PRO A 146 -18.215 -0.678 20.108 1.00 20.62 C ATOM 437 C PRO A 146 -18.193 0.844 19.831 1.00 21.84 C ATOM 438 O PRO A 146 -19.122 1.359 19.235 1.00 20.53 O ATOM 439 CB PRO A 146 -19.567 -1.027 20.825 1.00 22.56 C ATOM 440 CG PRO A 146 -19.242 -0.995 22.264 1.00 22.14 C ATOM 441 CD PRO A 146 -17.771 -1.360 22.379 1.00 21.86 C ATOM 442 N LEU A 147 -17.188 1.565 20.298 1.00 19.90 N ATOM 443 CA LEU A 147 -17.143 3.008 20.124 1.00 17.17 C ATOM 444 C LEU A 147 -16.805 3.305 18.666 1.00 16.65 C ATOM 445 O LEU A 147 -15.958 2.657 18.069 1.00 18.26 O ATOM 446 CB LEU A 147 -16.101 3.659 21.036 1.00 16.36 C ATOM 447 CG LEU A 147 -16.313 3.439 22.535 1.00 15.52 C ATOM 448 CD1 LEU A 147 -15.217 4.135 23.293 1.00 16.35 C ATOM 449 CD2 LEU A 147 -17.713 3.943 22.930 1.00 16.89 C ATOM 450 H LEU A 147 -16.412 1.089 20.801 1.00 0.00 H ATOM 451 N LYS A 148 -17.440 4.360 18.147 1.00 14.52 N ATOM 452 CA LYS A 148 -17.103 4.874 16.807 1.00 14.84 C ATOM 453 C LYS A 148 -16.714 6.385 16.971 1.00 14.08 C ATOM 454 O LYS A 148 -17.418 7.140 17.622 1.00 16.31 O ATOM 455 CB LYS A 148 -18.356 4.748 15.908 1.00 18.71 C ATOM 456 CG LYS A 148 -18.218 5.242 14.473 1.00 22.89 C ATOM 457 CD LYS A 148 -19.513 5.029 13.727 1.00 26.08 C ATOM 458 CE LYS A 148 -19.569 5.813 12.420 1.00 28.01 C ATOM 459 NZ LYS A 148 -18.724 5.276 11.373 1.00 27.28 N ATOM 460 HZ1 LYS A 148 -17.734 5.280 11.692 1.00 0.00 H ATOM 461 HZ2 LYS A 148 -19.016 4.301 11.159 1.00 0.00 H ATOM 462 HZ3 LYS A 148 -18.817 5.862 10.519 1.00 0.00 H ATOM 463 H LYS A 148 -18.187 4.828 18.699 1.00 0.00 H ATOM 464 N PHE A 149 -15.585 6.777 16.376 1.00 13.88 N ATOM 465 CA PHE A 149 -15.098 8.125 16.484 1.00 16.37 C ATOM 466 C PHE A 149 -15.173 8.885 15.117 1.00 18.64 C ATOM 467 O PHE A 149 -14.813 8.346 14.055 1.00 19.41 O ATOM 468 CB PHE A 149 -13.665 8.123 16.971 1.00 16.19 C ATOM 469 CG PHE A 149 -13.492 7.540 18.316 1.00 14.08 C ATOM 470 CD1 PHE A 149 -13.989 8.176 19.431 1.00 13.92 C ATOM 471 CD2 PHE A 149 -12.928 6.282 18.448 1.00 15.05 C ATOM 472 CE1 PHE A 149 -13.849 7.594 20.689 1.00 13.68 C ATOM 473 CE2 PHE A 149 -12.794 5.696 19.720 1.00 14.41 C ATOM 474 CZ PHE A 149 -13.246 6.359 20.816 1.00 14.05 C ATOM 475 H PHE A 149 -15.042 6.087 15.818 1.00 0.00 H ATOM 476 N SER A 150 -15.629 10.129 15.170 1.00 18.73 N ATOM 477 CA SER A 150 -15.822 10.900 13.943 1.00 22.32 C ATOM 478 C SER A 150 -15.093 12.247 14.078 1.00 19.64 C ATOM 479 O SER A 150 -15.256 12.937 15.064 1.00 18.31 O ATOM 480 CB SER A 150 -17.334 11.070 13.632 1.00 27.70 C ATOM 481 OG SER A 150 -17.547 12.173 12.762 1.00 41.02 O ATOM 482 HG SER A 150 -18.515 12.264 12.577 1.00 0.00 H ATOM 483 H SER A 150 -15.851 10.559 16.091 1.00 0.00 H ATOM 484 N LYS A 151 -14.240 12.565 13.104 1.00 15.94 N ATOM 485 CA LYS A 151 -13.517 13.776 13.096 1.00 15.38 C ATOM 486 C LYS A 151 -14.382 14.967 12.644 1.00 15.79 C ATOM 487 O LYS A 151 -14.995 14.905 11.598 1.00 16.24 O ATOM 488 CB LYS A 151 -12.308 13.651 12.230 1.00 17.87 C ATOM 489 CG LYS A 151 -11.413 14.888 12.238 1.00 20.43 C ATOM 490 CD LYS A 151 -10.225 14.672 11.343 1.00 26.32 C ATOM 491 CE LYS A 151 -9.280 15.847 11.439 1.00 30.91 C ATOM 492 NZ LYS A 151 -9.809 16.964 10.641 1.00 35.12 N ATOM 493 HZ1 LYS A 151 -9.897 16.668 9.648 1.00 0.00 H ATOM 494 HZ2 LYS A 151 -10.743 17.238 11.007 1.00 0.00 H ATOM 495 HZ3 LYS A 151 -9.159 17.773 10.706 1.00 0.00 H ATOM 496 H LYS A 151 -14.103 11.895 12.321 1.00 0.00 H ATOM 497 N ILE A 152 -14.367 16.056 13.427 1.00 15.55 N ATOM 498 CA ILE A 152 -14.998 17.336 13.089 1.00 13.64 C ATOM 499 C ILE A 152 -13.921 18.430 12.881 1.00 12.30 C ATOM 500 O ILE A 152 -13.059 18.586 13.721 1.00 12.59 O ATOM 501 CB ILE A 152 -15.935 17.734 14.200 1.00 17.42 C ATOM 502 CG1 ILE A 152 -17.031 16.636 14.302 1.00 25.08 C ATOM 503 CG2 ILE A 152 -16.449 19.144 13.945 1.00 15.84 C ATOM 504 CD1 ILE A 152 -18.278 16.961 15.063 1.00 29.71 C ATOM 505 H ILE A 152 -13.872 15.988 14.339 1.00 0.00 H ATOM 506 N ASN A 153 -13.973 19.155 11.766 1.00 12.46 N ATOM 507 CA ASN A 153 -13.044 20.223 11.474 1.00 15.53 C ATOM 508 C ASN A 153 -13.463 21.505 12.135 1.00 17.62 C ATOM 509 O ASN A 153 -12.582 22.275 12.557 1.00 21.82 O ATOM 510 CB ASN A 153 -12.898 20.494 9.986 1.00 18.75 C ATOM 511 CG ASN A 153 -12.255 19.370 9.253 1.00 26.36 C ATOM 512 OD1 ASN A 153 -11.432 18.674 9.803 1.00 37.79 O ATOM 513 ND2 ASN A 153 -12.624 19.194 7.978 1.00 31.68 N ATOM 514 HD22 ASN A 153 -13.337 19.820 7.552 1.00 0.00 H ATOM 515 HD21 ASN A 153 -12.198 18.431 7.414 1.00 0.00 H ATOM 516 H ASN A 153 -14.718 18.943 11.072 1.00 0.00 H ATOM 517 N THR A 154 -14.770 21.716 12.278 1.00 15.03 N ATOM 518 CA THR A 154 -15.266 22.974 12.780 1.00 14.64 C ATOM 519 C THR A 154 -16.549 22.687 13.546 1.00 14.15 C ATOM 520 O THR A 154 -17.421 21.978 13.035 1.00 14.54 O ATOM 521 CB THR A 154 -15.615 23.980 11.614 1.00 17.88 C ATOM 522 OG1 THR A 154 -14.597 23.917 10.548 1.00 16.05 O ATOM 523 CG2 THR A 154 -15.782 25.369 12.155 1.00 15.90 C ATOM 524 HG1 THR A 154 -13.713 24.156 10.923 1.00 0.00 H ATOM 525 H THR A 154 -15.442 20.964 12.024 1.00 0.00 H ATOM 526 N GLY A 155 -16.671 23.277 14.720 1.00 15.10 N ATOM 527 CA GLY A 155 -17.914 23.156 15.507 1.00 15.55 C ATOM 528 C GLY A 155 -17.785 22.311 16.761 1.00 17.93 C ATOM 529 O GLY A 155 -16.728 22.122 17.285 1.00 17.61 O ATOM 530 H GLY A 155 -15.879 23.836 15.097 1.00 0.00 H ATOM 531 N MET A 156 -18.913 21.852 17.246 1.00 16.54 N ATOM 532 CA MET A 156 -18.983 21.161 18.492 1.00 16.46 C ATOM 533 C MET A 156 -18.414 19.734 18.369 1.00 15.42 C ATOM 534 O MET A 156 -18.695 19.023 17.420 1.00 12.77 O ATOM 535 CB MET A 156 -20.435 21.101 18.912 1.00 17.87 C ATOM 536 CG MET A 156 -21.025 22.427 19.298 1.00 20.16 C ATOM 537 SD MET A 156 -22.747 22.171 19.821 1.00 22.37 S ATOM 538 CE MET A 156 -23.395 21.661 18.233 1.00 20.08 C ATOM 539 H MET A 156 -19.788 21.997 16.703 1.00 0.00 H ATOM 540 N ALA A 157 -17.567 19.363 19.319 1.00 14.58 N ATOM 541 CA ALA A 157 -16.996 18.026 19.390 1.00 12.80 C ATOM 542 C ALA A 157 -16.816 17.641 20.855 1.00 15.14 C ATOM 543 O ALA A 157 -16.659 18.517 21.718 1.00 14.37 O ATOM 544 CB ALA A 157 -15.709 17.941 18.665 1.00 14.07 C ATOM 545 H ALA A 157 -17.299 20.058 20.045 1.00 0.00 H ATOM 546 N ASP A 158 -16.815 16.334 21.115 1.00 13.04 N ATOM 547 CA ASP A 158 -16.768 15.814 22.462 1.00 13.17 C ATOM 548 C ASP A 158 -15.350 15.945 23.006 1.00 10.38 C ATOM 549 O ASP A 158 -15.103 16.429 24.111 1.00 10.59 O ATOM 550 CB ASP A 158 -17.198 14.336 22.455 1.00 13.92 C ATOM 551 CG ASP A 158 -18.634 14.136 22.135 1.00 15.07 C ATOM 552 OD1 ASP A 158 -19.503 14.765 22.822 1.00 18.85 O ATOM 553 OD2 ASP A 158 -18.910 13.329 21.235 1.00 15.74 O ATOM 554 H ASP A 158 -16.849 15.664 20.320 1.00 0.00 H ATOM 555 N ILE A 159 -14.397 15.513 22.197 1.00 11.53 N ATOM 556 CA ILE A 159 -13.031 15.495 22.569 1.00 12.63 C ATOM 557 C ILE A 159 -12.267 16.509 21.774 1.00 14.32 C ATOM 558 O ILE A 159 -12.021 16.310 20.605 1.00 14.61 O ATOM 559 CB ILE A 159 -12.390 14.054 22.388 1.00 13.31 C ATOM 560 CG1 ILE A 159 -13.027 13.054 23.318 1.00 12.89 C ATOM 561 CG2 ILE A 159 -10.906 14.109 22.550 1.00 13.63 C ATOM 562 CD1 ILE A 159 -12.847 11.595 22.954 1.00 13.36 C ATOM 563 H ILE A 159 -14.661 15.173 21.250 1.00 0.00 H ATOM 564 N LEU A 160 -11.849 17.588 22.433 1.00 13.81 N ATOM 565 CA LEU A 160 -11.023 18.607 21.790 1.00 12.79 C ATOM 566 C LEU A 160 -9.564 18.293 22.042 1.00 13.45 C ATOM 567 O LEU A 160 -9.139 18.131 23.206 1.00 13.31 O ATOM 568 CB LEU A 160 -11.368 19.983 22.346 1.00 12.99 C ATOM 569 CG LEU A 160 -12.853 20.360 22.233 1.00 12.08 C ATOM 570 CD1 LEU A 160 -13.073 21.831 22.509 1.00 12.18 C ATOM 571 CD2 LEU A 160 -13.378 19.961 20.848 1.00 11.67 C ATOM 572 H LEU A 160 -12.117 17.708 23.431 1.00 0.00 H ATOM 573 N VAL A 161 -8.781 18.272 20.964 1.00 14.32 N ATOM 574 CA VAL A 161 -7.357 18.109 21.040 1.00 13.63 C ATOM 575 C VAL A 161 -6.659 19.449 20.943 1.00 15.37 C ATOM 576 O VAL A 161 -6.851 20.170 19.965 1.00 17.92 O ATOM 577 CB VAL A 161 -6.893 17.256 19.901 1.00 15.35 C ATOM 578 CG1 VAL A 161 -5.403 17.271 19.769 1.00 17.24 C ATOM 579 CG2 VAL A 161 -7.439 15.840 20.067 1.00 13.87 C ATOM 580 H VAL A 161 -9.221 18.378 20.027 1.00 0.00 H ATOM 581 N VAL A 162 -5.872 19.769 21.937 1.00 13.46 N ATOM 582 CA VAL A 162 -5.136 21.051 22.095 1.00 14.12 C ATOM 583 C VAL A 162 -3.671 20.843 22.244 1.00 14.46 C ATOM 584 O VAL A 162 -3.225 19.949 23.012 1.00 14.99 O ATOM 585 CB VAL A 162 -5.646 21.833 23.298 1.00 13.55 C ATOM 586 CG1 VAL A 162 -4.901 23.153 23.530 1.00 12.67 C ATOM 587 CG2 VAL A 162 -7.159 22.087 23.148 1.00 15.19 C ATOM 588 H VAL A 162 -5.749 19.060 22.688 1.00 0.00 H ATOM 589 N PHE A 163 -2.900 21.662 21.529 1.00 12.89 N ATOM 590 CA PHE A 163 -1.454 21.785 21.743 1.00 12.95 C ATOM 591 C PHE A 163 -1.202 23.162 22.404 1.00 16.08 C ATOM 592 O PHE A 163 -1.519 24.200 21.824 1.00 13.74 O ATOM 593 CB PHE A 163 -0.689 21.696 20.453 1.00 11.74 C ATOM 594 CG PHE A 163 -0.671 20.352 19.857 1.00 11.49 C ATOM 595 CD1 PHE A 163 0.342 19.428 20.208 1.00 12.57 C ATOM 596 CD2 PHE A 163 -1.658 19.940 18.967 1.00 11.66 C ATOM 597 CE1 PHE A 163 0.385 18.190 19.638 1.00 13.10 C ATOM 598 CE2 PHE A 163 -1.605 18.692 18.380 1.00 14.22 C ATOM 599 CZ PHE A 163 -0.588 17.804 18.760 1.00 14.21 C ATOM 600 H PHE A 163 -3.343 22.240 20.786 1.00 0.00 H ATOM 601 N ALA A 164 -0.664 23.158 23.608 1.00 14.18 N ATOM 602 CA ALA A 164 -0.347 24.396 24.339 1.00 15.00 C ATOM 603 C ALA A 164 0.822 24.203 25.271 1.00 15.37 C ATOM 604 O ALA A 164 1.198 23.083 25.575 1.00 15.39 O ATOM 605 CB ALA A 164 -1.613 24.852 25.144 1.00 13.91 C ATOM 606 H ALA A 164 -0.455 22.244 24.059 1.00 0.00 H ATOM 607 N ARG A 165 1.395 25.309 25.756 1.00 13.66 N ATOM 608 CA ARG A 165 2.504 25.229 26.681 1.00 15.13 C ATOM 609 C ARG A 165 2.252 25.932 27.986 1.00 15.73 C ATOM 610 O ARG A 165 1.398 26.779 28.067 1.00 13.87 O ATOM 611 CB ARG A 165 3.846 25.628 26.026 1.00 22.71 C ATOM 612 CG ARG A 165 4.114 27.085 25.773 1.00 23.64 C ATOM 613 CD ARG A 165 5.386 27.285 24.873 1.00 27.17 C ATOM 614 NE ARG A 165 5.129 27.617 23.466 1.00 36.30 N ATOM 615 CZ ARG A 165 5.764 27.116 22.398 1.00 40.87 C ATOM 616 NH1 ARG A 165 5.414 27.535 21.207 1.00 48.24 N ATOM 617 NH2 ARG A 165 6.704 26.175 22.489 1.00 46.33 N ATOM 618 HE ARG A 165 4.378 28.312 23.280 1.00 0.00 H ATOM 619 HH12 ARG A 165 5.892 27.161 20.363 1.00 0.00 H ATOM 620 HH11 ARG A 165 4.658 28.242 21.106 1.00 0.00 H ATOM 621 HH22 ARG A 165 7.168 25.819 21.629 1.00 0.00 H ATOM 622 HH21 ARG A 165 6.973 25.797 23.420 1.00 0.00 H ATOM 623 H ARG A 165 1.038 26.241 25.464 1.00 0.00 H ATOM 624 N GLY A 166 3.000 25.519 29.017 1.00 13.59 N ATOM 625 CA GLY A 166 2.943 26.152 30.317 1.00 13.68 C ATOM 626 C GLY A 166 1.533 26.189 30.806 1.00 12.54 C ATOM 627 O GLY A 166 0.774 25.206 30.623 1.00 10.30 O ATOM 628 H GLY A 166 3.645 24.715 28.879 1.00 0.00 H ATOM 629 N ALA A 167 1.165 27.281 31.414 1.00 12.10 N ATOM 630 CA ALA A 167 -0.223 27.469 31.894 1.00 12.58 C ATOM 631 C ALA A 167 -1.090 27.847 30.737 1.00 13.45 C ATOM 632 O ALA A 167 -0.780 28.797 30.043 1.00 12.84 O ATOM 633 CB ALA A 167 -0.259 28.519 32.972 1.00 14.78 C ATOM 634 H ALA A 167 1.862 28.038 31.566 1.00 0.00 H ATOM 635 N HIS A 168 -2.229 27.117 30.535 1.00 13.31 N ATOM 636 CA HIS A 168 -2.997 27.247 29.317 1.00 12.93 C ATOM 637 C HIS A 168 -4.503 27.156 29.565 1.00 13.77 C ATOM 638 O HIS A 168 -5.224 26.681 28.678 1.00 15.78 O ATOM 639 CB HIS A 168 -2.594 26.148 28.301 1.00 12.95 C ATOM 640 CG HIS A 168 -2.702 24.763 28.873 1.00 12.30 C ATOM 641 ND1 HIS A 168 -1.717 24.197 29.641 1.00 12.76 N ATOM 642 CD2 HIS A 168 -3.686 23.849 28.805 1.00 9.96 C ATOM 643 CE1 HIS A 168 -2.114 23.008 30.071 1.00 10.08 C ATOM 644 NE2 HIS A 168 -3.289 22.770 29.539 1.00 11.36 N ATOM 645 H HIS A 168 -2.549 26.456 31.272 1.00 0.00 H ATOM 646 N GLY A 169 -4.928 27.603 30.738 1.00 14.63 N ATOM 647 CA GLY A 169 -6.282 27.877 31.019 1.00 17.66 C ATOM 648 C GLY A 169 -7.088 26.907 31.809 1.00 19.74 C ATOM 649 O GLY A 169 -8.296 27.096 31.905 1.00 17.81 O ATOM 650 H GLY A 169 -4.227 27.760 31.490 1.00 0.00 H ATOM 651 N ASP A 170 -6.488 25.824 32.301 1.00 18.27 N ATOM 652 CA ASP A 170 -7.312 24.790 32.980 1.00 19.45 C ATOM 653 C ASP A 170 -6.821 24.383 34.365 1.00 23.29 C ATOM 654 O ASP A 170 -7.244 23.361 34.895 1.00 28.75 O ATOM 655 CB ASP A 170 -7.476 23.557 32.121 1.00 16.96 C ATOM 656 CG ASP A 170 -6.130 22.845 31.825 1.00 14.43 C ATOM 657 OD1 ASP A 170 -5.120 23.156 32.506 1.00 15.42 O ATOM 658 OD2 ASP A 170 -6.137 21.926 30.934 1.00 10.97 O ATOM 659 H ASP A 170 -5.459 25.704 32.211 1.00 0.00 H ATOM 660 N ASP A 171 -5.946 25.156 34.951 1.00 22.90 N ATOM 661 CA ASP A 171 -5.435 24.818 36.293 1.00 28.22 C ATOM 662 C ASP A 171 -4.474 23.649 36.338 1.00 24.76 C ATOM 663 O ASP A 171 -4.018 23.259 37.386 1.00 27.18 O ATOM 664 CB ASP A 171 -6.542 24.600 37.354 1.00 35.71 C ATOM 665 CG ASP A 171 -7.389 25.833 37.562 1.00 37.92 C ATOM 666 OD1 ASP A 171 -6.892 26.964 37.395 1.00 45.53 O ATOM 667 OD2 ASP A 171 -8.546 25.672 37.870 1.00 49.00 O ATOM 668 H ASP A 171 -5.608 26.014 34.469 1.00 0.00 H ATOM 669 N HIS A 172 -4.120 23.109 35.193 1.00 19.27 N ATOM 670 CA HIS A 172 -3.045 22.107 35.139 1.00 17.76 C ATOM 671 C HIS A 172 -1.971 22.539 34.179 1.00 15.78 C ATOM 672 O HIS A 172 -1.885 22.100 33.029 1.00 15.99 O ATOM 673 CB HIS A 172 -3.640 20.743 34.729 1.00 19.36 C ATOM 674 CG HIS A 172 -4.613 20.178 35.712 1.00 21.55 C ATOM 675 ND1 HIS A 172 -4.221 19.333 36.725 1.00 26.79 N ATOM 676 CD2 HIS A 172 -5.937 20.358 35.866 1.00 21.11 C ATOM 677 CE1 HIS A 172 -5.264 19.011 37.463 1.00 21.93 C ATOM 678 NE2 HIS A 172 -6.317 19.614 36.953 1.00 23.47 N ATOM 679 H HIS A 172 -4.604 23.393 34.318 1.00 0.00 H ATOM 680 N ALA A 173 -1.054 23.370 34.679 1.00 15.09 N ATOM 681 CA ALA A 173 -0.019 23.865 33.855 1.00 14.73 C ATOM 682 C ALA A 173 0.943 22.761 33.415 1.00 16.60 C ATOM 683 O ALA A 173 1.282 21.861 34.183 1.00 18.05 O ATOM 684 CB ALA A 173 0.714 24.989 34.527 1.00 14.50 C ATOM 685 H ALA A 173 -1.102 23.654 35.678 1.00 0.00 H ATOM 686 N PHE A 174 1.413 22.888 32.179 1.00 14.17 N ATOM 687 CA PHE A 174 2.497 22.108 31.709 1.00 14.44 C ATOM 688 C PHE A 174 3.865 22.652 32.222 1.00 14.43 C ATOM 689 O PHE A 174 3.929 23.745 32.758 1.00 11.42 O ATOM 690 CB PHE A 174 2.466 21.994 30.215 1.00 12.22 C ATOM 691 CG PHE A 174 1.396 21.062 29.661 1.00 10.59 C ATOM 692 CD1 PHE A 174 1.164 19.829 30.226 1.00 11.10 C ATOM 693 CD2 PHE A 174 0.633 21.437 28.535 1.00 13.36 C ATOM 694 CE1 PHE A 174 0.232 18.962 29.724 1.00 12.39 C ATOM 695 CE2 PHE A 174 -0.354 20.561 28.024 1.00 11.43 C ATOM 696 CZ PHE A 174 -0.560 19.333 28.626 1.00 10.69 C ATOM 697 H PHE A 174 0.973 23.579 31.539 1.00 0.00 H ATOM 698 N ASP A 175 4.931 21.874 32.057 1.00 10.85 N ATOM 699 CA ASP A 175 6.127 22.062 32.851 1.00 11.63 C ATOM 700 C ASP A 175 7.393 22.197 31.957 1.00 12.26 C ATOM 701 O ASP A 175 8.499 21.914 32.425 1.00 14.89 O ATOM 702 CB ASP A 175 6.310 20.864 33.780 1.00 12.92 C ATOM 703 CG ASP A 175 6.438 19.500 33.016 1.00 16.09 C ATOM 704 OD1 ASP A 175 6.226 19.476 31.769 1.00 13.30 O ATOM 705 OD2 ASP A 175 6.675 18.460 33.711 1.00 13.43 O ATOM 706 H ASP A 175 4.905 21.117 31.345 1.00 0.00 H ATOM 707 N GLY A 176 7.223 22.566 30.706 1.00 12.21 N ATOM 708 CA GLY A 176 8.357 22.778 29.797 1.00 13.66 C ATOM 709 C GLY A 176 8.762 21.485 29.186 1.00 16.08 C ATOM 710 O GLY A 176 8.052 20.478 29.302 1.00 15.69 O ATOM 711 H GLY A 176 6.257 22.712 30.350 1.00 0.00 H ATOM 712 N LYS A 177 9.877 21.466 28.476 1.00 15.02 N ATOM 713 CA LYS A 177 10.304 20.260 27.785 1.00 21.31 C ATOM 714 C LYS A 177 10.593 19.091 28.741 1.00 20.50 C ATOM 715 O LYS A 177 11.317 19.229 29.702 1.00 21.95 O ATOM 716 CB LYS A 177 11.507 20.531 26.889 1.00 24.74 C ATOM 717 CG LYS A 177 11.950 19.286 26.154 1.00 28.32 C ATOM 718 CD LYS A 177 12.633 19.614 24.827 1.00 33.69 C ATOM 719 CE LYS A 177 12.786 18.365 23.961 1.00 31.22 C ATOM 720 NZ LYS A 177 12.932 18.724 22.534 1.00 31.78 N ATOM 721 HZ1 LYS A 177 12.089 19.246 22.221 1.00 0.00 H ATOM 722 HZ2 LYS A 177 13.775 19.320 22.412 1.00 0.00 H ATOM 723 HZ3 LYS A 177 13.034 17.857 21.968 1.00 0.00 H ATOM 724 H LYS A 177 10.457 22.326 28.411 1.00 0.00 H ATOM 725 N GLY A 178 10.063 17.940 28.422 1.00 16.42 N ATOM 726 CA GLY A 178 10.200 16.752 29.238 1.00 17.37 C ATOM 727 C GLY A 178 9.209 16.698 30.352 1.00 16.00 C ATOM 728 O GLY A 178 8.210 17.389 30.324 1.00 14.81 O ATOM 729 H GLY A 178 9.517 17.874 27.540 1.00 0.00 H ATOM 730 N GLY A 179 9.452 15.865 31.326 1.00 13.80 N ATOM 731 CA GLY A 179 8.476 15.681 32.395 1.00 14.57 C ATOM 732 C GLY A 179 7.107 15.272 31.911 1.00 15.08 C ATOM 733 O GLY A 179 6.976 14.240 31.249 1.00 14.04 O ATOM 734 H GLY A 179 10.344 15.330 31.341 1.00 0.00 H ATOM 735 N ILE A 180 6.082 16.018 32.248 1.00 13.19 N ATOM 736 CA ILE A 180 4.723 15.705 31.778 1.00 14.17 C ATOM 737 C ILE A 180 4.587 16.088 30.275 1.00 14.75 C ATOM 738 O ILE A 180 4.866 17.215 29.879 1.00 14.72 O ATOM 739 CB ILE A 180 3.661 16.407 32.633 1.00 13.87 C ATOM 740 CG1 ILE A 180 3.749 15.919 34.071 1.00 15.80 C ATOM 741 CG2 ILE A 180 2.237 16.217 32.051 1.00 13.30 C ATOM 742 CD1 ILE A 180 3.220 14.531 34.270 1.00 15.32 C ATOM 743 H ILE A 180 6.233 16.846 32.859 1.00 0.00 H ATOM 744 N LEU A 181 4.131 15.130 29.459 1.00 14.33 N ATOM 745 CA LEU A 181 4.041 15.288 27.999 1.00 11.15 C ATOM 746 C LEU A 181 2.654 15.762 27.547 1.00 10.37 C ATOM 747 O LEU A 181 2.500 16.314 26.497 1.00 10.04 O ATOM 748 CB LEU A 181 4.411 13.972 27.296 1.00 12.37 C ATOM 749 CG LEU A 181 5.732 13.301 27.720 1.00 14.60 C ATOM 750 CD1 LEU A 181 5.846 11.859 27.218 1.00 15.59 C ATOM 751 CD2 LEU A 181 6.940 14.140 27.274 1.00 17.42 C ATOM 752 H LEU A 181 3.825 14.229 29.878 1.00 0.00 H ATOM 753 N ALA A 182 1.640 15.453 28.315 1.00 10.58 N ATOM 754 CA ALA A 182 0.277 15.626 27.909 1.00 9.63 C ATOM 755 C ALA A 182 -0.599 15.305 29.089 1.00 9.90 C ATOM 756 O ALA A 182 -0.124 14.829 30.067 1.00 11.81 O ATOM 757 CB ALA A 182 -0.075 14.725 26.781 1.00 9.58 C ATOM 758 H ALA A 182 1.832 15.065 29.261 1.00 0.00 H ATOM 759 N HIS A 183 -1.883 15.616 28.964 1.00 10.11 N ATOM 760 CA HIS A 183 -2.931 15.205 29.905 1.00 11.33 C ATOM 761 C HIS A 183 -4.292 15.282 29.283 1.00 11.08 C ATOM 762 O HIS A 183 -4.492 15.955 28.281 1.00 14.38 O ATOM 763 CB HIS A 183 -2.898 15.981 31.202 1.00 10.54 C ATOM 764 CG HIS A 183 -3.100 17.458 31.079 1.00 12.08 C ATOM 765 ND1 HIS A 183 -2.419 18.361 31.870 1.00 13.55 N ATOM 766 CD2 HIS A 183 -3.946 18.199 30.327 1.00 12.09 C ATOM 767 CE1 HIS A 183 -2.823 19.587 31.578 1.00 13.21 C ATOM 768 NE2 HIS A 183 -3.759 19.497 30.669 1.00 12.44 N ATOM 769 H HIS A 183 -2.165 16.190 28.144 1.00 0.00 H ATOM 770 N ALA A 184 -5.260 14.607 29.924 1.00 12.10 N ATOM 771 CA ALA A 184 -6.610 14.557 29.388 1.00 11.84 C ATOM 772 C ALA A 184 -7.598 14.387 30.512 1.00 14.79 C ATOM 773 O ALA A 184 -7.325 13.724 31.489 1.00 17.40 O ATOM 774 CB ALA A 184 -6.712 13.452 28.375 1.00 11.48 C ATOM 775 H ALA A 184 -5.041 14.115 30.814 1.00 0.00 H ATOM 776 N PHE A 185 -8.748 14.989 30.336 1.00 12.90 N ATOM 777 CA PHE A 185 -9.842 14.885 31.287 1.00 13.00 C ATOM 778 C PHE A 185 -10.731 13.698 30.912 1.00 13.61 C ATOM 779 O PHE A 185 -10.935 13.400 29.732 1.00 14.74 O ATOM 780 CB PHE A 185 -10.605 16.206 31.232 1.00 13.85 C ATOM 781 CG PHE A 185 -9.768 17.388 31.610 1.00 14.69 C ATOM 782 CD1 PHE A 185 -8.937 17.994 30.654 1.00 14.84 C ATOM 783 CD2 PHE A 185 -9.719 17.848 32.935 1.00 18.44 C ATOM 784 CE1 PHE A 185 -8.114 19.021 31.028 1.00 14.17 C ATOM 785 CE2 PHE A 185 -8.888 18.901 33.292 1.00 17.65 C ATOM 786 CZ PHE A 185 -8.104 19.494 32.346 1.00 15.30 C ATOM 787 H PHE A 185 -8.884 15.565 29.481 1.00 0.00 H ATOM 788 N GLY A 186 -11.336 13.082 31.919 1.00 17.77 N ATOM 789 CA GLY A 186 -12.216 11.982 31.720 1.00 14.33 C ATOM 790 C GLY A 186 -13.580 12.406 31.167 1.00 14.92 C ATOM 791 O GLY A 186 -13.840 13.555 31.043 1.00 15.18 O ATOM 792 H GLY A 186 -11.161 13.415 32.889 1.00 0.00 H ATOM 793 N PRO A 187 -14.447 11.438 30.844 1.00 15.81 N ATOM 794 CA PRO A 187 -15.737 11.668 30.174 1.00 15.67 C ATOM 795 C PRO A 187 -16.596 12.710 30.904 1.00 18.01 C ATOM 796 O PRO A 187 -16.639 12.747 32.108 1.00 17.97 O ATOM 797 CB PRO A 187 -16.373 10.323 30.165 1.00 14.27 C ATOM 798 CG PRO A 187 -15.242 9.372 30.195 1.00 12.55 C ATOM 799 CD PRO A 187 -14.223 10.013 31.049 1.00 14.43 C ATOM 800 N GLY A 188 -17.217 13.574 30.114 1.00 16.56 N ATOM 801 CA GLY A 188 -18.063 14.595 30.669 1.00 18.43 C ATOM 802 C GLY A 188 -18.210 15.757 29.664 1.00 17.83 C ATOM 803 O GLY A 188 -17.535 15.819 28.684 1.00 15.59 O ATOM 804 H GLY A 188 -17.091 13.513 29.083 1.00 0.00 H ATOM 805 N SER A 189 -19.160 16.651 29.968 1.00 17.55 N ATOM 806 CA SER A 189 -19.376 17.801 29.141 1.00 17.68 C ATOM 807 C SER A 189 -18.191 18.780 29.247 1.00 16.51 C ATOM 808 O SER A 189 -17.350 18.669 30.122 1.00 17.74 O ATOM 809 CB SER A 189 -20.686 18.478 29.473 1.00 20.79 C ATOM 810 OG SER A 189 -20.659 18.898 30.817 1.00 22.61 O ATOM 811 HG SER A 189 -21.515 19.342 31.040 1.00 0.00 H ATOM 812 H SER A 189 -19.748 16.509 30.814 1.00 0.00 H ATOM 813 N GLY A 190 -18.135 19.717 28.343 1.00 17.11 N ATOM 814 CA GLY A 190 -17.209 20.814 28.406 1.00 17.21 C ATOM 815 C GLY A 190 -15.805 20.312 28.258 1.00 16.40 C ATOM 816 O GLY A 190 -15.495 19.601 27.311 1.00 13.90 O ATOM 817 H GLY A 190 -18.792 19.669 27.538 1.00 0.00 H ATOM 818 N ILE A 191 -14.963 20.691 29.181 1.00 16.33 N ATOM 819 CA ILE A 191 -13.565 20.238 29.184 1.00 15.97 C ATOM 820 C ILE A 191 -13.444 18.707 29.285 1.00 14.14 C ATOM 821 O ILE A 191 -12.432 18.156 28.935 1.00 12.73 O ATOM 822 CB ILE A 191 -12.725 20.945 30.267 1.00 18.49 C ATOM 823 CG1 ILE A 191 -11.237 20.903 29.906 1.00 16.41 C ATOM 824 CG2 ILE A 191 -12.972 20.329 31.624 1.00 19.71 C ATOM 825 CD1 ILE A 191 -10.370 21.821 30.733 1.00 19.24 C ATOM 826 H ILE A 191 -15.290 21.330 29.934 1.00 0.00 H ATOM 827 N GLY A 192 -14.511 18.042 29.772 1.00 10.32 N ATOM 828 CA GLY A 192 -14.516 16.605 29.831 1.00 13.05 C ATOM 829 C GLY A 192 -14.118 15.988 28.505 1.00 14.79 C ATOM 830 O GLY A 192 -14.582 16.418 27.402 1.00 14.62 O ATOM 831 H GLY A 192 -15.339 18.574 30.108 1.00 0.00 H ATOM 832 N GLY A 193 -13.270 14.964 28.582 1.00 14.63 N ATOM 833 CA GLY A 193 -12.822 14.241 27.384 1.00 13.15 C ATOM 834 C GLY A 193 -11.610 14.879 26.729 1.00 13.16 C ATOM 835 O GLY A 193 -10.943 14.247 25.852 1.00 11.86 O ATOM 836 H GLY A 193 -12.916 14.669 29.514 1.00 0.00 H ATOM 837 N ASP A 194 -11.318 16.117 27.051 1.00 13.07 N ATOM 838 CA ASP A 194 -10.397 16.897 26.151 1.00 11.93 C ATOM 839 C ASP A 194 -8.988 16.431 26.455 1.00 11.69 C ATOM 840 O ASP A 194 -8.658 16.081 27.576 1.00 11.63 O ATOM 841 CB ASP A 194 -10.546 18.391 26.441 1.00 11.49 C ATOM 842 CG ASP A 194 -11.899 18.966 25.964 1.00 12.44 C ATOM 843 OD1 ASP A 194 -12.692 18.245 25.314 1.00 12.48 O ATOM 844 OD2 ASP A 194 -12.078 20.183 26.175 1.00 15.64 O ATOM 845 H ASP A 194 -11.714 16.550 27.909 1.00 0.00 H ATOM 846 N ALA A 195 -8.133 16.461 25.454 1.00 12.62 N ATOM 847 CA ALA A 195 -6.798 15.977 25.573 1.00 11.99 C ATOM 848 C ALA A 195 -5.811 17.063 25.170 1.00 12.62 C ATOM 849 O ALA A 195 -5.927 17.601 24.048 1.00 13.08 O ATOM 850 CB ALA A 195 -6.639 14.756 24.674 1.00 11.82 C ATOM 851 H ALA A 195 -8.444 16.853 24.542 1.00 0.00 H ATOM 852 N HIS A 196 -4.892 17.410 26.050 1.00 10.66 N ATOM 853 CA HIS A 196 -3.962 18.468 25.848 1.00 10.01 C ATOM 854 C HIS A 196 -2.566 17.939 25.711 1.00 9.25 C ATOM 855 O HIS A 196 -2.138 17.052 26.503 1.00 12.35 O ATOM 856 CB HIS A 196 -4.038 19.497 26.970 1.00 12.36 C ATOM 857 CG HIS A 196 -5.391 20.126 27.116 1.00 13.04 C ATOM 858 ND1 HIS A 196 -5.791 20.798 28.234 1.00 12.22 N ATOM 859 CD2 HIS A 196 -6.476 20.095 26.302 1.00 15.23 C ATOM 860 CE1 HIS A 196 -7.031 21.219 28.095 1.00 13.67 C ATOM 861 NE2 HIS A 196 -7.466 20.807 26.927 1.00 14.63 N ATOM 862 H HIS A 196 -4.844 16.880 26.943 1.00 0.00 H ATOM 863 N PHE A 197 -1.831 18.477 24.787 1.00 9.41 N ATOM 864 CA PHE A 197 -0.459 18.085 24.545 1.00 11.25 C ATOM 865 C PHE A 197 0.517 19.217 24.734 1.00 10.98 C ATOM 866 O PHE A 197 0.327 20.278 24.204 1.00 12.52 O ATOM 867 CB PHE A 197 -0.350 17.543 23.083 1.00 11.91 C ATOM 868 CG PHE A 197 -1.208 16.318 22.862 1.00 12.36 C ATOM 869 CD1 PHE A 197 -2.559 16.443 22.569 1.00 10.13 C ATOM 870 CD2 PHE A 197 -0.673 15.047 22.977 1.00 13.15 C ATOM 871 CE1 PHE A 197 -3.360 15.313 22.391 1.00 10.63 C ATOM 872 CE2 PHE A 197 -1.487 13.914 22.808 1.00 13.40 C ATOM 873 CZ PHE A 197 -2.851 14.072 22.502 1.00 11.28 C ATOM 874 H PHE A 197 -2.246 19.223 24.194 1.00 0.00 H ATOM 875 N ASP A 198 1.587 18.971 25.519 1.00 12.34 N ATOM 876 CA ASP A 198 2.550 19.973 25.850 1.00 12.41 C ATOM 877 C ASP A 198 3.382 20.390 24.631 1.00 13.41 C ATOM 878 O ASP A 198 4.094 19.560 24.060 1.00 12.48 O ATOM 879 CB ASP A 198 3.454 19.507 26.933 1.00 11.27 C ATOM 880 CG ASP A 198 4.365 20.620 27.506 1.00 11.73 C ATOM 881 OD1 ASP A 198 4.436 21.731 26.908 1.00 10.21 O ATOM 882 OD2 ASP A 198 5.040 20.340 28.562 1.00 13.43 O ATOM 883 H ASP A 198 1.716 18.012 25.899 1.00 0.00 H ATOM 884 N GLU A 199 3.260 21.653 24.236 1.00 13.59 N ATOM 885 CA GLU A 199 3.920 22.111 22.974 1.00 12.26 C ATOM 886 C GLU A 199 5.414 22.238 23.189 1.00 14.69 C ATOM 887 O GLU A 199 6.184 22.308 22.207 1.00 13.56 O ATOM 888 CB GLU A 199 3.339 23.432 22.468 1.00 14.70 C ATOM 889 CG GLU A 199 3.826 23.870 21.126 1.00 15.54 C ATOM 890 CD GLU A 199 3.550 22.847 20.028 1.00 15.64 C ATOM 891 OE1 GLU A 199 2.397 22.825 19.508 1.00 16.78 O ATOM 892 OE2 GLU A 199 4.439 21.999 19.751 1.00 15.22 O ATOM 893 H GLU A 199 2.705 22.324 24.805 1.00 0.00 H ATOM 894 N ASP A 200 5.871 22.288 24.445 1.00 16.67 N ATOM 895 CA ASP A 200 7.319 22.287 24.669 1.00 15.64 C ATOM 896 C ASP A 200 7.955 20.983 24.430 1.00 14.64 C ATOM 897 O ASP A 200 9.170 20.913 24.402 1.00 16.10 O ATOM 898 CB ASP A 200 7.646 22.783 26.091 1.00 18.39 C ATOM 899 CG ASP A 200 7.453 24.272 26.245 1.00 17.55 C ATOM 900 OD1 ASP A 200 7.544 24.943 25.230 1.00 19.31 O ATOM 901 OD2 ASP A 200 7.170 24.736 27.359 1.00 18.07 O ATOM 902 H ASP A 200 5.211 22.327 25.248 1.00 0.00 H ATOM 903 N GLU A 201 7.180 19.894 24.246 1.00 14.64 N ATOM 904 CA GLU A 201 7.757 18.668 23.611 1.00 13.81 C ATOM 905 C GLU A 201 7.918 18.865 22.119 1.00 14.91 C ATOM 906 O GLU A 201 7.350 19.726 21.541 1.00 12.95 O ATOM 907 CB GLU A 201 6.918 17.386 23.888 1.00 14.73 C ATOM 908 CG GLU A 201 6.271 17.287 25.263 1.00 14.96 C ATOM 909 CD GLU A 201 7.235 17.528 26.412 1.00 16.16 C ATOM 910 OE1 GLU A 201 8.434 17.349 26.200 1.00 16.08 O ATOM 911 OE2 GLU A 201 6.784 17.934 27.505 1.00 17.40 O ATOM 912 H GLU A 201 6.184 19.907 24.545 1.00 0.00 H ATOM 913 N PHE A 202 8.723 18.007 21.522 1.00 15.21 N ATOM 914 CA PHE A 202 8.907 17.999 20.093 1.00 18.22 C ATOM 915 C PHE A 202 8.209 16.745 19.549 1.00 17.47 C ATOM 916 O PHE A 202 8.743 15.630 19.660 1.00 17.06 O ATOM 917 CB PHE A 202 10.369 18.006 19.682 1.00 17.38 C ATOM 918 CG PHE A 202 10.577 18.073 18.203 1.00 18.59 C ATOM 919 CD1 PHE A 202 10.181 19.196 17.498 1.00 18.19 C ATOM 920 CD2 PHE A 202 11.160 17.046 17.518 1.00 19.86 C ATOM 921 CE1 PHE A 202 10.402 19.290 16.123 1.00 19.81 C ATOM 922 CE2 PHE A 202 11.346 17.119 16.130 1.00 23.80 C ATOM 923 CZ PHE A 202 10.965 18.246 15.433 1.00 20.58 C ATOM 924 H PHE A 202 9.241 17.315 22.101 1.00 0.00 H ATOM 925 N TRP A 203 7.004 16.969 19.013 1.00 14.71 N ATOM 926 CA TRP A 203 6.145 15.930 18.538 1.00 14.77 C ATOM 927 C TRP A 203 6.593 15.399 17.161 1.00 16.18 C ATOM 928 O TRP A 203 6.991 16.183 16.270 1.00 19.08 O ATOM 929 CB TRP A 203 4.730 16.421 18.483 1.00 14.11 C ATOM 930 CG TRP A 203 4.237 16.879 19.816 1.00 13.90 C ATOM 931 CD1 TRP A 203 4.124 18.136 20.241 1.00 16.32 C ATOM 932 CD2 TRP A 203 3.900 16.043 20.954 1.00 15.78 C ATOM 933 NE1 TRP A 203 3.677 18.158 21.559 1.00 14.78 N ATOM 934 CE2 TRP A 203 3.592 16.882 22.018 1.00 14.83 C ATOM 935 CE3 TRP A 203 3.882 14.668 21.162 1.00 15.74 C ATOM 936 CZ2 TRP A 203 3.178 16.395 23.286 1.00 14.60 C ATOM 937 CZ3 TRP A 203 3.454 14.170 22.435 1.00 13.24 C ATOM 938 CH2 TRP A 203 3.144 15.048 23.469 1.00 14.38 C ATOM 939 HE1 TRP A 203 3.446 19.013 22.104 1.00 0.00 H ATOM 940 H TRP A 203 6.674 17.952 18.938 1.00 0.00 H ATOM 941 N THR A 204 6.593 14.091 17.005 1.00 16.31 N ATOM 942 CA THR A 204 7.117 13.465 15.797 1.00 18.40 C ATOM 943 C THR A 204 6.292 12.332 15.287 1.00 19.01 C ATOM 944 O THR A 204 5.540 11.702 16.023 1.00 16.40 O ATOM 945 CB THR A 204 8.546 12.934 15.986 1.00 22.95 C ATOM 946 OG1 THR A 204 8.528 11.917 16.973 1.00 25.45 O ATOM 947 CG2 THR A 204 9.497 14.028 16.446 1.00 27.75 C ATOM 948 HG1 THR A 204 7.933 11.183 16.678 1.00 0.00 H ATOM 949 H THR A 204 6.210 13.490 17.762 1.00 0.00 H ATOM 950 N THR A 205 6.475 12.044 13.993 1.00 20.06 N ATOM 951 CA THR A 205 5.798 10.913 13.337 1.00 22.09 C ATOM 952 C THR A 205 6.404 9.552 13.722 1.00 23.24 C ATOM 953 O THR A 205 5.751 8.486 13.616 1.00 25.21 O ATOM 954 CB THR A 205 5.818 11.078 11.808 1.00 21.69 C ATOM 955 OG1 THR A 205 5.431 12.418 11.482 1.00 23.59 O ATOM 956 CG2 THR A 205 4.832 10.131 11.158 1.00 22.37 C ATOM 957 HG1 THR A 205 6.067 13.054 11.897 1.00 0.00 H ATOM 958 H THR A 205 7.117 12.639 13.432 1.00 0.00 H ATOM 959 N HIS A 206 7.661 9.579 14.144 1.00 24.75 N ATOM 960 CA HIS A 206 8.346 8.355 14.623 1.00 28.84 C ATOM 961 C HIS A 206 9.073 8.599 15.945 1.00 25.58 C ATOM 962 O HIS A 206 8.497 9.138 16.846 1.00 29.21 O ATOM 963 CB HIS A 206 9.203 7.815 13.508 1.00 34.25 C ATOM 964 CG HIS A 206 8.404 7.378 12.322 1.00 43.39 C ATOM 965 ND1 HIS A 206 7.501 6.331 12.378 1.00 48.49 N ATOM 966 CD2 HIS A 206 8.346 7.858 11.058 1.00 45.81 C ATOM 967 CE1 HIS A 206 6.930 6.182 11.196 1.00 44.17 C ATOM 968 NE2 HIS A 206 7.430 7.091 10.379 1.00 48.25 N ATOM 969 H HIS A 206 8.179 10.481 14.139 1.00 0.00 H ATOM 970 N SER A 207 10.340 8.244 16.055 1.00 27.07 N ATOM 971 CA SER A 207 11.086 8.604 17.276 1.00 35.54 C ATOM 972 C SER A 207 11.936 9.853 16.912 1.00 34.77 C ATOM 973 O SER A 207 11.697 10.515 15.910 1.00 39.70 O ATOM 974 CB SER A 207 11.890 7.418 17.807 1.00 34.12 C ATOM 975 OG SER A 207 12.611 6.835 16.757 1.00 37.76 O ATOM 976 HG SER A 207 13.131 6.067 17.102 1.00 0.00 H ATOM 977 H SER A 207 10.807 7.717 15.290 1.00 0.00 H ATOM 978 N GLY A 208 12.876 10.213 17.740 1.00 36.07 N ATOM 979 CA GLY A 208 13.592 11.476 17.515 1.00 33.73 C ATOM 980 C GLY A 208 12.805 12.638 18.102 1.00 32.00 C ATOM 981 O GLY A 208 13.029 13.778 17.768 1.00 39.39 O ATOM 982 H GLY A 208 13.117 9.611 18.553 1.00 0.00 H ATOM 983 N GLY A 209 11.877 12.314 18.964 1.00 26.79 N ATOM 984 CA GLY A 209 11.117 13.258 19.764 1.00 22.26 C ATOM 985 C GLY A 209 10.059 12.456 20.468 1.00 23.61 C ATOM 986 O GLY A 209 10.224 11.255 20.643 1.00 27.87 O ATOM 987 H GLY A 209 11.667 11.303 19.086 1.00 0.00 H ATOM 988 N THR A 210 8.973 13.090 20.852 1.00 17.53 N ATOM 989 CA THR A 210 7.889 12.398 21.440 1.00 18.08 C ATOM 990 C THR A 210 6.934 11.952 20.352 1.00 15.47 C ATOM 991 O THR A 210 6.370 12.779 19.637 1.00 15.95 O ATOM 992 CB THR A 210 7.153 13.238 22.499 1.00 14.97 C ATOM 993 OG1 THR A 210 8.141 13.825 23.361 1.00 15.43 O ATOM 994 CG2 THR A 210 6.294 12.383 23.318 1.00 15.26 C ATOM 995 HG1 THR A 210 8.745 14.399 22.826 1.00 0.00 H ATOM 996 H THR A 210 8.910 14.120 20.721 1.00 0.00 H ATOM 997 N ASN A 211 6.675 10.650 20.287 1.00 12.36 N ATOM 998 CA ASN A 211 5.739 10.118 19.248 1.00 10.95 C ATOM 999 C ASN A 211 4.321 10.517 19.537 1.00 11.90 C ATOM 1000 O ASN A 211 3.753 10.061 20.537 1.00 14.54 O ATOM 1001 CB ASN A 211 5.843 8.611 19.132 1.00 14.82 C ATOM 1002 CG ASN A 211 5.031 8.052 17.970 1.00 14.44 C ATOM 1003 OD1 ASN A 211 4.102 7.283 18.172 1.00 14.17 O ATOM 1004 ND2 ASN A 211 5.373 8.451 16.753 1.00 14.76 N ATOM 1005 HD22 ASN A 211 6.170 9.106 16.626 1.00 0.00 H ATOM 1006 HD21 ASN A 211 4.844 8.109 15.926 1.00 0.00 H ATOM 1007 H ASN A 211 7.125 9.998 20.961 1.00 0.00 H ATOM 1008 N LEU A 212 3.707 11.295 18.628 1.00 11.56 N ATOM 1009 CA LEU A 212 2.360 11.791 18.877 1.00 11.65 C ATOM 1010 C LEU A 212 1.338 10.675 18.953 1.00 11.37 C ATOM 1011 O LEU A 212 0.473 10.635 19.889 1.00 14.86 O ATOM 1012 CB LEU A 212 1.942 12.818 17.845 1.00 11.90 C ATOM 1013 CG LEU A 212 0.559 13.441 17.995 1.00 10.59 C ATOM 1014 CD1 LEU A 212 0.440 14.115 19.318 1.00 11.95 C ATOM 1015 CD2 LEU A 212 0.220 14.420 16.853 1.00 12.32 C ATOM 1016 H LEU A 212 4.195 11.543 17.744 1.00 0.00 H ATOM 1017 N PHE A 213 1.356 9.793 17.963 1.00 13.48 N ATOM 1018 CA PHE A 213 0.453 8.624 17.952 1.00 14.04 C ATOM 1019 C PHE A 213 0.383 7.895 19.266 1.00 13.25 C ATOM 1020 O PHE A 213 -0.713 7.753 19.904 1.00 12.08 O ATOM 1021 CB PHE A 213 0.872 7.639 16.829 1.00 13.54 C ATOM 1022 CG PHE A 213 0.212 6.312 16.952 1.00 14.27 C ATOM 1023 CD1 PHE A 213 -1.128 6.165 16.658 1.00 13.38 C ATOM 1024 CD2 PHE A 213 0.952 5.168 17.378 1.00 16.42 C ATOM 1025 CE1 PHE A 213 -1.742 4.918 16.818 1.00 13.31 C ATOM 1026 CE2 PHE A 213 0.360 3.953 17.486 1.00 14.85 C ATOM 1027 CZ PHE A 213 -0.958 3.818 17.197 1.00 13.18 C ATOM 1028 H PHE A 213 2.022 9.927 17.175 1.00 0.00 H ATOM 1029 N LEU A 214 1.545 7.544 19.806 1.00 13.51 N ATOM 1030 CA LEU A 214 1.581 6.778 21.039 1.00 13.96 C ATOM 1031 C LEU A 214 1.036 7.571 22.248 1.00 13.36 C ATOM 1032 O LEU A 214 0.200 7.061 23.041 1.00 13.02 O ATOM 1033 CB LEU A 214 3.003 6.304 21.323 1.00 14.94 C ATOM 1034 CG LEU A 214 3.457 5.099 20.527 1.00 15.47 C ATOM 1035 CD1 LEU A 214 4.941 4.840 20.695 1.00 15.73 C ATOM 1036 CD2 LEU A 214 2.594 3.874 20.840 1.00 16.44 C ATOM 1037 H LEU A 214 2.434 7.820 19.343 1.00 0.00 H ATOM 1038 N THR A 215 1.484 8.826 22.366 1.00 12.87 N ATOM 1039 CA THR A 215 0.973 9.688 23.401 1.00 14.43 C ATOM 1040 C THR A 215 -0.527 9.888 23.312 1.00 11.91 C ATOM 1041 O THR A 215 -1.244 9.830 24.312 1.00 14.68 O ATOM 1042 CB THR A 215 1.745 11.029 23.426 1.00 15.84 C ATOM 1043 OG1 THR A 215 3.133 10.761 23.500 1.00 17.96 O ATOM 1044 CG2 THR A 215 1.297 11.887 24.618 1.00 15.47 C ATOM 1045 HG1 THR A 215 3.408 10.232 22.710 1.00 0.00 H ATOM 1046 H THR A 215 2.205 9.181 21.707 1.00 0.00 H ATOM 1047 N ALA A 216 -1.022 10.041 22.118 1.00 12.68 N ATOM 1048 CA ALA A 216 -2.427 10.196 21.883 1.00 12.47 C ATOM 1049 C ALA A 216 -3.213 8.986 22.213 1.00 12.56 C ATOM 1050 O ALA A 216 -4.323 9.084 22.799 1.00 11.82 O ATOM 1051 CB ALA A 216 -2.705 10.601 20.480 1.00 15.75 C ATOM 1052 H ALA A 216 -0.374 10.051 21.305 1.00 0.00 H ATOM 1053 N VAL A 217 -2.647 7.823 21.965 1.00 11.21 N ATOM 1054 CA VAL A 217 -3.312 6.591 22.373 1.00 12.28 C ATOM 1055 C VAL A 217 -3.532 6.594 23.871 1.00 10.00 C ATOM 1056 O VAL A 217 -4.625 6.317 24.348 1.00 10.61 O ATOM 1057 CB VAL A 217 -2.564 5.306 21.961 1.00 11.64 C ATOM 1058 CG1 VAL A 217 -3.202 4.095 22.645 1.00 13.18 C ATOM 1059 CG2 VAL A 217 -2.543 5.121 20.480 1.00 13.30 C ATOM 1060 H VAL A 217 -1.728 7.783 21.479 1.00 0.00 H ATOM 1061 N HIS A 218 -2.499 6.983 24.601 1.00 10.33 N ATOM 1062 CA HIS A 218 -2.556 7.035 26.075 1.00 11.81 C ATOM 1063 C HIS A 218 -3.578 8.015 26.532 1.00 12.92 C ATOM 1064 O HIS A 218 -4.400 7.698 27.391 1.00 12.31 O ATOM 1065 CB HIS A 218 -1.153 7.339 26.621 1.00 12.08 C ATOM 1066 CG HIS A 218 -1.064 7.397 28.092 1.00 11.90 C ATOM 1067 ND1 HIS A 218 -0.603 6.339 28.837 1.00 11.03 N ATOM 1068 CD2 HIS A 218 -1.346 8.383 28.968 1.00 11.37 C ATOM 1069 CE1 HIS A 218 -0.638 6.661 30.135 1.00 9.77 C ATOM 1070 NE2 HIS A 218 -1.074 7.893 30.237 1.00 10.94 N ATOM 1071 H HIS A 218 -1.619 7.261 24.121 1.00 0.00 H ATOM 1072 N GLU A 219 -3.556 9.230 25.979 1.00 11.74 N ATOM 1073 CA GLU A 219 -4.486 10.246 26.438 1.00 10.98 C ATOM 1074 C GLU A 219 -5.885 9.951 26.109 1.00 9.92 C ATOM 1075 O GLU A 219 -6.800 10.158 26.965 1.00 11.98 O ATOM 1076 CB GLU A 219 -4.119 11.649 25.927 1.00 10.38 C ATOM 1077 CG GLU A 219 -2.778 12.168 26.386 1.00 10.79 C ATOM 1078 CD GLU A 219 -2.649 12.227 27.882 1.00 13.18 C ATOM 1079 OE1 GLU A 219 -3.696 12.312 28.584 1.00 12.59 O ATOM 1080 OE2 GLU A 219 -1.507 12.152 28.362 1.00 12.93 O ATOM 1081 H GLU A 219 -2.876 9.448 25.223 1.00 0.00 H ATOM 1082 N ILE A 220 -6.117 9.384 24.914 1.00 13.65 N ATOM 1083 CA ILE A 220 -7.480 9.029 24.539 1.00 12.98 C ATOM 1084 C ILE A 220 -8.019 7.981 25.489 1.00 11.79 C ATOM 1085 O ILE A 220 -9.199 8.050 25.962 1.00 11.34 O ATOM 1086 CB ILE A 220 -7.584 8.600 23.067 1.00 12.69 C ATOM 1087 CG1 ILE A 220 -7.344 9.803 22.145 1.00 12.70 C ATOM 1088 CG2 ILE A 220 -8.988 8.031 22.780 1.00 13.91 C ATOM 1089 CD1 ILE A 220 -7.079 9.399 20.693 1.00 16.22 C ATOM 1090 H ILE A 220 -5.329 9.199 24.260 1.00 0.00 H ATOM 1091 N GLY A 221 -7.129 7.064 25.912 1.00 11.89 N ATOM 1092 CA GLY A 221 -7.463 6.170 26.997 1.00 11.71 C ATOM 1093 C GLY A 221 -8.019 6.900 28.213 1.00 13.68 C ATOM 1094 O GLY A 221 -9.162 6.584 28.743 1.00 14.31 O ATOM 1095 H GLY A 221 -6.197 6.999 25.456 1.00 0.00 H ATOM 1096 N HIS A 222 -7.302 7.920 28.664 1.00 12.95 N ATOM 1097 CA HIS A 222 -7.839 8.774 29.725 1.00 11.51 C ATOM 1098 C HIS A 222 -9.134 9.487 29.348 1.00 12.18 C ATOM 1099 O HIS A 222 -10.101 9.558 30.155 1.00 12.19 O ATOM 1100 CB HIS A 222 -6.776 9.822 30.164 1.00 12.14 C ATOM 1101 CG HIS A 222 -5.629 9.270 30.946 1.00 11.10 C ATOM 1102 ND1 HIS A 222 -5.791 8.379 31.953 1.00 13.08 N ATOM 1103 CD2 HIS A 222 -4.306 9.594 30.963 1.00 12.35 C ATOM 1104 CE1 HIS A 222 -4.630 8.103 32.516 1.00 15.34 C ATOM 1105 NE2 HIS A 222 -3.712 8.860 31.968 1.00 12.72 N ATOM 1106 H HIS A 222 -6.361 8.113 28.265 1.00 0.00 H ATOM 1107 N SER A 223 -9.193 10.010 28.139 1.00 10.88 N ATOM 1108 CA SER A 223 -10.412 10.635 27.588 1.00 13.49 C ATOM 1109 C SER A 223 -11.615 9.727 27.651 1.00 12.94 C ATOM 1110 O SER A 223 -12.774 10.199 27.800 1.00 12.66 O ATOM 1111 CB SER A 223 -10.209 11.066 26.128 1.00 14.74 C ATOM 1112 OG SER A 223 -9.290 12.095 26.051 1.00 14.26 O ATOM 1113 HG SER A 223 -9.619 12.869 26.573 1.00 0.00 H ATOM 1114 H SER A 223 -8.340 9.981 27.545 1.00 0.00 H ATOM 1115 N LEU A 224 -11.372 8.426 27.513 1.00 11.17 N ATOM 1116 CA LEU A 224 -12.429 7.444 27.586 1.00 12.10 C ATOM 1117 C LEU A 224 -12.760 6.961 28.978 1.00 15.80 C ATOM 1118 O LEU A 224 -13.761 6.240 29.178 1.00 17.50 O ATOM 1119 CB LEU A 224 -12.107 6.254 26.661 1.00 11.00 C ATOM 1120 CG LEU A 224 -12.016 6.559 25.187 1.00 10.41 C ATOM 1121 CD1 LEU A 224 -11.670 5.355 24.371 1.00 9.86 C ATOM 1122 CD2 LEU A 224 -13.242 7.261 24.616 1.00 10.04 C ATOM 1123 H LEU A 224 -10.396 8.108 27.348 1.00 0.00 H ATOM 1124 N GLY A 225 -11.942 7.324 29.951 1.00 14.82 N ATOM 1125 CA GLY A 225 -12.213 7.006 31.343 1.00 13.06 C ATOM 1126 C GLY A 225 -11.288 5.972 31.962 1.00 14.77 C ATOM 1127 O GLY A 225 -11.554 5.520 33.059 1.00 17.18 O ATOM 1128 H GLY A 225 -11.079 7.853 29.713 1.00 0.00 H ATOM 1129 N LEU A 226 -10.194 5.592 31.290 1.00 13.51 N ATOM 1130 CA LEU A 226 -9.257 4.672 31.866 1.00 14.91 C ATOM 1131 C LEU A 226 -8.209 5.374 32.812 1.00 16.13 C ATOM 1132 O LEU A 226 -7.771 6.476 32.550 1.00 16.73 O ATOM 1133 CB LEU A 226 -8.445 3.945 30.787 1.00 14.70 C ATOM 1134 CG LEU A 226 -9.177 3.042 29.841 1.00 15.82 C ATOM 1135 CD1 LEU A 226 -8.129 2.585 28.863 1.00 15.44 C ATOM 1136 CD2 LEU A 226 -9.821 1.872 30.600 1.00 16.90 C ATOM 1137 H LEU A 226 -10.021 5.970 30.336 1.00 0.00 H ATOM 1138 N GLY A 227 -7.821 4.671 33.854 1.00 15.01 N ATOM 1139 CA GLY A 227 -6.714 5.036 34.714 1.00 17.75 C ATOM 1140 C GLY A 227 -5.460 4.381 34.217 1.00 17.52 C ATOM 1141 O GLY A 227 -5.414 3.951 33.058 1.00 20.28 O ATOM 1142 H GLY A 227 -8.342 3.798 34.074 1.00 0.00 H ATOM 1143 N HIS A 228 -4.448 4.265 35.088 1.00 15.83 N ATOM 1144 CA HIS A 228 -3.168 3.699 34.699 1.00 13.56 C ATOM 1145 C HIS A 228 -3.046 2.218 34.910 1.00 15.63 C ATOM 1146 O HIS A 228 -3.666 1.660 35.753 1.00 17.59 O ATOM 1147 CB HIS A 228 -2.005 4.432 35.405 1.00 13.21 C ATOM 1148 CG HIS A 228 -1.704 5.781 34.837 1.00 10.74 C ATOM 1149 ND1 HIS A 228 -1.242 6.821 35.609 1.00 11.20 N ATOM 1150 CD2 HIS A 228 -1.845 6.277 33.590 1.00 10.97 C ATOM 1151 CE1 HIS A 228 -1.079 7.897 34.860 1.00 10.19 C ATOM 1152 NE2 HIS A 228 -1.413 7.570 33.628 1.00 10.59 N ATOM 1153 H HIS A 228 -4.583 4.588 36.067 1.00 0.00 H ATOM 1154 N SER A 229 -2.208 1.586 34.103 1.00 16.34 N ATOM 1155 CA SER A 229 -1.814 0.171 34.302 1.00 17.32 C ATOM 1156 C SER A 229 -0.454 0.117 35.036 1.00 16.82 C ATOM 1157 O SER A 229 0.334 1.065 34.929 1.00 16.49 O ATOM 1158 CB SER A 229 -1.700 -0.531 32.951 1.00 16.92 C ATOM 1159 OG SER A 229 -1.288 -1.882 33.090 1.00 16.94 O ATOM 1160 HG SER A 229 -1.949 -2.372 33.640 1.00 0.00 H ATOM 1161 H SER A 229 -1.809 2.105 33.295 1.00 0.00 H ATOM 1162 N SER A 230 -0.178 -0.986 35.740 1.00 18.18 N ATOM 1163 CA SER A 230 1.134 -1.226 36.328 1.00 20.56 C ATOM 1164 C SER A 230 1.945 -2.108 35.400 1.00 19.93 C ATOM 1165 O SER A 230 3.090 -2.391 35.651 1.00 20.94 O ATOM 1166 CB SER A 230 1.028 -1.794 37.747 1.00 25.17 C ATOM 1167 OG SER A 230 0.310 -3.008 37.779 1.00 32.20 O ATOM 1168 HG SER A 230 0.769 -3.677 37.212 1.00 0.00 H ATOM 1169 H SER A 230 -0.925 -1.697 35.873 1.00 0.00 H ATOM 1170 N ASP A 231 1.352 -2.510 34.263 1.00 15.98 N ATOM 1171 CA ASP A 231 2.048 -3.350 33.333 1.00 18.65 C ATOM 1172 C ASP A 231 2.780 -2.476 32.321 1.00 18.89 C ATOM 1173 O ASP A 231 2.118 -1.744 31.571 1.00 16.43 O ATOM 1174 CB ASP A 231 1.051 -4.279 32.637 1.00 20.67 C ATOM 1175 CG ASP A 231 1.691 -5.303 31.733 1.00 24.46 C ATOM 1176 OD1 ASP A 231 2.885 -5.226 31.330 1.00 19.97 O ATOM 1177 OD2 ASP A 231 0.921 -6.233 31.400 1.00 28.54 O ATOM 1178 H ASP A 231 0.378 -2.209 34.056 1.00 0.00 H ATOM 1179 N PRO A 232 4.128 -2.615 32.211 1.00 17.88 N ATOM 1180 CA PRO A 232 4.869 -1.753 31.328 1.00 20.43 C ATOM 1181 C PRO A 232 4.610 -1.998 29.841 1.00 19.85 C ATOM 1182 O PRO A 232 5.014 -1.195 28.989 1.00 23.31 O ATOM 1183 CB PRO A 232 6.327 -2.014 31.702 1.00 20.05 C ATOM 1184 CG PRO A 232 6.320 -3.393 32.261 1.00 20.36 C ATOM 1185 CD PRO A 232 5.010 -3.520 32.961 1.00 21.36 C ATOM 1186 N LYS A 233 3.995 -3.117 29.523 1.00 16.47 N ATOM 1187 CA LYS A 233 3.610 -3.420 28.156 1.00 15.30 C ATOM 1188 C LYS A 233 2.347 -2.685 27.762 1.00 15.15 C ATOM 1189 O LYS A 233 2.007 -2.631 26.580 1.00 17.10 O ATOM 1190 CB LYS A 233 3.381 -4.955 27.987 1.00 18.58 C ATOM 1191 CG LYS A 233 4.611 -5.795 28.193 1.00 23.16 C ATOM 1192 CD LYS A 233 4.219 -7.306 28.192 1.00 30.43 C ATOM 1193 CE LYS A 233 3.668 -7.787 29.549 1.00 35.51 C ATOM 1194 NZ LYS A 233 2.181 -8.085 29.530 1.00 37.53 N ATOM 1195 HZ1 LYS A 233 1.659 -7.224 29.270 1.00 0.00 H ATOM 1196 HZ2 LYS A 233 1.987 -8.832 28.833 1.00 0.00 H ATOM 1197 HZ3 LYS A 233 1.880 -8.403 30.474 1.00 0.00 H ATOM 1198 H LYS A 233 3.778 -3.805 30.273 1.00 0.00 H ATOM 1199 N ALA A 234 1.631 -2.174 28.746 1.00 15.86 N ATOM 1200 CA ALA A 234 0.346 -1.545 28.519 1.00 15.01 C ATOM 1201 C ALA A 234 0.515 -0.060 28.134 1.00 16.30 C ATOM 1202 O ALA A 234 1.328 0.650 28.724 1.00 17.26 O ATOM 1203 CB ALA A 234 -0.484 -1.702 29.732 1.00 14.71 C ATOM 1204 H ALA A 234 2.002 -2.225 29.716 1.00 0.00 H ATOM 1205 N VAL A 235 -0.230 0.398 27.117 1.00 14.77 N ATOM 1206 CA VAL A 235 -0.185 1.802 26.722 1.00 13.11 C ATOM 1207 C VAL A 235 -0.579 2.748 27.868 1.00 11.80 C ATOM 1208 O VAL A 235 -0.200 3.927 27.888 1.00 14.36 O ATOM 1209 CB VAL A 235 -1.020 2.032 25.424 1.00 12.50 C ATOM 1210 CG1 VAL A 235 -2.492 2.115 25.697 1.00 15.10 C ATOM 1211 CG2 VAL A 235 -0.509 3.213 24.701 1.00 15.48 C ATOM 1212 H VAL A 235 -0.850 -0.259 26.601 1.00 0.00 H ATOM 1213 N MET A 236 -1.409 2.249 28.773 1.00 10.16 N ATOM 1214 CA MET A 236 -1.844 3.005 29.908 1.00 11.18 C ATOM 1215 C MET A 236 -0.838 2.981 31.090 1.00 14.39 C ATOM 1216 O MET A 236 -1.153 3.399 32.202 1.00 12.81 O ATOM 1217 CB MET A 236 -3.212 2.527 30.344 1.00 11.54 C ATOM 1218 CG MET A 236 -4.332 2.846 29.349 1.00 11.54 C ATOM 1219 SD MET A 236 -4.289 4.507 28.570 1.00 13.41 S ATOM 1220 CE MET A 236 -4.397 5.622 30.006 1.00 11.99 C ATOM 1221 H MET A 236 -1.756 1.276 28.654 1.00 0.00 H ATOM 1222 N PHE A 237 0.378 2.477 30.851 1.00 11.89 N ATOM 1223 CA PHE A 237 1.414 2.569 31.831 1.00 14.03 C ATOM 1224 C PHE A 237 1.796 4.047 31.954 1.00 14.22 C ATOM 1225 O PHE A 237 1.734 4.762 30.937 1.00 16.43 O ATOM 1226 CB PHE A 237 2.631 1.742 31.396 1.00 13.89 C ATOM 1227 CG PHE A 237 3.620 1.538 32.480 1.00 14.93 C ATOM 1228 CD1 PHE A 237 3.342 0.660 33.519 1.00 13.64 C ATOM 1229 CD2 PHE A 237 4.880 2.192 32.455 1.00 15.27 C ATOM 1230 CE1 PHE A 237 4.282 0.433 34.544 1.00 15.09 C ATOM 1231 CE2 PHE A 237 5.803 1.979 33.495 1.00 13.02 C ATOM 1232 CZ PHE A 237 5.497 1.082 34.546 1.00 13.84 C ATOM 1233 H PHE A 237 0.572 2.013 29.941 1.00 0.00 H ATOM 1234 N PRO A 238 2.182 4.520 33.163 1.00 14.50 N ATOM 1235 CA PRO A 238 2.317 5.975 33.443 1.00 12.19 C ATOM 1236 C PRO A 238 3.354 6.666 32.594 1.00 14.31 C ATOM 1237 O PRO A 238 3.171 7.841 32.257 1.00 16.65 O ATOM 1238 CB PRO A 238 2.749 6.005 34.925 1.00 11.93 C ATOM 1239 CG PRO A 238 2.137 4.773 35.497 1.00 15.04 C ATOM 1240 CD PRO A 238 2.279 3.749 34.406 1.00 16.47 C ATOM 1241 N THR A 239 4.383 5.936 32.174 1.00 16.01 N ATOM 1242 CA THR A 239 5.520 6.521 31.474 1.00 14.54 C ATOM 1243 C THR A 239 5.620 6.066 30.043 1.00 13.90 C ATOM 1244 O THR A 239 5.468 4.911 29.747 1.00 14.46 O ATOM 1245 CB THR A 239 6.869 6.233 32.183 1.00 14.93 C ATOM 1246 OG1 THR A 239 7.039 4.806 32.330 1.00 15.26 O ATOM 1247 CG2 THR A 239 6.894 6.888 33.516 1.00 14.56 C ATOM 1248 HG1 THR A 239 7.037 4.381 31.436 1.00 0.00 H ATOM 1249 H THR A 239 4.376 4.911 32.351 1.00 0.00 H ATOM 1250 N TYR A 240 5.967 7.024 29.191 1.00 17.05 N ATOM 1251 CA TYR A 240 6.137 6.871 27.777 1.00 17.44 C ATOM 1252 C TYR A 240 7.175 5.829 27.370 1.00 18.42 C ATOM 1253 O TYR A 240 8.194 5.717 27.971 1.00 19.79 O ATOM 1254 CB TYR A 240 6.498 8.246 27.199 1.00 18.02 C ATOM 1255 CG TYR A 240 6.870 8.274 25.711 1.00 16.00 C ATOM 1256 CD1 TYR A 240 8.156 8.008 25.301 1.00 16.46 C ATOM 1257 CD2 TYR A 240 5.908 8.599 24.730 1.00 15.63 C ATOM 1258 CE1 TYR A 240 8.495 8.000 23.989 1.00 16.77 C ATOM 1259 CE2 TYR A 240 6.253 8.621 23.402 1.00 15.02 C ATOM 1260 CZ TYR A 240 7.528 8.379 23.036 1.00 15.59 C ATOM 1261 OH TYR A 240 7.869 8.433 21.722 1.00 17.44 O ATOM 1262 HH TYR A 240 8.834 8.232 21.624 1.00 0.00 H ATOM 1263 H TYR A 240 6.130 7.972 29.587 1.00 0.00 H ATOM 1264 N ALA A 241 6.876 5.076 26.316 1.00 17.82 N ATOM 1265 CA ALA A 241 7.860 4.248 25.627 1.00 19.75 C ATOM 1266 C ALA A 241 7.560 4.332 24.155 1.00 21.50 C ATOM 1267 O ALA A 241 6.455 4.665 23.772 1.00 21.07 O ATOM 1268 CB ALA A 241 7.806 2.782 26.136 1.00 19.60 C ATOM 1269 H ALA A 241 5.896 5.077 25.967 1.00 0.00 H ATOM 1270 N TYR A 242 8.565 4.057 23.331 1.00 22.12 N ATOM 1271 CA TYR A 242 8.411 4.004 21.909 1.00 22.09 C ATOM 1272 C TYR A 242 8.458 2.610 21.301 1.00 23.15 C ATOM 1273 O TYR A 242 9.341 1.853 21.619 1.00 22.00 O ATOM 1274 CB TYR A 242 9.504 4.837 21.240 1.00 19.23 C ATOM 1275 CG TYR A 242 9.337 4.857 19.744 1.00 21.62 C ATOM 1276 CD1 TYR A 242 8.365 5.646 19.138 1.00 23.15 C ATOM 1277 CD2 TYR A 242 10.156 4.076 18.931 1.00 24.36 C ATOM 1278 CE1 TYR A 242 8.198 5.638 17.783 1.00 25.14 C ATOM 1279 CE2 TYR A 242 10.003 4.075 17.567 1.00 25.39 C ATOM 1280 CZ TYR A 242 9.022 4.869 16.990 1.00 25.78 C ATOM 1281 OH TYR A 242 8.799 4.897 15.628 1.00 28.28 O ATOM 1282 HH TYR A 242 9.622 5.197 15.166 1.00 0.00 H ATOM 1283 H TYR A 242 9.505 3.872 23.737 1.00 0.00 H ATOM 1284 N VAL A 243 7.544 2.322 20.374 1.00 23.00 N ATOM 1285 CA VAL A 243 7.733 1.313 19.312 1.00 25.42 C ATOM 1286 C VAL A 243 7.120 1.821 18.047 1.00 25.72 C ATOM 1287 O VAL A 243 6.198 2.651 18.100 1.00 24.41 O ATOM 1288 CB VAL A 243 7.126 -0.082 19.641 1.00 28.95 C ATOM 1289 CG1 VAL A 243 7.715 -0.653 20.928 1.00 32.74 C ATOM 1290 CG2 VAL A 243 5.637 -0.020 19.731 1.00 28.99 C ATOM 1291 H VAL A 243 6.642 2.840 20.400 1.00 0.00 H ATOM 1292 N ASP A 244 7.629 1.344 16.908 1.00 23.13 N ATOM 1293 CA ASP A 244 7.081 1.644 15.629 1.00 28.15 C ATOM 1294 C ASP A 244 5.604 1.256 15.574 1.00 26.52 C ATOM 1295 O ASP A 244 5.194 0.246 16.146 1.00 27.42 O ATOM 1296 CB ASP A 244 7.903 0.955 14.520 1.00 34.88 C ATOM 1297 CG ASP A 244 7.513 1.416 13.138 1.00 38.22 C ATOM 1298 OD1 ASP A 244 6.531 0.871 12.565 1.00 45.08 O ATOM 1299 OD2 ASP A 244 8.163 2.342 12.620 1.00 47.28 O ATOM 1300 H ASP A 244 8.464 0.725 16.958 1.00 0.00 H ATOM 1301 N ILE A 245 4.818 2.068 14.900 1.00 26.02 N ATOM 1302 CA ILE A 245 3.360 1.867 14.818 1.00 28.82 C ATOM 1303 C ILE A 245 3.010 0.497 14.284 1.00 31.18 C ATOM 1304 O ILE A 245 2.027 -0.119 14.709 1.00 33.19 O ATOM 1305 CB ILE A 245 2.652 2.971 14.002 1.00 29.37 C ATOM 1306 CG1 ILE A 245 1.145 2.682 13.908 1.00 32.33 C ATOM 1307 CG2 ILE A 245 3.254 3.099 12.596 1.00 31.13 C ATOM 1308 CD1 ILE A 245 0.303 3.856 13.493 1.00 33.47 C ATOM 1309 H ILE A 245 5.241 2.881 14.408 1.00 0.00 H ATOM 1310 N ASN A 246 3.820 0.012 13.344 1.00 37.29 N ATOM 1311 CA ASN A 246 3.586 -1.306 12.770 1.00 41.10 C ATOM 1312 C ASN A 246 3.842 -2.436 13.752 1.00 41.00 C ATOM 1313 O ASN A 246 3.289 -3.518 13.602 1.00 47.46 O ATOM 1314 CB ASN A 246 4.394 -1.464 11.485 1.00 44.79 C ATOM 1315 CG ASN A 246 3.869 -0.577 10.355 1.00 49.12 C ATOM 1316 OD1 ASN A 246 2.673 -0.603 10.021 1.00 55.37 O ATOM 1317 ND2 ASN A 246 4.753 0.187 9.745 1.00 52.89 N ATOM 1318 HD22 ASN A 246 5.746 0.181 10.054 1.00 0.00 H ATOM 1319 HD21 ASN A 246 4.457 0.795 8.955 1.00 0.00 H ATOM 1320 H ASN A 246 4.627 0.580 13.017 1.00 0.00 H ATOM 1321 N THR A 247 4.629 -2.173 14.785 1.00 37.01 N ATOM 1322 CA THR A 247 4.947 -3.152 15.847 1.00 34.51 C ATOM 1323 C THR A 247 3.970 -3.015 17.024 1.00 34.21 C ATOM 1324 O THR A 247 3.881 -3.890 17.862 1.00 31.49 O ATOM 1325 CB THR A 247 6.384 -2.922 16.338 1.00 34.77 C ATOM 1326 OG1 THR A 247 7.278 -3.170 15.260 1.00 39.52 O ATOM 1327 CG2 THR A 247 6.786 -3.779 17.467 1.00 37.56 C ATOM 1328 HG1 THR A 247 8.209 -3.025 15.565 1.00 0.00 H ATOM 1329 H THR A 247 5.047 -1.223 14.853 1.00 0.00 H ATOM 1330 N PHE A 248 3.231 -1.907 17.091 1.00 35.54 N ATOM 1331 CA PHE A 248 2.425 -1.606 18.295 1.00 25.79 C ATOM 1332 C PHE A 248 1.257 -2.552 18.420 1.00 27.78 C ATOM 1333 O PHE A 248 0.535 -2.800 17.471 1.00 33.50 O ATOM 1334 CB PHE A 248 1.935 -0.108 18.303 1.00 23.10 C ATOM 1335 CG PHE A 248 1.047 0.211 19.431 1.00 21.51 C ATOM 1336 CD1 PHE A 248 1.569 0.437 20.695 1.00 23.44 C ATOM 1337 CD2 PHE A 248 -0.346 0.205 19.259 1.00 24.31 C ATOM 1338 CE1 PHE A 248 0.708 0.699 21.775 1.00 26.38 C ATOM 1339 CE2 PHE A 248 -1.208 0.484 20.309 1.00 22.78 C ATOM 1340 CZ PHE A 248 -0.690 0.726 21.577 1.00 22.17 C ATOM 1341 H PHE A 248 3.221 -1.247 16.288 1.00 0.00 H ATOM 1342 N ARG A 249 0.996 -2.958 19.664 1.00 26.14 N ATOM 1343 CA ARG A 249 -0.146 -3.774 20.015 1.00 26.58 C ATOM 1344 C ARG A 249 -0.715 -3.252 21.345 1.00 23.30 C ATOM 1345 O ARG A 249 0.018 -3.080 22.311 1.00 25.01 O ATOM 1346 CB ARG A 249 0.320 -5.249 20.099 1.00 31.85 C ATOM 1347 CG ARG A 249 -0.352 -6.198 21.133 1.00 40.13 C ATOM 1348 CD ARG A 249 0.350 -7.561 21.258 1.00 46.03 C ATOM 1349 NE ARG A 249 -0.317 -8.480 22.198 1.00 52.17 N ATOM 1350 CZ ARG A 249 0.067 -9.742 22.464 1.00 57.42 C ATOM 1351 NH1 ARG A 249 1.119 -10.285 21.861 1.00 58.53 N ATOM 1352 NH2 ARG A 249 -0.611 -10.485 23.341 1.00 55.37 N ATOM 1353 HE ARG A 249 -1.156 -8.123 22.698 1.00 0.00 H ATOM 1354 HH12 ARG A 249 1.398 -11.262 22.082 1.00 0.00 H ATOM 1355 HH11 ARG A 249 1.664 -9.733 21.168 1.00 0.00 H ATOM 1356 HH22 ARG A 249 -0.308 -11.459 23.541 1.00 0.00 H ATOM 1357 HH21 ARG A 249 -1.443 -10.090 23.824 1.00 0.00 H ATOM 1358 H ARG A 249 1.648 -2.673 20.422 1.00 0.00 H ATOM 1359 N LEU A 250 -2.010 -3.094 21.422 1.00 18.91 N ATOM 1360 CA LEU A 250 -2.675 -2.899 22.723 1.00 19.05 C ATOM 1361 C LEU A 250 -2.508 -4.161 23.529 1.00 18.89 C ATOM 1362 O LEU A 250 -2.802 -5.279 23.008 1.00 21.80 O ATOM 1363 CB LEU A 250 -4.211 -2.668 22.595 1.00 20.30 C ATOM 1364 CG LEU A 250 -4.795 -1.290 22.537 1.00 22.35 C ATOM 1365 CD1 LEU A 250 -6.307 -1.398 22.672 1.00 22.34 C ATOM 1366 CD2 LEU A 250 -4.217 -0.264 23.521 1.00 19.43 C ATOM 1367 H LEU A 250 -2.580 -3.106 20.552 1.00 0.00 H ATOM 1368 N SER A 251 -2.135 -4.003 24.794 1.00 14.74 N ATOM 1369 CA SER A 251 -1.942 -5.115 25.702 1.00 16.44 C ATOM 1370 C SER A 251 -3.261 -5.678 26.187 1.00 17.41 C ATOM 1371 O SER A 251 -4.308 -5.017 26.143 1.00 16.65 O ATOM 1372 CB SER A 251 -1.141 -4.693 26.958 1.00 17.03 C ATOM 1373 OG SER A 251 -1.977 -3.875 27.814 1.00 23.13 O ATOM 1374 HG SER A 251 -2.264 -3.067 27.319 1.00 0.00 H ATOM 1375 H SER A 251 -1.974 -3.038 25.148 1.00 0.00 H ATOM 1376 N ALA A 252 -3.208 -6.894 26.714 1.00 17.31 N ATOM 1377 CA ALA A 252 -4.403 -7.501 27.227 1.00 16.21 C ATOM 1378 C ALA A 252 -5.020 -6.674 28.389 1.00 15.22 C ATOM 1379 O ALA A 252 -6.257 -6.644 28.590 1.00 20.36 O ATOM 1380 CB ALA A 252 -4.118 -8.917 27.674 1.00 15.71 C ATOM 1381 H ALA A 252 -2.304 -7.406 26.755 1.00 0.00 H ATOM 1382 N ASP A 253 -4.186 -6.020 29.182 1.00 14.00 N ATOM 1383 CA ASP A 253 -4.650 -5.214 30.235 1.00 17.43 C ATOM 1384 C ASP A 253 -5.422 -3.981 29.775 1.00 16.03 C ATOM 1385 O ASP A 253 -6.447 -3.619 30.379 1.00 19.44 O ATOM 1386 CB ASP A 253 -3.488 -4.758 31.124 1.00 22.66 C ATOM 1387 CG ASP A 253 -3.974 -4.102 32.334 1.00 25.19 C ATOM 1388 OD1 ASP A 253 -4.793 -4.746 33.013 1.00 30.40 O ATOM 1389 OD2 ASP A 253 -3.640 -2.926 32.602 1.00 28.21 O ATOM 1390 H ASP A 253 -3.162 -6.105 29.022 1.00 0.00 H ATOM 1391 N ASP A 254 -4.934 -3.335 28.709 1.00 16.78 N ATOM 1392 CA ASP A 254 -5.624 -2.206 28.095 1.00 15.74 C ATOM 1393 C ASP A 254 -6.985 -2.632 27.538 1.00 16.57 C ATOM 1394 O ASP A 254 -7.957 -1.918 27.677 1.00 16.45 O ATOM 1395 CB ASP A 254 -4.825 -1.644 26.945 1.00 15.60 C ATOM 1396 CG ASP A 254 -3.432 -1.139 27.378 1.00 16.19 C ATOM 1397 OD1 ASP A 254 -3.346 -0.341 28.321 1.00 18.75 O ATOM 1398 OD2 ASP A 254 -2.428 -1.512 26.687 1.00 18.26 O ATOM 1399 H ASP A 254 -4.029 -3.650 28.304 1.00 0.00 H ATOM 1400 N ILE A 255 -7.018 -3.821 26.930 1.00 15.64 N ATOM 1401 CA ILE A 255 -8.246 -4.327 26.302 1.00 16.06 C ATOM 1402 C ILE A 255 -9.232 -4.663 27.429 1.00 13.95 C ATOM 1403 O ILE A 255 -10.363 -4.252 27.366 1.00 13.84 O ATOM 1404 CB ILE A 255 -7.953 -5.521 25.396 1.00 16.70 C ATOM 1405 CG1 ILE A 255 -7.156 -5.028 24.219 1.00 16.71 C ATOM 1406 CG2 ILE A 255 -9.230 -6.196 24.939 1.00 16.41 C ATOM 1407 CD1 ILE A 255 -6.380 -6.062 23.478 1.00 17.97 C ATOM 1408 H ILE A 255 -6.155 -4.401 26.901 1.00 0.00 H ATOM 1409 N ARG A 256 -8.756 -5.366 28.459 1.00 14.82 N ATOM 1410 CA ARG A 256 -9.583 -5.627 29.605 1.00 15.51 C ATOM 1411 C ARG A 256 -10.134 -4.348 30.204 1.00 15.52 C ATOM 1412 O ARG A 256 -11.329 -4.256 30.468 1.00 15.86 O ATOM 1413 CB ARG A 256 -8.820 -6.384 30.660 1.00 16.98 C ATOM 1414 CG ARG A 256 -9.583 -6.619 31.957 1.00 19.48 C ATOM 1415 CD ARG A 256 -8.653 -6.637 33.163 1.00 27.28 C ATOM 1416 NE ARG A 256 -7.850 -5.419 33.283 1.00 30.89 N ATOM 1417 CZ ARG A 256 -8.288 -4.267 33.787 1.00 30.34 C ATOM 1418 NH1 ARG A 256 -7.469 -3.260 33.826 1.00 28.61 N ATOM 1419 NH2 ARG A 256 -9.530 -4.121 34.230 1.00 28.52 N ATOM 1420 HE ARG A 256 -6.865 -5.456 32.950 1.00 0.00 H ATOM 1421 HH12 ARG A 256 -7.784 -2.348 34.214 1.00 0.00 H ATOM 1422 HH11 ARG A 256 -6.498 -3.365 33.469 1.00 0.00 H ATOM 1423 HH22 ARG A 256 -9.840 -3.207 34.618 1.00 0.00 H ATOM 1424 HH21 ARG A 256 -10.194 -4.920 34.189 1.00 0.00 H ATOM 1425 H ARG A 256 -7.781 -5.727 28.432 1.00 0.00 H ATOM 1426 N GLY A 257 -9.251 -3.376 30.440 1.00 18.21 N ATOM 1427 CA GLY A 257 -9.663 -2.051 30.936 1.00 16.28 C ATOM 1428 C GLY A 257 -10.788 -1.423 30.120 1.00 16.30 C ATOM 1429 O GLY A 257 -11.872 -1.109 30.638 1.00 14.33 O ATOM 1430 H GLY A 257 -8.242 -3.559 30.269 1.00 0.00 H ATOM 1431 N ILE A 258 -10.540 -1.252 28.824 1.00 15.40 N ATOM 1432 CA ILE A 258 -11.500 -0.511 28.003 1.00 14.96 C ATOM 1433 C ILE A 258 -12.815 -1.275 27.757 1.00 16.06 C ATOM 1434 O ILE A 258 -13.939 -0.670 27.780 1.00 15.72 O ATOM 1435 CB ILE A 258 -10.903 -0.045 26.698 1.00 14.41 C ATOM 1436 CG1 ILE A 258 -11.756 1.137 26.109 1.00 15.92 C ATOM 1437 CG2 ILE A 258 -10.745 -1.183 25.714 1.00 12.70 C ATOM 1438 CD1 ILE A 258 -11.669 2.417 26.940 1.00 16.96 C ATOM 1439 H ILE A 258 -9.674 -1.640 28.399 1.00 0.00 H ATOM 1440 N GLN A 259 -12.716 -2.622 27.648 1.00 15.34 N ATOM 1441 CA GLN A 259 -13.918 -3.420 27.529 1.00 15.12 C ATOM 1442 C GLN A 259 -14.732 -3.455 28.824 1.00 16.60 C ATOM 1443 O GLN A 259 -15.921 -3.721 28.783 1.00 20.16 O ATOM 1444 CB GLN A 259 -13.611 -4.843 27.024 1.00 15.28 C ATOM 1445 CG GLN A 259 -13.038 -4.830 25.630 1.00 12.99 C ATOM 1446 CD GLN A 259 -13.194 -6.152 24.941 1.00 16.29 C ATOM 1447 OE1 GLN A 259 -13.506 -7.191 25.569 1.00 17.90 O ATOM 1448 NE2 GLN A 259 -13.023 -6.131 23.642 1.00 14.09 N ATOM 1449 HE22 GLN A 259 -12.764 -5.243 23.166 1.00 0.00 H ATOM 1450 HE21 GLN A 259 -13.146 -7.002 23.087 1.00 0.00 H ATOM 1451 H GLN A 259 -11.782 -3.080 27.650 1.00 0.00 H ATOM 1452 N SER A 260 -14.099 -3.202 29.965 1.00 15.89 N ATOM 1453 CA SER A 260 -14.855 -3.144 31.235 1.00 17.78 C ATOM 1454 C SER A 260 -15.754 -1.927 31.281 1.00 19.53 C ATOM 1455 O SER A 260 -16.766 -1.899 31.987 1.00 19.39 O ATOM 1456 CB SER A 260 -13.926 -3.181 32.455 1.00 20.69 C ATOM 1457 OG SER A 260 -13.162 -1.966 32.566 1.00 20.36 O ATOM 1458 HG SER A 260 -12.610 -1.849 31.752 1.00 0.00 H ATOM 1459 H SER A 260 -13.071 -3.045 29.965 1.00 0.00 H ATOM 1460 N LEU A 261 -15.364 -0.875 30.560 1.00 16.79 N ATOM 1461 CA LEU A 261 -16.177 0.342 30.460 1.00 15.69 C ATOM 1462 C LEU A 261 -17.219 0.346 29.350 1.00 17.71 C ATOM 1463 O LEU A 261 -18.312 0.928 29.538 1.00 23.58 O ATOM 1464 CB LEU A 261 -15.264 1.548 30.266 1.00 15.54 C ATOM 1465 CG LEU A 261 -14.218 1.757 31.353 1.00 16.31 C ATOM 1466 CD1 LEU A 261 -13.504 3.046 31.067 1.00 16.30 C ATOM 1467 CD2 LEU A 261 -14.846 1.764 32.747 1.00 17.47 C ATOM 1468 H LEU A 261 -14.457 -0.919 30.054 1.00 0.00 H ATOM 1469 N TYR A 262 -16.873 -0.208 28.199 1.00 16.75 N ATOM 1470 CA TYR A 262 -17.738 -0.115 26.990 1.00 18.01 C ATOM 1471 C TYR A 262 -18.165 -1.435 26.385 1.00 20.32 C ATOM 1472 O TYR A 262 -19.291 -1.581 25.935 1.00 25.67 O ATOM 1473 CB TYR A 262 -17.036 0.708 25.910 1.00 12.98 C ATOM 1474 CG TYR A 262 -16.798 2.102 26.399 1.00 12.83 C ATOM 1475 CD1 TYR A 262 -17.814 3.016 26.474 1.00 15.94 C ATOM 1476 CD2 TYR A 262 -15.540 2.458 26.945 1.00 16.48 C ATOM 1477 CE1 TYR A 262 -17.610 4.306 26.989 1.00 18.54 C ATOM 1478 CE2 TYR A 262 -15.333 3.740 27.463 1.00 16.15 C ATOM 1479 CZ TYR A 262 -16.367 4.655 27.477 1.00 16.83 C ATOM 1480 OH TYR A 262 -16.173 5.908 27.982 1.00 19.27 O ATOM 1481 HH TYR A 262 -15.903 5.841 28.932 1.00 0.00 H ATOM 1482 H TYR A 262 -15.972 -0.723 28.137 1.00 0.00 H ATOM 1483 N GLY A 263 -17.280 -2.404 26.412 1.00 26.29 N ATOM 1484 CA GLY A 263 -17.652 -3.768 26.001 1.00 35.31 C ATOM 1485 C GLY A 263 -16.726 -4.244 24.952 1.00 34.56 C ATOM 1486 O GLY A 263 -17.011 -5.246 24.385 1.00 44.81 O ATOM 1487 OXT GLY A 263 -15.740 -3.634 24.615 1.00 48.83 O ATOM 1488 H GLY A 263 -16.308 -2.207 26.726 1.00 0.00 H TER 1489 GLY A 263 HETATM 1490 ZN ZN A 1 -1.707 8.728 31.955 1.00 12.83 ZN HETATM 1491 ZN ZN A 2 -4.616 21.241 29.927 1.00 12.68 ZN HETATM 1492 CA CA A 3 6.447 18.806 29.575 1.00 15.06 CA HETATM 1493 CA CA A 4 -15.086 17.948 25.799 1.00 15.06 CA HETATM 1494 CA CA A 5 6.753 21.599 20.098 1.00 16.67 CA HETATM 1495 O HOH 6 0.286 -10.226 29.330 1.00 12.94 O HETATM 1496 O HOH 7 -5.762 19.078 7.853 1.00 18.19 O HETATM 1497 O HOH 8 -10.496 26.830 18.569 1.00 47.65 O HETATM 1498 O HOH 9 -11.696 25.424 19.777 1.00 15.56 O HETATM 1499 O HOH 10 2.896 -10.676 20.342 1.00 43.89 O HETATM 1500 O HOH 11 -9.179 22.096 35.470 1.00 30.64 O HETATM 1501 O HOH 12 0.698 -12.820 24.422 1.00 28.05 O HETATM 1502 O HOH 13 5.590 26.209 19.163 1.00 22.92 O HETATM 1503 O HOH 14 -16.379 -4.757 22.040 1.00 27.58 O HETATM 1504 O HOH 15 1.114 24.941 19.247 1.00 20.38 O HETATM 1505 O HOH 16 -3.550 -4.236 35.110 1.00 48.46 O HETATM 1506 O HOH 17 7.498 2.798 30.920 1.00 34.00 O HETATM 1507 O HOH 18 5.257 12.368 38.802 1.00 41.83 O HETATM 1508 O HOH 19 -8.783 20.025 37.275 1.00 37.06 O HETATM 1509 O HOH 20 10.373 15.784 25.729 1.00 29.39 O HETATM 1510 O HOH 21 3.565 -13.292 29.491 1.00 20.07 O HETATM 1511 O HOH 22 0.908 20.976 11.970 1.00 27.13 O HETATM 1512 O HOH 23 -21.192 -2.934 24.906 1.00 35.86 O HETATM 1513 O HOH 24 -10.650 23.745 15.244 1.00 34.03 O HETATM 1514 O HOH 25 -19.445 16.488 24.708 1.00 19.40 O HETATM 1515 O HOH 26 7.359 27.128 28.256 1.00 34.58 O HETATM 1516 O HOH 27 14.094 14.201 15.468 1.00 46.45 O HETATM 1517 O HOH 28 -11.532 0.749 14.263 1.00 27.41 O HETATM 1518 O HOH 29 5.551 -14.479 25.838 1.00 54.13 O HETATM 1519 O HOH 30 -7.703 18.302 8.983 1.00 42.26 O HETATM 1520 O HOH 31 8.302 23.704 16.627 1.00 29.22 O HETATM 1521 O HOH 32 10.295 10.825 13.729 1.00 32.70 O HETATM 1522 O HOH 33 10.189 3.657 13.783 1.00 41.61 O HETATM 1523 O HOH 34 -12.411 25.287 11.029 1.00 27.44 O HETATM 1524 O HOH 35 -7.579 12.973 12.481 1.00 21.05 O HETATM 1525 O HOH 36 5.515 15.801 10.103 1.00 22.92 O HETATM 1526 O HOH 37 -14.580 3.589 36.802 1.00 37.27 O HETATM 1527 O HOH 38 10.432 8.599 21.033 1.00 21.16 O HETATM 1528 O HOH 39 -20.234 9.052 10.649 1.00 32.53 O HETATM 1529 O HOH 40 -8.035 11.971 33.381 1.00 21.75 O HETATM 1530 O HOH 41 -17.147 17.564 32.552 1.00 39.43 O HETATM 1531 O HOH 42 -1.261 6.518 38.273 1.00 21.53 O HETATM 1532 O HOH 43 -15.984 19.402 24.159 1.00 13.15 O HETATM 1533 O HOH 44 -24.257 13.734 21.499 1.00 37.23 O HETATM 1534 O HOH 45 9.933 15.824 23.024 1.00 17.80 O HETATM 1535 O HOH 46 0.145 -1.696 24.633 1.00 21.81 O HETATM 1536 O HOH 47 8.353 16.441 13.943 1.00 14.81 O HETATM 1537 O HOH 48 -3.703 -3.485 19.330 1.00 44.27 O HETATM 1538 O HOH 49 -5.568 15.009 6.975 1.00 31.68 O HETATM 1539 O HOH 50 -21.165 12.527 19.703 1.00 30.45 O HETATM 1540 O HOH 51 -6.373 -1.930 18.549 1.00 18.43 O HETATM 1541 O HOH 52 -17.173 17.145 26.330 1.00 12.35 O HETATM 1542 O HOH 53 -24.590 4.967 21.695 1.00 50.94 O HETATM 1543 O HOH 54 12.840 21.422 30.288 1.00 34.87 O HETATM 1544 O HOH 55 4.877 26.254 33.286 1.00 31.67 O HETATM 1545 O HOH 56 -2.865 26.568 22.058 1.00 32.18 O HETATM 1546 O HOH 57 -9.934 21.878 26.248 1.00 14.88 O HETATM 1547 O HOH 58 -2.779 -11.733 26.460 1.00 7.02 O HETATM 1548 O HOH 59 -14.834 16.617 9.469 1.00 16.18 O HETATM 1549 O HOH 60 -10.073 6.959 13.665 1.00 20.01 O HETATM 1550 O HOH 61 11.316 3.219 24.475 1.00 35.75 O HETATM 1551 O HOH 62 -13.202 -6.251 30.645 1.00 19.60 O HETATM 1552 O HOH 63 1.858 9.400 34.095 1.00 16.65 O HETATM 1553 O HOH 64 -20.149 16.593 17.751 1.00 25.46 O HETATM 1554 O HOH 65 -21.843 3.840 27.673 1.00 34.65 O HETATM 1555 O HOH 66 11.772 14.230 31.498 1.00 25.37 O HETATM 1556 O HOH 67 1.238 4.234 9.580 1.00 42.43 O HETATM 1557 O HOH 68 10.704 20.820 22.121 1.00 21.87 O HETATM 1558 O HOH 69 -9.860 22.346 12.135 1.00 46.61 O HETATM 1559 O HOH 70 -19.962 19.327 26.316 1.00 38.37 O HETATM 1560 O HOH 71 -0.507 18.146 33.863 1.00 15.61 O HETATM 1561 O HOH 72 -9.849 9.483 32.914 1.00 20.57 O HETATM 1562 O HOH 73 -14.497 25.084 15.381 1.00 18.17 O HETATM 1563 O HOH 74 -9.773 5.581 11.223 1.00 38.41 O HETATM 1564 O HOH 75 5.121 23.605 28.850 1.00 15.73 O HETATM 1565 O HOH 76 -3.771 29.141 32.747 1.00 16.81 O HETATM 1566 O HOH 77 -21.065 0.503 26.706 1.00 32.41 O HETATM 1567 O HOH 78 9.672 4.516 33.185 1.00 22.23 O HETATM 1568 O HOH 79 9.454 3.574 29.231 1.00 31.04 O HETATM 1569 O HOH 80 -23.888 6.567 19.722 1.00 47.69 O HETATM 1570 O HOH 81 -10.306 18.152 13.525 1.00 16.46 O HETATM 1571 O HOH 82 -1.380 -6.642 29.857 1.00 38.84 O HETATM 1572 O HOH 83 -9.606 29.247 30.670 1.00 42.79 O HETATM 1573 O HOH 84 -11.911 -5.405 34.972 1.00 34.67 O HETATM 1574 O HOH 85 -7.431 -8.768 27.160 1.00 27.01 O HETATM 1575 O HOH 86 1.594 10.712 11.454 1.00 22.90 O HETATM 1576 O HOH 87 7.499 14.232 12.528 1.00 26.19 O HETATM 1577 O HOH 88 8.028 18.092 10.655 1.00 20.60 O HETATM 1578 O HOH 89 8.855 28.027 22.535 1.00 46.19 O HETATM 1579 O HOH 90 0.042 20.728 36.475 1.00 16.18 O HETATM 1580 O HOH 91 -3.022 25.160 32.438 1.00 14.04 O HETATM 1581 O HOH 92 -9.007 19.743 12.239 1.00 38.18 O HETATM 1582 O HOH 93 4.720 4.783 16.920 1.00 22.47 O HETATM 1583 O HOH 94 2.793 28.542 20.678 1.00 50.37 O HETATM 1584 O HOH 95 -7.275 28.642 35.104 1.00 49.86 O HETATM 1585 O HOH 96 -3.203 -8.103 22.727 1.00 34.21 O HETATM 1586 O HOH 97 -1.463 18.594 36.372 1.00 14.44 O HETATM 1587 O HOH 98 -4.595 -0.750 30.975 1.00 16.69 O HETATM 1588 O HOH 99 -4.022 12.775 7.258 1.00 23.40 O HETATM 1589 O HOH 100 11.402 23.918 28.356 1.00 32.03 O HETATM 1590 O HOH 101 3.035 10.259 15.646 1.00 15.45 O HETATM 1591 O HOH 102 1.076 -5.358 36.262 1.00 42.91 O HETATM 1592 O HOH 103 -5.173 -0.974 34.103 1.00 30.93 O HETATM 1593 O HOH 104 -4.229 12.805 32.003 1.00 13.68 O HETATM 1594 O HOH 105 1.289 21.239 7.179 1.00 32.40 O HETATM 1595 O HOH 106 -10.631 13.937 34.633 1.00 25.66 O HETATM 1596 O HOH 107 -20.873 2.050 28.608 1.00 32.46 O HETATM 1597 O HOH 108 -0.822 25.930 17.068 1.00 21.30 O HETATM 1598 O HOH 109 -19.568 0.851 32.216 1.00 31.26 O HETATM 1599 O HOH 110 2.743 13.713 5.111 1.00 48.29 O HETATM 1600 O HOH 111 -8.545 1.936 34.744 1.00 29.74 O HETATM 1601 O HOH 112 -14.260 4.766 14.640 1.00 22.59 O HETATM 1602 O HOH 113 -6.347 25.537 26.172 1.00 40.19 O HETATM 1603 O HOH 114 -10.014 26.440 16.494 1.00 43.33 O HETATM 1604 O HOH 115 0.992 24.654 12.878 1.00 52.27 O HETATM 1605 O HOH 116 5.734 5.047 14.407 1.00 39.86 O HETATM 1606 O HOH 117 7.024 25.042 11.992 1.00 29.70 O HETATM 1607 O HOH 118 5.907 1.638 29.308 1.00 22.92 O HETATM 1608 O HOH 119 -15.492 12.847 9.476 1.00 51.05 O HETATM 1609 O HOH 120 -11.904 5.291 14.824 1.00 30.46 O HETATM 1610 O HOH 121 -16.035 22.413 31.392 1.00 21.11 O HETATM 1611 O HOH 122 -5.014 5.696 37.665 1.00 36.84 O HETATM 1612 O HOH 123 -21.439 1.552 17.310 1.00 36.34 O HETATM 1613 O HOH 124 10.278 7.884 28.514 1.00 46.69 O HETATM 1614 O HOH 125 -3.159 25.629 14.327 1.00 21.19 O HETATM 1615 O HOH 126 -2.515 -2.832 36.423 1.00 33.77 O HETATM 1616 O HOH 127 2.169 10.059 9.014 1.00 38.57 O HETATM 1617 O HOH 128 -13.354 10.674 10.845 1.00 35.23 O HETATM 1618 O HOH 129 7.741 12.666 35.582 1.00 42.97 O HETATM 1619 O HOH 130 -22.889 0.645 19.346 1.00 35.43 O HETATM 1620 O HOH 131 10.947 23.448 24.178 1.00 47.93 O HETATM 1621 O HOH 132 -11.324 9.154 13.174 1.00 44.66 O HETATM 1622 O HOH 133 -13.014 -8.021 28.533 1.00 33.25 O HETATM 1623 O HOH 134 -14.525 15.438 33.432 1.00 38.03 O HETATM 1624 O HOH 135 0.234 23.500 10.955 1.00 31.80 O HETATM 1625 O HOH 136 2.127 30.023 30.251 1.00 34.32 O HETATM 1626 O HOH 137 7.248 23.963 19.736 1.00 17.44 O HETATM 1627 O HOH 138 9.284 21.786 20.121 1.00 14.03 O HETATM 1628 O HOH 139 -12.344 25.199 13.941 1.00 26.26 O HETATM 1629 O HOH 140 -5.821 10.966 8.535 1.00 26.30 O HETATM 1630 O HOH 141 -4.145 1.858 14.363 1.00 31.37 O HETATM 1631 O HOH 142 18.263 -10.062 13.467 1.00 38.76 O HETATM 1632 O HOH 143 -3.284 27.046 34.443 1.00 29.35 O HETATM 1633 O HOH 144 -17.757 25.056 18.405 1.00 46.49 O HETATM 1634 O HOH 145 -24.469 3.714 26.895 1.00 39.46 O HETATM 1635 O HOH 146 12.475 15.332 22.155 1.00 36.17 O HETATM 1636 O HOH 147 -8.100 14.554 7.934 1.00 35.65 O HETATM 1637 O HOH 148 -13.767 -3.439 15.474 1.00 36.48 O HETATM 1638 O HOH 149 -10.935 2.500 34.760 1.00 41.39 O HETATM 1639 O HOH 150 -8.238 8.513 35.455 1.00 41.54 O HETATM 1640 O HOH 151 8.039 25.420 33.031 1.00 48.40 O HETATM 1641 O HOH 152 2.145 8.763 13.253 1.00 14.18 O HETATM 1642 O HOH 153 2.969 26.694 18.609 1.00 26.78 O HETATM 1643 O HOH 154 -2.650 26.708 36.734 1.00 31.71 O HETATM 1644 O HOH 155 -1.606 -5.917 34.669 1.00 62.83 O HETATM 1645 O HOH 156 -9.637 17.642 36.918 1.00 42.94 O HETATM 1646 O HOH 157 -15.222 13.751 7.897 1.00 48.40 O HETATM 1647 O HOH 158 -8.961 24.811 28.820 1.00 41.43 O HETATM 1648 O HOH 159 -5.273 8.284 35.828 1.00 34.27 O HETATM 1649 O HOH 160 -7.978 12.552 9.491 1.00 23.15 O HETATM 1650 O HOH 161 -12.562 3.400 36.192 1.00 50.82 O HETATM 1651 O HOH 162 -5.437 11.640 34.290 1.00 30.77 O HETATM 1652 O HOH 163 7.190 27.723 17.611 1.00 42.66 O HETATM 1653 O HOH 164 -4.267 8.568 4.924 1.00 50.37 O HETATM 1654 O HOH 165 -7.716 2.006 36.891 1.00 45.27 O HETATM 1655 O HOH 166 -13.104 -6.788 33.181 1.00 30.10 O HETATM 1656 O HOH 167 -3.675 11.279 4.859 1.00 55.21 O HETATM 1657 O HOH 168 10.455 23.839 18.158 1.00 29.33 O HETATM 1658 O HOH 169 -12.074 9.497 34.317 1.00 25.35 O HETATM 1659 O HOH 170 -20.321 19.083 24.002 1.00 54.59 O HETATM 1660 O HOH 171 -10.306 11.238 9.369 1.00 37.50 O HETATM 1661 O HOH 172 -21.881 18.079 21.237 1.00 50.84 O HETATM 1662 O HOH 173 -24.818 10.748 13.919 1.00 55.70 O HETATM 1663 O HOH 174 11.315 4.208 31.113 1.00 39.76 O HETATM 1664 O HOH 175 -2.420 0.528 14.711 1.00 43.81 O HETATM 1665 O HOH 176 -22.707 13.448 17.905 1.00 56.53 O HETATM 1666 O HOH 177 10.609 25.826 30.483 1.00 43.34 O HETATM 1667 N2 UNN A 178 11.777 1.421 22.457 1.00 -0.29 N HETATM 1668 C22 UNN A 178 12.177 1.276 21.166 1.00 0.18 C HETATM 1669 O7 UNN A 178 13.133 1.911 20.738 1.00 -0.40 O HETATM 1670 C21 UNN A 178 11.573 0.149 20.312 1.00 0.04 C HETATM 1671 C20 UNN A 178 12.438 -0.275 19.121 1.00 -0.03 C HETATM 1672 C19 UNN A 178 12.220 -1.748 18.802 1.00 -0.04 C HETATM 1673 C18 UNN A 178 12.898 -2.596 19.868 1.00 0.02 C HETATM 1674 N1 UNN A 178 12.849 -4.014 19.517 1.00 -0.34 N HETATM 1675 C33 UNN A 178 13.867 -4.668 18.930 1.00 0.05 C HETATM 1676 C42 UNN A 178 13.504 -6.013 18.760 1.00 -0.05 C HETATM 1677 C41 UNN A 178 14.414 -6.914 18.162 1.00 -0.01 C HETATM 1678 C40 UNN A 178 14.099 -8.267 17.969 1.00 -0.02 C HETATM 1679 C39 UNN A 178 15.015 -9.127 17.368 1.00 0.07 C HETATM 1680 S4 UNN A 178 14.647 -10.668 17.139 1.00 -0.15 S HETATM 1681 O16 UNN A 178 13.198 -10.751 16.373 1.00 -0.48 O HETATM 1682 O15 UNN A 178 14.593 -11.410 18.597 1.00 -0.48 O HETATM 1683 O14 UNN A 178 15.748 -11.425 16.183 1.00 -0.48 O HETATM 1684 C38 UNN A 178 16.252 -8.648 16.961 1.00 0.00 C HETATM 1685 C37 UNN A 178 16.604 -7.314 17.136 1.00 0.08 C HETATM 1686 S3 UNN A 178 18.064 -6.869 16.616 1.00 -0.15 S HETATM 1687 O13 UNN A 178 18.910 -8.116 15.967 1.00 -0.48 O HETATM 1688 O12 UNN A 178 17.903 -5.751 15.424 1.00 -0.48 O HETATM 1689 O11 UNN A 178 18.944 -6.270 17.859 1.00 -0.48 O HETATM 1690 C36 UNN A 178 15.680 -6.439 17.740 1.00 0.05 C HETATM 1691 C35 UNN A 178 16.008 -5.088 17.931 1.00 0.01 C HETATM 1692 C34 UNN A 178 15.115 -4.213 18.516 1.00 0.01 C HETATM 1693 H33 UNN A 178 15.386 -3.172 18.653 1.00 0.09 H HETATM 1694 H32 UNN A 178 16.979 -4.725 17.614 1.00 0.11 H HETATM 1695 H31 UNN A 178 16.958 -9.327 16.497 1.00 0.07 H HETATM 1696 H30 UNN A 178 13.136 -8.646 18.290 1.00 0.07 H HETATM 1697 C43 UNN A 178 12.118 -6.302 19.278 1.00 -0.01 C HETATM 1698 C44 UNN A 178 11.148 -6.734 18.172 1.00 -0.09 C HETATM 1699 H34 UNN A 178 11.381 -7.763 17.861 1.00 0.01 H HETATM 1700 H35 UNN A 178 11.251 -6.059 17.310 1.00 0.01 H HETATM 1701 H36 UNN A 178 10.116 -6.690 18.551 1.00 0.01 H HETATM 1702 C45 UNN A 178 12.144 -7.256 20.487 1.00 -0.09 C HETATM 1703 H37 UNN A 178 12.859 -6.882 21.234 1.00 0.01 H HETATM 1704 H38 UNN A 178 12.451 -8.259 20.156 1.00 0.01 H HETATM 1705 H39 UNN A 178 11.140 -7.309 20.934 1.00 0.01 H HETATM 1706 C17 UNN A 178 11.840 -4.896 19.739 1.00 0.02 C HETATM 1707 C16 UNN A 178 10.570 -4.435 20.387 1.00 0.09 C HETATM 1708 C15 UNN A 178 9.404 -5.274 20.650 1.00 0.07 C HETATM 1709 C14 UNN A 178 8.234 -4.737 21.025 1.00 0.09 C HETATM 1710 C13 UNN A 178 7.217 -5.702 21.378 1.00 0.08 C HETATM 1711 C12 UNN A 178 6.353 -5.168 22.265 1.00 0.08 C HETATM 1712 C11 UNN A 178 5.205 -5.749 23.011 1.00 0.11 C HETATM 1713 N3 UNN A 178 4.121 -5.039 23.374 1.00 -0.27 N HETATM 1714 C46 UNN A 178 3.876 -3.602 23.124 1.00 0.06 C HETATM 1715 C47 UNN A 178 3.187 -3.388 21.826 1.00 -0.04 C HETATM 1716 H54 UNN A 178 3.021 -2.312 21.672 1.00 0.03 H HETATM 1717 H55 UNN A 178 2.219 -3.911 21.834 1.00 0.03 H HETATM 1718 H56 UNN A 178 3.811 -3.783 21.010 1.00 0.03 H HETATM 1719 H52 UNN A 178 4.840 -3.072 23.109 1.00 0.06 H HETATM 1720 H53 UNN A 178 3.248 -3.200 23.933 1.00 0.06 H HETATM 1721 C48 UNN A 178 3.279 -5.883 24.033 1.00 0.14 C HETATM 1722 C7 UNN A 178 3.881 -7.160 24.130 1.00 0.02 C HETATM 1723 C8 UNN A 178 5.236 -7.179 23.482 1.00 0.03 C HETATM 1724 C10 UNN A 178 6.365 -7.429 24.503 1.00 -0.08 C HETATM 1725 H46 UNN A 178 7.335 -7.434 23.983 1.00 0.01 H HETATM 1726 H47 UNN A 178 6.207 -8.401 24.994 1.00 0.01 H HETATM 1727 H48 UNN A 178 6.359 -6.630 25.259 1.00 0.01 H HETATM 1728 C9 UNN A 178 5.218 -8.183 22.294 1.00 -0.08 C HETATM 1729 H49 UNN A 178 4.387 -7.935 21.617 1.00 0.01 H HETATM 1730 H50 UNN A 178 5.085 -9.205 22.679 1.00 0.01 H HETATM 1731 H51 UNN A 178 6.169 -8.119 21.745 1.00 0.01 H HETATM 1732 C6 UNN A 178 3.232 -8.245 24.773 1.00 0.04 C HETATM 1733 C1 UNN A 178 1.938 -8.013 25.338 1.00 0.07 C HETATM 1734 C2 UNN A 178 1.250 -9.077 25.978 1.00 0.10 C HETATM 1735 S1 UNN A 178 -0.228 -8.857 26.648 1.00 -0.15 S HETATM 1736 O2 UNN A 178 -1.226 -8.458 25.656 1.00 -0.48 O HETATM 1737 O3 UNN A 178 -0.013 -7.875 27.675 1.00 -0.48 O HETATM 1738 O1 UNN A 178 -0.701 -10.251 27.446 1.00 -0.48 O HETATM 1739 C3 UNN A 178 1.847 -10.346 26.071 1.00 0.02 C HETATM 1740 C4 UNN A 178 3.110 -10.595 25.530 1.00 0.09 C HETATM 1741 C5 UNN A 178 3.800 -9.545 24.878 1.00 0.01 C HETATM 1742 H60 UNN A 178 4.778 -9.735 24.451 1.00 0.08 H HETATM 1743 S2 UNN A 178 3.787 -12.106 25.714 1.00 -0.15 S HETATM 1744 O4 UNN A 178 4.884 -12.228 24.765 1.00 -0.48 O HETATM 1745 O5 UNN A 178 2.802 -13.134 25.588 1.00 -0.48 O HETATM 1746 O6 UNN A 178 4.270 -12.262 27.282 1.00 -0.48 O HETATM 1747 H59 UNN A 178 1.317 -11.147 26.573 1.00 0.08 H HETATM 1748 C50 UNN A 178 1.341 -6.728 25.214 1.00 0.02 C HETATM 1749 C49 UNN A 178 2.005 -5.677 24.582 1.00 0.04 C HETATM 1750 H57 UNN A 178 1.537 -4.702 24.515 1.00 0.10 H HETATM 1751 H58 UNN A 178 0.349 -6.562 25.619 1.00 0.11 H HETATM 1752 H45 UNN A 178 6.529 -4.114 22.474 1.00 0.15 H HETATM 1753 H44 UNN A 178 7.157 -6.715 20.984 1.00 0.14 H HETATM 1754 H43 UNN A 178 8.064 -3.662 21.061 1.00 0.12 H HETATM 1755 H42 UNN A 178 9.486 -6.354 20.540 1.00 0.19 H HETATM 1756 H40 UNN A 178 10.202 -3.613 19.755 1.00 0.11 H HETATM 1757 H41 UNN A 178 10.870 -4.037 21.368 1.00 0.11 H HETATM 1758 H28 UNN A 178 12.384 -2.445 20.829 1.00 0.04 H HETATM 1759 H29 UNN A 178 13.949 -2.284 19.961 1.00 0.04 H HETATM 1760 H26 UNN A 178 12.653 -1.979 17.817 1.00 0.03 H HETATM 1761 H27 UNN A 178 11.142 -1.966 18.789 1.00 0.03 H HETATM 1762 H24 UNN A 178 13.498 -0.111 19.366 1.00 0.03 H HETATM 1763 H25 UNN A 178 12.167 0.330 18.243 1.00 0.03 H HETATM 1764 H22 UNN A 178 10.601 0.492 19.927 1.00 0.05 H HETATM 1765 H23 UNN A 178 11.422 -0.729 20.957 1.00 0.05 H HETATM 1766 C23 UNN A 178 11.683 0.252 23.367 1.00 0.03 C HETATM 1767 C24 UNN A 178 10.328 -0.454 23.457 1.00 -0.01 C HETATM 1768 C25 UNN A 178 10.320 -1.587 24.482 1.00 0.05 C HETATM 1769 O8 UNN A 178 9.236 -2.496 24.221 1.00 -0.38 O HETATM 1770 C26 UNN A 178 7.918 -1.945 24.398 1.00 0.07 C HETATM 1771 C27 UNN A 178 7.307 -2.371 25.727 1.00 0.07 C HETATM 1772 O9 UNN A 178 8.255 -2.049 26.732 1.00 -0.38 O HETATM 1773 C28 UNN A 178 7.787 -1.124 27.685 1.00 0.07 C HETATM 1774 C29 UNN A 178 8.939 -0.682 28.562 1.00 0.07 C HETATM 1775 O10 UNN A 178 9.323 -1.753 29.440 1.00 -0.38 O HETATM 1776 C30 UNN A 178 10.712 -2.172 29.386 1.00 0.05 C HETATM 1777 C31 UNN A 178 11.374 -2.141 30.759 1.00 -0.01 C HETATM 1778 C32 UNN A 178 10.622 -2.895 31.832 1.00 0.03 C HETATM 1779 N4 UNN A 178 11.188 -3.415 32.878 1.00 -0.28 N HETATM 1780 C35 UNN A 178 10.827 -4.573 33.400 1.00 0.20 C HETATM 1781 C31 UNN A 178 11.727 -5.339 34.387 1.00 0.13 C HETATM 1782 N3 UNN A 178 10.730 -5.803 35.311 1.00 -0.26 N HETATM 1783 C30 UNN A 178 10.188 -5.023 36.236 1.00 0.20 C HETATM 1784 C26 UNN A 178 9.104 -5.628 36.967 1.00 0.13 C HETATM 1785 N2 UNN A 178 8.844 -5.227 38.345 1.00 -0.27 N HETATM 1786 C25 UNN A 178 9.194 -5.999 39.359 1.00 0.19 C HETATM 1787 O4 UNN A 178 9.764 -7.036 39.197 1.00 -0.40 O HETATM 1788 C17 UNN A 178 8.751 -5.591 40.728 1.00 0.08 C HETATM 1789 C16 UNN A 178 9.898 -5.679 41.681 1.00 0.04 C HETATM 1790 C15 UNN A 178 10.915 -4.584 41.554 1.00 0.14 C HETATM 1791 O1 UNN A 178 12.216 -4.729 41.878 1.00 -0.17 O HETATM 1792 N1 UNN A 178 12.942 -3.612 41.756 1.00 -0.15 N HETATM 1793 C13 UNN A 178 12.096 -2.689 41.331 1.00 0.04 C HETATM 1794 C14 UNN A 178 10.785 -3.242 41.230 1.00 -0.03 C HETATM 1795 H64 UNN A 178 9.871 -2.718 40.955 1.00 0.03 H HETATM 1796 C12 UNN A 178 12.552 -1.300 41.132 1.00 -0.01 C HETATM 1797 C11 UNN A 178 11.707 -0.330 40.742 1.00 -0.05 C HETATM 1798 C10 UNN A 178 12.139 0.974 40.603 1.00 -0.05 C HETATM 1799 C7 UNN A 178 13.466 1.304 40.859 1.00 -0.02 C HETATM 1800 C8 UNN A 178 14.376 0.315 41.233 1.00 -0.05 C HETATM 1801 C9 UNN A 178 13.941 -0.994 41.400 1.00 -0.05 C HETATM 1802 H68 UNN A 178 14.627 -1.769 41.724 1.00 0.06 H HETATM 1803 H67 UNN A 178 15.418 0.567 41.393 1.00 0.06 H HETATM 1804 C6 UNN A 178 13.898 2.694 40.636 1.00 -0.02 C HETATM 1805 C2 UNN A 178 15.281 2.971 40.481 1.00 -0.04 C HETATM 1806 C1 UNN A 178 15.679 4.270 40.261 1.00 0.04 C HETATM 1807 CL1 UNN A 178 17.422 4.564 40.058 1.00 -0.07 CL HETATM 1808 C3 UNN A 178 14.769 5.286 40.204 1.00 -0.05 C HETATM 1809 C4 UNN A 178 13.433 5.020 40.352 1.00 -0.06 C HETATM 1810 C5 UNN A 178 12.992 3.735 40.533 1.00 -0.05 C HETATM 1811 H72 UNN A 178 11.929 3.533 40.596 1.00 0.06 H HETATM 1812 H71 UNN A 178 12.718 5.834 40.326 1.00 0.06 H HETATM 1813 H70 UNN A 178 15.104 6.304 40.041 1.00 0.06 H HETATM 1814 H69 UNN A 178 16.012 2.172 40.535 1.00 0.06 H HETATM 1815 H66 UNN A 178 11.441 1.744 40.293 1.00 0.06 H HETATM 1816 H65 UNN A 178 10.672 -0.575 40.534 1.00 0.06 H HETATM 1817 H62 UNN A 178 10.408 -6.639 41.513 1.00 0.05 H HETATM 1818 H63 UNN A 178 9.494 -5.652 42.704 1.00 0.05 H HETATM 1819 C18 UNN A 178 7.713 -6.620 41.136 1.00 0.04 C HETATM 1820 P1 UNN A 178 6.779 -6.109 42.591 1.00 0.01 P HETATM 1821 O2 UNN A 178 7.567 -6.312 43.957 1.00 -0.62 O HETATM 1822 O3 UNN A 178 6.368 -4.704 42.403 1.00 -0.62 O HETATM 1823 C19 UNN A 178 5.289 -7.078 42.615 1.00 0.03 C HETATM 1824 C20 UNN A 178 4.107 -6.479 42.947 1.00 -0.04 C HETATM 1825 C21 UNN A 178 2.916 -7.208 42.989 1.00 -0.05 C HETATM 1826 C22 UNN A 178 2.920 -8.590 42.727 1.00 0.02 C HETATM 1827 BR1 UNN A 178 1.279 -9.580 42.857 1.00 -0.05 BR HETATM 1828 C23 UNN A 178 4.114 -9.236 42.412 1.00 -0.05 C HETATM 1829 C24 UNN A 178 5.335 -8.464 42.337 1.00 -0.04 C HETATM 1830 H78 UNN A 178 6.272 -8.941 42.072 1.00 0.07 H HETATM 1831 H77 UNN A 178 4.128 -10.304 42.225 1.00 0.07 H HETATM 1832 H76 UNN A 178 1.984 -6.706 43.225 1.00 0.07 H HETATM 1833 H75 UNN A 178 4.093 -5.421 43.182 1.00 0.07 H HETATM 1834 H73 UNN A 178 8.223 -7.569 41.358 1.00 0.05 H HETATM 1835 H74 UNN A 178 7.013 -6.767 40.300 1.00 0.05 H HETATM 1836 H61 UNN A 178 8.330 -4.575 40.723 1.00 0.06 H HETATM 1837 H79 UNN A 178 8.393 -4.353 38.526 1.00 0.19 H HETATM 1838 C27 UNN A 178 7.836 -5.333 36.123 1.00 -0.00 C HETATM 1839 C28 UNN A 178 6.574 -5.753 36.857 1.00 0.00 C HETATM 1840 C29 UNN A 178 5.331 -5.147 36.314 1.00 0.04 C HETATM 1841 O5 UNN A 178 4.698 -5.822 35.489 1.00 -0.57 O HETATM 1842 O6 UNN A 178 4.944 -3.937 36.778 1.00 -0.57 O HETATM 1843 H83 UNN A 178 6.672 -5.456 37.912 1.00 0.04 H HETATM 1844 H84 UNN A 178 6.483 -6.847 36.791 1.00 0.04 H HETATM 1845 H81 UNN A 178 7.900 -5.887 35.175 1.00 0.03 H HETATM 1846 H82 UNN A 178 7.787 -4.254 35.915 1.00 0.03 H HETATM 1847 H80 UNN A 178 9.290 -6.712 36.986 1.00 0.08 H HETATM 1848 O7 UNN A 178 10.478 -3.884 36.400 1.00 -0.39 O HETATM 1849 H85 UNN A 178 10.432 -6.756 35.254 1.00 0.19 H HETATM 1850 C32 UNN A 178 12.442 -6.502 33.771 1.00 -0.00 C HETATM 1851 C33 UNN A 178 12.964 -6.125 32.382 1.00 0.00 C HETATM 1852 C34 UNN A 178 14.069 -7.079 31.961 1.00 0.04 C HETATM 1853 O8 UNN A 178 14.519 -6.994 30.828 1.00 -0.57 O HETATM 1854 O9 UNN A 178 14.579 -7.992 32.776 1.00 -0.57 O HETATM 1855 H89 UNN A 178 13.360 -5.099 32.409 1.00 0.04 H HETATM 1856 H90 UNN A 178 12.139 -6.181 31.656 1.00 0.04 H HETATM 1857 H87 UNN A 178 11.747 -7.350 33.680 1.00 0.03 H HETATM 1858 H88 UNN A 178 13.289 -6.789 34.412 1.00 0.03 H HETATM 1859 H86 UNN A 178 12.459 -4.672 34.865 1.00 0.08 H HETATM 1860 O10 UNN A 178 9.773 -5.108 33.004 1.00 -0.39 O HETATM 1861 H91 UNN A 178 11.936 -2.913 33.311 1.00 0.19 H HETATM 1862 H20 UNN A 178 10.121 -3.728 31.317 1.00 0.05 H HETATM 1863 H21 UNN A 178 9.867 -2.194 32.217 1.00 0.05 H HETATM 1864 H18 UNN A 178 11.463 -1.091 31.075 1.00 0.03 H HETATM 1865 H19 UNN A 178 12.377 -2.583 30.667 1.00 0.03 H HETATM 1866 H16 UNN A 178 11.260 -1.497 28.713 1.00 0.06 H HETATM 1867 H17 UNN A 178 10.758 -3.198 28.993 1.00 0.06 H HETATM 1868 H14 UNN A 178 8.629 0.187 29.161 1.00 0.06 H HETATM 1869 H15 UNN A 178 9.794 -0.405 27.928 1.00 0.06 H HETATM 1870 H12 UNN A 178 7.013 -1.597 28.307 1.00 0.06 H HETATM 1871 H13 UNN A 178 7.361 -0.250 27.170 1.00 0.06 H HETATM 1872 H10 UNN A 178 7.110 -3.453 25.724 1.00 0.06 H HETATM 1873 H11 UNN A 178 6.367 -1.827 25.904 1.00 0.06 H HETATM 1874 H8 UNN A 178 7.272 -2.295 23.579 1.00 0.06 H HETATM 1875 H9 UNN A 178 7.983 -0.847 24.370 1.00 0.06 H HETATM 1876 H6 UNN A 178 10.201 -1.162 25.490 1.00 0.06 H HETATM 1877 H7 UNN A 178 11.273 -2.134 24.424 1.00 0.06 H HETATM 1878 H4 UNN A 178 10.082 -0.871 22.469 1.00 0.03 H HETATM 1879 H5 UNN A 178 9.565 0.285 23.743 1.00 0.03 H HETATM 1880 H2 UNN A 178 11.945 0.597 24.378 1.00 0.05 H HETATM 1881 H3 UNN A 178 12.422 -0.490 23.030 1.00 0.05 H HETATM 1882 H1 UNN A 178 11.542 2.331 22.799 1.00 0.18 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 210 209 1494 CONECT 211 209 1494 CONECT 549 548 1493 CONECT 644 642 643 1491 CONECT 658 656 1491 CONECT 704 703 1492 CONECT 710 709 1492 CONECT 728 727 1492 CONECT 738 737 1492 CONECT 768 766 767 1491 CONECT 816 815 1493 CONECT 830 829 1493 CONECT 843 842 1493 CONECT 858 857 860 1491 CONECT 887 886 1494 CONECT 892 890 1494 CONECT 1070 1068 1069 1490 CONECT 1105 1103 1104 1490 CONECT 1152 1150 1151 1490 CONECT 1490 1070 1105 1152 CONECT 1491 644 658 768 858 CONECT 1492 704 710 728 738 CONECT 1493 549 816 830 843 CONECT 1494 210 211 887 892 CONECT 1667 1668 1766 1882 CONECT 1668 1667 1669 1670 CONECT 1669 1668 CONECT 1670 1668 1671 1764 1765 CONECT 1671 1670 1672 1762 1763 CONECT 1672 1671 1673 1760 1761 CONECT 1673 1672 1674 1758 1759 CONECT 1674 1673 1675 1706 CONECT 1675 1674 1676 1692 CONECT 1676 1675 1677 1697 CONECT 1677 1676 1678 1690 CONECT 1678 1677 1679 1696 CONECT 1679 1678 1680 1684 CONECT 1680 1679 1681 1682 1683 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1680 CONECT 1684 1679 1685 1695 CONECT 1685 1684 1686 1690 CONECT 1686 1685 1687 1688 1689 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1686 CONECT 1690 1677 1685 1691 CONECT 1691 1690 1692 1694 CONECT 1692 1675 1691 1693 CONECT 1693 1692 CONECT 1694 1691 CONECT 1695 1684 CONECT 1696 1678 CONECT 1697 1676 1698 1702 1706 CONECT 1698 1697 1699 1700 1701 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1698 CONECT 1702 1697 1703 1704 1705 CONECT 1703 1702 CONECT 1704 1702 CONECT 1705 1702 CONECT 1706 1674 1697 1707 CONECT 1707 1706 1708 1756 1757 CONECT 1708 1707 1709 1755 CONECT 1709 1708 1710 1754 CONECT 1710 1709 1711 1753 CONECT 1711 1710 1712 1752 CONECT 1712 1711 1713 1723 CONECT 1713 1712 1714 1721 CONECT 1714 1713 1715 1719 1720 CONECT 1715 1714 1716 1717 1718 CONECT 1716 1715 CONECT 1717 1715 CONECT 1718 1715 CONECT 1719 1714 CONECT 1720 1714 CONECT 1721 1713 1722 1749 CONECT 1722 1721 1723 1732 CONECT 1723 1712 1722 1724 1728 CONECT 1724 1723 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1723 1729 1730 1731 CONECT 1729 1728 CONECT 1730 1728 CONECT 1731 1728 CONECT 1732 1722 1733 1741 CONECT 1733 1732 1734 1748 CONECT 1734 1733 1735 1739 CONECT 1735 1734 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1739 1734 1740 1747 CONECT 1740 1739 1741 1743 CONECT 1741 1732 1740 1742 CONECT 1742 1741 CONECT 1743 1740 1744 1745 1746 CONECT 1744 1743 CONECT 1745 1743 CONECT 1746 1743 CONECT 1747 1739 CONECT 1748 1733 1749 1751 CONECT 1749 1721 1748 1750 CONECT 1750 1749 CONECT 1751 1748 CONECT 1752 1711 CONECT 1753 1710 CONECT 1754 1709 CONECT 1755 1708 CONECT 1756 1707 CONECT 1757 1707 CONECT 1758 1673 CONECT 1759 1673 CONECT 1760 1672 CONECT 1761 1672 CONECT 1762 1671 CONECT 1763 1671 CONECT 1764 1670 CONECT 1765 1670 CONECT 1766 1667 1767 1880 1881 CONECT 1767 1766 1768 1878 1879 CONECT 1768 1767 1769 1876 1877 CONECT 1769 1768 1770 CONECT 1770 1769 1771 1874 1875 CONECT 1771 1770 1772 1872 1873 CONECT 1772 1771 1773 CONECT 1773 1772 1774 1870 1871 CONECT 1774 1773 1775 1868 1869 CONECT 1775 1774 1776 CONECT 1776 1775 1777 1866 1867 CONECT 1777 1776 1778 1864 1865 CONECT 1778 1777 1779 1862 1863 CONECT 1779 1778 1780 1861 CONECT 1780 1779 1781 1860 CONECT 1781 1780 1782 1850 1859 CONECT 1782 1781 1783 1849 CONECT 1783 1782 1784 1848 CONECT 1784 1783 1785 1838 1847 CONECT 1785 1784 1786 1837 CONECT 1786 1785 1787 1788 CONECT 1787 1786 CONECT 1788 1786 1789 1819 1836 CONECT 1789 1788 1790 1817 1818 CONECT 1790 1789 1791 1794 CONECT 1791 1790 1792 CONECT 1792 1791 1793 CONECT 1793 1792 1794 1796 CONECT 1794 1790 1793 1795 CONECT 1795 1794 CONECT 1796 1793 1797 1801 CONECT 1797 1796 1798 1816 CONECT 1798 1797 1799 1815 CONECT 1799 1798 1800 1804 CONECT 1800 1799 1801 1803 CONECT 1801 1796 1800 1802 CONECT 1802 1801 CONECT 1803 1800 CONECT 1804 1799 1805 1810 CONECT 1805 1804 1806 1814 CONECT 1806 1805 1807 1808 CONECT 1807 1806 CONECT 1808 1806 1809 1813 CONECT 1809 1808 1810 1812 CONECT 1810 1804 1809 1811 CONECT 1811 1810 CONECT 1812 1809 CONECT 1813 1808 CONECT 1814 1805 CONECT 1815 1798 CONECT 1816 1797 CONECT 1817 1789 CONECT 1818 1789 CONECT 1819 1788 1820 1834 1835 CONECT 1820 1819 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 1824 1829 CONECT 1824 1823 1825 1833 CONECT 1825 1824 1826 1832 CONECT 1826 1825 1827 1828 CONECT 1827 1826 CONECT 1828 1826 1829 1831 CONECT 1829 1823 1828 1830 CONECT 1830 1829 CONECT 1831 1828 CONECT 1832 1825 CONECT 1833 1824 CONECT 1834 1819 CONECT 1835 1819 CONECT 1836 1788 CONECT 1837 1785 CONECT 1838 1784 1839 1845 1846 CONECT 1839 1838 1840 1843 1844 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1839 CONECT 1844 1839 CONECT 1845 1838 CONECT 1846 1838 CONECT 1847 1784 CONECT 1848 1783 CONECT 1849 1782 CONECT 1850 1781 1851 1857 1858 CONECT 1851 1850 1852 1855 1856 CONECT 1852 1851 1853 1854 CONECT 1853 1852 CONECT 1854 1852 CONECT 1855 1851 CONECT 1856 1851 CONECT 1857 1850 CONECT 1858 1850 CONECT 1859 1781 CONECT 1860 1780 CONECT 1861 1779 CONECT 1862 1778 CONECT 1863 1778 CONECT 1864 1777 CONECT 1865 1777 CONECT 1866 1776 CONECT 1867 1776 CONECT 1868 1774 CONECT 1869 1774 CONECT 1870 1773 CONECT 1871 1773 CONECT 1872 1771 CONECT 1873 1771 CONECT 1874 1770 CONECT 1875 1770 CONECT 1876 1768 CONECT 1877 1768 CONECT 1878 1767 CONECT 1879 1767 CONECT 1880 1766 CONECT 1881 1766 CONECT 1882 1667 MASTER 0 0 0 0 0 0 0 0 1881 1 244 13 END
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Structure:
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Ligand 3D
Protein
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Protein-Ligand
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Related entries of code: 5l7f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1jiz
RCSB PDB
PDBbind
166aa, >1JIZ_1|Chains... *
1rmz
RCSB PDB
PDBbind
159aa, >1RMZ_1|Chain... at 98%
1ros
RCSB PDB
PDBbind
163aa, >1ROS_1|Chains... at 97%
1utt
RCSB PDB
PDBbind
159aa, >1UTT_1|Chain... at 100%
1utz
RCSB PDB
PDBbind
159aa, >1UTZ_1|Chains... at 100%
1ycm
RCSB PDB
PDBbind
159aa, >1YCM_1|Chain... at 98%
1z3j
RCSB PDB
PDBbind
159aa, >1Z3J_1|Chain... at 98%
2hu6
RCSB PDB
PDBbind
159aa, >2HU6_1|Chain... at 98%
2k2g
RCSB PDB
PDBbind
165aa, >2K2G_1|Chain... at 99%
2w0d
RCSB PDB
PDBbind
164aa, >2W0D_1|Chains... at 95%
2wo8
RCSB PDB
PDBbind
164aa, >2WO8_1|Chains... at 96%
2wo9
RCSB PDB
PDBbind
164aa, >2WO9_1|Chains... at 96%
2woa
RCSB PDB
PDBbind
164aa, >2WOA_1|Chains... at 96%
3ehx
RCSB PDB
PDBbind
158aa, >3EHX_1|Chain... at 99%
3ehy
RCSB PDB
PDBbind
158aa, >3EHY_1|Chain... at 99%
3f15
RCSB PDB
PDBbind
158aa, >3F15_1|Chain... at 99%
3f16
RCSB PDB
PDBbind
158aa, >3F16_1|Chain... at 99%
3f17
RCSB PDB
PDBbind
158aa, >3F17_1|Chain... at 99%
3f18
RCSB PDB
PDBbind
158aa, >3F18_1|Chain... at 99%
3f19
RCSB PDB
PDBbind
158aa, >3F19_1|Chain... at 99%
3f1a
RCSB PDB
PDBbind
158aa, >3F1A_1|Chain... at 99%
3lik
RCSB PDB
PDBbind
159aa, >3LIK_1|Chain... at 98%
3lil
RCSB PDB
PDBbind
159aa, >3LIL_1|Chain... at 98%
3lir
RCSB PDB
PDBbind
159aa, >3LIR_1|Chain... at 98%
3ljg
RCSB PDB
PDBbind
159aa, >3LJG_1|Chain... at 98%
3lk8
RCSB PDB
PDBbind
158aa, >3LK8_1|Chain... at 99%
3lka
RCSB PDB
PDBbind
158aa, >3LKA_1|Chain... at 99%
3n2u
RCSB PDB
PDBbind
158aa, >3N2U_1|Chain... at 99%
3n2v
RCSB PDB
PDBbind
158aa, >3N2V_1|Chain... at 99%
3nx7
RCSB PDB
PDBbind
158aa, >3NX7_1|Chain... at 99%
3ts4
RCSB PDB
PDBbind
159aa, >3TS4_1|Chain... at 98%
3tsk
RCSB PDB
PDBbind
159aa, >3TSK_1|Chain... at 98%
4efs
RCSB PDB
PDBbind
159aa, >4EFS_1|Chain... at 98%
4gql
RCSB PDB
PDBbind
159aa, >4GQL_1|Chain... at 98%
4gr0
RCSB PDB
PDBbind
159aa, >4GR0_1|Chain... at 98%
4gr3
RCSB PDB
PDBbind
159aa, >4GR3_1|Chain... at 98%
4gr8
RCSB PDB
PDBbind
152aa, >4GR8_1|Chain... at 99%
5cxa
RCSB PDB
PDBbind
159aa, >5CXA_1|Chain... at 98%
5czm
RCSB PDB
PDBbind
159aa, >5CZM_1|Chain... at 98%
5d3c
RCSB PDB
PDBbind
159aa, >5D3C_1|Chain... at 98%
5i0l
RCSB PDB
PDBbind
159aa, >5I0L_1|Chains... at 98%
5i2z
RCSB PDB
PDBbind
159aa, >5I2Z_1|Chains... at 98%
5i3m
RCSB PDB
PDBbind
159aa, >5I3M_1|Chains... at 98%
5i43
RCSB PDB
PDBbind
159aa, >5I43_1|Chains... at 98%
5i4o
RCSB PDB
PDBbind
159aa, >5I4O_1|Chains... at 98%
6ekn
RCSB PDB
PDBbind
159aa, >6EKN_1|Chain... at 98%
6ela
RCSB PDB
PDBbind
159aa, >6ELA_1|Chains... at 98%
6enm
RCSB PDB
PDBbind
159aa, >6ENM_1|Chains... at 98%
6eox
RCSB PDB
PDBbind
159aa, >6EOX_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
11gs
RCSB PDB
PDBbind
2-mer
1b2m
RCSB PDB
PDBbind
2-mer
1e55
RCSB PDB
PDBbind
2-mer
1eef
RCSB PDB
PDBbind
2-mer
1fh7
RCSB PDB
PDBbind
2-mer
1fh8
RCSB PDB
PDBbind
2-mer
1fh9
RCSB PDB
PDBbind
2-mer
1fhd
RCSB PDB
PDBbind
2-mer
1ocn
RCSB PDB
PDBbind
2-mer
1orw
RCSB PDB
PDBbind
2-mer
1y3n
RCSB PDB
PDBbind
2-mer
2igv
RCSB PDB
PDBbind
2-mer
2igw
RCSB PDB
PDBbind
2-mer
2r1x
RCSB PDB
PDBbind
2-mer
2r1y
RCSB PDB
PDBbind
2-mer
2r23
RCSB PDB
PDBbind
2-mer
2rkm
RCSB PDB
PDBbind
2-mer
2rok
RCSB PDB
PDBbind
2-mer
2tpi
RCSB PDB
PDBbind
2-mer
2vl1
RCSB PDB
PDBbind
2-mer
2wly
RCSB PDB
PDBbind
2-mer
2wlz
RCSB PDB
PDBbind
2-mer
2wyn
RCSB PDB
PDBbind
2-mer
3bbb
RCSB PDB
PDBbind
2-mer
3bpc
RCSB PDB
PDBbind
2-mer
3gss
RCSB PDB
PDBbind
2-mer
3ijy
RCSB PDB
PDBbind
2-mer
3ikc
RCSB PDB
PDBbind
2-mer
3ng4
RCSB PDB
PDBbind
2-mer
3oy8
RCSB PDB
PDBbind
2-mer
3qlb
RCSB PDB
PDBbind
2-mer
3rg2
RCSB PDB
PDBbind
2-mer
3vzg
RCSB PDB
PDBbind
2-mer
4cd4
RCSB PDB
PDBbind
2-mer
4cd5
RCSB PDB
PDBbind
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4cd6
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PDBbind
2-mer
4cd8
RCSB PDB
PDBbind
2-mer
4gzx
RCSB PDB
PDBbind
2-mer
4jjf
RCSB PDB
PDBbind
2-mer
4jjg
RCSB PDB
PDBbind
2-mer
4k3l
RCSB PDB
PDBbind
2-mer
4lk7
RCSB PDB
PDBbind
2-mer
4lkk
RCSB PDB
PDBbind
2-mer
4nku
RCSB PDB
PDBbind
2-mer
4oak
RCSB PDB
PDBbind
2-mer
4oel
RCSB PDB
PDBbind
2-mer
4oem
RCSB PDB
PDBbind
2-mer
4qfl
RCSB PDB
PDBbind
2-mer
4qfn
RCSB PDB
PDBbind
2-mer
4qfo
RCSB PDB
PDBbind
2-mer
4qfp
RCSB PDB
PDBbind
2-mer
4v27
RCSB PDB
PDBbind
2-mer
4x6h
RCSB PDB
PDBbind
2-mer
4yw2
RCSB PDB
PDBbind
2-mer
5ggo
RCSB PDB
PDBbind
2-mer
5gub
RCSB PDB
PDBbind
2-mer
5gx6
RCSB PDB
PDBbind
2-mer
5gx7
RCSB PDB
PDBbind
2-mer
5j41
RCSB PDB
PDBbind
2-mer
5lne
RCSB PDB
PDBbind
2-mer
5lyr
RCSB PDB
PDBbind
2-mer
5m17
RCSB PDB
PDBbind
2-mer
5m1z
RCSB PDB
PDBbind
2-mer
5m5d
RCSB PDB
PDBbind
2-mer
5m77
RCSB PDB
PDBbind
2-mer
5o58
RCSB PDB
PDBbind
2-mer
5oxk
RCSB PDB
PDBbind
2-mer
5oxl
RCSB PDB
PDBbind
2-mer
5oxm
RCSB PDB
PDBbind
2-mer
5oxn
RCSB PDB
PDBbind
2-mer
5vkm
RCSB PDB
PDBbind
2-mer
5xs8
RCSB PDB
PDBbind
2-mer
6fam
RCSB PDB
PDBbind
2-mer
6hmg
RCSB PDB
PDBbind
2-mer
6p7q
RCSB PDB
PDBbind
2-mer
6kdi
RCSB PDB
PDBbind
2-mer
6idg
RCSB PDB
PDBbind
2-mer
6a87
RCSB PDB
PDBbind
2-mer
6inz
RCSB PDB
PDBbind
2-mer
Entry Information
PDB ID
5l7f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Macrophage metalloelastase 12 (hMMP12) mutant K421A
Ligand Name
2-mer
EC.Number
E.C.3.4.24.65
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.90nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioconjug.Chem. Vol. 27: pp. 2407-2417
Ligand Properties
Formula
C
8
5
H
1
0
7
BrClN
7
O
2
6
PS
4
Molecular Weight
1917.380
Exact Mass
1914.480
No. of atoms
232
No. of bonds
241
Polar Surface Area
667.45
LOGP Value
9.27 (
Computed with XLOGP3
)
17.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 10
Canonical SMILES
CC[N]1=C(/C=C/C=C/CC2=[N](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CP(c3ccc(cc3)Br)(O)O)Cc3onc(c3)c3ccc(cc3)c3cccc(c3)Cl)CCC(=O)O)CCC(=O)O)c3c(C2(C)C)c2cc(cc(c2cc3)S(O)(O)O)S(O)(O)O)C(c2c1ccc1c2cc(cc1S(O)(O)O)S(O)(O)O)(C)C
InChI String
InChI=1S/C85H108BrClN7O26PS4/c1-6-93-70-32-28-63-65(48-61(122(105,106)107)50-72(63)124(111,112)113)79(70)84(2,3)74(93)17-8-7-9-18-75-85(4,5)80-66-49-62(123(108,109)110)51-73(125(114,115)116)64(66)29-33-71(80)94(75)38-11-10-19-76(95)88-36-13-39-117-41-43-119-44-42-118-40-14-37-89-82(101)67(30-34-77(96)97)91-83(102)68(31-35-78(98)99)90-81(100)56(52-121(103,104)60-26-24-57(86)25-27-60)46-59-47-69(92-120-59)54-22-20-53(21-23-54)55-15-12-16-58(87)45-55/h7-9,12,15-17,20-29,32-33,45,47-51,56,67-68,103-116,121H,6,10-11,13-14,18-19,30-31,34-44,46,52H2,1-5H3,(H,88,95)(H,89,101)(H,90,100)(H,91,102)(H,96,97)(H,98,99)/b9-7+,17-8+/t56-,67+,68+/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P39900
Entrez Gene ID
NCBI Entrez Gene ID:
4321
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Information of known allosteric effects of PDB entries
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