Browse entries in the PDBbind-CN Database
HEADER 4J5E_COMPLEX COMPND 4J5E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 X 164 GLY ASN PRO LEU VAL TYR LEU ASP VAL ASP ALA ASN GLY SEQRES 2 X 164 LYS PRO LEU GLY ARG VAL VAL LEU GLU LEU LYS ALA ASP SEQRES 3 X 164 VAL VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU CYS SEQRES 4 X 164 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER THR PHE SEQRES 5 X 164 HIS ARG VAL ILE PRO SER PHE MET CYS GLN ALA GLY ASP SEQRES 6 X 164 PHE THR ASN HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 X 164 GLY SER ARG PHE PRO ASP GLU ASN PHE THR LEU LYS HIS SEQRES 8 X 164 VAL GLY PRO GLY VAL LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 X 164 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ILE LYS SEQRES 10 X 164 THR ASP TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY HIS SEQRES 11 X 164 VAL ILE GLU GLY MET ASP VAL VAL LYS LYS ILE GLU SER SEQRES 12 X 164 PHE GLY SER LYS SER GLY ARG THR SER LYS LYS ILE VAL SEQRES 13 X 164 ILE THR ASP CYS GLY GLN LEU SER HET UNN A 628 54 ATOM 1 N GLY X 44 20.799 12.730 43.096 1.00 12.51 N ATOM 2 CA GLY X 44 20.695 13.863 42.189 1.00 10.46 C ATOM 3 C GLY X 44 19.658 13.641 41.106 1.00 8.45 C ATOM 4 O GLY X 44 18.842 12.718 41.187 1.00 9.07 O ATOM 5 HN3 GLY X 44 21.070 11.882 42.559 1.00 0.00 H ATOM 6 HN2 GLY X 44 19.880 12.571 43.557 1.00 0.00 H ATOM 7 HN1 GLY X 44 21.520 12.930 43.818 1.00 0.00 H ATOM 8 N ASN X 45 19.696 14.482 40.084 1.00 7.00 N ATOM 9 CA ASN X 45 18.773 14.374 38.966 1.00 6.36 C ATOM 10 C ASN X 45 18.989 13.095 38.176 1.00 6.08 C ATOM 11 O ASN X 45 20.120 12.644 38.004 1.00 6.83 O ATOM 12 CB ASN X 45 18.982 15.554 38.023 1.00 5.86 C ATOM 13 CG ASN X 45 18.358 16.842 38.521 1.00 5.96 C ATOM 14 OD1 ASN X 45 17.399 16.836 39.280 1.00 6.25 O ATOM 15 ND2 ASN X 45 18.882 17.961 38.051 1.00 6.60 N ATOM 16 HD22 ASN X 45 19.698 17.923 37.407 1.00 0.00 H ATOM 17 HD21 ASN X 45 18.478 18.879 38.325 1.00 0.00 H ATOM 18 H ASN X 45 20.406 15.242 40.081 1.00 0.00 H ATOM 19 N PRO X 46 17.910 12.521 37.638 1.00 5.62 N ATOM 20 CA PRO X 46 18.109 11.334 36.807 1.00 5.66 C ATOM 21 C PRO X 46 18.944 11.583 35.561 1.00 4.94 C ATOM 22 O PRO X 46 18.852 12.639 34.942 1.00 5.39 O ATOM 23 CB PRO X 46 16.682 10.961 36.387 1.00 6.52 C ATOM 24 CG PRO X 46 15.804 11.544 37.431 1.00 6.42 C ATOM 25 CD PRO X 46 16.486 12.817 37.861 1.00 5.87 C ATOM 26 N LEU X 47 19.735 10.571 35.217 1.00 4.58 N ATOM 27 CA LEU X 47 20.413 10.469 33.947 1.00 5.29 C ATOM 28 C LEU X 47 19.748 9.307 33.204 1.00 4.02 C ATOM 29 O LEU X 47 19.689 8.196 33.745 1.00 4.41 O ATOM 30 CB LEU X 47 21.882 10.155 34.222 1.00 7.37 C ATOM 31 CG LEU X 47 22.939 10.518 33.190 1.00 7.95 C ATOM 32 CD1 LEU X 47 22.869 11.982 32.829 1.00 6.12 C ATOM 33 CD2 LEU X 47 24.314 10.164 33.738 1.00 9.48 C ATOM 34 H LEU X 47 19.874 9.805 35.906 1.00 0.00 H ATOM 35 N VAL X 48 19.257 9.557 31.992 1.00 3.72 N ATOM 36 CA VAL X 48 18.633 8.524 31.179 1.00 3.58 C ATOM 37 C VAL X 48 19.302 8.466 29.809 1.00 4.01 C ATOM 38 O VAL X 48 20.060 9.364 29.432 1.00 4.35 O ATOM 39 CB VAL X 48 17.106 8.737 31.056 1.00 4.40 C ATOM 40 CG1 VAL X 48 16.437 8.663 32.423 1.00 5.29 C ATOM 41 CG2 VAL X 48 16.784 10.069 30.372 1.00 4.38 C ATOM 42 H VAL X 48 19.322 10.523 31.613 1.00 0.00 H ATOM 43 N TYR X 49 19.016 7.412 29.060 1.00 4.59 N ATOM 44 CA TYR X 49 19.620 7.239 27.752 1.00 5.18 C ATOM 45 C TYR X 49 18.609 6.783 26.723 1.00 4.26 C ATOM 46 O TYR X 49 17.639 6.079 27.034 1.00 4.45 O ATOM 47 CB TYR X 49 20.787 6.227 27.796 1.00 5.81 C ATOM 48 CG TYR X 49 20.393 4.798 28.094 1.00 5.44 C ATOM 49 CD1 TYR X 49 20.120 3.892 27.075 1.00 6.28 C ATOM 50 CD2 TYR X 49 20.280 4.355 29.401 1.00 5.54 C ATOM 51 CE1 TYR X 49 19.742 2.582 27.368 1.00 6.74 C ATOM 52 CE2 TYR X 49 19.916 3.059 29.696 1.00 6.47 C ATOM 53 CZ TYR X 49 19.639 2.177 28.687 1.00 6.93 C ATOM 54 OH TYR X 49 19.267 0.880 29.014 1.00 8.44 O ATOM 55 HH TYR X 49 19.101 0.366 28.184 1.00 0.00 H ATOM 56 H TYR X 49 18.349 6.698 29.415 1.00 0.00 H ATOM 57 N LEU X 50 18.890 7.175 25.482 1.00 4.16 N ATOM 58 CA LEU X 50 18.224 6.692 24.285 1.00 4.69 C ATOM 59 C LEU X 50 19.276 6.158 23.329 1.00 4.51 C ATOM 60 O LEU X 50 20.186 6.892 22.955 1.00 4.94 O ATOM 61 CB LEU X 50 17.483 7.817 23.564 1.00 4.75 C ATOM 62 CG LEU X 50 16.576 8.723 24.392 1.00 4.98 C ATOM 63 CD1 LEU X 50 16.065 9.870 23.523 1.00 5.97 C ATOM 64 CD2 LEU X 50 15.428 7.958 25.021 1.00 5.67 C ATOM 65 H LEU X 50 19.644 7.881 25.360 1.00 0.00 H ATOM 66 N ASP X 51 19.156 4.889 22.943 1.00 4.78 N ATOM 67 CA ASP X 51 19.982 4.326 21.880 1.00 5.18 C ATOM 68 C ASP X 51 19.177 4.389 20.596 1.00 5.38 C ATOM 69 O ASP X 51 18.049 3.902 20.554 1.00 5.97 O ATOM 70 CB ASP X 51 20.378 2.879 22.195 1.00 5.99 C ATOM 71 CG ASP X 51 21.381 2.784 23.326 1.00 6.19 C ATOM 72 OD1 ASP X 51 22.206 3.699 23.474 1.00 6.03 O ATOM 73 OD2 ASP X 51 21.334 1.797 24.079 1.00 7.29 O ATOM 74 H ASP X 51 18.454 4.282 23.412 1.00 0.00 H ATOM 75 N VAL X 52 19.735 5.019 19.563 1.00 5.82 N ATOM 76 CA VAL X 52 18.960 5.344 18.368 1.00 6.21 C ATOM 77 C VAL X 52 19.574 4.712 17.125 1.00 6.61 C ATOM 78 O VAL X 52 20.781 4.823 16.907 1.00 7.41 O ATOM 79 CB VAL X 52 18.863 6.885 18.168 1.00 7.12 C ATOM 80 CG1 VAL X 52 17.966 7.214 16.984 1.00 7.59 C ATOM 81 CG2 VAL X 52 18.336 7.552 19.426 1.00 7.13 C ATOM 82 H VAL X 52 20.740 5.284 19.608 1.00 0.00 H ATOM 83 N ASP X 53 18.729 4.058 16.321 1.00 6.75 N ATOM 84 CA ASP X 53 19.103 3.544 14.996 1.00 7.17 C ATOM 85 C ASP X 53 18.570 4.470 13.894 1.00 7.12 C ATOM 86 O ASP X 53 17.543 5.140 14.064 1.00 7.81 O ATOM 87 CB ASP X 53 18.411 2.208 14.669 1.00 8.47 C ATOM 88 CG ASP X 53 19.103 0.961 15.180 1.00 8.15 C ATOM 89 OD1 ASP X 53 18.563 -0.127 14.837 1.00 9.08 O ATOM 90 OD2 ASP X 53 20.132 1.031 15.875 1.00 8.03 O ATOM 91 H ASP X 53 17.755 3.905 16.651 1.00 0.00 H ATOM 92 N ALA X 54 19.227 4.431 12.737 1.00 8.04 N ATOM 93 CA ALA X 54 18.692 4.991 11.506 1.00 9.43 C ATOM 94 C ALA X 54 18.740 3.875 10.468 1.00 10.18 C ATOM 95 O ALA X 54 19.804 3.327 10.171 1.00 10.10 O ATOM 96 CB ALA X 54 19.513 6.192 11.030 1.00 10.88 C ATOM 97 H ALA X 54 20.164 3.980 12.712 1.00 0.00 H ATOM 98 N ASN X 55 17.583 3.533 9.920 1.00 10.59 N ATOM 99 CA ASN X 55 17.496 2.405 8.990 1.00 11.63 C ATOM 100 C ASN X 55 18.197 1.157 9.529 1.00 11.00 C ATOM 101 O ASN X 55 18.888 0.440 8.791 1.00 12.25 O ATOM 102 CB ASN X 55 18.067 2.773 7.619 1.00 11.89 C ATOM 103 CG ASN X 55 17.172 3.722 6.849 1.00 12.02 C ATOM 104 OD1 ASN X 55 15.987 3.874 7.166 1.00 12.44 O ATOM 105 ND2 ASN X 55 17.736 4.374 5.838 1.00 12.05 N ATOM 106 HD22 ASN X 55 18.738 4.213 5.609 1.00 0.00 H ATOM 107 HD21 ASN X 55 17.176 5.046 5.275 1.00 0.00 H ATOM 108 H ASN X 55 16.725 4.073 10.153 1.00 0.00 H ATOM 109 N GLY X 56 18.012 0.905 10.822 1.00 10.45 N ATOM 110 CA GLY X 56 18.493 -0.308 11.455 1.00 10.71 C ATOM 111 C GLY X 56 19.970 -0.309 11.794 1.00 10.64 C ATOM 112 O GLY X 56 20.502 -1.326 12.236 1.00 12.93 O ATOM 113 H GLY X 56 17.504 1.604 11.401 1.00 0.00 H ATOM 114 N LYS X 57 20.646 0.808 11.573 1.00 9.84 N ATOM 115 CA LYS X 57 22.058 0.932 11.913 1.00 11.21 C ATOM 116 C LYS X 57 22.196 1.808 13.144 1.00 8.60 C ATOM 117 O LYS X 57 21.634 2.891 13.178 1.00 7.83 O ATOM 118 CB LYS X 57 22.804 1.572 10.747 1.00 16.62 C ATOM 119 CG LYS X 57 24.309 1.637 10.921 1.00 23.09 C ATOM 120 CD LYS X 57 24.970 2.264 9.703 1.00 28.22 C ATOM 121 CE LYS X 57 26.457 1.948 9.647 1.00 31.22 C ATOM 122 NZ LYS X 57 27.189 2.450 10.839 1.00 32.87 N ATOM 123 HZ1 LYS X 57 27.082 3.483 10.901 1.00 0.00 H ATOM 124 HZ2 LYS X 57 26.798 2.008 11.696 1.00 0.00 H ATOM 125 HZ3 LYS X 57 28.197 2.209 10.752 1.00 0.00 H ATOM 126 H LYS X 57 20.156 1.619 11.145 1.00 0.00 H ATOM 127 N PRO X 58 22.935 1.343 14.164 1.00 8.18 N ATOM 128 CA PRO X 58 23.042 2.159 15.376 1.00 7.26 C ATOM 129 C PRO X 58 23.822 3.446 15.146 1.00 7.21 C ATOM 130 O PRO X 58 24.908 3.435 14.551 1.00 7.99 O ATOM 131 CB PRO X 58 23.801 1.237 16.340 1.00 8.69 C ATOM 132 CG PRO X 58 24.606 0.333 15.446 1.00 10.91 C ATOM 133 CD PRO X 58 23.723 0.103 14.255 1.00 10.48 C ATOM 134 N LEU X 59 23.254 4.547 15.628 1.00 6.87 N ATOM 135 CA LEU X 59 23.920 5.837 15.597 1.00 7.31 C ATOM 136 C LEU X 59 24.724 6.107 16.857 1.00 7.07 C ATOM 137 O LEU X 59 25.635 6.944 16.854 1.00 8.69 O ATOM 138 CB LEU X 59 22.897 6.953 15.452 1.00 7.76 C ATOM 139 CG LEU X 59 22.042 6.897 14.201 1.00 8.06 C ATOM 140 CD1 LEU X 59 21.055 8.045 14.238 1.00 7.17 C ATOM 141 CD2 LEU X 59 22.910 6.975 12.955 1.00 10.40 C ATOM 142 H LEU X 59 22.302 4.482 16.041 1.00 0.00 H ATOM 143 N GLY X 60 24.360 5.434 17.941 1.00 6.12 N ATOM 144 CA GLY X 60 24.926 5.692 19.247 1.00 5.66 C ATOM 145 C GLY X 60 23.879 6.032 20.292 1.00 5.54 C ATOM 146 O GLY X 60 22.684 5.726 20.139 1.00 6.08 O ATOM 147 H GLY X 60 23.638 4.691 17.848 1.00 0.00 H ATOM 148 N ARG X 61 24.350 6.682 21.350 1.00 5.03 N ATOM 149 CA ARG X 61 23.575 6.917 22.555 1.00 5.00 C ATOM 150 C ARG X 61 23.457 8.401 22.847 1.00 4.65 C ATOM 151 O ARG X 61 24.440 9.132 22.817 1.00 5.56 O ATOM 152 CB ARG X 61 24.240 6.221 23.744 1.00 5.65 C ATOM 153 CG ARG X 61 23.516 6.456 25.061 1.00 5.89 C ATOM 154 CD ARG X 61 23.985 5.515 26.147 1.00 6.31 C ATOM 155 NE ARG X 61 23.486 4.172 25.910 1.00 6.48 N ATOM 156 CZ ARG X 61 23.606 3.164 26.760 1.00 6.98 C ATOM 157 NH1 ARG X 61 24.232 3.328 27.915 1.00 7.65 N ATOM 158 NH2 ARG X 61 23.093 1.990 26.443 1.00 6.78 N ATOM 159 HE ARG X 61 23.000 3.989 25.009 1.00 0.00 H ATOM 160 HH12 ARG X 61 24.321 2.530 28.576 1.00 0.00 H ATOM 161 HH11 ARG X 61 24.635 4.255 28.161 1.00 0.00 H ATOM 162 HH22 ARG X 61 23.180 1.190 27.101 1.00 0.00 H ATOM 163 HH21 ARG X 61 22.602 1.865 25.535 1.00 0.00 H ATOM 164 H ARG X 61 25.325 7.042 21.313 1.00 0.00 H ATOM 165 N VAL X 62 22.241 8.828 23.161 1.00 2.90 N ATOM 166 CA VAL X 62 22.001 10.155 23.692 1.00 3.97 C ATOM 167 C VAL X 62 21.724 10.020 25.182 1.00 4.11 C ATOM 168 O VAL X 62 20.818 9.284 25.585 1.00 4.88 O ATOM 169 CB VAL X 62 20.789 10.833 23.002 1.00 4.86 C ATOM 170 CG1 VAL X 62 20.571 12.245 23.550 1.00 5.57 C ATOM 171 CG2 VAL X 62 20.983 10.873 21.505 1.00 5.47 C ATOM 172 H VAL X 62 21.432 8.189 23.021 1.00 0.00 H ATOM 173 N VAL X 63 22.511 10.718 25.996 1.00 4.03 N ATOM 174 CA VAL X 63 22.317 10.732 27.436 1.00 3.52 C ATOM 175 C VAL X 63 21.724 12.068 27.820 1.00 3.58 C ATOM 176 O VAL X 63 22.219 13.110 27.377 1.00 3.91 O ATOM 177 CB VAL X 63 23.647 10.498 28.193 1.00 4.36 C ATOM 178 CG1 VAL X 63 23.413 10.529 29.697 1.00 5.10 C ATOM 179 CG2 VAL X 63 24.275 9.197 27.787 1.00 5.00 C ATOM 180 H VAL X 63 23.291 11.272 25.588 1.00 0.00 H ATOM 181 N LEU X 64 20.669 12.023 28.633 1.00 3.31 N ATOM 182 CA LEU X 64 19.899 13.194 29.017 1.00 3.70 C ATOM 183 C LEU X 64 19.866 13.336 30.528 1.00 3.86 C ATOM 184 O LEU X 64 19.609 12.362 31.223 1.00 4.36 O ATOM 185 CB LEU X 64 18.465 13.065 28.496 1.00 3.77 C ATOM 186 CG LEU X 64 18.326 12.949 26.980 1.00 4.35 C ATOM 187 CD1 LEU X 64 17.000 12.313 26.588 1.00 5.41 C ATOM 188 CD2 LEU X 64 18.508 14.294 26.295 1.00 4.79 C ATOM 189 H LEU X 64 20.381 11.099 29.014 1.00 0.00 H ATOM 190 N GLU X 65 20.099 14.555 31.016 1.00 3.51 N ATOM 191 CA GLU X 65 19.838 14.896 32.410 1.00 3.87 C ATOM 192 C GLU X 65 18.420 15.421 32.496 1.00 3.71 C ATOM 193 O GLU X 65 18.035 16.296 31.724 1.00 4.22 O ATOM 194 CB GLU X 65 20.799 15.969 32.926 1.00 4.51 C ATOM 195 CG GLU X 65 20.431 16.424 34.335 1.00 4.58 C ATOM 196 CD GLU X 65 21.399 17.401 34.982 1.00 5.03 C ATOM 197 OE1 GLU X 65 22.461 17.694 34.411 1.00 5.23 O ATOM 198 OE2 GLU X 65 21.090 17.855 36.113 1.00 5.46 O ATOM 199 H GLU X 65 20.479 15.286 30.382 1.00 0.00 H ATOM 200 N LEU X 66 17.654 14.878 33.437 1.00 3.79 N ATOM 201 CA LEU X 66 16.289 15.321 33.671 1.00 3.80 C ATOM 202 C LEU X 66 16.272 16.198 34.913 1.00 4.02 C ATOM 203 O LEU X 66 16.691 15.772 35.991 1.00 4.62 O ATOM 204 CB LEU X 66 15.353 14.126 33.851 1.00 4.17 C ATOM 205 CG LEU X 66 15.463 13.038 32.785 1.00 4.25 C ATOM 206 CD1 LEU X 66 14.455 11.928 33.075 1.00 4.51 C ATOM 207 CD2 LEU X 66 15.288 13.605 31.384 1.00 4.50 C ATOM 208 H LEU X 66 18.043 14.113 34.024 1.00 0.00 H ATOM 209 N LYS X 67 15.791 17.428 34.757 1.00 4.25 N ATOM 210 CA LYS X 67 15.887 18.433 35.809 1.00 4.72 C ATOM 211 C LYS X 67 14.735 18.307 36.813 1.00 4.54 C ATOM 212 O LYS X 67 13.863 19.166 36.943 1.00 5.29 O ATOM 213 CB LYS X 67 15.906 19.847 35.212 1.00 4.88 C ATOM 214 CG LYS X 67 17.185 20.184 34.452 1.00 6.35 C ATOM 215 CD LYS X 67 18.413 20.046 35.348 1.00 6.65 C ATOM 216 CE LYS X 67 19.661 20.749 34.805 1.00 7.04 C ATOM 217 NZ LYS X 67 20.830 20.673 35.756 1.00 7.71 N ATOM 218 HZ1 LYS X 67 20.573 21.127 36.656 1.00 0.00 H ATOM 219 HZ2 LYS X 67 21.073 19.676 35.926 1.00 0.00 H ATOM 220 HZ3 LYS X 67 21.647 21.164 35.339 1.00 0.00 H ATOM 221 H LYS X 67 15.333 17.680 33.858 1.00 0.00 H ATOM 222 N ALA X 68 14.763 17.189 37.532 1.00 4.36 N ATOM 223 CA ALA X 68 13.757 16.881 38.542 1.00 4.22 C ATOM 224 C ALA X 68 13.759 17.889 39.678 1.00 4.99 C ATOM 225 O ALA X 68 12.756 18.015 40.381 1.00 5.27 O ATOM 226 CB ALA X 68 13.955 15.481 39.072 1.00 5.06 C ATOM 227 H ALA X 68 15.532 16.508 37.368 1.00 0.00 H ATOM 228 N ASP X 69 14.877 18.586 39.881 1.00 4.97 N ATOM 229 CA ASP X 69 14.907 19.630 40.895 1.00 6.01 C ATOM 230 C ASP X 69 13.898 20.745 40.609 1.00 6.53 C ATOM 231 O ASP X 69 13.334 21.292 41.558 1.00 6.83 O ATOM 232 CB ASP X 69 16.327 20.170 41.168 1.00 8.28 C ATOM 233 CG ASP X 69 17.191 20.357 39.914 1.00 10.80 C ATOM 234 OD1 ASP X 69 16.753 20.137 38.766 1.00 9.04 O ATOM 235 OD2 ASP X 69 18.364 20.754 40.113 1.00 14.61 O ATOM 236 H ASP X 69 15.726 18.384 39.316 1.00 0.00 H ATOM 237 N VAL X 70 13.668 21.020 39.317 1.00 6.17 N ATOM 238 CA VAL X 70 12.872 22.143 38.798 1.00 5.99 C ATOM 239 C VAL X 70 11.459 21.694 38.384 1.00 4.76 C ATOM 240 O VAL X 70 10.458 22.382 38.583 1.00 5.16 O ATOM 241 CB VAL X 70 13.574 22.778 37.537 1.00 6.36 C ATOM 242 CG1 VAL X 70 12.807 23.980 37.045 1.00 6.42 C ATOM 243 CG2 VAL X 70 15.010 23.168 37.841 1.00 7.73 C ATOM 244 H VAL X 70 14.092 20.379 38.616 1.00 0.00 H ATOM 245 N VAL X 71 11.431 20.556 37.684 1.00 3.84 N ATOM 246 CA VAL X 71 10.197 20.012 37.097 1.00 3.68 C ATOM 247 C VAL X 71 10.097 18.518 37.450 1.00 3.52 C ATOM 248 O VAL X 71 10.244 17.634 36.603 1.00 3.76 O ATOM 249 CB VAL X 71 10.111 20.259 35.568 1.00 4.01 C ATOM 250 CG1 VAL X 71 9.638 21.689 35.284 1.00 4.56 C ATOM 251 CG2 VAL X 71 11.443 20.002 34.864 1.00 4.55 C ATOM 252 H VAL X 71 12.320 20.033 37.549 1.00 0.00 H ATOM 253 N PRO X 72 9.870 18.231 38.732 1.00 3.88 N ATOM 254 CA PRO X 72 9.871 16.828 39.154 1.00 3.66 C ATOM 255 C PRO X 72 8.816 15.977 38.459 1.00 3.63 C ATOM 256 O PRO X 72 9.090 14.806 38.181 1.00 3.73 O ATOM 257 CB PRO X 72 9.623 16.902 40.668 1.00 4.66 C ATOM 258 CG PRO X 72 8.988 18.248 40.876 1.00 4.98 C ATOM 259 CD PRO X 72 9.666 19.143 39.869 1.00 4.60 C ATOM 260 N LYS X 73 7.623 16.504 38.225 1.00 3.68 N ATOM 261 CA LYS X 73 6.569 15.676 37.649 1.00 3.96 C ATOM 262 C LYS X 73 6.878 15.330 36.198 1.00 3.84 C ATOM 263 O LYS X 73 6.629 14.218 35.729 1.00 3.95 O ATOM 264 CB LYS X 73 5.219 16.396 37.767 1.00 4.54 C ATOM 265 CG LYS X 73 4.811 16.650 39.210 1.00 5.17 C ATOM 266 CD LYS X 73 3.595 17.572 39.307 1.00 5.93 C ATOM 267 CE LYS X 73 3.106 17.745 40.742 1.00 7.13 C ATOM 268 NZ LYS X 73 4.171 18.277 41.645 1.00 7.05 N ATOM 269 HZ1 LYS X 73 4.976 17.618 41.656 1.00 0.00 H ATOM 270 HZ2 LYS X 73 4.486 19.205 41.298 1.00 0.00 H ATOM 271 HZ3 LYS X 73 3.790 18.377 42.607 1.00 0.00 H ATOM 272 H LYS X 73 7.439 17.502 38.451 1.00 0.00 H ATOM 273 N THR X 74 7.407 16.306 35.482 1.00 3.38 N ATOM 274 CA THR X 74 7.741 16.141 34.075 1.00 3.65 C ATOM 275 C THR X 74 8.961 15.224 33.941 1.00 3.59 C ATOM 276 O THR X 74 9.003 14.342 33.082 1.00 3.65 O ATOM 277 CB THR X 74 7.986 17.513 33.423 1.00 3.42 C ATOM 278 OG1 THR X 74 6.836 18.343 33.635 1.00 3.83 O ATOM 279 CG2 THR X 74 8.207 17.398 31.933 1.00 3.73 C ATOM 280 HG1 THR X 74 6.687 18.457 34.607 1.00 0.00 H ATOM 281 H THR X 74 7.591 17.222 35.939 1.00 0.00 H ATOM 282 N ALA X 75 9.953 15.415 34.807 1.00 3.60 N ATOM 283 CA ALA X 75 11.128 14.559 34.803 1.00 3.58 C ATOM 284 C ALA X 75 10.744 13.105 35.109 1.00 3.31 C ATOM 285 O ALA X 75 11.232 12.181 34.461 1.00 3.73 O ATOM 286 CB ALA X 75 12.153 15.063 35.823 1.00 3.96 C ATOM 287 H ALA X 75 9.887 16.189 35.498 1.00 0.00 H ATOM 288 N GLU X 76 9.867 12.898 36.087 1.00 3.42 N ATOM 289 CA GLU X 76 9.507 11.545 36.498 1.00 4.14 C ATOM 290 C GLU X 76 8.789 10.819 35.369 1.00 3.34 C ATOM 291 O GLU X 76 9.025 9.629 35.135 1.00 4.11 O ATOM 292 CB GLU X 76 8.653 11.586 37.750 1.00 4.03 C ATOM 293 CG GLU X 76 8.056 10.231 38.148 1.00 4.37 C ATOM 294 CD GLU X 76 9.064 9.143 38.438 1.00 4.55 C ATOM 295 OE1 GLU X 76 10.259 9.431 38.670 1.00 4.09 O ATOM 296 OE2 GLU X 76 8.643 7.962 38.452 1.00 5.59 O ATOM 297 H GLU X 76 9.432 13.712 36.566 1.00 0.00 H ATOM 298 N ASN X 77 7.892 11.511 34.677 1.00 3.57 N ATOM 299 CA ASN X 77 7.226 10.925 33.530 1.00 3.37 C ATOM 300 C ASN X 77 8.237 10.411 32.512 1.00 3.38 C ATOM 301 O ASN X 77 8.193 9.253 32.082 1.00 3.88 O ATOM 302 CB ASN X 77 6.307 11.957 32.890 1.00 3.99 C ATOM 303 CG ASN X 77 5.588 11.423 31.670 1.00 4.07 C ATOM 304 OD1 ASN X 77 4.845 10.442 31.759 1.00 4.81 O ATOM 305 ND2 ASN X 77 5.779 12.071 30.532 1.00 4.09 N ATOM 306 HD22 ASN X 77 6.415 12.894 30.502 1.00 0.00 H ATOM 307 HD21 ASN X 77 5.294 11.758 29.667 1.00 0.00 H ATOM 308 H ASN X 77 7.664 12.485 34.961 1.00 0.00 H ATOM 309 N PHE X 78 9.162 11.273 32.113 1.00 3.67 N ATOM 310 CA PHE X 78 10.139 10.886 31.101 1.00 3.36 C ATOM 311 C PHE X 78 11.017 9.733 31.591 1.00 3.23 C ATOM 312 O PHE X 78 11.287 8.791 30.849 1.00 3.48 O ATOM 313 CB PHE X 78 10.978 12.092 30.699 1.00 3.65 C ATOM 314 CG PHE X 78 11.768 11.892 29.437 1.00 3.46 C ATOM 315 CD1 PHE X 78 11.228 12.220 28.208 1.00 3.59 C ATOM 316 CD2 PHE X 78 13.059 11.388 29.471 1.00 3.42 C ATOM 317 CE1 PHE X 78 11.948 12.042 27.054 1.00 4.25 C ATOM 318 CE2 PHE X 78 13.798 11.224 28.316 1.00 4.23 C ATOM 319 CZ PHE X 78 13.248 11.549 27.106 1.00 4.51 C ATOM 320 H PHE X 78 9.191 12.228 32.523 1.00 0.00 H ATOM 321 N ARG X 79 11.456 9.806 32.845 1.00 3.37 N ATOM 322 CA ARG X 79 12.292 8.769 33.423 1.00 3.85 C ATOM 323 C ARG X 79 11.611 7.404 33.320 1.00 3.52 C ATOM 324 O ARG X 79 12.206 6.423 32.843 1.00 3.86 O ATOM 325 CB ARG X 79 12.582 9.097 34.887 1.00 4.03 C ATOM 326 CG ARG X 79 13.527 8.117 35.556 1.00 4.44 C ATOM 327 CD ARG X 79 13.409 8.118 37.082 1.00 4.53 C ATOM 328 NE ARG X 79 12.109 7.616 37.511 1.00 4.63 N ATOM 329 CZ ARG X 79 11.760 6.335 37.497 1.00 4.81 C ATOM 330 NH1 ARG X 79 12.631 5.391 37.146 1.00 5.22 N ATOM 331 NH2 ARG X 79 10.529 5.994 37.834 1.00 5.11 N ATOM 332 HE ARG X 79 11.409 8.307 37.850 1.00 0.00 H ATOM 333 HH12 ARG X 79 12.341 4.392 37.140 1.00 0.00 H ATOM 334 HH11 ARG X 79 13.601 5.652 36.877 1.00 0.00 H ATOM 335 HH22 ARG X 79 10.246 4.993 37.826 1.00 0.00 H ATOM 336 HH21 ARG X 79 9.843 6.726 38.107 1.00 0.00 H ATOM 337 H ARG X 79 11.193 10.627 33.426 1.00 0.00 H ATOM 338 N ALA X 80 10.368 7.332 33.781 1.00 3.45 N ATOM 339 CA ALA X 80 9.647 6.073 33.786 1.00 3.82 C ATOM 340 C ALA X 80 9.333 5.588 32.371 1.00 4.04 C ATOM 341 O ALA X 80 9.292 4.379 32.131 1.00 4.47 O ATOM 342 CB ALA X 80 8.382 6.206 34.613 1.00 4.45 C ATOM 343 H ALA X 80 9.905 8.190 34.143 1.00 0.00 H ATOM 344 N LEU X 81 9.097 6.501 31.428 1.00 3.61 N ATOM 345 CA LEU X 81 8.888 6.083 30.048 1.00 3.80 C ATOM 346 C LEU X 81 10.176 5.538 29.431 1.00 3.75 C ATOM 347 O LEU X 81 10.117 4.682 28.553 1.00 4.35 O ATOM 348 CB LEU X 81 8.307 7.229 29.209 1.00 3.96 C ATOM 349 CG LEU X 81 6.902 7.673 29.628 1.00 4.19 C ATOM 350 CD1 LEU X 81 6.507 8.895 28.856 1.00 5.11 C ATOM 351 CD2 LEU X 81 5.885 6.557 29.438 1.00 5.54 C ATOM 352 H LEU X 81 9.062 7.510 31.677 1.00 0.00 H ATOM 353 N CYS X 82 11.332 6.010 29.894 1.00 3.90 N ATOM 354 CA CYS X 82 12.609 5.432 29.459 1.00 3.94 C ATOM 355 C CYS X 82 12.813 4.028 30.032 1.00 3.97 C ATOM 356 O CYS X 82 13.264 3.129 29.319 1.00 4.94 O ATOM 357 CB CYS X 82 13.791 6.321 29.844 1.00 4.50 C ATOM 358 SG CYS X 82 13.924 7.830 28.866 1.00 4.26 S ATOM 359 H CYS X 82 11.330 6.798 30.572 1.00 0.00 H ATOM 360 N THR X 83 12.521 3.820 31.312 1.00 4.60 N ATOM 361 CA THR X 83 12.751 2.487 31.883 1.00 4.67 C ATOM 362 C THR X 83 11.701 1.505 31.407 1.00 4.90 C ATOM 363 O THR X 83 11.949 0.309 31.410 1.00 5.85 O ATOM 364 CB THR X 83 12.739 2.475 33.394 1.00 4.81 C ATOM 365 OG1 THR X 83 11.417 2.787 33.826 1.00 5.16 O ATOM 366 CG2 THR X 83 13.741 3.450 33.983 1.00 5.50 C ATOM 367 HG1 THR X 83 11.385 2.785 34.815 1.00 0.00 H ATOM 368 H THR X 83 12.136 4.588 31.899 1.00 0.00 H ATOM 369 N GLY X 84 10.523 1.990 31.036 1.00 4.69 N ATOM 370 CA GLY X 84 9.421 1.114 30.689 1.00 5.33 C ATOM 371 C GLY X 84 8.741 0.455 31.874 1.00 5.60 C ATOM 372 O GLY X 84 7.917 -0.443 31.688 1.00 6.03 O ATOM 373 H GLY X 84 10.387 3.020 30.993 1.00 0.00 H ATOM 374 N GLU X 85 9.052 0.913 33.083 1.00 5.86 N ATOM 375 CA GLU X 85 8.617 0.216 34.290 1.00 6.60 C ATOM 376 C GLU X 85 7.110 0.181 34.514 1.00 7.20 C ATOM 377 O GLU X 85 6.643 -0.673 35.267 1.00 7.79 O ATOM 378 CB GLU X 85 9.322 0.791 35.521 1.00 6.61 C ATOM 379 CG GLU X 85 8.964 2.235 35.829 1.00 6.95 C ATOM 380 CD GLU X 85 9.932 2.848 36.823 1.00 7.43 C ATOM 381 OE1 GLU X 85 11.134 2.956 36.491 1.00 7.55 O ATOM 382 OE2 GLU X 85 9.498 3.203 37.940 1.00 7.39 O ATOM 383 H GLU X 85 9.615 1.783 33.170 1.00 0.00 H ATOM 384 N LYS X 86 6.343 1.065 33.874 1.00 6.96 N ATOM 385 CA LYS X 86 4.879 1.014 33.972 1.00 7.71 C ATOM 386 C LYS X 86 4.253 0.063 32.946 1.00 8.31 C ATOM 387 O LYS X 86 3.036 -0.112 32.928 1.00 10.52 O ATOM 388 CB LYS X 86 4.280 2.406 33.789 1.00 8.34 C ATOM 389 CG LYS X 86 4.899 3.495 34.649 1.00 9.09 C ATOM 390 CD LYS X 86 4.806 3.258 36.134 1.00 9.44 C ATOM 391 CE LYS X 86 5.311 4.494 36.863 1.00 9.75 C ATOM 392 NZ LYS X 86 5.212 4.396 38.333 1.00 9.38 N ATOM 393 HZ1 LYS X 86 4.217 4.260 38.604 1.00 0.00 H ATOM 394 HZ2 LYS X 86 5.776 3.588 38.664 1.00 0.00 H ATOM 395 HZ3 LYS X 86 5.573 5.272 38.763 1.00 0.00 H ATOM 396 H LYS X 86 6.790 1.804 33.295 1.00 0.00 H ATOM 397 N GLY X 87 5.068 -0.541 32.085 1.00 8.09 N ATOM 398 CA GLY X 87 4.565 -1.467 31.080 1.00 8.24 C ATOM 399 C GLY X 87 4.454 -0.870 29.688 1.00 7.75 C ATOM 400 O GLY X 87 3.996 -1.540 28.770 1.00 9.25 O ATOM 401 H GLY X 87 6.089 -0.347 32.131 1.00 0.00 H ATOM 402 N PHE X 88 4.895 0.374 29.527 1.00 6.75 N ATOM 403 CA PHE X 88 4.876 1.059 28.238 1.00 6.54 C ATOM 404 C PHE X 88 5.937 2.144 28.285 1.00 5.87 C ATOM 405 O PHE X 88 6.437 2.496 29.362 1.00 6.15 O ATOM 406 CB PHE X 88 3.495 1.653 27.925 1.00 6.55 C ATOM 407 CG PHE X 88 2.946 2.526 29.016 1.00 6.53 C ATOM 408 CD1 PHE X 88 3.268 3.866 29.077 1.00 7.05 C ATOM 409 CD2 PHE X 88 2.088 2.006 29.970 1.00 7.89 C ATOM 410 CE1 PHE X 88 2.758 4.666 30.070 1.00 7.88 C ATOM 411 CE2 PHE X 88 1.577 2.808 30.958 1.00 9.23 C ATOM 412 CZ PHE X 88 1.917 4.140 31.010 1.00 9.27 C ATOM 413 H PHE X 88 5.269 0.881 30.355 1.00 0.00 H ATOM 414 N GLY X 89 6.279 2.695 27.130 1.00 5.81 N ATOM 415 CA GLY X 89 7.323 3.695 27.085 1.00 5.91 C ATOM 416 C GLY X 89 7.963 3.827 25.733 1.00 5.46 C ATOM 417 O GLY X 89 7.422 3.380 24.731 1.00 5.85 O ATOM 418 H GLY X 89 5.796 2.408 26.255 1.00 0.00 H ATOM 419 N TYR X 90 9.122 4.472 25.711 1.00 4.71 N ATOM 420 CA TYR X 90 9.729 4.891 24.460 1.00 5.13 C ATOM 421 C TYR X 90 10.378 3.777 23.648 1.00 5.28 C ATOM 422 O TYR X 90 10.607 3.958 22.454 1.00 6.07 O ATOM 423 CB TYR X 90 10.772 5.977 24.709 1.00 4.91 C ATOM 424 CG TYR X 90 10.198 7.265 25.261 1.00 4.53 C ATOM 425 CD1 TYR X 90 9.148 7.921 24.630 1.00 4.62 C ATOM 426 CD2 TYR X 90 10.730 7.845 26.413 1.00 4.38 C ATOM 427 CE1 TYR X 90 8.638 9.109 25.137 1.00 4.14 C ATOM 428 CE2 TYR X 90 10.225 9.029 26.919 1.00 4.34 C ATOM 429 CZ TYR X 90 9.185 9.660 26.282 1.00 4.00 C ATOM 430 OH TYR X 90 8.701 10.832 26.805 1.00 4.45 O ATOM 431 HH TYR X 90 7.959 11.163 26.239 1.00 0.00 H ATOM 432 H TYR X 90 9.606 4.682 26.608 1.00 0.00 H ATOM 433 N LYS X 91 10.689 2.643 24.265 1.00 5.68 N ATOM 434 CA LYS X 91 11.399 1.599 23.545 1.00 6.02 C ATOM 435 C LYS X 91 10.620 1.220 22.289 1.00 6.47 C ATOM 436 O LYS X 91 9.436 0.890 22.354 1.00 6.97 O ATOM 437 CB LYS X 91 11.605 0.381 24.436 1.00 6.91 C ATOM 438 CG LYS X 91 12.404 -0.709 23.759 1.00 8.41 C ATOM 439 CD LYS X 91 12.498 -1.963 24.621 1.00 12.53 C ATOM 440 CE LYS X 91 13.457 -2.977 24.024 1.00 14.68 C ATOM 441 NZ LYS X 91 14.876 -2.534 24.142 1.00 18.21 N ATOM 442 HZ1 LYS X 91 14.999 -1.632 23.639 1.00 0.00 H ATOM 443 HZ2 LYS X 91 15.116 -2.408 25.146 1.00 0.00 H ATOM 444 HZ3 LYS X 91 15.499 -3.254 23.723 1.00 0.00 H ATOM 445 H LYS X 91 10.425 2.502 25.261 1.00 0.00 H ATOM 446 N GLY X 92 11.295 1.283 21.146 1.00 7.18 N ATOM 447 CA GLY X 92 10.711 0.886 19.880 1.00 8.95 C ATOM 448 C GLY X 92 10.033 2.008 19.128 1.00 9.90 C ATOM 449 O GLY X 92 9.611 1.811 17.986 1.00 12.02 O ATOM 450 H GLY X 92 12.276 1.629 21.160 1.00 0.00 H ATOM 451 N SER X 93 9.912 3.185 19.737 1.00 9.06 N ATOM 452 CA SER X 93 9.218 4.294 19.084 1.00 9.18 C ATOM 453 C SER X 93 10.173 5.126 18.224 1.00 8.27 C ATOM 454 O SER X 93 11.380 4.901 18.220 1.00 9.22 O ATOM 455 CB SER X 93 8.471 5.154 20.111 1.00 9.64 C ATOM 456 OG SER X 93 9.335 5.847 20.979 1.00 9.15 O ATOM 457 HG SER X 93 8.800 6.383 21.617 1.00 0.00 H ATOM 458 H SER X 93 10.315 3.317 20.687 1.00 0.00 H ATOM 459 N THR X 94 9.615 6.077 17.483 1.00 7.74 N ATOM 460 CA THR X 94 10.362 6.756 16.441 1.00 7.71 C ATOM 461 C THR X 94 10.516 8.256 16.677 1.00 7.52 C ATOM 462 O THR X 94 9.759 8.859 17.444 1.00 7.36 O ATOM 463 CB THR X 94 9.660 6.601 15.080 1.00 7.83 C ATOM 464 OG1 THR X 94 8.422 7.323 15.095 1.00 8.37 O ATOM 465 CG2 THR X 94 9.387 5.143 14.777 1.00 8.26 C ATOM 466 HG1 THR X 94 7.972 7.222 14.219 1.00 0.00 H ATOM 467 H THR X 94 8.623 6.340 17.653 1.00 0.00 H ATOM 468 N PHE X 95 11.495 8.840 15.989 1.00 6.96 N ATOM 469 CA PHE X 95 11.549 10.280 15.765 1.00 6.69 C ATOM 470 C PHE X 95 10.747 10.538 14.490 1.00 6.92 C ATOM 471 O PHE X 95 11.190 10.207 13.391 1.00 8.70 O ATOM 472 CB PHE X 95 12.999 10.771 15.599 1.00 6.93 C ATOM 473 CG PHE X 95 13.750 10.931 16.904 1.00 6.69 C ATOM 474 CD1 PHE X 95 14.260 9.836 17.582 1.00 6.83 C ATOM 475 CD2 PHE X 95 13.918 12.186 17.463 1.00 6.37 C ATOM 476 CE1 PHE X 95 14.935 9.988 18.775 1.00 6.62 C ATOM 477 CE2 PHE X 95 14.597 12.349 18.665 1.00 6.55 C ATOM 478 CZ PHE X 95 15.103 11.241 19.326 1.00 7.19 C ATOM 479 H PHE X 95 12.252 8.245 15.595 1.00 0.00 H ATOM 480 N HIS X 96 9.552 11.091 14.640 1.00 6.74 N ATOM 481 CA HIS X 96 8.639 11.247 13.511 1.00 6.83 C ATOM 482 C HIS X 96 8.731 12.588 12.810 1.00 6.35 C ATOM 483 O HIS X 96 8.330 12.697 11.649 1.00 6.73 O ATOM 484 CB HIS X 96 7.191 11.016 13.947 1.00 7.33 C ATOM 485 CG HIS X 96 6.690 12.019 14.933 1.00 6.62 C ATOM 486 ND1 HIS X 96 6.925 11.907 16.286 1.00 6.25 N ATOM 487 CD2 HIS X 96 5.971 13.156 14.764 1.00 6.95 C ATOM 488 CE1 HIS X 96 6.369 12.935 16.903 1.00 6.46 C ATOM 489 NE2 HIS X 96 5.779 13.704 16.005 1.00 6.93 N ATOM 490 H HIS X 96 9.258 11.421 15.582 1.00 0.00 H ATOM 491 N ARG X 97 9.253 13.599 13.500 1.00 5.90 N ATOM 492 CA ARG X 97 9.381 14.936 12.914 1.00 5.46 C ATOM 493 C ARG X 97 10.767 15.464 13.228 1.00 5.00 C ATOM 494 O ARG X 97 11.108 15.640 14.399 1.00 5.25 O ATOM 495 CB ARG X 97 8.321 15.912 13.442 1.00 5.91 C ATOM 496 CG ARG X 97 8.487 17.319 12.887 1.00 6.24 C ATOM 497 CD ARG X 97 7.632 18.371 13.558 1.00 6.76 C ATOM 498 NE ARG X 97 6.265 18.390 13.056 1.00 6.22 N ATOM 499 CZ ARG X 97 5.176 18.467 13.812 1.00 5.65 C ATOM 500 NH1 ARG X 97 5.254 18.428 15.139 1.00 4.92 N ATOM 501 NH2 ARG X 97 3.998 18.548 13.221 1.00 6.22 N ATOM 502 HE ARG X 97 6.131 18.339 12.026 1.00 0.00 H ATOM 503 HH12 ARG X 97 4.389 18.490 15.713 1.00 0.00 H ATOM 504 HH11 ARG X 97 6.180 18.336 15.603 1.00 0.00 H ATOM 505 HH22 ARG X 97 3.132 18.609 13.794 1.00 0.00 H ATOM 506 HH21 ARG X 97 3.936 18.551 12.183 1.00 0.00 H ATOM 507 H ARG X 97 9.577 13.437 14.475 1.00 0.00 H ATOM 508 N VAL X 98 11.573 15.694 12.198 1.00 4.97 N ATOM 509 CA VAL X 98 12.932 16.169 12.386 1.00 4.84 C ATOM 510 C VAL X 98 13.150 17.299 11.394 1.00 5.11 C ATOM 511 O VAL X 98 12.979 17.108 10.184 1.00 6.02 O ATOM 512 CB VAL X 98 13.959 15.035 12.175 1.00 5.77 C ATOM 513 CG1 VAL X 98 15.375 15.563 12.280 1.00 6.46 C ATOM 514 CG2 VAL X 98 13.733 13.910 13.163 1.00 6.29 C ATOM 515 H VAL X 98 11.222 15.530 11.233 1.00 0.00 H ATOM 516 N ILE X 99 13.486 18.476 11.912 1.00 5.37 N ATOM 517 CA ILE X 99 13.644 19.667 11.084 1.00 5.83 C ATOM 518 C ILE X 99 15.045 20.227 11.298 1.00 6.03 C ATOM 519 O ILE X 99 15.377 20.666 12.399 1.00 5.64 O ATOM 520 CB ILE X 99 12.575 20.727 11.417 1.00 6.11 C ATOM 521 CG1 ILE X 99 11.181 20.150 11.146 1.00 6.85 C ATOM 522 CG2 ILE X 99 12.821 21.990 10.616 1.00 6.29 C ATOM 523 CD1 ILE X 99 10.051 21.033 11.613 1.00 7.92 C ATOM 524 H ILE X 99 13.641 18.550 12.938 1.00 0.00 H ATOM 525 N PRO X 100 15.879 20.193 10.249 1.00 6.86 N ATOM 526 CA PRO X 100 17.238 20.718 10.394 1.00 7.29 C ATOM 527 C PRO X 100 17.228 22.177 10.846 1.00 7.51 C ATOM 528 O PRO X 100 16.380 22.965 10.418 1.00 7.99 O ATOM 529 CB PRO X 100 17.827 20.547 8.992 1.00 8.62 C ATOM 530 CG PRO X 100 17.083 19.367 8.426 1.00 9.27 C ATOM 531 CD PRO X 100 15.677 19.546 8.941 1.00 8.21 C ATOM 532 N SER X 101 18.175 22.509 11.718 1.00 7.90 N ATOM 533 CA SER X 101 18.310 23.842 12.306 1.00 8.99 C ATOM 534 C SER X 101 17.112 24.204 13.179 1.00 7.49 C ATOM 535 O SER X 101 16.815 25.372 13.380 1.00 8.86 O ATOM 536 CB SER X 101 18.543 24.905 11.224 1.00 11.23 C ATOM 537 OG SER X 101 19.731 24.623 10.519 1.00 14.20 O ATOM 538 HG SER X 101 19.873 25.314 9.824 1.00 0.00 H ATOM 539 H SER X 101 18.860 21.778 11.999 1.00 0.00 H ATOM 540 N PHE X 102 16.443 23.193 13.716 1.00 6.08 N ATOM 541 CA PHE X 102 15.347 23.420 14.657 1.00 5.30 C ATOM 542 C PHE X 102 15.391 22.363 15.774 1.00 4.79 C ATOM 543 O PHE X 102 15.859 22.645 16.874 1.00 5.28 O ATOM 544 CB PHE X 102 14.012 23.433 13.907 1.00 5.52 C ATOM 545 CG PHE X 102 12.791 23.677 14.768 1.00 5.82 C ATOM 546 CD1 PHE X 102 12.875 24.172 16.067 1.00 6.28 C ATOM 547 CD2 PHE X 102 11.543 23.413 14.249 1.00 7.00 C ATOM 548 CE1 PHE X 102 11.722 24.379 16.817 1.00 6.21 C ATOM 549 CE2 PHE X 102 10.409 23.623 14.989 1.00 7.50 C ATOM 550 CZ PHE X 102 10.495 24.103 16.267 1.00 6.74 C ATOM 551 H PHE X 102 16.703 22.218 13.463 1.00 0.00 H ATOM 552 N MET X 103 14.898 21.159 15.508 1.00 4.63 N ATOM 553 CA MET X 103 14.765 20.166 16.567 1.00 4.63 C ATOM 554 C MET X 103 14.444 18.791 15.990 1.00 4.34 C ATOM 555 O MET X 103 14.094 18.635 14.809 1.00 4.94 O ATOM 556 CB MET X 103 13.687 20.591 17.578 1.00 4.54 C ATOM 557 CG MET X 103 12.291 20.730 17.004 1.00 5.40 C ATOM 558 SD MET X 103 11.434 19.152 16.875 1.00 5.24 S ATOM 559 CE MET X 103 10.817 19.244 15.204 1.00 6.67 C ATOM 560 H MET X 103 14.605 20.923 14.538 1.00 0.00 H ATOM 561 N CYS X 104 14.583 17.793 16.854 1.00 3.89 N ATOM 562 CA CYS X 104 14.236 16.404 16.580 1.00 4.25 C ATOM 563 C CYS X 104 13.142 15.980 17.557 1.00 3.94 C ATOM 564 O CYS X 104 13.351 16.043 18.762 1.00 4.29 O ATOM 565 CB CYS X 104 15.465 15.507 16.801 1.00 4.64 C ATOM 566 SG CYS X 104 16.960 15.985 15.898 1.00 5.64 S ATOM 567 H CYS X 104 14.967 18.018 17.794 1.00 0.00 H ATOM 568 N GLN X 105 11.996 15.541 17.040 1.00 3.41 N ATOM 569 CA GLN X 105 10.821 15.229 17.846 1.00 4.09 C ATOM 570 C GLN X 105 10.480 13.740 17.788 1.00 3.90 C ATOM 571 O GLN X 105 10.523 13.120 16.722 1.00 4.74 O ATOM 572 CB GLN X 105 9.625 16.053 17.359 1.00 4.66 C ATOM 573 CG GLN X 105 8.353 15.883 18.171 1.00 4.76 C ATOM 574 CD GLN X 105 7.229 16.782 17.680 1.00 4.51 C ATOM 575 OE1 GLN X 105 7.442 17.707 16.897 1.00 5.48 O ATOM 576 NE2 GLN X 105 6.030 16.518 18.147 1.00 4.82 N ATOM 577 HE22 GLN X 105 5.892 15.727 18.807 1.00 0.00 H ATOM 578 HE21 GLN X 105 5.219 17.100 17.856 1.00 0.00 H ATOM 579 H GLN X 105 11.936 15.414 16.010 1.00 0.00 H ATOM 580 N ALA X 106 10.107 13.187 18.936 1.00 4.20 N ATOM 581 CA ALA X 106 9.873 11.762 19.094 1.00 4.66 C ATOM 582 C ALA X 106 8.817 11.513 20.151 1.00 5.01 C ATOM 583 O ALA X 106 8.269 12.441 20.749 1.00 5.87 O ATOM 584 CB ALA X 106 11.163 11.072 19.513 1.00 5.03 C ATOM 585 H ALA X 106 9.976 13.804 19.763 1.00 0.00 H ATOM 586 N GLY X 107 8.538 10.241 20.382 1.00 6.97 N ATOM 587 CA GLY X 107 7.846 9.828 21.584 1.00 7.34 C ATOM 588 C GLY X 107 6.399 9.431 21.456 1.00 6.30 C ATOM 589 O GLY X 107 5.770 9.195 22.482 1.00 5.93 O ATOM 590 H GLY X 107 8.822 9.523 19.685 1.00 0.00 H ATOM 591 N ASP X 108 5.866 9.340 20.241 1.00 6.68 N ATOM 592 CA ASP X 108 4.499 8.860 20.068 1.00 7.46 C ATOM 593 C ASP X 108 4.489 7.343 19.936 1.00 8.40 C ATOM 594 O ASP X 108 4.636 6.810 18.841 1.00 9.71 O ATOM 595 CB ASP X 108 3.841 9.492 18.842 1.00 8.48 C ATOM 596 CG ASP X 108 2.448 8.948 18.594 1.00 8.91 C ATOM 597 OD1 ASP X 108 1.960 8.144 19.420 1.00 9.64 O ATOM 598 OD2 ASP X 108 1.841 9.347 17.578 1.00 8.53 O ATOM 599 H ASP X 108 6.427 9.613 19.409 1.00 0.00 H ATOM 600 N PHE X 109 4.531 6.671 21.081 1.00 8.02 N ATOM 601 CA PHE X 109 4.713 5.225 21.112 1.00 8.12 C ATOM 602 C PHE X 109 3.371 4.517 21.050 1.00 9.16 C ATOM 603 O PHE X 109 3.318 3.287 21.123 1.00 10.35 O ATOM 604 CB PHE X 109 5.514 4.771 22.343 1.00 7.00 C ATOM 605 CG PHE X 109 4.906 5.171 23.660 1.00 6.06 C ATOM 606 CD1 PHE X 109 3.849 4.465 24.213 1.00 6.83 C ATOM 607 CD2 PHE X 109 5.419 6.246 24.360 1.00 6.21 C ATOM 608 CE1 PHE X 109 3.308 4.848 25.429 1.00 7.38 C ATOM 609 CE2 PHE X 109 4.883 6.632 25.563 1.00 6.83 C ATOM 610 CZ PHE X 109 3.832 5.937 26.100 1.00 7.22 C ATOM 611 H PHE X 109 4.432 7.189 21.977 1.00 0.00 H ATOM 612 N THR X 110 2.287 5.276 20.894 1.00 9.57 N ATOM 613 CA THR X 110 0.957 4.673 20.768 1.00 10.91 C ATOM 614 C THR X 110 0.415 4.649 19.341 1.00 12.98 C ATOM 615 O THR X 110 -0.245 3.685 18.949 1.00 15.50 O ATOM 616 CB THR X 110 -0.064 5.377 21.676 1.00 11.30 C ATOM 617 OG1 THR X 110 -0.355 6.681 21.178 1.00 10.24 O ATOM 618 CG2 THR X 110 0.520 5.563 23.026 1.00 13.89 C ATOM 619 HG1 THR X 110 -1.013 7.121 21.773 1.00 0.00 H ATOM 620 H THR X 110 2.386 6.311 20.861 1.00 0.00 H ATOM 621 N ASN X 111 0.671 5.706 18.575 1.00 13.09 N ATOM 622 CA ASN X 111 0.165 5.795 17.208 1.00 14.92 C ATOM 623 C ASN X 111 1.291 5.842 16.191 1.00 15.14 C ATOM 624 O ASN X 111 1.063 5.699 14.985 1.00 16.71 O ATOM 625 CB ASN X 111 -0.719 7.028 17.043 1.00 17.36 C ATOM 626 CG ASN X 111 -2.005 6.923 17.821 1.00 18.45 C ATOM 627 OD1 ASN X 111 -2.401 5.836 18.244 1.00 18.03 O ATOM 628 ND2 ASN X 111 -2.677 8.051 18.004 1.00 19.47 N ATOM 629 HD22 ASN X 111 -2.303 8.946 17.628 1.00 0.00 H ATOM 630 HD21 ASN X 111 -3.578 8.041 18.523 1.00 0.00 H ATOM 631 H ASN X 111 1.244 6.485 18.958 1.00 0.00 H ATOM 632 N HIS X 112 2.503 6.035 16.695 1.00 14.02 N ATOM 633 CA HIS X 112 3.703 6.105 15.877 1.00 14.95 C ATOM 634 C HIS X 112 3.487 7.001 14.675 1.00 14.00 C ATOM 635 O HIS X 112 3.987 6.710 13.587 1.00 14.69 O ATOM 636 CB HIS X 112 4.148 4.703 15.442 1.00 16.97 C ATOM 637 CG HIS X 112 4.394 3.776 16.591 1.00 16.49 C ATOM 638 ND1 HIS X 112 5.551 3.807 17.346 1.00 15.05 N ATOM 639 CD2 HIS X 112 3.618 2.808 17.132 1.00 17.21 C ATOM 640 CE1 HIS X 112 5.477 2.889 18.293 1.00 16.38 C ATOM 641 NE2 HIS X 112 4.316 2.268 18.184 1.00 16.84 N ATOM 642 H HIS X 112 2.599 6.141 17.725 1.00 0.00 H ATOM 643 N ASN X 113 2.750 8.097 14.874 1.00 12.00 N ATOM 644 CA ASN X 113 2.563 9.063 13.795 1.00 10.88 C ATOM 645 C ASN X 113 2.572 10.541 14.207 1.00 9.94 C ATOM 646 O ASN X 113 2.465 11.413 13.342 1.00 9.88 O ATOM 647 CB ASN X 113 1.301 8.749 12.962 1.00 12.40 C ATOM 648 CG ASN X 113 0.005 8.938 13.732 1.00 13.44 C ATOM 649 OD1 ASN X 113 -0.031 9.594 14.766 1.00 11.55 O ATOM 650 ND2 ASN X 113 -1.078 8.361 13.213 1.00 16.03 N ATOM 651 HD22 ASN X 113 -1.004 7.812 12.333 1.00 0.00 H ATOM 652 HD21 ASN X 113 -1.998 8.459 13.688 1.00 0.00 H ATOM 653 H ASN X 113 2.308 8.263 15.801 1.00 0.00 H ATOM 654 N GLY X 114 2.695 10.840 15.498 1.00 10.28 N ATOM 655 CA GLY X 114 2.798 12.225 15.918 1.00 8.62 C ATOM 656 C GLY X 114 1.498 12.791 16.479 1.00 7.90 C ATOM 657 O GLY X 114 1.448 13.953 16.888 1.00 7.14 O ATOM 658 H GLY X 114 2.717 10.080 16.207 1.00 0.00 H ATOM 659 N THR X 115 0.470 11.947 16.545 1.00 8.99 N ATOM 660 CA THR X 115 -0.882 12.372 16.915 1.00 9.23 C ATOM 661 C THR X 115 -1.239 12.192 18.393 1.00 8.27 C ATOM 662 O THR X 115 -2.063 12.932 18.933 1.00 7.56 O ATOM 663 CB THR X 115 -1.937 11.595 16.096 1.00 10.05 C ATOM 664 OG1 THR X 115 -1.748 10.182 16.270 1.00 8.56 O ATOM 665 CG2 THR X 115 -1.830 11.945 14.618 1.00 13.16 C ATOM 666 HG1 THR X 115 -0.842 9.931 15.959 1.00 0.00 H ATOM 667 H THR X 115 0.634 10.944 16.325 1.00 0.00 H ATOM 668 N GLY X 116 -0.642 11.204 19.045 1.00 7.96 N ATOM 669 CA GLY X 116 -1.046 10.871 20.396 1.00 7.37 C ATOM 670 C GLY X 116 0.114 10.798 21.352 1.00 6.02 C ATOM 671 O GLY X 116 1.082 11.546 21.259 1.00 4.34 O ATOM 672 H GLY X 116 0.120 10.666 18.585 1.00 0.00 H ATOM 673 N GLY X 117 0.020 9.869 22.284 1.00 8.59 N ATOM 674 CA GLY X 117 1.053 9.716 23.276 1.00 10.22 C ATOM 675 C GLY X 117 0.395 9.324 24.565 1.00 9.20 C ATOM 676 O GLY X 117 -0.833 9.365 24.652 1.00 9.54 O ATOM 677 H GLY X 117 -0.809 9.241 22.303 1.00 0.00 H ATOM 678 N LYS X 118 1.158 8.955 25.584 1.00 7.55 N ATOM 679 CA LYS X 118 0.505 9.021 26.875 1.00 6.69 C ATOM 680 C LYS X 118 1.545 9.119 27.968 1.00 5.12 C ATOM 681 O LYS X 118 2.684 8.704 27.793 1.00 4.92 O ATOM 682 CB LYS X 118 -0.440 7.859 27.122 1.00 8.30 C ATOM 683 CG LYS X 118 0.223 6.544 27.153 1.00 8.22 C ATOM 684 CD LYS X 118 -0.792 5.412 27.394 1.00 8.95 C ATOM 685 CE LYS X 118 -0.145 4.064 27.313 1.00 9.93 C ATOM 686 NZ LYS X 118 -1.118 2.948 27.517 1.00 10.95 N ATOM 687 HZ1 LYS X 118 -1.555 3.038 28.457 1.00 0.00 H ATOM 688 HZ2 LYS X 118 -1.855 2.994 26.785 1.00 0.00 H ATOM 689 HZ3 LYS X 118 -0.619 2.038 27.451 1.00 0.00 H ATOM 690 H LYS X 118 2.143 8.644 25.466 1.00 0.00 H ATOM 691 N SER X 119 1.152 9.735 29.072 1.00 5.40 N ATOM 692 CA SER X 119 2.028 9.895 30.212 1.00 4.53 C ATOM 693 C SER X 119 1.803 8.769 31.209 1.00 4.67 C ATOM 694 O SER X 119 0.851 7.993 31.106 1.00 5.36 O ATOM 695 CB SER X 119 1.814 11.251 30.890 1.00 4.51 C ATOM 696 OG SER X 119 0.718 11.263 31.793 1.00 4.83 O ATOM 697 HG SER X 119 -0.113 11.040 31.304 1.00 0.00 H ATOM 698 H SER X 119 0.185 10.115 29.121 1.00 0.00 H ATOM 699 N ILE X 120 2.672 8.688 32.203 1.00 4.26 N ATOM 700 CA ILE X 120 2.469 7.728 33.263 1.00 4.53 C ATOM 701 C ILE X 120 1.294 8.072 34.167 1.00 5.01 C ATOM 702 O ILE X 120 0.852 7.224 34.940 1.00 6.76 O ATOM 703 CB ILE X 120 3.745 7.560 34.127 1.00 5.07 C ATOM 704 CG1 ILE X 120 4.093 8.848 34.889 1.00 5.36 C ATOM 705 CG2 ILE X 120 4.888 7.072 33.250 1.00 5.48 C ATOM 706 CD1 ILE X 120 5.211 8.673 35.925 1.00 6.14 C ATOM 707 H ILE X 120 3.501 9.315 32.221 1.00 0.00 H ATOM 708 N TYR X 121 0.799 9.303 34.081 1.00 4.21 N ATOM 709 CA TYR X 121 -0.284 9.769 34.943 1.00 4.61 C ATOM 710 C TYR X 121 -1.665 9.556 34.348 1.00 4.53 C ATOM 711 O TYR X 121 -2.660 9.565 35.072 1.00 5.28 O ATOM 712 CB TYR X 121 -0.112 11.271 35.228 1.00 4.40 C ATOM 713 CG TYR X 121 1.266 11.637 35.728 1.00 4.40 C ATOM 714 CD1 TYR X 121 1.750 11.113 36.925 1.00 5.05 C ATOM 715 CD2 TYR X 121 2.098 12.494 35.000 1.00 4.39 C ATOM 716 CE1 TYR X 121 3.010 11.429 37.377 1.00 4.93 C ATOM 717 CE2 TYR X 121 3.358 12.824 35.458 1.00 4.61 C ATOM 718 CZ TYR X 121 3.817 12.281 36.646 1.00 4.66 C ATOM 719 OH TYR X 121 5.075 12.553 37.137 1.00 5.04 O ATOM 720 HH TYR X 121 5.206 12.070 37.991 1.00 0.00 H ATOM 721 H TYR X 121 1.196 9.956 33.376 1.00 0.00 H ATOM 722 N GLY X 122 -1.717 9.407 33.028 1.00 4.78 N ATOM 723 CA GLY X 122 -2.950 9.468 32.264 1.00 5.16 C ATOM 724 C GLY X 122 -2.614 9.968 30.880 1.00 4.93 C ATOM 725 O GLY X 122 -1.438 10.054 30.519 1.00 5.43 O ATOM 726 H GLY X 122 -0.828 9.238 32.516 1.00 0.00 H ATOM 727 N SER X 123 -3.619 10.304 30.083 1.00 4.63 N ATOM 728 CA SER X 123 -3.316 10.627 28.695 1.00 5.77 C ATOM 729 C SER X 123 -2.511 11.922 28.560 1.00 5.05 C ATOM 730 O SER X 123 -1.623 12.002 27.717 1.00 6.29 O ATOM 731 CB SER X 123 -4.564 10.599 27.822 1.00 7.77 C ATOM 732 OG SER X 123 -5.438 11.632 28.157 1.00 7.24 O ATOM 733 HG SER X 123 -6.237 11.588 27.575 1.00 0.00 H ATOM 734 H SER X 123 -4.596 10.336 30.439 1.00 0.00 H ATOM 735 N ARG X 124 -2.834 12.915 29.389 1.00 4.55 N ATOM 736 CA ARG X 124 -2.196 14.226 29.330 1.00 5.11 C ATOM 737 C ARG X 124 -1.981 14.746 30.740 1.00 4.34 C ATOM 738 O ARG X 124 -2.685 14.343 31.665 1.00 5.03 O ATOM 739 CB ARG X 124 -3.078 15.210 28.571 1.00 6.75 C ATOM 740 CG ARG X 124 -3.474 14.761 27.175 1.00 7.71 C ATOM 741 CD ARG X 124 -2.333 14.822 26.181 1.00 7.27 C ATOM 742 NE ARG X 124 -2.812 14.496 24.838 1.00 7.60 N ATOM 743 CZ ARG X 124 -2.801 13.277 24.307 1.00 8.13 C ATOM 744 NH1 ARG X 124 -2.318 12.247 24.989 1.00 8.56 N ATOM 745 NH2 ARG X 124 -3.274 13.085 23.086 1.00 9.37 N ATOM 746 HE ARG X 124 -3.188 15.273 24.257 1.00 0.00 H ATOM 747 HH12 ARG X 124 -2.314 11.298 24.564 1.00 0.00 H ATOM 748 HH11 ARG X 124 -1.943 12.389 25.949 1.00 0.00 H ATOM 749 HH22 ARG X 124 -3.266 12.132 22.669 1.00 0.00 H ATOM 750 HH21 ARG X 124 -3.654 13.887 22.543 1.00 0.00 H ATOM 751 H ARG X 124 -3.569 12.749 30.106 1.00 0.00 H ATOM 752 N PHE X 125 -1.024 15.654 30.905 1.00 4.19 N ATOM 753 CA PHE X 125 -0.805 16.274 32.207 1.00 4.08 C ATOM 754 C PHE X 125 -0.408 17.743 32.049 1.00 3.94 C ATOM 755 O PHE X 125 0.023 18.178 30.972 1.00 4.17 O ATOM 756 CB PHE X 125 0.178 15.453 33.077 1.00 4.25 C ATOM 757 CG PHE X 125 1.615 15.447 32.593 1.00 4.34 C ATOM 758 CD1 PHE X 125 2.020 14.614 31.563 1.00 4.11 C ATOM 759 CD2 PHE X 125 2.574 16.234 33.212 1.00 4.85 C ATOM 760 CE1 PHE X 125 3.346 14.584 31.153 1.00 4.32 C ATOM 761 CE2 PHE X 125 3.897 16.202 32.803 1.00 4.96 C ATOM 762 CZ PHE X 125 4.280 15.373 31.781 1.00 4.84 C ATOM 763 H PHE X 125 -0.426 15.925 30.098 1.00 0.00 H ATOM 764 N PRO X 126 -0.590 18.534 33.117 1.00 4.14 N ATOM 765 CA PRO X 126 -0.402 19.982 33.008 1.00 4.66 C ATOM 766 C PRO X 126 1.015 20.424 32.723 1.00 4.06 C ATOM 767 O PRO X 126 1.985 19.717 32.997 1.00 4.08 O ATOM 768 CB PRO X 126 -0.802 20.507 34.397 1.00 6.32 C ATOM 769 CG PRO X 126 -1.646 19.442 34.998 1.00 6.11 C ATOM 770 CD PRO X 126 -1.156 18.144 34.421 1.00 4.84 C ATOM 771 N ASP X 127 1.121 21.639 32.201 1.00 3.92 N ATOM 772 CA ASP X 127 2.394 22.336 32.128 1.00 4.03 C ATOM 773 C ASP X 127 2.865 22.621 33.552 1.00 4.20 C ATOM 774 O ASP X 127 2.218 23.353 34.300 1.00 5.17 O ATOM 775 CB ASP X 127 2.235 23.644 31.363 1.00 4.49 C ATOM 776 CG ASP X 127 1.878 23.439 29.909 1.00 4.75 C ATOM 777 OD1 ASP X 127 2.395 22.477 29.296 1.00 5.32 O ATOM 778 OD2 ASP X 127 1.071 24.249 29.389 1.00 5.14 O ATOM 779 H ASP X 127 0.268 22.106 31.833 1.00 0.00 H ATOM 780 N GLU X 128 4.004 22.052 33.926 1.00 3.83 N ATOM 781 CA GLU X 128 4.458 22.123 35.304 1.00 3.99 C ATOM 782 C GLU X 128 4.915 23.549 35.662 1.00 4.10 C ATOM 783 O GLU X 128 4.481 24.131 36.653 1.00 5.46 O ATOM 784 CB GLU X 128 5.546 21.081 35.520 1.00 3.72 C ATOM 785 CG GLU X 128 5.942 20.899 36.961 1.00 4.11 C ATOM 786 CD GLU X 128 6.737 19.634 37.208 1.00 4.16 C ATOM 787 OE1 GLU X 128 7.206 19.006 36.225 1.00 4.31 O ATOM 788 OE2 GLU X 128 6.894 19.267 38.399 1.00 4.39 O ATOM 789 H GLU X 128 4.580 21.548 33.222 1.00 0.00 H ATOM 790 N ASN X 129 5.793 24.095 34.832 1.00 4.34 N ATOM 791 CA ASN X 129 6.223 25.485 34.897 1.00 4.46 C ATOM 792 C ASN X 129 7.017 25.782 33.636 1.00 4.58 C ATOM 793 O ASN X 129 7.308 24.875 32.856 1.00 4.70 O ATOM 794 CB ASN X 129 7.044 25.784 36.155 1.00 4.18 C ATOM 795 CG ASN X 129 8.308 24.958 36.245 1.00 4.49 C ATOM 796 OD1 ASN X 129 9.177 25.018 35.368 1.00 4.24 O ATOM 797 ND2 ASN X 129 8.429 24.203 37.328 1.00 5.11 N ATOM 798 HD22 ASN X 129 7.669 24.187 38.038 1.00 0.00 H ATOM 799 HD21 ASN X 129 9.284 23.627 37.468 1.00 0.00 H ATOM 800 H ASN X 129 6.200 23.493 34.088 1.00 0.00 H ATOM 801 N PHE X 130 7.349 27.054 33.433 1.00 4.25 N ATOM 802 CA PHE X 130 8.176 27.480 32.325 1.00 4.10 C ATOM 803 C PHE X 130 9.476 28.091 32.835 1.00 4.73 C ATOM 804 O PHE X 130 10.039 29.006 32.252 1.00 5.56 O ATOM 805 CB PHE X 130 7.407 28.440 31.418 1.00 4.54 C ATOM 806 CG PHE X 130 6.152 27.836 30.850 1.00 5.06 C ATOM 807 CD1 PHE X 130 6.217 26.770 29.965 1.00 5.66 C ATOM 808 CD2 PHE X 130 4.907 28.304 31.235 1.00 6.14 C ATOM 809 CE1 PHE X 130 5.065 26.194 29.455 1.00 6.08 C ATOM 810 CE2 PHE X 130 3.748 27.726 30.736 1.00 6.79 C ATOM 811 CZ PHE X 130 3.824 26.671 29.845 1.00 6.68 C ATOM 812 H PHE X 130 6.999 27.772 34.099 1.00 0.00 H ATOM 813 N THR X 131 9.979 27.546 33.935 1.00 4.44 N ATOM 814 CA THR X 131 11.144 28.123 34.585 1.00 4.72 C ATOM 815 C THR X 131 12.419 27.972 33.758 1.00 4.43 C ATOM 816 O THR X 131 13.203 28.918 33.643 1.00 4.98 O ATOM 817 CB THR X 131 11.321 27.523 35.972 1.00 5.14 C ATOM 818 OG1 THR X 131 10.111 27.770 36.696 1.00 5.29 O ATOM 819 CG2 THR X 131 12.514 28.154 36.684 1.00 5.99 C ATOM 820 HG1 THR X 131 10.190 27.392 37.607 1.00 0.00 H ATOM 821 H THR X 131 9.535 26.696 34.337 1.00 0.00 H ATOM 822 N LEU X 132 12.613 26.789 33.171 1.00 4.24 N ATOM 823 CA LEU X 132 13.750 26.536 32.279 1.00 4.23 C ATOM 824 C LEU X 132 13.425 27.047 30.877 1.00 4.28 C ATOM 825 O LEU X 132 12.287 26.962 30.421 1.00 5.12 O ATOM 826 CB LEU X 132 14.078 25.042 32.218 1.00 4.21 C ATOM 827 CG LEU X 132 14.767 24.479 33.466 1.00 4.64 C ATOM 828 CD1 LEU X 132 14.614 22.981 33.527 1.00 5.41 C ATOM 829 CD2 LEU X 132 16.236 24.883 33.519 1.00 5.76 C ATOM 830 H LEU X 132 11.936 26.021 33.352 1.00 0.00 H ATOM 831 N LYS X 133 14.440 27.567 30.198 1.00 4.17 N ATOM 832 CA LYS X 133 14.249 28.169 28.888 1.00 4.53 C ATOM 833 C LYS X 133 14.927 27.364 27.782 1.00 4.73 C ATOM 834 O LYS X 133 15.817 26.532 28.030 1.00 4.51 O ATOM 835 CB LYS X 133 14.747 29.622 28.874 1.00 5.88 C ATOM 836 CG LYS X 133 14.237 30.487 30.036 1.00 6.31 C ATOM 837 CD LYS X 133 12.729 30.590 30.111 1.00 6.33 C ATOM 838 CE LYS X 133 12.309 31.499 31.254 1.00 6.90 C ATOM 839 NZ LYS X 133 10.826 31.596 31.367 1.00 7.08 N ATOM 840 HZ1 LYS X 133 10.437 31.981 30.483 1.00 0.00 H ATOM 841 HZ2 LYS X 133 10.430 30.650 31.539 1.00 0.00 H ATOM 842 HZ3 LYS X 133 10.580 32.225 32.158 1.00 0.00 H ATOM 843 H LYS X 133 15.394 27.543 30.612 1.00 0.00 H ATOM 844 N HIS X 134 14.489 27.618 26.554 1.00 4.65 N ATOM 845 CA HIS X 134 15.035 26.940 25.384 1.00 4.47 C ATOM 846 C HIS X 134 16.300 27.697 24.978 1.00 5.83 C ATOM 847 O HIS X 134 16.288 28.535 24.066 1.00 7.43 O ATOM 848 CB HIS X 134 14.015 26.918 24.234 1.00 4.71 C ATOM 849 CG HIS X 134 12.775 26.123 24.517 1.00 4.67 C ATOM 850 ND1 HIS X 134 11.704 26.633 25.222 1.00 4.59 N ATOM 851 CD2 HIS X 134 12.428 24.853 24.186 1.00 4.39 C ATOM 852 CE1 HIS X 134 10.762 25.708 25.317 1.00 4.18 C ATOM 853 NE2 HIS X 134 11.172 24.614 24.695 1.00 4.32 N ATOM 854 H HIS X 134 13.734 28.321 26.423 1.00 0.00 H ATOM 855 N VAL X 135 17.392 27.419 25.682 1.00 5.36 N ATOM 856 CA VAL X 135 18.563 28.281 25.625 1.00 6.21 C ATOM 857 C VAL X 135 19.514 27.994 24.474 1.00 6.43 C ATOM 858 O VAL X 135 20.341 28.839 24.154 1.00 8.24 O ATOM 859 CB VAL X 135 19.370 28.220 26.942 1.00 6.12 C ATOM 860 CG1 VAL X 135 18.574 28.800 28.094 1.00 6.77 C ATOM 861 CG2 VAL X 135 19.823 26.803 27.245 1.00 6.36 C ATOM 862 H VAL X 135 17.410 26.571 26.284 1.00 0.00 H ATOM 863 N GLY X 136 19.421 26.827 23.851 1.00 5.94 N ATOM 864 CA GLY X 136 20.368 26.454 22.821 1.00 6.17 C ATOM 865 C GLY X 136 20.231 25.001 22.411 1.00 5.89 C ATOM 866 O GLY X 136 19.315 24.288 22.830 1.00 6.17 O ATOM 867 H GLY X 136 18.656 26.170 24.106 1.00 0.00 H ATOM 868 N PRO X 137 21.164 24.546 21.575 1.00 6.24 N ATOM 869 CA PRO X 137 21.184 23.138 21.183 1.00 6.70 C ATOM 870 C PRO X 137 21.285 22.234 22.404 1.00 6.22 C ATOM 871 O PRO X 137 21.948 22.572 23.379 1.00 7.19 O ATOM 872 CB PRO X 137 22.458 23.026 20.335 1.00 7.63 C ATOM 873 CG PRO X 137 22.769 24.417 19.897 1.00 8.42 C ATOM 874 CD PRO X 137 22.300 25.297 21.020 1.00 7.35 C ATOM 875 N GLY X 138 20.616 21.089 22.339 1.00 5.19 N ATOM 876 CA GLY X 138 20.679 20.092 23.393 1.00 5.22 C ATOM 877 C GLY X 138 19.559 20.174 24.414 1.00 4.15 C ATOM 878 O GLY X 138 19.416 19.276 25.236 1.00 4.67 O ATOM 879 H GLY X 138 20.026 20.899 21.504 1.00 0.00 H ATOM 880 N VAL X 139 18.739 21.215 24.361 1.00 3.98 N ATOM 881 CA VAL X 139 17.620 21.356 25.279 1.00 3.89 C ATOM 882 C VAL X 139 16.579 20.278 24.987 1.00 3.60 C ATOM 883 O VAL X 139 16.233 20.022 23.827 1.00 4.19 O ATOM 884 CB VAL X 139 17.007 22.756 25.158 1.00 5.03 C ATOM 885 CG1 VAL X 139 15.631 22.812 25.796 1.00 5.79 C ATOM 886 CG2 VAL X 139 17.926 23.810 25.779 1.00 5.92 C ATOM 887 H VAL X 139 18.901 21.950 23.644 1.00 0.00 H ATOM 888 N LEU X 140 16.072 19.681 26.057 1.00 3.07 N ATOM 889 CA LEU X 140 15.032 18.657 26.039 1.00 3.38 C ATOM 890 C LEU X 140 13.738 19.268 26.565 1.00 3.12 C ATOM 891 O LEU X 140 13.711 19.823 27.665 1.00 3.57 O ATOM 892 CB LEU X 140 15.475 17.480 26.921 1.00 3.81 C ATOM 893 CG LEU X 140 14.492 16.326 27.102 1.00 4.02 C ATOM 894 CD1 LEU X 140 14.268 15.552 25.821 1.00 5.23 C ATOM 895 CD2 LEU X 140 14.954 15.392 28.212 1.00 4.29 C ATOM 896 H LEU X 140 16.446 19.966 26.985 1.00 0.00 H ATOM 897 N SER X 141 12.675 19.162 25.768 1.00 3.29 N ATOM 898 CA SER X 141 11.437 19.862 26.045 1.00 3.39 C ATOM 899 C SER X 141 10.239 19.020 25.608 1.00 3.25 C ATOM 900 O SER X 141 10.357 18.137 24.760 1.00 3.66 O ATOM 901 CB SER X 141 11.490 21.206 25.324 1.00 3.83 C ATOM 902 OG SER X 141 10.352 21.992 25.593 1.00 4.22 O ATOM 903 HG SER X 141 10.425 22.852 25.109 1.00 0.00 H ATOM 904 H SER X 141 12.736 18.559 24.923 1.00 0.00 H ATOM 905 N MET X 142 9.081 19.289 26.213 1.00 3.04 N ATOM 906 CA MET X 142 7.865 18.532 25.909 1.00 3.49 C ATOM 907 C MET X 142 7.139 19.096 24.699 1.00 3.21 C ATOM 908 O MET X 142 6.847 20.298 24.635 1.00 3.68 O ATOM 909 CB MET X 142 6.895 18.516 27.096 1.00 3.66 C ATOM 910 CG MET X 142 7.387 17.718 28.285 1.00 4.08 C ATOM 911 SD MET X 142 7.712 15.974 27.944 1.00 4.19 S ATOM 912 CE MET X 142 6.043 15.313 27.795 1.00 4.99 C ATOM 913 H MET X 142 9.041 20.054 26.917 1.00 0.00 H ATOM 914 N ALA X 143 6.814 18.221 23.751 1.00 3.45 N ATOM 915 CA ALA X 143 5.910 18.580 22.667 1.00 3.46 C ATOM 916 C ALA X 143 4.511 18.753 23.242 1.00 3.52 C ATOM 917 O ALA X 143 4.208 18.230 24.313 1.00 3.96 O ATOM 918 CB ALA X 143 5.915 17.515 21.610 1.00 3.88 C ATOM 919 H ALA X 143 7.213 17.261 23.785 1.00 0.00 H ATOM 920 N ASN X 144 3.643 19.478 22.547 1.00 3.81 N ATOM 921 CA ASN X 144 2.280 19.605 23.019 1.00 4.09 C ATOM 922 C ASN X 144 1.336 20.043 21.911 1.00 4.37 C ATOM 923 O ASN X 144 1.750 20.351 20.796 1.00 5.48 O ATOM 924 CB ASN X 144 2.199 20.506 24.257 1.00 4.34 C ATOM 925 CG ASN X 144 2.458 21.957 23.956 1.00 4.83 C ATOM 926 OD1 ASN X 144 1.889 22.522 23.027 1.00 5.22 O ATOM 927 ND2 ASN X 144 3.297 22.587 24.770 1.00 4.80 N ATOM 928 HD22 ASN X 144 3.757 22.068 25.545 1.00 0.00 H ATOM 929 HD21 ASN X 144 3.494 23.599 24.632 1.00 0.00 H ATOM 930 H ASN X 144 3.940 19.951 21.670 1.00 0.00 H ATOM 931 N ALA X 145 0.052 19.991 22.239 1.00 5.23 N ATOM 932 CA ALA X 145 -1.023 20.408 21.362 1.00 6.40 C ATOM 933 C ALA X 145 -1.757 21.609 21.962 1.00 6.38 C ATOM 934 O ALA X 145 -2.978 21.748 21.803 1.00 7.86 O ATOM 935 CB ALA X 145 -1.983 19.251 21.150 1.00 8.01 C ATOM 936 H ALA X 145 -0.198 19.629 23.182 1.00 0.00 H ATOM 937 N GLY X 146 -1.016 22.492 22.622 1.00 5.32 N ATOM 938 CA GLY X 146 -1.590 23.628 23.320 1.00 5.57 C ATOM 939 C GLY X 146 -1.342 23.500 24.813 1.00 5.00 C ATOM 940 O GLY X 146 -0.703 22.553 25.280 1.00 4.48 O ATOM 941 H GLY X 146 0.016 22.364 22.639 1.00 0.00 H ATOM 942 N PRO X 147 -1.836 24.459 25.595 1.00 5.06 N ATOM 943 CA PRO X 147 -1.596 24.425 27.036 1.00 4.91 C ATOM 944 C PRO X 147 -2.048 23.115 27.668 1.00 4.23 C ATOM 945 O PRO X 147 -3.099 22.574 27.344 1.00 4.41 O ATOM 946 CB PRO X 147 -2.413 25.617 27.549 1.00 6.39 C ATOM 947 CG PRO X 147 -2.412 26.564 26.394 1.00 7.20 C ATOM 948 CD PRO X 147 -2.521 25.694 25.183 1.00 6.47 C ATOM 949 N ASN X 148 -1.245 22.628 28.600 1.00 3.87 N ATOM 950 CA ASN X 148 -1.608 21.491 29.434 1.00 4.29 C ATOM 951 C ASN X 148 -1.970 20.229 28.661 1.00 4.07 C ATOM 952 O ASN X 148 -2.955 19.554 28.981 1.00 4.33 O ATOM 953 CB ASN X 148 -2.721 21.895 30.397 1.00 3.87 C ATOM 954 CG ASN X 148 -2.363 23.115 31.193 1.00 4.31 C ATOM 955 OD1 ASN X 148 -1.367 23.121 31.914 1.00 4.75 O ATOM 956 ND2 ASN X 148 -3.153 24.170 31.044 1.00 4.94 N ATOM 957 HD22 ASN X 148 -3.984 24.113 30.422 1.00 0.00 H ATOM 958 HD21 ASN X 148 -2.941 25.054 31.550 1.00 0.00 H ATOM 959 H ASN X 148 -0.317 23.075 28.743 1.00 0.00 H ATOM 960 N THR X 149 -1.156 19.904 27.653 1.00 4.11 N ATOM 961 CA THR X 149 -1.375 18.708 26.848 1.00 4.01 C ATOM 962 C THR X 149 -0.091 17.883 26.713 1.00 3.95 C ATOM 963 O THR X 149 0.137 17.233 25.710 1.00 5.25 O ATOM 964 CB THR X 149 -1.957 19.026 25.461 1.00 4.72 C ATOM 965 OG1 THR X 149 -1.076 19.894 24.741 1.00 4.55 O ATOM 966 CG2 THR X 149 -3.334 19.656 25.580 1.00 5.17 C ATOM 967 HG1 THR X 149 -0.961 20.738 25.246 1.00 0.00 H ATOM 968 H THR X 149 -0.346 20.519 27.437 1.00 0.00 H ATOM 969 N ASN X 150 0.730 17.886 27.750 1.00 3.65 N ATOM 970 CA ASN X 150 1.916 17.030 27.778 1.00 3.51 C ATOM 971 C ASN X 150 1.486 15.580 27.860 1.00 3.81 C ATOM 972 O ASN X 150 0.581 15.240 28.623 1.00 4.69 O ATOM 973 CB ASN X 150 2.776 17.387 28.970 1.00 3.77 C ATOM 974 CG ASN X 150 3.166 18.830 28.951 1.00 3.77 C ATOM 975 OD1 ASN X 150 4.004 19.234 28.146 1.00 4.31 O ATOM 976 ND2 ASN X 150 2.510 19.635 29.795 1.00 4.24 N ATOM 977 HD22 ASN X 150 1.811 19.238 30.455 1.00 0.00 H ATOM 978 HD21 ASN X 150 2.699 20.658 29.791 1.00 0.00 H ATOM 979 H ASN X 150 0.529 18.507 28.559 1.00 0.00 H ATOM 980 N GLY X 151 2.141 14.721 27.088 1.00 3.65 N ATOM 981 CA GLY X 151 1.870 13.293 27.137 1.00 3.99 C ATOM 982 C GLY X 151 3.182 12.557 27.260 1.00 3.56 C ATOM 983 O GLY X 151 3.777 12.470 28.331 1.00 4.33 O ATOM 984 H GLY X 151 2.865 15.078 26.433 1.00 0.00 H ATOM 985 N SER X 152 3.655 12.075 26.117 1.00 3.56 N ATOM 986 CA SER X 152 4.981 11.482 26.008 1.00 3.82 C ATOM 987 C SER X 152 5.862 12.122 24.935 1.00 3.46 C ATOM 988 O SER X 152 7.081 11.973 24.982 1.00 3.82 O ATOM 989 CB SER X 152 4.884 9.972 25.728 1.00 4.55 C ATOM 990 OG SER X 152 4.097 9.731 24.583 1.00 5.28 O ATOM 991 HG SER X 152 4.509 10.178 23.801 1.00 0.00 H ATOM 992 H SER X 152 3.057 12.123 25.268 1.00 0.00 H ATOM 993 N GLN X 153 5.277 12.799 23.955 1.00 3.65 N ATOM 994 CA GLN X 153 6.088 13.363 22.891 1.00 3.83 C ATOM 995 C GLN X 153 7.008 14.444 23.435 1.00 3.36 C ATOM 996 O GLN X 153 6.638 15.239 24.308 1.00 3.71 O ATOM 997 CB GLN X 153 5.231 13.921 21.762 1.00 4.12 C ATOM 998 CG GLN X 153 4.553 12.856 20.926 1.00 4.13 C ATOM 999 CD GLN X 153 3.861 13.467 19.731 1.00 4.41 C ATOM 1000 OE1 GLN X 153 4.470 14.221 18.982 1.00 4.96 O ATOM 1001 NE2 GLN X 153 2.583 13.172 19.558 1.00 5.14 N ATOM 1002 HE22 GLN X 153 2.104 12.527 20.218 1.00 0.00 H ATOM 1003 HE21 GLN X 153 2.057 13.586 18.762 1.00 0.00 H ATOM 1004 H GLN X 153 4.245 12.925 23.949 1.00 0.00 H ATOM 1005 N PHE X 154 8.217 14.467 22.886 1.00 3.52 N ATOM 1006 CA PHE X 154 9.274 15.354 23.346 1.00 3.41 C ATOM 1007 C PHE X 154 10.136 15.760 22.167 1.00 3.23 C ATOM 1008 O PHE X 154 10.037 15.177 21.085 1.00 3.69 O ATOM 1009 CB PHE X 154 10.143 14.659 24.407 1.00 3.63 C ATOM 1010 CG PHE X 154 10.942 13.498 23.883 1.00 3.88 C ATOM 1011 CD1 PHE X 154 12.264 13.660 23.479 1.00 4.28 C ATOM 1012 CD2 PHE X 154 10.389 12.233 23.843 1.00 4.06 C ATOM 1013 CE1 PHE X 154 13.008 12.597 23.030 1.00 4.77 C ATOM 1014 CE2 PHE X 154 11.137 11.157 23.378 1.00 4.44 C ATOM 1015 CZ PHE X 154 12.453 11.342 22.977 1.00 4.80 C ATOM 1016 H PHE X 154 8.416 13.824 22.094 1.00 0.00 H ATOM 1017 N PHE X 155 10.992 16.753 22.374 1.00 3.38 N ATOM 1018 CA PHE X 155 11.945 17.122 21.352 1.00 3.59 C ATOM 1019 C PHE X 155 13.274 17.517 21.959 1.00 3.29 C ATOM 1020 O PHE X 155 13.365 17.925 23.125 1.00 3.59 O ATOM 1021 CB PHE X 155 11.396 18.203 20.410 1.00 3.93 C ATOM 1022 CG PHE X 155 11.011 19.506 21.077 1.00 3.98 C ATOM 1023 CD1 PHE X 155 9.821 19.628 21.773 1.00 3.97 C ATOM 1024 CD2 PHE X 155 11.821 20.637 20.946 1.00 4.29 C ATOM 1025 CE1 PHE X 155 9.464 20.847 22.362 1.00 4.31 C ATOM 1026 CE2 PHE X 155 11.458 21.852 21.520 1.00 4.75 C ATOM 1027 CZ PHE X 155 10.282 21.950 22.222 1.00 4.48 C ATOM 1028 H PHE X 155 10.977 17.269 23.277 1.00 0.00 H ATOM 1029 N ILE X 156 14.311 17.355 21.142 1.00 3.34 N ATOM 1030 CA ILE X 156 15.663 17.801 21.456 1.00 3.75 C ATOM 1031 C ILE X 156 16.022 18.890 20.461 1.00 3.79 C ATOM 1032 O ILE X 156 15.988 18.688 19.241 1.00 4.21 O ATOM 1033 CB ILE X 156 16.666 16.651 21.385 1.00 4.57 C ATOM 1034 CG1 ILE X 156 16.282 15.535 22.372 1.00 5.24 C ATOM 1035 CG2 ILE X 156 18.065 17.175 21.669 1.00 5.46 C ATOM 1036 CD1 ILE X 156 17.080 14.237 22.199 1.00 6.43 C ATOM 1037 H ILE X 156 14.148 16.884 20.229 1.00 0.00 H ATOM 1038 N CYS X 157 16.327 20.072 20.980 1.00 3.85 N ATOM 1039 CA CYS X 157 16.637 21.218 20.132 1.00 4.72 C ATOM 1040 C CYS X 157 18.021 21.109 19.521 1.00 4.68 C ATOM 1041 O CYS X 157 18.953 20.583 20.136 1.00 4.95 O ATOM 1042 CB CYS X 157 16.566 22.501 20.951 1.00 4.65 C ATOM 1043 SG CYS X 157 14.938 22.801 21.655 1.00 6.06 S ATOM 1044 H CYS X 157 16.346 20.184 22.014 1.00 0.00 H ATOM 1045 N THR X 158 18.164 21.655 18.319 1.00 4.82 N ATOM 1046 CA THR X 158 19.479 21.748 17.691 1.00 5.30 C ATOM 1047 C THR X 158 19.910 23.212 17.510 1.00 6.20 C ATOM 1048 O THR X 158 20.954 23.487 16.922 1.00 7.61 O ATOM 1049 CB THR X 158 19.523 21.010 16.365 1.00 5.90 C ATOM 1050 OG1 THR X 158 18.522 21.558 15.521 1.00 6.01 O ATOM 1051 CG2 THR X 158 19.282 19.507 16.577 1.00 6.30 C ATOM 1052 HG1 THR X 158 18.534 21.089 14.649 1.00 0.00 H ATOM 1053 H THR X 158 17.329 22.021 17.819 1.00 0.00 H ATOM 1054 N ILE X 159 19.114 24.120 18.060 1.00 6.37 N ATOM 1055 CA ILE X 159 19.380 25.549 18.056 1.00 7.50 C ATOM 1056 C ILE X 159 18.626 26.123 19.258 1.00 6.44 C ATOM 1057 O ILE X 159 17.787 25.444 19.839 1.00 6.20 O ATOM 1058 CB ILE X 159 18.872 26.239 16.769 1.00 12.32 C ATOM 1059 CG1 ILE X 159 17.350 26.137 16.677 1.00 15.10 C ATOM 1060 CG2 ILE X 159 19.519 25.629 15.527 1.00 14.82 C ATOM 1061 CD1 ILE X 159 16.722 27.198 15.805 1.00 17.03 C ATOM 1062 H ILE X 159 18.244 23.788 18.524 1.00 0.00 H ATOM 1063 N LYS X 160 18.921 27.361 19.635 1.00 6.58 N ATOM 1064 CA LYS X 160 18.094 28.104 20.581 1.00 6.91 C ATOM 1065 C LYS X 160 16.721 28.332 19.968 1.00 6.99 C ATOM 1066 O LYS X 160 16.621 28.894 18.884 1.00 8.97 O ATOM 1067 CB LYS X 160 18.749 29.453 20.869 1.00 7.31 C ATOM 1068 CG LYS X 160 17.961 30.379 21.776 1.00 7.97 C ATOM 1069 CD LYS X 160 18.712 31.698 21.980 1.00 10.67 C ATOM 1070 CE LYS X 160 17.877 32.752 22.672 1.00 11.48 C ATOM 1071 NZ LYS X 160 18.579 34.076 22.678 1.00 11.00 N ATOM 1072 HZ1 LYS X 160 19.485 33.984 23.181 1.00 0.00 H ATOM 1073 HZ2 LYS X 160 18.754 34.379 21.699 1.00 0.00 H ATOM 1074 HZ3 LYS X 160 17.984 34.780 23.159 1.00 0.00 H ATOM 1075 H LYS X 160 19.770 27.817 19.243 1.00 0.00 H ATOM 1076 N THR X 161 15.677 27.894 20.661 1.00 6.87 N ATOM 1077 CA THR X 161 14.315 28.042 20.178 1.00 7.29 C ATOM 1078 C THR X 161 13.514 28.929 21.134 1.00 7.18 C ATOM 1079 O THR X 161 12.565 28.479 21.784 1.00 6.17 O ATOM 1080 CB THR X 161 13.622 26.666 19.968 1.00 7.51 C ATOM 1081 OG1 THR X 161 13.528 25.946 21.201 1.00 6.92 O ATOM 1082 CG2 THR X 161 14.410 25.804 18.975 1.00 8.09 C ATOM 1083 HG1 THR X 161 12.998 26.473 21.850 1.00 0.00 H ATOM 1084 H THR X 161 15.839 27.431 21.578 1.00 0.00 H ATOM 1085 N ASP X 162 13.894 30.202 21.213 1.00 8.06 N ATOM 1086 CA ASP X 162 13.331 31.079 22.238 1.00 8.19 C ATOM 1087 C ASP X 162 11.839 31.315 22.096 1.00 7.17 C ATOM 1088 O ASP X 162 11.178 31.612 23.084 1.00 7.79 O ATOM 1089 CB ASP X 162 14.103 32.408 22.356 1.00 10.93 C ATOM 1090 CG ASP X 162 13.943 33.345 21.144 1.00 12.42 C ATOM 1091 OD1 ASP X 162 14.385 34.508 21.276 1.00 12.80 O ATOM 1092 OD2 ASP X 162 13.394 32.966 20.086 1.00 14.48 O ATOM 1093 H ASP X 162 14.595 30.575 20.542 1.00 0.00 H ATOM 1094 N TRP X 163 11.314 31.170 20.882 1.00 7.01 N ATOM 1095 CA TRP X 163 9.903 31.410 20.636 1.00 7.44 C ATOM 1096 C TRP X 163 9.021 30.356 21.290 1.00 6.70 C ATOM 1097 O TRP X 163 7.805 30.530 21.362 1.00 8.02 O ATOM 1098 CB TRP X 163 9.621 31.516 19.129 1.00 7.67 C ATOM 1099 CG TRP X 163 9.853 30.269 18.317 1.00 7.84 C ATOM 1100 CD1 TRP X 163 8.912 29.352 17.947 1.00 8.33 C ATOM 1101 CD2 TRP X 163 11.093 29.820 17.747 1.00 7.76 C ATOM 1102 NE1 TRP X 163 9.489 28.356 17.204 1.00 8.86 N ATOM 1103 CE2 TRP X 163 10.823 28.619 17.060 1.00 8.62 C ATOM 1104 CE3 TRP X 163 12.399 30.313 17.747 1.00 8.81 C ATOM 1105 CZ2 TRP X 163 11.807 27.908 16.372 1.00 9.33 C ATOM 1106 CZ3 TRP X 163 13.379 29.596 17.061 1.00 9.91 C ATOM 1107 CH2 TRP X 163 13.074 28.408 16.390 1.00 9.76 C ATOM 1108 HE1 TRP X 163 8.991 27.531 16.812 1.00 0.00 H ATOM 1109 H TRP X 163 11.926 30.879 20.093 1.00 0.00 H ATOM 1110 N LEU X 164 9.623 29.270 21.765 1.00 5.35 N ATOM 1111 CA LEU X 164 8.892 28.228 22.466 1.00 4.80 C ATOM 1112 C LEU X 164 8.879 28.444 23.981 1.00 4.15 C ATOM 1113 O LEU X 164 8.167 27.746 24.698 1.00 4.39 O ATOM 1114 CB LEU X 164 9.476 26.859 22.118 1.00 5.12 C ATOM 1115 CG LEU X 164 9.469 26.533 20.622 1.00 4.45 C ATOM 1116 CD1 LEU X 164 10.028 25.132 20.420 1.00 4.86 C ATOM 1117 CD2 LEU X 164 8.075 26.658 20.006 1.00 5.08 C ATOM 1118 H LEU X 164 10.649 29.163 21.631 1.00 0.00 H ATOM 1119 N ASP X 165 9.645 29.414 24.474 1.00 4.18 N ATOM 1120 CA ASP X 165 9.631 29.732 25.896 1.00 4.88 C ATOM 1121 C ASP X 165 8.231 30.146 26.304 1.00 4.75 C ATOM 1122 O ASP X 165 7.581 30.964 25.648 1.00 5.65 O ATOM 1123 CB ASP X 165 10.614 30.858 26.219 1.00 4.86 C ATOM 1124 CG ASP X 165 12.069 30.441 26.107 1.00 5.65 C ATOM 1125 OD1 ASP X 165 12.355 29.232 25.998 1.00 6.06 O ATOM 1126 OD2 ASP X 165 12.933 31.346 26.141 1.00 7.06 O ATOM 1127 H ASP X 165 10.263 29.953 23.835 1.00 0.00 H ATOM 1128 N GLY X 166 7.768 29.594 27.416 1.00 4.40 N ATOM 1129 CA GLY X 166 6.437 29.893 27.901 1.00 5.02 C ATOM 1130 C GLY X 166 5.331 29.103 27.237 1.00 5.33 C ATOM 1131 O GLY X 166 4.166 29.266 27.608 1.00 6.19 O ATOM 1132 H GLY X 166 8.371 28.935 27.949 1.00 0.00 H ATOM 1133 N LYS X 167 5.694 28.261 26.267 1.00 4.74 N ATOM 1134 CA LYS X 167 4.739 27.425 25.549 1.00 5.25 C ATOM 1135 C LYS X 167 5.024 25.939 25.723 1.00 4.55 C ATOM 1136 O LYS X 167 4.095 25.154 25.828 1.00 5.24 O ATOM 1137 CB LYS X 167 4.716 27.781 24.063 1.00 6.60 C ATOM 1138 CG LYS X 167 4.147 29.165 23.830 1.00 9.38 C ATOM 1139 CD LYS X 167 4.096 29.567 22.365 1.00 12.35 C ATOM 1140 CE LYS X 167 3.335 30.887 22.190 1.00 18.04 C ATOM 1141 NZ LYS X 167 3.080 31.212 20.763 1.00 22.57 N ATOM 1142 HZ1 LYS X 167 3.987 31.295 20.260 1.00 0.00 H ATOM 1143 HZ2 LYS X 167 2.512 30.455 20.332 1.00 0.00 H ATOM 1144 HZ3 LYS X 167 2.564 32.113 20.701 1.00 0.00 H ATOM 1145 H LYS X 167 6.700 28.199 26.013 1.00 0.00 H ATOM 1146 N HIS X 168 6.299 25.570 25.742 1.00 3.99 N ATOM 1147 CA HIS X 168 6.727 24.183 25.947 1.00 4.00 C ATOM 1148 C HIS X 168 7.533 24.076 27.218 1.00 3.69 C ATOM 1149 O HIS X 168 8.375 24.937 27.497 1.00 4.19 O ATOM 1150 CB HIS X 168 7.537 23.676 24.748 1.00 3.80 C ATOM 1151 CG HIS X 168 6.728 23.645 23.494 1.00 4.09 C ATOM 1152 ND1 HIS X 168 6.137 22.495 23.020 1.00 3.98 N ATOM 1153 CD2 HIS X 168 6.341 24.638 22.657 1.00 4.39 C ATOM 1154 CE1 HIS X 168 5.437 22.785 21.932 1.00 4.45 C ATOM 1155 NE2 HIS X 168 5.545 24.080 21.689 1.00 5.04 N ATOM 1156 H HIS X 168 7.028 26.299 25.605 1.00 0.00 H ATOM 1157 N VAL X 169 7.286 23.019 27.984 1.00 3.28 N ATOM 1158 CA VAL X 169 7.989 22.798 29.241 1.00 3.28 C ATOM 1159 C VAL X 169 9.338 22.141 28.989 1.00 3.16 C ATOM 1160 O VAL X 169 9.425 20.986 28.576 1.00 3.30 O ATOM 1161 CB VAL X 169 7.139 21.933 30.198 1.00 3.70 C ATOM 1162 CG1 VAL X 169 7.901 21.657 31.472 1.00 3.70 C ATOM 1163 CG2 VAL X 169 5.830 22.612 30.510 1.00 4.42 C ATOM 1164 H VAL X 169 6.570 22.329 27.678 1.00 0.00 H ATOM 1165 N VAL X 170 10.391 22.898 29.270 1.00 3.13 N ATOM 1166 CA VAL X 170 11.758 22.409 29.216 1.00 3.31 C ATOM 1167 C VAL X 170 12.041 21.611 30.484 1.00 3.06 C ATOM 1168 O VAL X 170 11.697 22.037 31.589 1.00 3.67 O ATOM 1169 CB VAL X 170 12.748 23.576 29.107 1.00 3.83 C ATOM 1170 CG1 VAL X 170 14.186 23.096 29.201 1.00 4.12 C ATOM 1171 CG2 VAL X 170 12.514 24.343 27.815 1.00 4.64 C ATOM 1172 H VAL X 170 10.230 23.889 29.542 1.00 0.00 H ATOM 1173 N PHE X 171 12.677 20.451 30.332 1.00 3.18 N ATOM 1174 CA PHE X 171 12.877 19.585 31.480 1.00 3.19 C ATOM 1175 C PHE X 171 14.220 18.865 31.512 1.00 3.39 C ATOM 1176 O PHE X 171 14.428 18.037 32.393 1.00 3.85 O ATOM 1177 CB PHE X 171 11.723 18.584 31.660 1.00 3.70 C ATOM 1178 CG PHE X 171 11.602 17.570 30.548 1.00 3.35 C ATOM 1179 CD1 PHE X 171 10.991 17.897 29.350 1.00 3.44 C ATOM 1180 CD2 PHE X 171 12.088 16.290 30.718 1.00 3.59 C ATOM 1181 CE1 PHE X 171 10.885 16.949 28.336 1.00 3.75 C ATOM 1182 CE2 PHE X 171 11.978 15.356 29.717 1.00 3.94 C ATOM 1183 CZ PHE X 171 11.382 15.683 28.531 1.00 3.39 C ATOM 1184 H PHE X 171 13.029 20.167 29.395 1.00 0.00 H ATOM 1185 N GLY X 172 15.146 19.199 30.622 1.00 3.77 N ATOM 1186 CA GLY X 172 16.462 18.593 30.698 1.00 4.43 C ATOM 1187 C GLY X 172 17.334 19.017 29.546 1.00 3.59 C ATOM 1188 O GLY X 172 17.027 19.978 28.833 1.00 3.61 O ATOM 1189 H GLY X 172 14.930 19.890 29.875 1.00 0.00 H ATOM 1190 N HIS X 173 18.443 18.310 29.378 1.00 3.45 N ATOM 1191 CA HIS X 173 19.377 18.615 28.308 1.00 3.72 C ATOM 1192 C HIS X 173 20.289 17.429 28.036 1.00 3.59 C ATOM 1193 O HIS X 173 20.416 16.509 28.850 1.00 3.95 O ATOM 1194 CB HIS X 173 20.188 19.891 28.598 1.00 3.74 C ATOM 1195 CG HIS X 173 21.232 19.721 29.647 1.00 4.32 C ATOM 1196 ND1 HIS X 173 20.961 19.866 30.990 1.00 5.52 N ATOM 1197 CD2 HIS X 173 22.551 19.429 29.545 1.00 4.64 C ATOM 1198 CE1 HIS X 173 22.074 19.658 31.673 1.00 5.80 C ATOM 1199 NE2 HIS X 173 23.052 19.388 30.822 1.00 5.17 N ATOM 1200 H HIS X 173 18.648 17.522 30.025 1.00 0.00 H ATOM 1201 N VAL X 174 20.932 17.479 26.876 1.00 3.53 N ATOM 1202 CA VAL X 174 21.870 16.459 26.444 1.00 3.66 C ATOM 1203 C VAL X 174 23.203 16.585 27.179 1.00 3.99 C ATOM 1204 O VAL X 174 23.898 17.600 27.097 1.00 4.76 O ATOM 1205 CB VAL X 174 22.110 16.550 24.924 1.00 3.68 C ATOM 1206 CG1 VAL X 174 23.183 15.579 24.473 1.00 4.70 C ATOM 1207 CG2 VAL X 174 20.818 16.308 24.149 1.00 4.39 C ATOM 1208 H VAL X 174 20.755 18.288 26.246 1.00 0.00 H ATOM 1209 N ILE X 175 23.538 15.522 27.901 1.00 3.97 N ATOM 1210 CA ILE X 175 24.811 15.360 28.614 1.00 3.88 C ATOM 1211 C ILE X 175 25.909 14.806 27.710 1.00 4.21 C ATOM 1212 O ILE X 175 27.071 15.187 27.836 1.00 5.13 O ATOM 1213 CB ILE X 175 24.588 14.386 29.801 1.00 4.43 C ATOM 1214 CG1 ILE X 175 23.698 15.036 30.875 1.00 4.95 C ATOM 1215 CG2 ILE X 175 25.894 13.889 30.403 1.00 4.74 C ATOM 1216 CD1 ILE X 175 24.364 16.107 31.703 1.00 4.96 C ATOM 1217 H ILE X 175 22.848 14.747 27.966 1.00 0.00 H ATOM 1218 N GLU X 176 25.532 13.868 26.851 1.00 4.47 N ATOM 1219 CA GLU X 176 26.433 13.178 25.955 1.00 4.37 C ATOM 1220 C GLU X 176 25.648 12.795 24.714 1.00 4.18 C ATOM 1221 O GLU X 176 24.465 12.451 24.812 1.00 4.30 O ATOM 1222 CB GLU X 176 26.957 11.911 26.642 1.00 4.93 C ATOM 1223 CG GLU X 176 28.018 11.173 25.899 1.00 5.22 C ATOM 1224 CD GLU X 176 28.252 9.792 26.484 1.00 4.71 C ATOM 1225 OE1 GLU X 176 28.624 9.706 27.671 1.00 4.70 O ATOM 1226 OE2 GLU X 176 28.081 8.798 25.741 1.00 5.66 O ATOM 1227 H GLU X 176 24.524 13.613 26.820 1.00 0.00 H ATOM 1228 N GLY X 177 26.301 12.829 23.554 1.00 4.79 N ATOM 1229 CA GLY X 177 25.670 12.338 22.349 1.00 4.88 C ATOM 1230 C GLY X 177 25.100 13.398 21.432 1.00 4.76 C ATOM 1231 O GLY X 177 24.259 13.078 20.579 1.00 4.73 O ATOM 1232 H GLY X 177 27.268 13.210 23.514 1.00 0.00 H ATOM 1233 N MET X 178 25.544 14.645 21.534 1.00 5.42 N ATOM 1234 CA MET X 178 25.094 15.603 20.532 1.00 5.69 C ATOM 1235 C MET X 178 25.492 15.166 19.120 1.00 5.43 C ATOM 1236 O MET X 178 24.795 15.499 18.170 1.00 6.04 O ATOM 1237 CB MET X 178 25.607 17.021 20.806 1.00 7.15 C ATOM 1238 CG MET X 178 24.770 17.819 21.804 1.00 8.15 C ATOM 1239 SD MET X 178 23.011 17.941 21.389 1.00 9.42 S ATOM 1240 CE MET X 178 23.078 18.859 19.854 1.00 11.63 C ATOM 1241 H MET X 178 26.188 14.928 22.300 1.00 0.00 H ATOM 1242 N ASP X 179 26.574 14.405 18.955 1.00 5.42 N ATOM 1243 CA ASP X 179 26.906 13.889 17.636 1.00 5.32 C ATOM 1244 C ASP X 179 25.774 13.023 17.084 1.00 5.07 C ATOM 1245 O ASP X 179 25.479 13.057 15.895 1.00 5.69 O ATOM 1246 CB ASP X 179 28.229 13.108 17.653 1.00 5.79 C ATOM 1247 CG ASP X 179 28.188 11.850 18.522 1.00 5.13 C ATOM 1248 OD1 ASP X 179 27.793 11.944 19.701 1.00 4.99 O ATOM 1249 OD2 ASP X 179 28.581 10.775 18.016 1.00 5.99 O ATOM 1250 H ASP X 179 27.181 14.180 19.769 1.00 0.00 H ATOM 1251 N VAL X 180 25.150 12.235 17.949 1.00 4.62 N ATOM 1252 CA VAL X 180 24.030 11.404 17.558 1.00 4.88 C ATOM 1253 C VAL X 180 22.847 12.282 17.170 1.00 5.24 C ATOM 1254 O VAL X 180 22.199 12.041 16.161 1.00 6.02 O ATOM 1255 CB VAL X 180 23.664 10.432 18.694 1.00 4.41 C ATOM 1256 CG1 VAL X 180 22.451 9.593 18.325 1.00 5.33 C ATOM 1257 CG2 VAL X 180 24.866 9.558 19.055 1.00 5.47 C ATOM 1258 H VAL X 180 25.474 12.213 18.937 1.00 0.00 H ATOM 1259 N VAL X 181 22.565 13.304 17.974 1.00 5.05 N ATOM 1260 CA VAL X 181 21.504 14.247 17.659 1.00 5.56 C ATOM 1261 C VAL X 181 21.743 14.925 16.304 1.00 5.96 C ATOM 1262 O VAL X 181 20.815 15.086 15.521 1.00 6.24 O ATOM 1263 CB VAL X 181 21.343 15.288 18.785 1.00 5.93 C ATOM 1264 CG1 VAL X 181 20.300 16.322 18.426 1.00 7.03 C ATOM 1265 CG2 VAL X 181 20.963 14.600 20.090 1.00 5.88 C ATOM 1266 H VAL X 181 23.116 13.431 18.847 1.00 0.00 H ATOM 1267 N LYS X 182 22.986 15.299 16.000 1.00 5.63 N ATOM 1268 CA LYS X 182 23.284 15.934 14.719 1.00 5.89 C ATOM 1269 C LYS X 182 23.071 14.942 13.568 1.00 5.93 C ATOM 1270 O LYS X 182 22.617 15.324 12.482 1.00 6.56 O ATOM 1271 CB LYS X 182 24.711 16.504 14.673 1.00 5.80 C ATOM 1272 CG LYS X 182 25.016 17.608 15.679 1.00 6.32 C ATOM 1273 CD LYS X 182 24.166 18.851 15.482 1.00 6.35 C ATOM 1274 CE LYS X 182 24.648 19.708 14.324 1.00 6.41 C ATOM 1275 NZ LYS X 182 23.728 20.857 14.170 1.00 6.74 N ATOM 1276 HZ1 LYS X 182 22.768 20.507 13.976 1.00 0.00 H ATOM 1277 HZ2 LYS X 182 23.724 21.416 15.047 1.00 0.00 H ATOM 1278 HZ3 LYS X 182 24.048 21.452 13.379 1.00 0.00 H ATOM 1279 H LYS X 182 23.753 15.137 16.683 1.00 0.00 H ATOM 1280 N LYS X 183 23.381 13.666 13.786 1.00 6.20 N ATOM 1281 CA LYS X 183 23.075 12.659 12.770 1.00 6.33 C ATOM 1282 C LYS X 183 21.564 12.574 12.547 1.00 6.40 C ATOM 1283 O LYS X 183 21.103 12.596 11.403 1.00 7.41 O ATOM 1284 CB LYS X 183 23.648 11.288 13.141 1.00 6.52 C ATOM 1285 CG LYS X 183 25.164 11.190 13.048 1.00 8.24 C ATOM 1286 CD LYS X 183 25.708 11.367 11.619 1.00 10.45 C ATOM 1287 CE LYS X 183 25.247 10.275 10.678 1.00 12.30 C ATOM 1288 NZ LYS X 183 25.895 10.367 9.324 1.00 12.72 N ATOM 1289 HZ1 LYS X 183 25.661 11.283 8.890 1.00 0.00 H ATOM 1290 HZ2 LYS X 183 26.926 10.285 9.428 1.00 0.00 H ATOM 1291 HZ3 LYS X 183 25.544 9.596 8.720 1.00 0.00 H ATOM 1292 H LYS X 183 23.840 13.386 14.676 1.00 0.00 H ATOM 1293 N ILE X 184 20.795 12.455 13.625 1.00 6.06 N ATOM 1294 CA ILE X 184 19.335 12.415 13.501 1.00 6.35 C ATOM 1295 C ILE X 184 18.831 13.626 12.707 1.00 6.50 C ATOM 1296 O ILE X 184 18.043 13.499 11.763 1.00 7.32 O ATOM 1297 CB ILE X 184 18.668 12.373 14.886 1.00 6.14 C ATOM 1298 CG1 ILE X 184 19.027 11.077 15.602 1.00 6.96 C ATOM 1299 CG2 ILE X 184 17.149 12.497 14.774 1.00 5.94 C ATOM 1300 CD1 ILE X 184 18.629 11.065 17.069 1.00 7.44 C ATOM 1301 H ILE X 184 21.234 12.390 14.566 1.00 0.00 H ATOM 1302 N GLU X 185 19.300 14.803 13.105 1.00 6.44 N ATOM 1303 CA GLU X 185 18.921 16.066 12.476 1.00 6.66 C ATOM 1304 C GLU X 185 19.154 16.032 10.966 1.00 7.37 C ATOM 1305 O GLU X 185 18.342 16.526 10.173 1.00 8.10 O ATOM 1306 CB GLU X 185 19.723 17.209 13.103 1.00 6.43 C ATOM 1307 CG GLU X 185 19.346 18.591 12.591 1.00 6.52 C ATOM 1308 CD GLU X 185 20.284 19.694 13.064 1.00 6.67 C ATOM 1309 OE1 GLU X 185 21.483 19.409 13.307 1.00 7.50 O ATOM 1310 OE2 GLU X 185 19.830 20.850 13.171 1.00 6.89 O ATOM 1311 H GLU X 185 19.968 14.827 13.902 1.00 0.00 H ATOM 1312 N SER X 186 20.274 15.442 10.565 1.00 7.36 N ATOM 1313 CA SER X 186 20.670 15.406 9.164 1.00 8.67 C ATOM 1314 C SER X 186 19.753 14.525 8.315 1.00 9.04 C ATOM 1315 O SER X 186 19.800 14.592 7.089 1.00 10.22 O ATOM 1316 CB SER X 186 22.123 14.946 9.031 1.00 9.13 C ATOM 1317 OG SER X 186 22.266 13.536 9.127 1.00 9.07 O ATOM 1318 HG SER X 186 21.931 13.231 10.007 1.00 0.00 H ATOM 1319 H SER X 186 20.888 14.992 11.274 1.00 0.00 H ATOM 1320 N PHE X 187 18.942 13.691 8.977 1.00 7.93 N ATOM 1321 CA PHE X 187 17.955 12.834 8.304 1.00 8.46 C ATOM 1322 C PHE X 187 16.550 13.438 8.322 1.00 8.56 C ATOM 1323 O PHE X 187 15.561 12.753 8.042 1.00 8.86 O ATOM 1324 CB PHE X 187 17.880 11.449 8.951 1.00 10.05 C ATOM 1325 CG PHE X 187 19.206 10.781 9.123 1.00 11.64 C ATOM 1326 CD1 PHE X 187 20.218 10.954 8.202 1.00 11.80 C ATOM 1327 CD2 PHE X 187 19.440 9.981 10.228 1.00 12.35 C ATOM 1328 CE1 PHE X 187 21.441 10.338 8.376 1.00 11.67 C ATOM 1329 CE2 PHE X 187 20.652 9.366 10.410 1.00 12.22 C ATOM 1330 CZ PHE X 187 21.657 9.544 9.486 1.00 11.78 C ATOM 1331 H PHE X 187 19.013 13.647 10.014 1.00 0.00 H ATOM 1332 N GLY X 188 16.452 14.712 8.669 1.00 8.57 N ATOM 1333 CA GLY X 188 15.180 15.409 8.600 1.00 8.32 C ATOM 1334 C GLY X 188 15.028 16.204 7.317 1.00 8.59 C ATOM 1335 O GLY X 188 15.783 16.032 6.360 1.00 9.94 O ATOM 1336 H GLY X 188 17.298 15.221 8.996 1.00 0.00 H ATOM 1337 N SER X 189 14.037 17.082 7.305 1.00 7.89 N ATOM 1338 CA SER X 189 13.752 17.919 6.152 1.00 8.18 C ATOM 1339 C SER X 189 12.955 19.124 6.621 1.00 8.27 C ATOM 1340 O SER X 189 12.485 19.164 7.748 1.00 7.87 O ATOM 1341 CB SER X 189 12.953 17.150 5.109 1.00 8.94 C ATOM 1342 OG SER X 189 11.649 16.842 5.584 1.00 9.04 O ATOM 1343 HG SER X 189 11.719 16.287 6.401 1.00 0.00 H ATOM 1344 H SER X 189 13.441 17.176 8.152 1.00 0.00 H ATOM 1345 N LYS X 190 12.783 20.098 5.740 1.00 9.83 N ATOM 1346 CA LYS X 190 12.048 21.312 6.076 1.00 10.94 C ATOM 1347 C LYS X 190 10.630 21.002 6.564 1.00 9.86 C ATOM 1348 O LYS X 190 10.120 21.649 7.476 1.00 10.15 O ATOM 1349 CB LYS X 190 11.994 22.216 4.844 1.00 14.45 C ATOM 1350 CG LYS X 190 11.176 23.481 5.015 1.00 19.29 C ATOM 1351 CD LYS X 190 11.811 24.402 6.029 1.00 22.06 C ATOM 1352 CE LYS X 190 11.126 25.767 6.080 1.00 23.56 C ATOM 1353 NZ LYS X 190 9.672 25.697 6.382 1.00 25.22 N ATOM 1354 HZ1 LYS X 190 9.193 25.138 5.648 1.00 0.00 H ATOM 1355 HZ2 LYS X 190 9.533 25.246 7.309 1.00 0.00 H ATOM 1356 HZ3 LYS X 190 9.276 26.659 6.400 1.00 0.00 H ATOM 1357 H LYS X 190 13.182 19.994 4.785 1.00 0.00 H ATOM 1358 N SER X 191 9.984 20.014 5.949 1.00 9.16 N ATOM 1359 CA SER X 191 8.614 19.662 6.327 1.00 9.14 C ATOM 1360 C SER X 191 8.560 18.858 7.615 1.00 8.32 C ATOM 1361 O SER X 191 7.492 18.715 8.208 1.00 9.38 O ATOM 1362 CB SER X 191 7.952 18.847 5.226 1.00 9.78 C ATOM 1363 OG SER X 191 8.459 17.530 5.226 1.00 10.22 O ATOM 1364 HG SER X 191 8.022 17.009 4.506 1.00 0.00 H ATOM 1365 H SER X 191 10.459 19.485 5.190 1.00 0.00 H ATOM 1366 N GLY X 192 9.705 18.313 8.023 1.00 7.32 N ATOM 1367 CA GLY X 192 9.786 17.442 9.180 1.00 6.34 C ATOM 1368 C GLY X 192 9.816 15.963 8.829 1.00 6.56 C ATOM 1369 O GLY X 192 10.145 15.127 9.673 1.00 6.60 O ATOM 1370 H GLY X 192 10.575 18.520 7.491 1.00 0.00 H ATOM 1371 N ARG X 193 9.465 15.625 7.593 1.00 7.55 N ATOM 1372 CA ARG X 193 9.498 14.237 7.164 1.00 8.08 C ATOM 1373 C ARG X 193 10.925 13.710 7.229 1.00 8.21 C ATOM 1374 O ARG X 193 11.848 14.339 6.723 1.00 8.95 O ATOM 1375 CB ARG X 193 8.949 14.110 5.740 1.00 9.27 C ATOM 1376 CG ARG X 193 9.104 12.729 5.128 1.00 10.91 C ATOM 1377 CD ARG X 193 8.250 11.699 5.835 1.00 13.42 C ATOM 1378 NE ARG X 193 8.836 10.364 5.727 1.00 17.21 N ATOM 1379 CZ ARG X 193 8.308 9.350 5.049 1.00 21.37 C ATOM 1380 NH1 ARG X 193 7.158 9.485 4.406 1.00 23.25 N ATOM 1381 NH2 ARG X 193 8.939 8.185 5.023 1.00 24.25 N ATOM 1382 HE ARG X 193 9.736 10.194 6.219 1.00 0.00 H ATOM 1383 HH12 ARG X 193 6.759 8.681 3.880 1.00 0.00 H ATOM 1384 HH11 ARG X 193 6.654 10.395 4.427 1.00 0.00 H ATOM 1385 HH22 ARG X 193 8.534 7.386 4.495 1.00 0.00 H ATOM 1386 HH21 ARG X 193 9.840 8.070 5.530 1.00 0.00 H ATOM 1387 H ARG X 193 9.163 16.362 6.925 1.00 0.00 H ATOM 1388 N THR X 194 11.101 12.540 7.828 1.00 8.84 N ATOM 1389 CA THR X 194 12.423 11.920 7.913 1.00 9.42 C ATOM 1390 C THR X 194 12.734 11.100 6.663 1.00 10.44 C ATOM 1391 O THR X 194 11.836 10.522 6.049 1.00 10.97 O ATOM 1392 CB THR X 194 12.558 11.042 9.175 1.00 9.75 C ATOM 1393 OG1 THR X 194 11.546 10.030 9.178 1.00 9.83 O ATOM 1394 CG2 THR X 194 12.423 11.897 10.426 1.00 10.21 C ATOM 1395 HG1 THR X 194 10.653 10.458 9.172 1.00 0.00 H ATOM 1396 H THR X 194 10.282 12.053 8.246 1.00 0.00 H ATOM 1397 N SER X 195 14.011 11.071 6.292 1.00 10.21 N ATOM 1398 CA SER X 195 14.465 10.362 5.098 1.00 11.82 C ATOM 1399 C SER X 195 15.043 8.995 5.442 1.00 12.24 C ATOM 1400 O SER X 195 15.377 8.217 4.543 1.00 13.56 O ATOM 1401 CB SER X 195 15.507 11.194 4.348 1.00 11.96 C ATOM 1402 OG SER X 195 16.683 11.392 5.117 1.00 11.70 O ATOM 1403 HG SER X 195 17.329 11.933 4.597 1.00 0.00 H ATOM 1404 H SER X 195 14.713 11.572 6.874 1.00 0.00 H ATOM 1405 N LYS X 196 15.192 8.725 6.738 1.00 12.16 N ATOM 1406 CA LYS X 196 15.529 7.404 7.247 1.00 11.98 C ATOM 1407 C LYS X 196 14.573 7.105 8.399 1.00 11.53 C ATOM 1408 O LYS X 196 14.011 8.025 9.003 1.00 12.09 O ATOM 1409 CB LYS X 196 16.966 7.364 7.768 1.00 13.25 C ATOM 1410 CG LYS X 196 18.026 7.645 6.713 1.00 18.46 C ATOM 1411 CD LYS X 196 19.419 7.302 7.226 1.00 27.45 C ATOM 1412 CE LYS X 196 20.505 7.810 6.290 1.00 32.24 C ATOM 1413 NZ LYS X 196 20.497 7.113 4.975 1.00 35.87 N ATOM 1414 HZ1 LYS X 196 20.651 6.095 5.123 1.00 0.00 H ATOM 1415 HZ2 LYS X 196 19.578 7.262 4.511 1.00 0.00 H ATOM 1416 HZ3 LYS X 196 21.256 7.497 4.376 1.00 0.00 H ATOM 1417 H LYS X 196 15.061 9.498 7.421 1.00 0.00 H ATOM 1418 N LYS X 197 14.369 5.830 8.703 1.00 10.73 N ATOM 1419 CA LYS X 197 13.529 5.483 9.834 1.00 11.15 C ATOM 1420 C LYS X 197 14.376 5.546 11.090 1.00 9.57 C ATOM 1421 O LYS X 197 15.325 4.774 11.256 1.00 10.26 O ATOM 1422 CB LYS X 197 12.879 4.107 9.691 1.00 15.94 C ATOM 1423 CG LYS X 197 11.999 3.791 10.895 1.00 21.59 C ATOM 1424 CD LYS X 197 10.739 3.038 10.538 1.00 27.64 C ATOM 1425 CE LYS X 197 10.596 1.779 11.377 1.00 31.86 C ATOM 1426 NZ LYS X 197 9.718 1.971 12.566 1.00 35.20 N ATOM 1427 HZ1 LYS X 197 10.118 2.714 13.174 1.00 0.00 H ATOM 1428 HZ2 LYS X 197 8.767 2.253 12.252 1.00 0.00 H ATOM 1429 HZ3 LYS X 197 9.658 1.080 13.099 1.00 0.00 H ATOM 1430 H LYS X 197 14.810 5.081 8.132 1.00 0.00 H ATOM 1431 N ILE X 198 14.018 6.466 11.977 1.00 8.52 N ATOM 1432 CA ILE X 198 14.817 6.757 13.150 1.00 7.62 C ATOM 1433 C ILE X 198 14.098 6.192 14.367 1.00 7.00 C ATOM 1434 O ILE X 198 13.007 6.643 14.710 1.00 7.62 O ATOM 1435 CB ILE X 198 15.039 8.267 13.297 1.00 6.70 C ATOM 1436 CG1 ILE X 198 15.601 8.846 11.995 1.00 7.84 C ATOM 1437 CG2 ILE X 198 15.965 8.548 14.467 1.00 6.00 C ATOM 1438 CD1 ILE X 198 15.500 10.321 11.912 1.00 9.32 C ATOM 1439 H ILE X 198 13.136 6.995 11.825 1.00 0.00 H ATOM 1440 N VAL X 199 14.716 5.202 15.009 1.00 7.14 N ATOM 1441 CA VAL X 199 14.064 4.413 16.045 1.00 7.30 C ATOM 1442 C VAL X 199 14.865 4.419 17.334 1.00 6.83 C ATOM 1443 O VAL X 199 16.088 4.235 17.323 1.00 7.20 O ATOM 1444 CB VAL X 199 13.892 2.942 15.582 1.00 7.35 C ATOM 1445 CG1 VAL X 199 13.343 2.069 16.709 1.00 6.81 C ATOM 1446 CG2 VAL X 199 12.984 2.883 14.371 1.00 7.84 C ATOM 1447 H VAL X 199 15.702 4.984 14.761 1.00 0.00 H ATOM 1448 N ILE X 200 14.170 4.634 18.447 1.00 6.52 N ATOM 1449 CA ILE X 200 14.754 4.459 19.771 1.00 6.48 C ATOM 1450 C ILE X 200 14.709 2.964 20.058 1.00 6.28 C ATOM 1451 O ILE X 200 13.667 2.414 20.401 1.00 7.27 O ATOM 1452 CB ILE X 200 13.965 5.246 20.833 1.00 6.41 C ATOM 1453 CG1 ILE X 200 14.025 6.749 20.528 1.00 7.09 C ATOM 1454 CG2 ILE X 200 14.477 4.929 22.239 1.00 6.89 C ATOM 1455 CD1 ILE X 200 13.048 7.589 21.332 1.00 7.80 C ATOM 1456 H ILE X 200 13.178 4.937 18.370 1.00 0.00 H ATOM 1457 N THR X 201 15.825 2.283 19.844 1.00 6.17 N ATOM 1458 CA THR X 201 15.845 0.830 19.985 1.00 7.35 C ATOM 1459 C THR X 201 15.848 0.388 21.440 1.00 6.99 C ATOM 1460 O THR X 201 15.318 -0.674 21.778 1.00 8.00 O ATOM 1461 CB THR X 201 17.052 0.174 19.296 1.00 7.82 C ATOM 1462 OG1 THR X 201 18.268 0.664 19.863 1.00 7.66 O ATOM 1463 CG2 THR X 201 17.036 0.453 17.849 1.00 8.30 C ATOM 1464 HG1 THR X 201 18.290 0.451 20.829 1.00 0.00 H ATOM 1465 H THR X 201 16.693 2.787 19.574 1.00 0.00 H ATOM 1466 N ASP X 202 16.490 1.190 22.278 1.00 6.48 N ATOM 1467 CA ASP X 202 16.664 0.876 23.683 1.00 6.28 C ATOM 1468 C ASP X 202 16.685 2.188 24.441 1.00 5.73 C ATOM 1469 O ASP X 202 17.087 3.212 23.897 1.00 5.89 O ATOM 1470 CB ASP X 202 18.000 0.145 23.919 1.00 6.74 C ATOM 1471 CG ASP X 202 18.112 -1.154 23.151 1.00 6.77 C ATOM 1472 OD1 ASP X 202 17.731 -2.217 23.699 1.00 7.39 O ATOM 1473 OD2 ASP X 202 18.607 -1.102 22.007 1.00 6.64 O ATOM 1474 H ASP X 202 16.885 2.080 21.913 1.00 0.00 H ATOM 1475 N CYS X 203 16.283 2.147 25.702 1.00 4.86 N ATOM 1476 CA CYS X 203 16.318 3.325 26.550 1.00 4.52 C ATOM 1477 C CYS X 203 16.234 2.870 27.991 1.00 4.18 C ATOM 1478 O CYS X 203 15.851 1.739 28.281 1.00 4.83 O ATOM 1479 CB CYS X 203 15.191 4.305 26.180 1.00 4.25 C ATOM 1480 SG CYS X 203 13.554 3.580 25.962 1.00 4.83 S ATOM 1481 H CYS X 203 15.934 1.249 26.094 1.00 0.00 H ATOM 1482 N GLY X 204 16.587 3.753 28.910 1.00 4.12 N ATOM 1483 CA GLY X 204 16.625 3.378 30.301 1.00 4.12 C ATOM 1484 C GLY X 204 17.220 4.460 31.165 1.00 3.90 C ATOM 1485 O GLY X 204 17.453 5.591 30.711 1.00 4.29 O ATOM 1486 H GLY X 204 16.838 4.722 28.628 1.00 0.00 H ATOM 1487 N GLN X 205 17.476 4.089 32.415 1.00 4.08 N ATOM 1488 CA GLN X 205 18.013 5.000 33.414 1.00 4.11 C ATOM 1489 C GLN X 205 19.416 4.574 33.813 1.00 4.23 C ATOM 1490 O GLN X 205 19.649 3.408 34.146 1.00 5.03 O ATOM 1491 CB GLN X 205 17.100 5.045 34.636 1.00 4.40 C ATOM 1492 CG GLN X 205 17.613 5.985 35.709 1.00 4.70 C ATOM 1493 CD GLN X 205 16.596 6.280 36.777 1.00 4.57 C ATOM 1494 OE1 GLN X 205 15.576 5.589 36.905 1.00 4.79 O ATOM 1495 NE2 GLN X 205 16.858 7.317 37.552 1.00 5.15 N ATOM 1496 HE22 GLN X 205 17.728 7.868 37.407 1.00 0.00 H ATOM 1497 HE21 GLN X 205 16.194 7.582 38.307 1.00 0.00 H ATOM 1498 H GLN X 205 17.284 3.105 32.691 1.00 0.00 H ATOM 1499 N LEU X 206 20.341 5.531 33.770 1.00 3.87 N ATOM 1500 CA LEU X 206 21.726 5.326 34.187 1.00 4.11 C ATOM 1501 C LEU X 206 21.970 5.607 35.661 1.00 4.21 C ATOM 1502 O LEU X 206 22.826 4.962 36.271 1.00 4.68 O ATOM 1503 CB LEU X 206 22.648 6.209 33.364 1.00 4.50 C ATOM 1504 CG LEU X 206 22.687 5.946 31.865 1.00 4.37 C ATOM 1505 CD1 LEU X 206 23.584 6.971 31.174 1.00 5.95 C ATOM 1506 CD2 LEU X 206 23.161 4.530 31.545 1.00 5.06 C ATOM 1507 H LEU X 206 20.064 6.471 33.422 1.00 0.00 H ATOM 1508 N SER X 207 21.273 6.600 36.213 1.00 4.24 N ATOM 1509 CA SER X 207 21.400 6.979 37.614 1.00 4.22 C ATOM 1510 C SER X 207 20.250 7.891 37.990 1.00 4.41 C ATOM 1511 O SER X 207 20.102 8.170 39.196 1.00 5.95 O ATOM 1512 CB SER X 207 22.720 7.679 37.890 1.00 4.77 C ATOM 1513 OG SER X 207 22.810 8.883 37.151 1.00 5.26 O ATOM 1514 OXT SER X 207 19.499 8.319 37.090 1.00 4.49 O ATOM 1515 HG SER X 207 22.067 9.484 37.410 1.00 0.00 H ATOM 1516 H SER X 207 20.607 7.129 35.615 1.00 0.00 H TER 1517 SER X 207 HETATM 1518 O HOH 1 16.037 12.430 41.513 1.00 10.03 O HETATM 1519 O HOH 2 19.628 -2.988 18.053 1.00 19.16 O HETATM 1520 O HOH 3 28.686 9.651 9.733 1.00 11.57 O HETATM 1521 O HOH 4 27.806 6.520 12.978 1.00 14.12 O HETATM 1522 O HOH 5 28.338 0.287 14.579 1.00 11.35 O HETATM 1523 O HOH 6 -2.282 30.032 25.374 1.00 17.55 O HETATM 1524 O HOH 7 16.243 -0.666 29.636 1.00 12.15 O HETATM 1525 O HOH 8 24.671 1.807 19.996 1.00 11.56 O HETATM 1526 O HOH 9 27.059 4.428 22.536 1.00 21.64 O HETATM 1527 O HOH 10 -4.303 28.634 24.239 1.00 26.80 O HETATM 1528 O HOH 11 20.448 1.646 18.416 1.00 10.41 O HETATM 1529 O HOH 12 15.791 0.131 14.107 1.00 19.27 O HETATM 1530 O HOH 13 10.926 16.331 43.919 1.00 9.26 O HETATM 1531 O HOH 14 13.802 4.274 5.323 1.00 19.85 O HETATM 1532 O HOH 15 12.054 14.340 42.269 1.00 7.90 O HETATM 1533 O HOH 16 8.826 12.680 41.745 1.00 21.35 O HETATM 1534 O HOH 17 21.633 8.122 41.475 1.00 7.19 O HETATM 1535 O HOH 18 14.165 10.596 40.460 1.00 8.70 O HETATM 1536 O HOH 19 8.346 9.971 42.277 1.00 28.40 O HETATM 1537 O HOH 20 12.530 9.795 42.488 1.00 10.87 O HETATM 1538 O HOH 21 27.442 2.796 15.544 1.00 16.26 O HETATM 1539 O HOH 22 22.605 3.167 18.938 1.00 7.73 O HETATM 1540 O HOH 23 7.201 2.058 41.702 1.00 21.04 O HETATM 1541 O HOH 24 25.701 5.546 28.937 1.00 10.71 O HETATM 1542 O HOH 25 27.222 7.208 21.250 1.00 9.46 O HETATM 1543 O HOH 26 5.895 14.029 7.591 1.00 11.55 O HETATM 1544 O HOH 27 13.865 23.275 43.567 1.00 17.78 O HETATM 1545 O HOH 28 20.229 21.523 38.441 1.00 22.24 O HETATM 1546 O HOH 29 9.938 24.331 40.441 1.00 10.08 O HETATM 1547 O HOH 30 20.491 30.730 30.505 1.00 14.90 O HETATM 1548 O HOH 31 6.024 16.367 42.428 1.00 12.57 O HETATM 1549 O HOH 32 7.758 14.174 30.602 1.00 5.31 O HETATM 1550 O HOH 33 4.842 19.806 32.303 1.00 4.34 O HETATM 1551 O HOH 34 10.852 8.183 41.069 1.00 15.16 O HETATM 1552 O HOH 35 6.254 6.941 39.168 1.00 11.29 O HETATM 1553 O HOH 36 17.768 30.904 30.855 1.00 8.54 O HETATM 1554 O HOH 37 10.732 2.098 27.290 1.00 5.88 O HETATM 1555 O HOH 38 12.980 0.491 28.053 1.00 7.51 O HETATM 1556 O HOH 39 11.245 -1.534 33.396 1.00 12.08 O HETATM 1557 O HOH 40 12.637 -2.061 29.101 1.00 18.07 O HETATM 1558 O HOH 41 -4.363 27.856 29.779 1.00 19.18 O HETATM 1559 O HOH 42 7.866 -1.555 29.085 1.00 11.82 O HETATM 1560 O HOH 43 9.584 -3.399 32.383 1.00 16.45 O HETATM 1561 O HOH 44 11.235 3.142 40.125 1.00 14.79 O HETATM 1562 O HOH 45 7.129 2.455 38.962 1.00 12.16 O HETATM 1563 O HOH 46 25.068 21.648 18.631 1.00 15.97 O HETATM 1564 O HOH 47 6.841 3.126 32.003 1.00 6.58 O HETATM 1565 O HOH 48 18.549 7.121 3.031 1.00 23.29 O HETATM 1566 O HOH 49 5.238 0.971 24.842 1.00 11.66 O HETATM 1567 O HOH 50 8.607 0.319 27.211 1.00 8.99 O HETATM 1568 O HOH 51 7.858 0.133 24.541 1.00 10.14 O HETATM 1569 O HOH 52 14.990 -0.465 26.289 1.00 11.34 O HETATM 1570 O HOH 53 10.505 -0.650 16.810 1.00 24.21 O HETATM 1571 O HOH 54 19.862 24.346 33.155 1.00 11.51 O HETATM 1572 O HOH 55 27.721 4.470 25.166 1.00 22.12 O HETATM 1573 O HOH 56 6.848 6.253 17.129 1.00 13.25 O HETATM 1574 O HOH 57 7.449 7.643 12.594 1.00 15.56 O HETATM 1575 O HOH 58 7.032 9.365 17.616 1.00 8.98 O HETATM 1576 O HOH 59 16.355 0.868 35.736 1.00 7.52 O HETATM 1577 O HOH 60 11.808 8.275 11.475 1.00 8.87 O HETATM 1578 O HOH 61 9.004 11.192 9.407 1.00 9.68 O HETATM 1579 O HOH 62 6.801 14.733 10.180 1.00 8.47 O HETATM 1580 O HOH 63 21.143 19.114 9.609 1.00 15.86 O HETATM 1581 O HOH 64 14.852 14.527 2.822 1.00 24.53 O HETATM 1582 O HOH 65 16.944 33.023 29.202 1.00 13.51 O HETATM 1583 O HOH 66 17.394 32.332 26.518 1.00 14.43 O HETATM 1584 O HOH 67 14.994 22.915 7.977 1.00 18.87 O HETATM 1585 O HOH 68 21.647 21.792 10.085 1.00 25.60 O HETATM 1586 O HOH 69 13.178 -1.526 17.686 1.00 26.38 O HETATM 1587 O HOH 70 -3.349 3.453 17.971 1.00 20.97 O HETATM 1588 O HOH 71 -4.675 4.924 16.006 1.00 24.61 O HETATM 1589 O HOH 72 5.583 9.047 11.035 1.00 15.39 O HETATM 1590 O HOH 73 4.740 13.755 11.577 1.00 11.95 O HETATM 1591 O HOH 74 3.983 11.227 11.071 1.00 11.89 O HETATM 1592 O HOH 75 0.340 12.577 12.057 1.00 7.29 O HETATM 1593 O HOH 76 2.302 12.711 23.654 1.00 5.44 O HETATM 1594 O HOH 77 -6.530 12.441 25.766 1.00 15.39 O HETATM 1595 O HOH 78 -3.685 6.988 29.120 1.00 14.23 O HETATM 1596 O HOH 79 2.960 18.908 35.593 1.00 5.91 O HETATM 1597 O HOH 80 5.580 20.360 40.395 1.00 8.49 O HETATM 1598 O HOH 81 6.369 24.499 39.421 1.00 16.40 O HETATM 1599 O HOH 82 10.840 24.355 33.204 1.00 4.51 O HETATM 1600 O HOH 83 6.129 29.122 34.974 1.00 11.94 O HETATM 1601 O HOH 84 9.056 30.356 36.812 1.00 12.22 O HETATM 1602 O HOH 85 9.927 26.948 39.249 1.00 9.78 O HETATM 1603 O HOH 86 13.389 31.438 34.974 1.00 10.23 O HETATM 1604 O HOH 87 10.069 25.402 30.694 1.00 4.49 O HETATM 1605 O HOH 88 17.309 24.986 29.732 1.00 7.92 O HETATM 1606 O HOH 89 10.054 32.839 29.029 1.00 12.75 O HETATM 1607 O HOH 90 16.941 28.321 31.559 1.00 6.30 O HETATM 1608 O HOH 91 19.982 31.425 25.612 1.00 16.83 O HETATM 1609 O HOH 92 22.315 29.269 22.040 1.00 21.73 O HETATM 1610 O HOH 93 -1.350 24.038 34.628 1.00 10.68 O HETATM 1611 O HOH 94 -2.577 26.797 31.863 1.00 16.06 O HETATM 1612 O HOH 95 5.154 21.305 26.680 1.00 3.91 O HETATM 1613 O HOH 96 23.279 22.001 16.687 1.00 18.24 O HETATM 1614 O HOH 97 16.560 25.580 22.660 1.00 7.18 O HETATM 1615 O HOH 98 16.480 5.877 3.787 1.00 18.02 O HETATM 1616 O HOH 99 13.653 36.804 20.103 1.00 22.96 O HETATM 1617 O HOH 100 15.434 31.021 25.130 1.00 11.70 O HETATM 1618 O HOH 101 1.585 28.301 27.437 1.00 9.99 O HETATM 1619 O HOH 102 3.533 31.322 29.407 1.00 11.71 O HETATM 1620 O HOH 103 1.690 25.567 27.007 1.00 6.69 O HETATM 1621 O HOH 104 3.540 25.451 20.354 1.00 11.92 O HETATM 1622 O HOH 105 9.497 27.396 28.367 1.00 5.88 O HETATM 1623 O HOH 106 -2.364 9.577 37.776 1.00 10.52 O HETATM 1624 O HOH 107 29.642 14.055 27.996 1.00 8.19 O HETATM 1625 O HOH 108 30.450 7.837 28.453 1.00 7.74 O HETATM 1626 O HOH 109 29.716 11.565 29.283 1.00 6.37 O HETATM 1627 O HOH 110 27.132 9.104 23.224 1.00 7.65 O HETATM 1628 O HOH 111 30.019 7.390 24.287 1.00 19.05 O HETATM 1629 O HOH 112 27.627 6.368 27.075 1.00 10.70 O HETATM 1630 O HOH 113 27.304 13.928 13.954 1.00 9.43 O HETATM 1631 O HOH 114 28.788 10.038 15.363 1.00 11.19 O HETATM 1632 O HOH 115 26.036 14.700 11.691 1.00 12.56 O HETATM 1633 O HOH 116 22.828 17.934 11.473 1.00 8.21 O HETATM 1634 O HOH 117 10.660 19.160 3.240 1.00 15.31 O HETATM 1635 O HOH 118 12.690 13.633 4.038 1.00 17.32 O HETATM 1636 O HOH 119 11.101 7.637 7.456 1.00 20.28 O HETATM 1637 O HOH 120 12.811 6.694 5.561 1.00 19.54 O HETATM 1638 O HOH 121 17.046 14.074 4.951 1.00 17.88 O HETATM 1639 O HOH 122 23.111 6.610 9.030 1.00 27.63 O HETATM 1640 O HOH 123 20.747 4.089 5.706 1.00 16.94 O HETATM 1641 O HOH 124 20.878 1.099 33.089 1.00 19.67 O HETATM 1642 O HOH 125 19.909 2.624 36.920 1.00 13.05 O HETATM 1643 O HOH 126 15.260 2.873 37.296 1.00 9.43 O HETATM 1644 O HOH 127 16.753 1.358 33.032 1.00 6.91 O HETATM 1645 O HOH 128 22.422 2.462 37.987 1.00 23.56 O HETATM 1646 O HOH 129 14.770 14.708 42.504 1.00 10.70 O HETATM 1647 O HOH 130 18.664 16.200 43.742 1.00 10.30 O HETATM 1648 O HOH 131 24.612 2.504 22.593 1.00 22.39 O HETATM 1649 O HOH 132 12.396 33.861 27.840 1.00 18.68 O HETATM 1650 O HOH 133 14.376 19.880 3.308 1.00 23.11 O HETATM 1651 O HOH 134 6.044 17.436 10.248 1.00 8.93 O HETATM 1652 O HOH 135 12.084 12.103 43.762 1.00 7.78 O HETATM 1653 O HOH 136 18.095 -3.310 20.453 1.00 19.65 O HETATM 1654 O HOH 137 10.462 24.141 8.642 1.00 21.73 O HETATM 1655 O HOH 138 14.774 25.406 10.430 1.00 26.32 O HETATM 1656 O HOH 139 23.382 27.248 17.773 1.00 27.20 O HETATM 1657 O HOH 140 21.451 28.569 19.175 1.00 10.03 O HETATM 1658 O HOH 141 28.900 10.825 21.904 1.00 8.72 O HETATM 1659 O HOH 142 18.788 11.845 44.844 1.00 6.77 O HETATM 1660 O HOH 143 5.716 12.292 39.891 1.00 9.35 O HETATM 1661 O HOH 144 16.650 16.569 41.954 1.00 11.90 O HETATM 1662 O HOH 145 27.896 17.420 17.513 1.00 18.67 O HETATM 1663 O HOH 146 28.854 16.095 15.501 1.00 8.82 O HETATM 1664 O HOH 147 -1.565 6.638 30.960 1.00 13.42 O HETATM 1665 O HOH 148 26.684 8.344 14.609 1.00 14.50 O HETATM 1666 O HOH 149 2.183 22.918 19.667 1.00 13.72 O HETATM 1667 O HOH 150 11.122 -0.649 9.651 1.00 27.40 O HETATM 1668 O HOH 151 17.917 30.863 17.693 1.00 22.51 O HETATM 1669 O HOH 152 20.632 18.887 7.024 1.00 20.47 O HETATM 1670 O HOH 153 27.044 -0.022 12.185 1.00 27.34 O HETATM 1671 O HOH 154 6.990 16.136 3.532 1.00 15.94 O HETATM 1672 O HOH 155 20.367 18.289 43.436 1.00 30.80 O HETATM 1673 O HOH 156 10.836 -2.618 20.990 1.00 22.50 O HETATM 1674 O HOH 157 20.032 8.240 43.644 1.00 21.49 O HETATM 1675 O HOH 158 16.992 8.220 43.586 1.00 23.96 O HETATM 1676 O HOH 159 13.347 6.134 40.449 1.00 25.76 O HETATM 1677 O HOH 160 13.928 3.349 39.732 1.00 14.28 O HETATM 1678 O HOH 161 15.161 2.601 41.988 1.00 19.48 O HETATM 1679 O HOH 162 7.473 23.825 41.748 1.00 10.49 O HETATM 1680 O HOH 163 11.355 23.950 42.758 1.00 18.76 O HETATM 1681 O HOH 164 6.973 14.350 40.974 1.00 14.51 O HETATM 1682 O HOH 165 7.888 13.470 43.749 1.00 16.73 O HETATM 1683 O HOH 166 7.035 21.273 42.471 1.00 22.24 O HETATM 1684 O HOH 167 8.626 -1.401 39.621 1.00 18.85 O HETATM 1685 O HOH 168 11.195 0.959 41.823 1.00 16.31 O HETATM 1686 O HOH 169 6.671 9.949 8.541 1.00 15.79 O HETATM 1687 O HOH 170 -0.619 7.266 8.841 1.00 19.52 O HETATM 1688 O HOH 171 1.917 7.361 37.715 1.00 25.95 O HETATM 1689 O HOH 172 5.969 31.508 33.481 1.00 15.46 O HETATM 1690 O HOH 173 25.535 26.909 19.463 1.00 33.04 O HETATM 1691 O HOH 174 8.832 21.272 2.408 1.00 21.52 O HETATM 1692 O HOH 175 7.898 22.901 4.296 1.00 27.39 O HETATM 1693 O HOH 176 12.945 0.872 8.214 1.00 30.93 O HETATM 1694 O HOH 177 10.364 -3.077 29.696 1.00 18.73 O HETATM 1695 O HOH 178 13.758 -4.045 27.378 1.00 23.77 O HETATM 1696 O HOH 179 3.461 15.613 15.822 1.00 3.87 O HETATM 1697 O HOH 180 -2.102 9.559 9.543 1.00 7.42 O HETATM 1698 O HOH 181 0.464 29.418 25.166 1.00 19.80 O HETATM 1699 O HOH 182 0.008 26.430 30.801 1.00 10.14 O HETATM 1700 O HOH 183 -5.486 6.865 31.334 1.00 13.56 O HETATM 1701 O HOH 184 13.473 -2.004 20.340 1.00 16.55 O HETATM 1702 O HOH 185 0.208 0.598 26.897 1.00 20.42 O HETATM 1703 O HOH 186 9.099 6.382 8.539 1.00 24.07 O HETATM 1704 O HOH 187 22.396 11.214 38.694 1.00 5.19 O HETATM 1705 O HOH 188 18.275 9.955 40.115 1.00 10.49 O HETATM 1706 O HOH 189 12.147 11.468 38.727 1.00 6.83 O HETATM 1707 O HOH 190 10.882 13.557 39.932 1.00 7.78 O HETATM 1708 O HOH 191 29.163 5.148 29.214 1.00 15.29 O HETATM 1709 O HOH 192 31.835 6.798 26.288 1.00 8.04 O HETATM 1710 O HOH 193 28.203 8.255 18.907 1.00 20.94 O HETATM 1711 O HOH 194 21.499 22.910 14.010 1.00 8.67 O HETATM 1712 O HOH 195 22.276 24.874 25.006 1.00 25.31 O HETATM 1713 O HOH 196 0.665 26.305 24.477 1.00 13.45 O HETATM 1714 O HOH 197 11.734 11.418 2.652 1.00 21.93 O HETATM 1715 O HOH 198 5.960 -3.323 34.417 1.00 23.06 O HETATM 1716 O HOH 199 7.049 -3.805 32.048 1.00 25.35 O HETATM 1717 O HOH 200 3.582 27.545 18.739 1.00 23.26 O HETATM 1718 O HOH 201 1.830 25.204 22.458 1.00 14.68 O HETATM 1719 O HOH 202 7.211 6.145 41.995 1.00 28.83 O HETATM 1720 O HOH 203 -4.846 8.576 24.397 1.00 19.69 O HETATM 1721 O HOH 204 8.462 32.611 32.690 1.00 11.16 O HETATM 1722 O HOH 205 13.631 10.466 1.121 1.00 25.46 O HETATM 1723 O HOH 206 15.821 8.606 39.876 1.00 10.54 O HETATM 1724 O HOH 207 21.496 -0.917 19.078 1.00 23.34 O HETATM 1725 O HOH 208 9.905 8.032 20.106 1.00 15.18 O HETATM 1726 O HOH 209 2.763 26.297 34.419 1.00 23.99 O HETATM 1727 O HOH 210 5.874 31.898 30.750 1.00 19.84 O HETATM 1728 O HOH 211 2.125 31.206 31.653 1.00 26.80 O HETATM 1729 O HOH 212 3.460 32.662 33.833 1.00 21.70 O HETATM 1730 O HOH 213 14.767 -0.219 31.804 1.00 7.39 O HETATM 1731 O HOH 214 12.834 2.929 2.929 1.00 9.67 O HETATM 1732 O HOH 215 17.434 -0.989 27.883 1.00 21.63 O HETATM 1733 O HOH 216 20.565 30.986 17.786 1.00 26.44 O HETATM 1734 O HOH 217 6.559 7.265 8.047 1.00 21.62 O HETATM 1735 O HOH 218 17.063 22.327 30.511 1.00 6.39 O HETATM 1736 O HOH 219 5.639 30.635 19.548 1.00 23.27 O HETATM 1737 O HOH 220 29.088 13.267 23.258 1.00 7.83 O HETATM 1738 O HOH 221 21.868 25.114 12.506 1.00 23.41 O HETATM 1739 O HOH 222 10.351 21.191 42.813 1.00 14.58 O HETATM 1740 O HOH 223 3.089 33.680 28.006 1.00 23.24 O HETATM 1741 O HOH 224 6.628 -0.223 38.045 1.00 15.72 O HETATM 1742 O HOH 225 23.308 19.997 25.733 1.00 13.71 O HETATM 1743 O HOH 226 6.694 20.599 10.240 1.00 15.40 O HETATM 1744 O HOH 227 -2.113 2.575 30.039 1.00 17.12 O HETATM 1745 O HOH 228 2.930 18.588 44.129 1.00 12.74 O HETATM 1746 O HOH 229 -3.270 10.107 22.664 1.00 21.91 O HETATM 1747 O HOH 230 1.596 4.623 35.174 1.00 22.20 O HETATM 1748 O HOH 231 3.923 -1.348 25.845 1.00 17.37 O HETATM 1749 O HOH 232 28.873 14.781 20.884 1.00 12.56 O HETATM 1750 O HOH 233 -0.740 6.227 11.312 1.00 17.18 O HETATM 1751 O HOH 234 2.300 4.691 38.424 1.00 25.11 O HETATM 1752 O HOH 235 3.436 26.659 37.334 1.00 24.89 O HETATM 1753 O HOH 236 5.243 32.316 25.393 1.00 23.27 O HETATM 1754 O HOH 237 9.530 6.679 11.075 1.00 16.72 O HETATM 1755 O HOH 238 7.202 1.366 20.658 1.00 11.30 O HETATM 1756 O HOH 239 -1.665 4.199 31.987 1.00 22.69 O HETATM 1757 O HOH 240 22.850 25.413 16.040 1.00 30.42 O HETATM 1758 O HOH 241 18.654 9.762 3.884 1.00 28.67 O HETATM 1759 O HOH 242 30.693 14.029 25.461 1.00 13.52 O HETATM 1760 O HOH 243 7.251 27.619 39.639 1.00 23.94 O HETATM 1761 O HOH 244 19.363 24.239 35.901 1.00 10.66 O HETATM 1762 O HOH 245 14.425 -2.187 30.988 1.00 7.77 O HETATM 1763 O HOH 246 21.812 21.897 26.195 1.00 25.89 O HETATM 1764 O HOH 247 16.116 -5.124 23.935 1.00 29.40 O HETATM 1765 O HOH 248 32.264 4.255 26.646 1.00 13.51 O HETATM 1766 O HOH 249 -5.149 13.422 30.921 1.00 8.87 O HETATM 1767 O HOH 250 7.232 2.407 22.383 1.00 12.40 O HETATM 1768 O HOH 251 22.549 24.515 33.842 1.00 24.82 O HETATM 1769 O HOH 252 23.025 0.723 31.132 1.00 29.91 O HETATM 1770 O HOH 253 7.467 33.539 28.872 1.00 26.80 O HETATM 1771 O HOH 254 25.707 21.423 21.242 1.00 30.22 O HETATM 1772 O HOH 255 22.679 12.900 6.409 1.00 23.49 O HETATM 1773 O HOH 256 21.058 -1.510 15.159 1.00 23.52 O HETATM 1774 O HOH 257 21.415 -0.747 21.929 1.00 29.11 O HETATM 1775 O HOH 258 30.213 4.199 25.334 1.00 21.58 O HETATM 1776 O HOH 259 -6.382 14.104 28.487 1.00 22.00 O HETATM 1777 O HOH 260 10.553 5.444 41.531 1.00 30.97 O HETATM 1778 O HOH 261 1.218 0.411 34.897 1.00 26.64 O HETATM 1779 O HOH 262 4.799 -3.591 24.589 1.00 34.37 O HETATM 1780 O HOH 263 1.201 21.429 27.055 1.00 4.11 O HETATM 1781 O HOH 264 6.971 23.244 9.716 1.00 30.43 O HETATM 1782 O HOH 265 9.784 24.610 11.230 1.00 31.51 O HETATM 1783 O HOH 266 22.235 24.128 27.770 1.00 29.10 O HETATM 1784 O HOH 267 21.210 18.878 40.881 1.00 23.82 O HETATM 1785 O HOH 268 19.267 -1.031 27.163 1.00 22.87 O HETATM 1786 O HOH 269 3.132 35.126 33.281 1.00 30.18 O HETATM 1787 O HOH 270 3.896 6.829 10.367 1.00 25.81 O HETATM 1788 O HOH 271 17.376 17.953 4.489 1.00 37.64 O HETATM 1789 O HOH 272 -2.345 26.555 35.184 1.00 29.07 O HETATM 1790 O HOH 273 11.144 15.287 2.393 1.00 31.73 O HETATM 1791 O HOH 274 16.304 27.686 9.520 1.00 32.54 O HETATM 1792 O HOH 275 31.986 3.288 23.397 1.00 32.79 O HETATM 1793 O HOH 276 0.853 27.298 33.349 1.00 27.34 O HETATM 1794 O HOH 277 6.545 29.688 37.551 1.00 25.23 O HETATM 1795 O HOH 278 23.237 0.016 28.647 1.00 32.54 O HETATM 1796 O HOH 279 24.520 12.358 8.133 1.00 20.98 O HETATM 1797 O HOH 280 7.235 32.558 23.480 1.00 29.60 O HETATM 1798 O HOH 281 4.930 31.331 38.121 1.00 21.91 O HETATM 1799 O HOH 282 14.683 0.455 9.686 1.00 27.73 O HETATM 1800 O HOH 283 1.794 4.871 11.819 1.00 30.31 O HETATM 1801 O HOH 284 -5.274 23.727 26.141 1.00 8.35 O HETATM 1802 O HOH 285 -5.168 22.184 23.448 1.00 17.17 O HETATM 1803 O HOH 286 5.778 17.996 1.983 1.00 16.83 O HETATM 1804 O HOH 287 15.692 2.107 12.111 1.00 19.31 O HETATM 1805 O HOH 288 4.808 1.184 22.149 1.00 9.98 O HETATM 1806 O HOH 289 7.120 14.027 1.979 1.00 18.52 O HETATM 1807 O HOH 290 9.229 17.001 3.053 1.00 31.03 O HETATM 1808 O HOH 291 6.132 11.386 3.179 1.00 17.24 O HETATM 1809 O HOH 292 23.554 26.431 36.195 1.00 28.77 O HETATM 1810 O HOH 293 4.792 10.511 41.234 1.00 27.56 O HETATM 1811 O HOH 294 -5.567 6.429 17.580 1.00 22.90 O HETATM 1812 O HOH 295 6.906 -3.994 28.141 1.00 34.48 O HETATM 1813 O HOH 296 15.943 23.673 41.596 1.00 22.64 O HETATM 1814 O HOH 297 22.876 18.190 6.916 1.00 33.79 O HETATM 1815 O HOH 298 25.244 7.990 8.015 1.00 33.61 O HETATM 1816 O HOH 299 1.546 1.915 24.650 1.00 26.23 O HETATM 1817 O HOH 300 18.948 21.866 31.774 1.00 11.48 O HETATM 1818 O HOH 301 24.387 23.758 30.711 1.00 4.95 O HETATM 1819 O HOH 302 21.406 31.348 27.964 1.00 25.33 O HETATM 1820 O HOH 303 9.507 -2.422 18.632 1.00 29.08 O HETATM 1821 O HOH 304 7.073 2.420 13.951 1.00 22.40 O HETATM 1822 O HOH 305 12.761 26.619 12.396 1.00 23.86 O HETATM 1823 O HOH 306 3.964 15.602 25.056 1.00 4.30 O HETATM 1824 O HOH 307 13.201 24.755 8.262 1.00 29.41 O HETATM 1825 O HOH 308 12.601 33.830 25.421 1.00 21.13 O HETATM 1826 O HOH 309 17.588 23.543 37.357 1.00 22.96 O HETATM 1827 O HOH 310 20.161 23.586 29.071 1.00 24.32 O HETATM 1828 O HOH 311 8.789 -0.085 42.471 1.00 28.93 O HETATM 1829 O HOH 312 -0.773 24.514 19.844 1.00 23.13 O HETATM 1830 O HOH 313 21.923 34.569 24.217 1.00 15.77 O HETATM 1831 O HOH 314 7.990 26.366 15.925 1.00 18.87 O HETATM 1832 O HOH 315 9.810 13.059 1.442 1.00 28.84 O HETATM 1833 O HOH 316 24.706 20.876 23.760 1.00 35.51 O HETATM 1834 O HOH 317 14.556 26.788 14.053 1.00 30.25 O HETATM 1835 O HOH 318 0.875 -2.562 29.032 1.00 30.11 O HETATM 1836 O HOH 319 2.531 33.141 25.420 1.00 26.69 O HETATM 1837 O HOH 320 22.560 33.880 27.811 1.00 35.37 O HETATM 1838 O HOH 321 -3.011 27.811 22.176 1.00 31.54 O HETATM 1839 O HOH 322 -5.961 27.621 25.746 1.00 26.31 O HETATM 1840 O HOH 323 -5.417 24.056 21.788 1.00 35.41 O HETATM 1841 O HOH 324 3.442 28.206 35.044 1.00 17.02 O HETATM 1842 O HOH 325 22.165 27.543 13.239 1.00 35.23 O HETATM 1843 O HOH 326 25.345 22.276 31.479 1.00 22.30 O HETATM 1844 O HOH 327 19.143 4.505 38.388 1.00 12.87 O HETATM 1845 O HOH 328 17.501 3.031 39.650 1.00 36.41 O HETATM 1846 O HOH 329 5.912 33.024 18.357 1.00 34.38 O HETATM 1847 O HOH 330 3.472 -1.111 21.535 1.00 30.50 O HETATM 1848 O HOH 331 7.044 -0.747 19.144 1.00 34.93 O HETATM 1849 O HOH 332 25.815 4.540 12.141 1.00 27.02 O HETATM 1850 O HOH 333 27.651 20.869 26.895 1.00 18.77 O HETATM 1851 O HOH 334 -0.919 -0.020 30.773 1.00 33.47 O HETATM 1852 O HOH 335 4.128 8.476 39.542 1.00 29.69 O HETATM 1853 O HOH 336 24.758 27.860 21.997 1.00 27.70 O HETATM 1854 O HOH 337 6.081 5.163 12.658 1.00 30.96 O HETATM 1855 O HOH 338 24.080 22.069 27.757 1.00 34.17 O HETATM 1856 O HOH 339 2.441 7.639 23.169 1.00 16.68 O HETATM 1857 O HOH 340 3.898 -4.450 28.856 1.00 32.95 O HETATM 1858 O HOH 341 0.130 11.763 40.251 1.00 23.23 O HETATM 1859 O HOH 342 14.232 25.006 40.541 1.00 26.04 O HETATM 1860 O HOH 343 21.155 -1.259 17.009 1.00 26.34 O HETATM 1861 O HOH 344 19.959 -2.245 8.627 1.00 26.66 O HETATM 1862 O HOH 345 21.617 4.348 8.286 1.00 27.09 O HETATM 1863 O HOH 346 0.854 -0.966 31.630 1.00 30.04 O HETATM 1864 O HOH 347 18.952 17.142 6.065 1.00 28.54 O HETATM 1865 O HOH 348 -3.594 6.486 14.818 1.00 28.24 O HETATM 1866 O HOH 349 7.353 34.851 20.035 1.00 30.93 O HETATM 1867 O HOH 350 5.401 28.753 17.522 1.00 30.16 O HETATM 1868 O HOH 351 11.479 2.644 6.757 1.00 22.96 O HETATM 1869 O HOH 352 22.594 32.019 21.867 1.00 28.62 O HETATM 1870 O HOH 353 15.665 12.658 0.861 1.00 29.32 O HETATM 1871 O HOH 354 -0.053 2.918 34.172 1.00 30.57 O HETATM 1872 O HOH 355 -0.222 4.763 11.913 1.00 24.27 O HETATM 1873 O HOH 356 18.754 21.770 36.927 1.00 25.40 O HETATM 1874 O HOH 357 21.109 33.276 24.029 1.00 26.28 O HETATM 1875 O HOH 358 -2.542 2.542 21.950 1.00 28.98 O HETATM 1876 O HOH 359 18.511 5.638 41.054 1.00 29.67 O HETATM 1877 O HOH 360 -7.897 25.799 23.834 1.00 25.60 O HETATM 1878 O HOH 361 15.047 -1.662 15.730 1.00 29.32 O HETATM 1879 O HOH 362 4.421 13.849 41.514 1.00 26.09 O HETATM 1880 O HOH 363 21.220 -0.644 25.308 1.00 27.08 O HETATM 1881 O HOH 364 -0.672 28.521 23.494 1.00 26.74 O HETATM 1882 O HOH 365 12.296 6.928 3.025 1.00 28.11 O HETATM 1883 O HOH 366 16.090 35.540 22.888 1.00 25.58 O HETATM 1884 O HOH 367 -0.011 7.236 41.236 1.00 27.33 O HETATM 1885 O HOH 368 23.002 26.773 28.976 1.00 26.51 O HETATM 1886 O HOH 369 27.685 17.035 24.024 1.00 5.60 O HETATM 1887 O HOH 370 -3.236 7.634 26.414 1.00 26.47 O HETATM 1888 O HOH 371 -1.913 10.482 40.785 1.00 30.39 O HETATM 1889 O HOH 372 7.624 5.669 2.652 1.00 28.81 O HETATM 1890 O HOH 373 -4.372 7.569 27.018 1.00 28.08 O HETATM 1891 O HOH 374 -5.381 10.201 20.687 1.00 27.24 O HETATM 1892 O HOH 375 16.394 23.984 4.088 1.00 28.13 O HETATM 1893 O HOH 376 13.327 16.179 1.524 1.00 29.29 O HETATM 1894 O HOH 377 14.764 17.212 1.846 1.00 28.25 O HETATM 1895 O HOH 378 18.361 11.434 1.194 1.00 29.40 O HETATM 1896 O HOH 379 27.091 15.869 23.641 1.00 12.63 O HETATM 1897 O HOH 380 -1.596 11.789 40.881 1.00 29.59 O HETATM 1898 O HOH 381 15.261 6.960 41.149 1.00 29.89 O HETATM 1899 O HOH 382 22.162 36.779 23.161 1.00 29.93 O HETATM 1900 O HOH 383 -2.216 6.621 22.254 1.00 29.88 O HETATM 1901 O HOH 384 27.318 4.047 17.706 1.00 29.82 O HETATM 1902 O HOH 385 18.701 -2.585 26.505 1.00 29.83 O HETATM 1903 O HOH 386 16.930 -2.030 26.118 1.00 29.81 O HETATM 1904 O HOH 387 15.217 34.031 25.506 1.00 29.86 O HETATM 1905 O HOH 388 8.186 27.271 14.379 1.00 29.79 O HETATM 1906 O HOH 389 4.127 14.322 43.610 1.00 29.86 O HETATM 1907 O HOH 390 0.316 26.991 23.202 1.00 29.86 O HETATM 1908 O HOH 391 21.902 15.962 5.585 1.00 29.93 O HETATM 1909 O HOH 392 18.052 27.885 7.944 1.00 29.85 O HETATM 1910 O HOH 393 12.292 4.694 3.436 1.00 29.79 O HETATM 1911 O HOH 394 14.486 26.827 7.298 1.00 29.89 O HETATM 1912 O HOH 395 16.919 22.131 5.810 1.00 29.96 O HETATM 1913 O HOH 396 5.705 34.540 27.192 1.00 29.88 O HETATM 1914 O HOH 397 11.460 9.132 3.335 1.00 29.86 O HETATM 1915 O HOH 398 17.719 -4.783 27.469 1.00 29.82 O HETATM 1916 O HOH 399 4.250 16.210 44.328 1.00 29.83 O HETATM 1917 O HOH 400 -7.400 26.241 22.168 1.00 29.81 O HETATM 1918 O HOH 401 22.165 0.648 6.886 1.00 29.88 O HETATM 1919 O HOH 402 2.177 8.787 39.690 1.00 29.84 O HETATM 1920 O HOH 403 9.307 4.005 7.360 1.00 29.93 O HETATM 1921 O HOH 404 6.415 23.013 6.490 1.00 29.85 O HETATM 1922 O HOH 405 19.978 37.062 21.950 1.00 29.97 O HETATM 1923 O HOH 406 26.921 20.677 22.466 1.00 29.81 O HETATM 1924 O HOH 407 26.196 22.555 20.500 1.00 29.84 O HETATM 1925 O HOH 408 22.824 -1.901 9.444 1.00 29.88 O HETATM 1926 O HOH 409 22.909 22.846 30.992 1.00 29.94 O HETATM 1927 O HOH 410 22.501 23.386 29.788 1.00 30.07 O HETATM 1928 O HOH 411 3.612 -2.059 35.826 1.00 29.99 O HETATM 1929 O HOH 412 23.739 -0.637 20.134 1.00 29.94 O HETATM 1930 O HOH 413 12.639 5.597 43.626 1.00 29.97 O HETATM 1931 O HOH 414 21.948 23.092 28.583 1.00 29.98 O HETATM 1932 O HOH 415 -3.954 4.004 33.771 1.00 29.93 O HETATM 1933 O HOH 416 -0.458 3.989 24.146 1.00 29.94 O HETATM 1934 O HOH 417 0.611 -0.897 29.175 1.00 29.95 O HETATM 1935 O HOH 418 26.077 6.607 6.364 1.00 29.97 O HETATM 1936 O HOH 419 20.587 26.887 9.115 1.00 29.96 O HETATM 1937 O HOH 420 2.218 24.713 18.292 1.00 29.99 O HETATM 1938 O HOH 421 16.122 17.798 -0.297 1.00 29.96 O HETATM 1939 O HOH 422 26.273 5.777 10.889 1.00 29.95 O HETATM 1940 O HOH 423 24.997 6.542 10.198 1.00 29.96 O HETATM 1941 O HOH 424 5.091 26.599 39.391 1.00 29.96 O HETATM 1942 O HOH 425 1.218 31.497 24.520 1.00 29.94 O HETATM 1943 O HOH 426 -6.436 5.811 23.500 1.00 30.02 O HETATM 1944 O HOH 427 29.185 2.467 28.461 1.00 29.97 O HETATM 1945 O HOH 428 21.808 3.767 39.629 1.00 29.94 O HETATM 1946 O HOH 429 8.948 0.245 9.324 1.00 29.96 O HETATM 1947 O HOH 430 14.268 -0.019 29.370 1.00 29.96 O HETATM 1948 O HOH 431 22.816 8.239 3.048 1.00 30.00 O HETATM 1949 O HOH 432 6.626 -0.322 16.452 1.00 29.97 O HETATM 1950 O HOH 433 -1.885 1.156 19.448 1.00 29.95 O HETATM 1951 O HOH 434 5.410 -5.080 31.401 1.00 29.97 O HETATM 1952 O HOH 435 8.267 34.843 23.428 1.00 29.97 O HETATM 1953 O HOH 436 3.774 -4.140 33.330 1.00 29.98 O HETATM 1954 O HOH 437 23.588 26.911 24.649 1.00 29.97 O HETATM 1955 O HOH 438 8.829 25.004 12.419 1.00 29.96 O HETATM 1956 O HOH 439 4.007 -0.100 38.712 1.00 29.96 O HETATM 1957 O HOH 440 2.217 0.985 37.765 1.00 29.96 O HETATM 1958 O HOH 441 1.889 30.364 38.445 1.00 29.96 O HETATM 1959 O HOH 442 7.812 -2.466 24.046 1.00 29.96 O HETATM 1960 O HOH 443 1.488 1.818 23.269 1.00 29.99 O HETATM 1961 O HOH 444 0.584 0.980 20.442 1.00 29.97 O HETATM 1962 O HOH 445 16.747 1.227 15.959 1.00 29.91 O HETATM 1963 O HOH 446 -4.181 10.521 18.304 1.00 30.00 O HETATM 1964 O HOH 447 12.926 36.425 24.396 1.00 29.97 O HETATM 1965 O HOH 448 16.773 -0.835 25.665 1.00 29.95 O HETATM 1966 O HOH 449 22.777 -2.823 22.538 1.00 29.95 O HETATM 1967 O HOH 450 24.926 15.907 10.597 1.00 29.96 O HETATM 1968 O HOH 451 8.595 33.289 24.408 1.00 30.01 O HETATM 1969 O HOH 452 20.915 27.558 11.922 1.00 29.98 O HETATM 1970 O HOH 453 18.896 24.672 7.737 1.00 29.98 O HETATM 1971 O HOH 454 12.990 3.515 43.953 1.00 30.27 O HETATM 1972 O HOH 455 3.215 1.255 22.889 1.00 29.95 O HETATM 1973 O HOH 456 1.699 -0.266 25.009 1.00 29.98 O HETATM 1974 O HOH 457 21.554 31.290 15.312 1.00 29.95 O HETATM 1975 O HOH 458 21.084 13.014 5.099 1.00 30.03 O HETATM 1976 O HOH 459 -3.248 5.935 24.406 1.00 30.01 O HETATM 1977 O HOH 460 11.381 25.221 10.675 1.00 30.01 O HETATM 1978 O HOH 461 24.400 24.083 24.083 1.00 29.98 O HETATM 1979 O HOH 462 -6.596 17.716 24.612 1.00 29.80 O HETATM 1980 O HOH 463 17.126 37.987 22.824 1.00 30.29 O HETATM 1981 CAA UNN A 464 6.716 22.306 13.162 1.00 0.06 C HETATM 1982 OAT UNN A 464 6.848 22.014 14.597 1.00 -0.32 O HETATM 1983 CAY UNN A 464 6.581 23.012 15.514 1.00 0.09 C HETATM 1984 CAG UNN A 464 6.324 24.319 15.108 1.00 -0.04 C HETATM 1985 CAE UNN A 464 6.037 25.268 16.089 1.00 -0.08 C HETATM 1986 CAF UNN A 464 6.008 24.943 17.440 1.00 -0.08 C HETATM 1987 CAH UNN A 464 6.268 23.616 17.806 1.00 -0.07 C HETATM 1988 CAZ UNN A 464 6.577 22.635 16.834 1.00 0.01 C HETATM 1989 CBA UNN A 464 6.901 21.245 17.133 1.00 0.08 C HETATM 1990 CAP UNN A 464 8.451 20.957 17.264 1.00 -0.02 C HETATM 1991 CAM UNN A 464 8.713 21.368 18.683 1.00 -0.03 C HETATM 1992 CAQ UNN A 464 7.583 20.708 19.463 1.00 0.04 C HETATM 1993 NBB UNN A 464 6.445 20.865 18.544 1.00 -0.26 N HETATM 1994 C UNN A 464 5.186 20.527 18.891 1.00 0.20 C HETATM 1995 O UNN A 464 4.946 20.090 20.042 1.00 -0.39 O HETATM 1996 CA UNN A 464 4.126 20.644 17.801 1.00 0.12 C HETATM 1997 N UNN A 464 2.886 20.017 18.214 1.00 -0.25 N HETATM 1998 CAU UNN A 464 2.730 18.705 18.001 1.00 0.26 C HETATM 1999 OAC UNN A 464 3.518 18.021 17.358 1.00 -0.40 O HETATM 2000 NAS UNN A 464 1.580 18.187 18.490 1.00 -0.26 N HETATM 2001 CAO UNN A 464 1.193 16.810 18.493 1.00 0.06 C HETATM 2002 CAX UNN A 464 0.976 16.354 19.868 1.00 -0.03 C HETATM 2003 CAK UNN A 464 -0.079 15.543 20.192 1.00 -0.07 C HETATM 2004 CAI UNN A 464 -0.284 15.108 21.500 1.00 -0.05 C HETATM 2005 CAW UNN A 464 0.642 15.404 22.537 1.00 0.03 C HETATM 2006 NAB UNN A 464 0.484 14.899 23.797 1.00 -0.34 N HETATM 2007 H23 UNN A 464 1.168 15.127 24.533 1.00 0.17 H HETATM 2008 H24 UNN A 464 -0.319 14.290 24.011 1.00 0.17 H HETATM 2009 CAJ UNN A 464 1.782 16.148 22.213 1.00 -0.05 C HETATM 2010 CAL UNN A 464 1.919 16.613 20.899 1.00 -0.07 C HETATM 2011 H26 UNN A 464 2.794 17.204 20.655 1.00 0.05 H HETATM 2012 H25 UNN A 464 2.539 16.359 22.959 1.00 0.05 H HETATM 2013 H22 UNN A 464 -1.171 14.530 21.732 1.00 0.05 H HETATM 2014 H21 UNN A 464 -0.769 15.233 19.415 1.00 0.05 H HETATM 2015 H19 UNN A 464 1.988 16.207 18.030 1.00 0.07 H HETATM 2016 H20 UNN A 464 0.262 16.692 17.919 1.00 0.07 H HETATM 2017 H18 UNN A 464 0.932 18.835 18.892 1.00 0.19 H HETATM 2018 H17 UNN A 464 2.163 20.553 18.649 1.00 0.19 H HETATM 2019 H15 UNN A 464 4.492 20.151 16.889 1.00 0.08 H HETATM 2020 H16 UNN A 464 3.939 21.708 17.593 1.00 0.08 H HETATM 2021 H13 UNN A 464 7.401 21.225 20.417 1.00 0.05 H HETATM 2022 H14 UNN A 464 7.797 19.646 19.656 1.00 0.05 H HETATM 2023 H11 UNN A 464 8.675 22.462 18.788 1.00 0.03 H HETATM 2024 H12 UNN A 464 9.692 21.000 19.024 1.00 0.03 H HETATM 2025 H9 UNN A 464 9.034 21.564 16.556 1.00 0.03 H HETATM 2026 H10 UNN A 464 8.677 19.892 17.106 1.00 0.03 H HETATM 2027 H8 UNN A 464 6.442 20.600 16.369 1.00 0.07 H HETATM 2028 H7 UNN A 464 6.232 23.336 18.852 1.00 0.05 H HETATM 2029 H6 UNN A 464 5.790 25.695 18.189 1.00 0.05 H HETATM 2030 H5 UNN A 464 5.830 26.289 15.789 1.00 0.05 H HETATM 2031 H4 UNN A 464 6.346 24.591 14.059 1.00 0.05 H HETATM 2032 H1 UNN A 464 6.965 21.406 12.580 1.00 0.06 H HETATM 2033 H2 UNN A 464 7.403 23.120 12.889 1.00 0.06 H HETATM 2034 H3 UNN A 464 5.682 22.610 12.943 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1981 1982 2032 2033 2034 CONECT 1982 1981 1983 CONECT 1983 1982 1984 1988 CONECT 1984 1983 1985 2031 CONECT 1985 1984 1986 2030 CONECT 1986 1985 1987 2029 CONECT 1987 1986 1988 2028 CONECT 1988 1983 1987 1989 CONECT 1989 1988 1990 1993 2027 CONECT 1990 1989 1991 2025 2026 CONECT 1991 1990 1992 2023 2024 CONECT 1992 1991 1993 2021 2022 CONECT 1993 1989 1992 1994 CONECT 1994 1993 1995 1996 CONECT 1995 1994 CONECT 1996 1994 1997 2019 2020 CONECT 1997 1996 1998 2018 CONECT 1998 1997 1999 2000 CONECT 1999 1998 CONECT 2000 1998 2001 2017 CONECT 2001 2000 2002 2015 2016 CONECT 2002 2001 2003 2010 CONECT 2003 2002 2004 2014 CONECT 2004 2003 2005 2013 CONECT 2005 2004 2006 2009 CONECT 2006 2005 2007 2008 CONECT 2007 2006 CONECT 2008 2006 CONECT 2009 2005 2010 2012 CONECT 2010 2002 2009 2011 CONECT 2011 2010 CONECT 2012 2009 CONECT 2013 2004 CONECT 2014 2003 CONECT 2015 2001 CONECT 2016 2001 CONECT 2017 2000 CONECT 2018 1997 CONECT 2019 1996 CONECT 2020 1996 CONECT 2021 1992 CONECT 2022 1992 CONECT 2023 1991 CONECT 2024 1991 CONECT 2025 1990 CONECT 2026 1990 CONECT 2027 1989 CONECT 2028 1987 CONECT 2029 1986 CONECT 2030 1985 CONECT 2031 1984 CONECT 2032 1981 CONECT 2033 1981 CONECT 2034 1981 MASTER 0 0 0 0 0 0 0 0 2033 1 58 13 END
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Structure:
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Related entries of code: 4j5e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
4j58
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PDBbind
164aa, >4J58_1|Chain... at 100%
4j59
RCSB PDB
PDBbind
164aa, >4J59_1|Chain... at 100%
4j5b
RCSB PDB
PDBbind
164aa, >4J5B_1|Chain... at 100%
4j5c
RCSB PDB
PDBbind
164aa, >4J5C_1|Chain... at 100%
4j5d
RCSB PDB
PDBbind
164aa, >4J5D_1|Chain... at 100%
6ra1
RCSB PDB
PDBbind
164aa, >6RA1_1|Chain... at 100%
6r9x
RCSB PDB
PDBbind
164aa, >6R9X_1|Chain... at 100%
6r9u
RCSB PDB
PDBbind
164aa, >6R9U_1|Chain... at 100%
6r9s
RCSB PDB
PDBbind
164aa, >6R9S_1|Chain... at 100%
6r8w
RCSB PDB
PDBbind
164aa, >6R8W_1|Chain... at 100%
6r8o
RCSB PDB
PDBbind
164aa, >6R8O_1|Chain... at 100%
6r8l
RCSB PDB
PDBbind
164aa, >6R8L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4j5e
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
7B7
EC.Number
E.C.5.2.1.8
Resolution
0.99(Å)
Affinity (Kd/Ki/IC50)
IC50=11.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
2
1
H
2
6
N
4
O
3
Molecular Weight
382.456
Exact Mass
382.200
No. of atoms
54
No. of bonds
56
Polar Surface Area
96.69
LOGP Value
1.70 (
Computed with XLOGP3
)
3.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc(cc1)N
InChI String
InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
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