Browse entries in the PDBbind-CN Database
HEADER 4J5C_COMPLEX COMPND 4J5C_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 569 64 ATOM 1 N GLY X 44 20.811 13.038 43.137 1.00 20.00 N ATOM 2 CA GLY X 44 20.669 14.116 42.182 1.00 16.48 C ATOM 3 C GLY X 44 19.678 13.822 41.064 1.00 13.31 C ATOM 4 O GLY X 44 18.917 12.857 41.113 1.00 15.01 O ATOM 5 HN3 GLY X 44 21.144 12.183 42.646 1.00 0.00 H ATOM 6 HN2 GLY X 44 19.891 12.848 43.582 1.00 0.00 H ATOM 7 HN1 GLY X 44 21.500 13.311 43.866 1.00 0.00 H ATOM 8 N ASN X 45 19.702 14.668 40.045 1.00 11.15 N ATOM 9 CA ASN X 45 18.800 14.543 38.908 1.00 10.34 C ATOM 10 C ASN X 45 19.063 13.252 38.124 1.00 10.44 C ATOM 11 O ASN X 45 20.210 12.846 37.957 1.00 12.23 O ATOM 12 CB ASN X 45 19.021 15.713 37.959 1.00 9.40 C ATOM 13 CG ASN X 45 18.382 16.989 38.433 1.00 9.48 C ATOM 14 OD1 ASN X 45 17.405 16.989 39.173 1.00 10.10 O ATOM 15 ND2 ASN X 45 18.891 18.102 37.934 1.00 11.03 N ATOM 16 HD22 ASN X 45 19.721 18.060 37.309 1.00 0.00 H ATOM 17 HD21 ASN X 45 18.461 19.020 38.166 1.00 0.00 H ATOM 18 H ASN X 45 20.389 15.449 40.057 1.00 0.00 H ATOM 19 N PRO X 46 18.015 12.618 37.601 1.00 10.23 N ATOM 20 CA PRO X 46 18.226 11.406 36.804 1.00 10.78 C ATOM 21 C PRO X 46 19.038 11.636 35.536 1.00 8.57 C ATOM 22 O PRO X 46 18.890 12.667 34.883 1.00 9.38 O ATOM 23 CB PRO X 46 16.786 10.993 36.391 1.00 13.54 C ATOM 24 CG PRO X 46 15.890 11.681 37.303 1.00 12.93 C ATOM 25 CD PRO X 46 16.591 12.922 37.770 1.00 10.19 C ATOM 26 N LEU X 47 19.829 10.630 35.183 1.00 8.22 N ATOM 27 CA LEU X 47 20.444 10.514 33.854 1.00 7.29 C ATOM 28 C LEU X 47 19.800 9.335 33.163 1.00 6.98 C ATOM 29 O LEU X 47 19.718 8.236 33.722 1.00 7.94 O ATOM 30 CB LEU X 47 21.957 10.239 33.864 1.00 8.85 C ATOM 31 CG LEU X 47 22.890 11.309 34.400 1.00 8.51 C ATOM 32 CD1 LEU X 47 24.334 10.909 34.211 1.00 9.20 C ATOM 33 CD2 LEU X 47 22.595 12.658 33.776 1.00 10.83 C ATOM 34 H LEU X 47 20.023 9.886 35.883 1.00 0.00 H ATOM 35 N VAL X 48 19.326 9.568 31.939 1.00 6.73 N ATOM 36 CA VAL X 48 18.704 8.533 31.128 1.00 6.97 C ATOM 37 C VAL X 48 19.374 8.487 29.765 1.00 6.81 C ATOM 38 O VAL X 48 20.139 9.385 29.394 1.00 7.51 O ATOM 39 CB VAL X 48 17.175 8.740 31.000 1.00 7.35 C ATOM 40 CG1 VAL X 48 16.505 8.655 32.378 1.00 8.50 C ATOM 41 CG2 VAL X 48 16.843 10.070 30.335 1.00 7.83 C ATOM 42 H VAL X 48 19.404 10.529 31.548 1.00 0.00 H ATOM 43 N TYR X 49 19.103 7.430 29.012 1.00 7.69 N ATOM 44 CA TYR X 49 19.689 7.257 27.695 1.00 8.11 C ATOM 45 C TYR X 49 18.664 6.826 26.665 1.00 7.48 C ATOM 46 O TYR X 49 17.673 6.165 26.984 1.00 7.84 O ATOM 47 CB TYR X 49 20.842 6.233 27.711 1.00 9.08 C ATOM 48 CG TYR X 49 20.449 4.803 28.058 1.00 9.09 C ATOM 49 CD1 TYR X 49 20.179 3.864 27.062 1.00 9.44 C ATOM 50 CD2 TYR X 49 20.359 4.387 29.377 1.00 9.14 C ATOM 51 CE1 TYR X 49 19.820 2.559 27.379 1.00 9.49 C ATOM 52 CE2 TYR X 49 20.008 3.088 29.710 1.00 9.48 C ATOM 53 CZ TYR X 49 19.740 2.178 28.705 1.00 9.49 C ATOM 54 OH TYR X 49 19.389 0.876 29.011 1.00 11.37 O ATOM 55 HH TYR X 49 19.235 0.371 28.173 1.00 0.00 H ATOM 56 H TYR X 49 18.452 6.704 29.375 1.00 0.00 H ATOM 57 N LEU X 50 18.960 7.189 25.417 1.00 7.45 N ATOM 58 CA LEU X 50 18.286 6.688 24.226 1.00 7.92 C ATOM 59 C LEU X 50 19.374 6.147 23.286 1.00 8.03 C ATOM 60 O LEU X 50 20.288 6.879 22.907 1.00 9.07 O ATOM 61 CB LEU X 50 17.573 7.829 23.466 1.00 8.39 C ATOM 62 CG LEU X 50 16.643 8.733 24.267 1.00 8.59 C ATOM 63 CD1 LEU X 50 16.129 9.866 23.404 1.00 10.17 C ATOM 64 CD2 LEU X 50 15.498 7.958 24.903 1.00 9.63 C ATOM 65 H LEU X 50 19.727 7.879 25.284 1.00 0.00 H ATOM 66 N ASP X 51 19.266 4.877 22.896 1.00 8.44 N ATOM 67 CA ASP X 51 20.103 4.309 21.833 1.00 8.93 C ATOM 68 C ASP X 51 19.309 4.372 20.546 1.00 9.01 C ATOM 69 O ASP X 51 18.177 3.881 20.493 1.00 10.16 O ATOM 70 CB ASP X 51 20.481 2.857 22.157 1.00 10.45 C ATOM 71 CG ASP X 51 21.489 2.760 23.285 1.00 11.11 C ATOM 72 OD1 ASP X 51 22.322 3.679 23.436 1.00 10.00 O ATOM 73 OD2 ASP X 51 21.457 1.762 24.025 1.00 12.99 O ATOM 74 H ASP X 51 18.564 4.267 23.361 1.00 0.00 H ATOM 75 N VAL X 52 19.883 4.999 19.516 1.00 9.60 N ATOM 76 CA VAL X 52 19.145 5.329 18.304 1.00 9.81 C ATOM 77 C VAL X 52 19.788 4.677 17.087 1.00 10.35 C ATOM 78 O VAL X 52 21.005 4.758 16.910 1.00 11.95 O ATOM 79 CB VAL X 52 19.065 6.868 18.116 1.00 10.63 C ATOM 80 CG1 VAL X 52 18.189 7.214 16.924 1.00 12.04 C ATOM 81 CG2 VAL X 52 18.517 7.550 19.379 1.00 11.61 C ATOM 82 H VAL X 52 20.888 5.260 19.581 1.00 0.00 H ATOM 83 N ASP X 53 18.945 4.066 16.245 1.00 10.72 N ATOM 84 CA ASP X 53 19.341 3.498 14.946 1.00 11.46 C ATOM 85 C ASP X 53 18.795 4.368 13.809 1.00 11.41 C ATOM 86 O ASP X 53 17.746 5.015 13.953 1.00 12.98 O ATOM 87 CB ASP X 53 18.632 2.143 14.711 1.00 12.81 C ATOM 88 CG ASP X 53 19.397 0.910 15.135 1.00 14.88 C ATOM 89 OD1 ASP X 53 18.913 -0.181 14.736 1.00 16.63 O ATOM 90 OD2 ASP X 53 20.399 0.984 15.858 1.00 15.19 O ATOM 91 H ASP X 53 17.947 3.988 16.527 1.00 0.00 H ATOM 92 N ALA X 54 19.457 4.331 12.654 1.00 11.58 N ATOM 93 CA ALA X 54 18.919 4.896 11.412 1.00 12.50 C ATOM 94 C ALA X 54 18.969 3.787 10.371 1.00 13.29 C ATOM 95 O ALA X 54 20.041 3.248 10.080 1.00 14.26 O ATOM 96 CB ALA X 54 19.730 6.108 10.948 1.00 14.78 C ATOM 97 H ALA X 54 20.395 3.883 12.632 1.00 0.00 H ATOM 98 N ASN X 55 17.810 3.446 9.822 1.00 13.75 N ATOM 99 CA ASN X 55 17.713 2.339 8.892 1.00 15.33 C ATOM 100 C ASN X 55 18.401 1.090 9.448 1.00 15.66 C ATOM 101 O ASN X 55 19.080 0.360 8.710 1.00 18.85 O ATOM 102 CB ASN X 55 18.311 2.724 7.533 1.00 16.22 C ATOM 103 CG ASN X 55 17.446 3.712 6.762 1.00 15.97 C ATOM 104 OD1 ASN X 55 16.251 3.869 7.036 1.00 15.73 O ATOM 105 ND2 ASN X 55 18.047 4.374 5.781 1.00 16.05 N ATOM 106 HD22 ASN X 55 19.055 4.211 5.585 1.00 0.00 H ATOM 107 HD21 ASN X 55 17.510 5.056 5.208 1.00 0.00 H ATOM 108 H ASN X 55 16.954 3.984 10.064 1.00 0.00 H ATOM 109 N GLY X 56 18.214 0.862 10.747 1.00 14.74 N ATOM 110 CA GLY X 56 18.646 -0.352 11.405 1.00 15.27 C ATOM 111 C GLY X 56 20.104 -0.398 11.809 1.00 16.02 C ATOM 112 O GLY X 56 20.569 -1.408 12.345 1.00 19.73 O ATOM 113 H GLY X 56 17.735 1.590 11.314 1.00 0.00 H ATOM 114 N LYS X 57 20.837 0.673 11.531 1.00 15.18 N ATOM 115 CA LYS X 57 22.240 0.757 11.905 1.00 15.44 C ATOM 116 C LYS X 57 22.394 1.682 13.107 1.00 13.24 C ATOM 117 O LYS X 57 21.872 2.803 13.112 1.00 13.30 O ATOM 118 CB LYS X 57 23.050 1.297 10.729 1.00 17.56 C ATOM 119 CG LYS X 57 24.547 1.350 10.943 1.00 19.23 C ATOM 120 CD LYS X 57 25.255 1.673 9.632 1.00 20.94 C ATOM 121 CE LYS X 57 26.749 1.887 9.801 1.00 21.93 C ATOM 122 NZ LYS X 57 27.066 3.178 10.445 1.00 22.76 N ATOM 123 HZ1 LYS X 57 26.694 3.955 9.862 1.00 0.00 H ATOM 124 HZ2 LYS X 57 26.629 3.210 11.388 1.00 0.00 H ATOM 125 HZ3 LYS X 57 28.097 3.274 10.537 1.00 0.00 H ATOM 126 H LYS X 57 20.397 1.473 11.033 1.00 0.00 H ATOM 127 N PRO X 58 23.112 1.226 14.137 1.00 12.81 N ATOM 128 CA PRO X 58 23.221 2.063 15.341 1.00 11.82 C ATOM 129 C PRO X 58 23.998 3.349 15.097 1.00 11.15 C ATOM 130 O PRO X 58 25.067 3.322 14.485 1.00 12.61 O ATOM 131 CB PRO X 58 23.960 1.146 16.331 1.00 13.21 C ATOM 132 CG PRO X 58 24.712 0.161 15.462 1.00 16.07 C ATOM 133 CD PRO X 58 23.818 -0.061 14.280 1.00 15.80 C ATOM 134 N LEU X 59 23.443 4.460 15.584 1.00 10.32 N ATOM 135 CA LEU X 59 24.113 5.754 15.551 1.00 10.80 C ATOM 136 C LEU X 59 24.901 6.037 16.816 1.00 10.65 C ATOM 137 O LEU X 59 25.815 6.866 16.806 1.00 12.79 O ATOM 138 CB LEU X 59 23.095 6.879 15.381 1.00 10.79 C ATOM 139 CG LEU X 59 22.250 6.855 14.120 1.00 12.25 C ATOM 140 CD1 LEU X 59 21.294 8.024 14.164 1.00 12.03 C ATOM 141 CD2 LEU X 59 23.110 6.924 12.888 1.00 15.50 C ATOM 142 H LEU X 59 22.494 4.400 16.004 1.00 0.00 H ATOM 143 N GLY X 60 24.519 5.392 17.913 1.00 10.52 N ATOM 144 CA GLY X 60 25.087 5.683 19.207 1.00 10.32 C ATOM 145 C GLY X 60 24.010 6.045 20.224 1.00 9.24 C ATOM 146 O GLY X 60 22.817 5.761 20.047 1.00 10.86 O ATOM 147 H GLY X 60 23.789 4.655 17.837 1.00 0.00 H ATOM 148 N ARG X 61 24.468 6.663 21.300 1.00 9.36 N ATOM 149 CA ARG X 61 23.665 6.906 22.489 1.00 8.85 C ATOM 150 C ARG X 61 23.548 8.400 22.768 1.00 8.50 C ATOM 151 O ARG X 61 24.538 9.136 22.715 1.00 9.93 O ATOM 152 CB ARG X 61 24.340 6.211 23.677 1.00 9.41 C ATOM 153 CG ARG X 61 23.620 6.446 25.005 1.00 8.99 C ATOM 154 CD ARG X 61 24.106 5.521 26.110 1.00 8.57 C ATOM 155 NE ARG X 61 23.645 4.170 25.865 1.00 9.19 N ATOM 156 CZ ARG X 61 23.719 3.185 26.749 1.00 10.56 C ATOM 157 NH1 ARG X 61 24.298 3.384 27.924 1.00 12.65 N ATOM 158 NH2 ARG X 61 23.223 1.994 26.445 1.00 11.69 N ATOM 159 HE ARG X 61 23.229 3.959 24.935 1.00 0.00 H ATOM 160 HH12 ARG X 61 24.354 2.608 28.614 1.00 0.00 H ATOM 161 HH11 ARG X 61 24.697 4.316 28.156 1.00 0.00 H ATOM 162 HH22 ARG X 61 23.278 1.217 27.134 1.00 0.00 H ATOM 163 HH21 ARG X 61 22.779 1.837 25.518 1.00 0.00 H ATOM 164 H ARG X 61 25.454 6.993 21.296 1.00 0.00 H ATOM 165 N VAL X 62 22.334 8.835 23.088 1.00 7.97 N ATOM 166 CA VAL X 62 22.091 10.173 23.605 1.00 7.89 C ATOM 167 C VAL X 62 21.823 10.054 25.102 1.00 7.53 C ATOM 168 O VAL X 62 20.918 9.309 25.504 1.00 8.74 O ATOM 169 CB VAL X 62 20.889 10.840 22.894 1.00 8.49 C ATOM 170 CG1 VAL X 62 20.688 12.257 23.426 1.00 9.39 C ATOM 171 CG2 VAL X 62 21.090 10.866 21.392 1.00 10.01 C ATOM 172 H VAL X 62 21.525 8.193 22.964 1.00 0.00 H ATOM 173 N VAL X 63 22.605 10.753 25.918 1.00 7.13 N ATOM 174 CA VAL X 63 22.413 10.753 27.362 1.00 6.86 C ATOM 175 C VAL X 63 21.813 12.094 27.743 1.00 6.69 C ATOM 176 O VAL X 63 22.314 13.143 27.314 1.00 7.21 O ATOM 177 CB VAL X 63 23.731 10.523 28.113 1.00 7.72 C ATOM 178 CG1 VAL X 63 23.496 10.578 29.620 1.00 8.07 C ATOM 179 CG2 VAL X 63 24.333 9.174 27.704 1.00 9.17 C ATOM 180 H VAL X 63 23.379 11.318 25.513 1.00 0.00 H ATOM 181 N LEU X 64 20.757 12.047 28.549 1.00 6.60 N ATOM 182 CA LEU X 64 19.965 13.218 28.935 1.00 6.94 C ATOM 183 C LEU X 64 19.937 13.352 30.454 1.00 6.63 C ATOM 184 O LEU X 64 19.700 12.366 31.155 1.00 7.57 O ATOM 185 CB LEU X 64 18.530 13.074 28.415 1.00 7.21 C ATOM 186 CG LEU X 64 18.407 12.945 26.894 1.00 8.11 C ATOM 187 CD1 LEU X 64 17.056 12.321 26.494 1.00 9.10 C ATOM 188 CD2 LEU X 64 18.587 14.276 26.212 1.00 8.89 C ATOM 189 H LEU X 64 20.475 11.121 28.930 1.00 0.00 H ATOM 190 N GLU X 65 20.173 14.571 30.948 1.00 6.39 N ATOM 191 CA GLU X 65 19.900 14.911 32.338 1.00 6.66 C ATOM 192 C GLU X 65 18.477 15.447 32.419 1.00 6.93 C ATOM 193 O GLU X 65 18.110 16.342 31.648 1.00 8.47 O ATOM 194 CB GLU X 65 20.876 15.980 32.848 1.00 7.73 C ATOM 195 CG GLU X 65 20.524 16.469 34.259 1.00 9.64 C ATOM 196 CD GLU X 65 21.476 17.471 34.870 1.00 11.52 C ATOM 197 OE1 GLU X 65 22.546 17.752 34.320 1.00 12.02 O ATOM 198 OE2 GLU X 65 21.151 17.941 35.984 1.00 12.02 O ATOM 199 H GLU X 65 20.565 15.301 30.319 1.00 0.00 H ATOM 200 N LEU X 66 17.702 14.916 33.351 1.00 6.81 N ATOM 201 CA LEU X 66 16.334 15.361 33.586 1.00 7.18 C ATOM 202 C LEU X 66 16.310 16.252 34.817 1.00 7.31 C ATOM 203 O LEU X 66 16.732 15.837 35.906 1.00 8.39 O ATOM 204 CB LEU X 66 15.398 14.159 33.762 1.00 7.61 C ATOM 205 CG LEU X 66 15.514 13.078 32.697 1.00 7.59 C ATOM 206 CD1 LEU X 66 14.539 11.950 32.989 1.00 8.37 C ATOM 207 CD2 LEU X 66 15.321 13.635 31.289 1.00 7.70 C ATOM 208 H LEU X 66 18.085 14.149 33.940 1.00 0.00 H ATOM 209 N LYS X 67 15.819 17.476 34.664 1.00 7.20 N ATOM 210 CA LYS X 67 15.912 18.493 35.707 1.00 7.92 C ATOM 211 C LYS X 67 14.759 18.358 36.694 1.00 7.44 C ATOM 212 O LYS X 67 13.893 19.227 36.824 1.00 8.70 O ATOM 213 CB LYS X 67 16.024 19.875 35.063 1.00 9.89 C ATOM 214 CG LYS X 67 17.474 19.967 34.451 1.00 11.86 C ATOM 215 CD LYS X 67 17.766 21.098 33.471 1.00 11.23 C ATOM 216 CE LYS X 67 19.202 21.071 32.969 1.00 11.08 C ATOM 217 NZ LYS X 67 19.310 22.079 31.895 1.00 10.87 N ATOM 218 HZ1 LYS X 67 18.650 21.839 31.128 1.00 0.00 H ATOM 219 HZ2 LYS X 67 19.073 23.017 32.277 1.00 0.00 H ATOM 220 HZ3 LYS X 67 20.283 22.088 31.527 1.00 0.00 H ATOM 221 H LYS X 67 15.351 17.719 33.768 1.00 0.00 H ATOM 222 N ALA X 68 14.784 17.258 37.432 1.00 7.63 N ATOM 223 CA ALA X 68 13.750 16.937 38.407 1.00 8.03 C ATOM 224 C ALA X 68 13.712 17.943 39.554 1.00 8.32 C ATOM 225 O ALA X 68 12.674 18.095 40.193 1.00 9.68 O ATOM 226 CB ALA X 68 13.954 15.539 38.944 1.00 8.94 C ATOM 227 H ALA X 68 15.576 16.595 37.310 1.00 0.00 H ATOM 228 N ASP X 69 14.824 18.641 39.801 1.00 9.35 N ATOM 229 CA ASP X 69 14.856 19.696 40.796 1.00 11.00 C ATOM 230 C ASP X 69 13.941 20.864 40.451 1.00 11.58 C ATOM 231 O ASP X 69 13.478 21.560 41.354 1.00 14.65 O ATOM 232 CB ASP X 69 16.297 20.148 41.089 1.00 12.51 C ATOM 233 CG ASP X 69 17.125 20.526 39.864 1.00 13.66 C ATOM 234 OD1 ASP X 69 16.799 20.224 38.708 1.00 12.39 O ATOM 235 OD2 ASP X 69 18.212 21.102 40.103 1.00 19.48 O ATOM 236 H ASP X 69 15.689 18.422 39.266 1.00 0.00 H ATOM 237 N VAL X 70 13.687 21.074 39.161 1.00 8.93 N ATOM 238 CA VAL X 70 12.867 22.176 38.662 1.00 8.93 C ATOM 239 C VAL X 70 11.470 21.721 38.227 1.00 7.51 C ATOM 240 O VAL X 70 10.479 22.415 38.463 1.00 8.33 O ATOM 241 CB VAL X 70 13.583 22.861 37.440 1.00 8.85 C ATOM 242 CG1 VAL X 70 12.769 24.024 36.920 1.00 9.77 C ATOM 243 CG2 VAL X 70 14.975 23.320 37.821 1.00 11.57 C ATOM 244 H VAL X 70 14.096 20.415 38.468 1.00 0.00 H ATOM 245 N VAL X 71 11.414 20.580 37.542 1.00 7.03 N ATOM 246 CA VAL X 71 10.187 20.045 36.954 1.00 6.94 C ATOM 247 C VAL X 71 10.071 18.564 37.325 1.00 6.72 C ATOM 248 O VAL X 71 10.241 17.674 36.487 1.00 6.97 O ATOM 249 CB VAL X 71 10.087 20.280 35.428 1.00 7.53 C ATOM 250 CG1 VAL X 71 9.576 21.692 35.139 1.00 8.48 C ATOM 251 CG2 VAL X 71 11.390 20.018 34.713 1.00 8.72 C ATOM 252 H VAL X 71 12.293 20.039 37.418 1.00 0.00 H ATOM 253 N PRO X 72 9.796 18.273 38.601 1.00 7.20 N ATOM 254 CA PRO X 72 9.819 16.868 39.033 1.00 7.35 C ATOM 255 C PRO X 72 8.792 15.995 38.326 1.00 7.25 C ATOM 256 O PRO X 72 9.092 14.827 38.044 1.00 7.29 O ATOM 257 CB PRO X 72 9.553 16.953 40.548 1.00 8.84 C ATOM 258 CG PRO X 72 8.927 18.302 40.748 1.00 9.08 C ATOM 259 CD PRO X 72 9.589 19.195 39.732 1.00 7.97 C ATOM 260 N LYS X 73 7.594 16.507 38.068 1.00 7.12 N ATOM 261 CA LYS X 73 6.550 15.656 37.482 1.00 7.44 C ATOM 262 C LYS X 73 6.875 15.333 36.023 1.00 6.81 C ATOM 263 O LYS X 73 6.640 14.214 35.540 1.00 7.21 O ATOM 264 CB LYS X 73 5.179 16.333 37.589 1.00 8.34 C ATOM 265 CG LYS X 73 4.740 16.568 39.043 1.00 9.99 C ATOM 266 CD LYS X 73 3.528 17.490 39.138 1.00 11.83 C ATOM 267 CE LYS X 73 3.028 17.660 40.571 1.00 11.80 C ATOM 268 NZ LYS X 73 4.058 18.249 41.470 1.00 11.15 N ATOM 269 HZ1 LYS X 73 4.892 17.628 41.493 1.00 0.00 H ATOM 270 HZ2 LYS X 73 4.332 19.187 41.113 1.00 0.00 H ATOM 271 HZ3 LYS X 73 3.667 18.342 42.429 1.00 0.00 H ATOM 272 H LYS X 73 7.396 17.506 38.280 1.00 0.00 H ATOM 273 N THR X 74 7.397 16.323 35.317 1.00 6.53 N ATOM 274 CA THR X 74 7.730 16.152 33.909 1.00 6.46 C ATOM 275 C THR X 74 8.959 15.237 33.775 1.00 6.31 C ATOM 276 O THR X 74 9.021 14.352 32.913 1.00 6.79 O ATOM 277 CB THR X 74 7.973 17.529 33.264 1.00 6.60 C ATOM 278 OG1 THR X 74 6.837 18.378 33.493 1.00 7.26 O ATOM 279 CG2 THR X 74 8.177 17.432 31.767 1.00 7.18 C ATOM 280 HG1 THR X 74 6.702 18.491 34.467 1.00 0.00 H ATOM 281 H THR X 74 7.573 17.240 35.776 1.00 0.00 H ATOM 282 N ALA X 75 9.953 15.446 34.635 1.00 6.44 N ATOM 283 CA ALA X 75 11.126 14.579 34.651 1.00 6.79 C ATOM 284 C ALA X 75 10.740 13.134 34.965 1.00 6.69 C ATOM 285 O ALA X 75 11.253 12.212 34.321 1.00 7.00 O ATOM 286 CB ALA X 75 12.146 15.090 35.664 1.00 7.42 C ATOM 287 H ALA X 75 9.893 16.239 35.305 1.00 0.00 H ATOM 288 N GLU X 76 9.858 12.929 35.943 1.00 6.79 N ATOM 289 CA GLU X 76 9.508 11.567 36.349 1.00 7.18 C ATOM 290 C GLU X 76 8.795 10.836 35.214 1.00 6.86 C ATOM 291 O GLU X 76 9.026 9.649 34.992 1.00 7.28 O ATOM 292 CB GLU X 76 8.643 11.595 37.603 1.00 7.92 C ATOM 293 CG GLU X 76 8.070 10.252 38.013 1.00 9.02 C ATOM 294 CD GLU X 76 9.082 9.171 38.296 1.00 8.78 C ATOM 295 OE1 GLU X 76 10.285 9.473 38.498 1.00 8.87 O ATOM 296 OE2 GLU X 76 8.657 7.995 38.321 1.00 11.61 O ATOM 297 H GLU X 76 9.416 13.741 36.420 1.00 0.00 H ATOM 298 N ASN X 77 7.894 11.529 34.509 1.00 6.64 N ATOM 299 CA ASN X 77 7.235 10.931 33.363 1.00 6.47 C ATOM 300 C ASN X 77 8.266 10.417 32.359 1.00 6.35 C ATOM 301 O ASN X 77 8.217 9.258 31.924 1.00 6.97 O ATOM 302 CB ASN X 77 6.307 11.971 32.727 1.00 6.96 C ATOM 303 CG ASN X 77 5.588 11.437 31.513 1.00 6.97 C ATOM 304 OD1 ASN X 77 4.839 10.448 31.599 1.00 8.33 O ATOM 305 ND2 ASN X 77 5.787 12.087 30.378 1.00 7.11 N ATOM 306 HD22 ASN X 77 6.423 12.910 30.354 1.00 0.00 H ATOM 307 HD21 ASN X 77 5.307 11.775 29.509 1.00 0.00 H ATOM 308 H ASN X 77 7.664 12.505 34.785 1.00 0.00 H ATOM 309 N PHE X 78 9.193 11.281 31.958 1.00 6.29 N ATOM 310 CA PHE X 78 10.163 10.887 30.946 1.00 6.40 C ATOM 311 C PHE X 78 11.043 9.733 31.437 1.00 6.16 C ATOM 312 O PHE X 78 11.314 8.789 30.696 1.00 6.81 O ATOM 313 CB PHE X 78 11.007 12.100 30.540 1.00 6.80 C ATOM 314 CG PHE X 78 11.834 11.882 29.297 1.00 6.47 C ATOM 315 CD1 PHE X 78 11.331 12.204 28.054 1.00 7.21 C ATOM 316 CD2 PHE X 78 13.115 11.380 29.365 1.00 7.10 C ATOM 317 CE1 PHE X 78 12.102 12.023 26.911 1.00 7.90 C ATOM 318 CE2 PHE X 78 13.885 11.211 28.233 1.00 7.87 C ATOM 319 CZ PHE X 78 13.376 11.530 27.003 1.00 7.90 C ATOM 320 H PHE X 78 9.225 12.237 32.366 1.00 0.00 H ATOM 321 N ARG X 79 11.490 9.821 32.690 1.00 6.38 N ATOM 322 CA ARG X 79 12.318 8.776 33.278 1.00 6.78 C ATOM 323 C ARG X 79 11.622 7.416 33.187 1.00 6.56 C ATOM 324 O ARG X 79 12.214 6.419 32.725 1.00 7.16 O ATOM 325 CB ARG X 79 12.609 9.108 34.749 1.00 6.91 C ATOM 326 CG ARG X 79 13.582 8.142 35.411 1.00 7.44 C ATOM 327 CD ARG X 79 13.471 8.166 36.945 1.00 7.30 C ATOM 328 NE ARG X 79 12.173 7.651 37.394 1.00 7.16 N ATOM 329 CZ ARG X 79 11.814 6.373 37.378 1.00 7.60 C ATOM 330 NH1 ARG X 79 12.676 5.426 37.026 1.00 8.32 N ATOM 331 NH2 ARG X 79 10.569 6.042 37.704 1.00 8.67 N ATOM 332 HE ARG X 79 11.481 8.340 37.752 1.00 0.00 H ATOM 333 HH12 ARG X 79 12.379 4.429 37.019 1.00 0.00 H ATOM 334 HH11 ARG X 79 13.648 5.681 36.758 1.00 0.00 H ATOM 335 HH22 ARG X 79 10.277 5.044 37.695 1.00 0.00 H ATOM 336 HH21 ARG X 79 9.887 6.781 37.968 1.00 0.00 H ATOM 337 H ARG X 79 11.242 10.654 33.261 1.00 0.00 H ATOM 338 N ALA X 80 10.376 7.355 33.643 1.00 6.49 N ATOM 339 CA ALA X 80 9.640 6.098 33.642 1.00 7.11 C ATOM 340 C ALA X 80 9.343 5.596 32.224 1.00 7.01 C ATOM 341 O ALA X 80 9.292 4.378 31.998 1.00 7.88 O ATOM 342 CB ALA X 80 8.372 6.261 34.456 1.00 7.66 C ATOM 343 H ALA X 80 9.920 8.216 34.006 1.00 0.00 H ATOM 344 N LEU X 81 9.129 6.500 31.270 1.00 6.86 N ATOM 345 CA LEU X 81 8.921 6.071 29.894 1.00 7.02 C ATOM 346 C LEU X 81 10.221 5.525 29.277 1.00 6.91 C ATOM 347 O LEU X 81 10.170 4.662 28.398 1.00 7.75 O ATOM 348 CB LEU X 81 8.337 7.214 29.062 1.00 7.12 C ATOM 349 CG LEU X 81 6.921 7.655 29.467 1.00 7.30 C ATOM 350 CD1 LEU X 81 6.535 8.908 28.706 1.00 8.01 C ATOM 351 CD2 LEU X 81 5.891 6.543 29.255 1.00 8.94 C ATOM 352 H LEU X 81 9.110 7.512 31.508 1.00 0.00 H ATOM 353 N CYS X 82 11.375 5.999 29.744 1.00 7.00 N ATOM 354 CA CYS X 82 12.649 5.417 29.323 1.00 7.26 C ATOM 355 C CYS X 82 12.852 4.022 29.915 1.00 7.62 C ATOM 356 O CYS X 82 13.331 3.127 29.208 1.00 8.55 O ATOM 357 CB CYS X 82 13.825 6.312 29.722 1.00 7.63 C ATOM 358 SG CYS X 82 13.979 7.821 28.749 1.00 7.82 S ATOM 359 H CYS X 82 11.370 6.793 30.416 1.00 0.00 H ATOM 360 N THR X 83 12.544 3.824 31.198 1.00 7.95 N ATOM 361 CA THR X 83 12.766 2.496 31.765 1.00 8.47 C ATOM 362 C THR X 83 11.714 1.502 31.290 1.00 8.92 C ATOM 363 O THR X 83 11.969 0.304 31.304 1.00 11.00 O ATOM 364 CB THR X 83 12.763 2.497 33.285 1.00 8.78 C ATOM 365 OG1 THR X 83 11.441 2.810 33.711 1.00 9.25 O ATOM 366 CG2 THR X 83 13.788 3.444 33.872 1.00 9.48 C ATOM 367 HG1 THR X 83 11.408 2.818 34.700 1.00 0.00 H ATOM 368 H THR X 83 12.156 4.595 31.779 1.00 0.00 H ATOM 369 N GLY X 84 10.532 1.983 30.904 1.00 8.55 N ATOM 370 CA GLY X 84 9.427 1.102 30.566 1.00 9.43 C ATOM 371 C GLY X 84 8.737 0.468 31.752 1.00 9.97 C ATOM 372 O GLY X 84 7.922 -0.440 31.563 1.00 10.85 O ATOM 373 H GLY X 84 10.398 3.013 30.843 1.00 0.00 H ATOM 374 N GLU X 85 9.021 0.942 32.960 1.00 9.90 N ATOM 375 CA GLU X 85 8.586 0.257 34.171 1.00 10.74 C ATOM 376 C GLU X 85 7.069 0.214 34.377 1.00 11.29 C ATOM 377 O GLU X 85 6.607 -0.622 35.139 1.00 13.12 O ATOM 378 CB GLU X 85 9.278 0.852 35.390 1.00 11.78 C ATOM 379 CG GLU X 85 8.927 2.292 35.686 1.00 11.68 C ATOM 380 CD GLU X 85 9.908 2.918 36.687 1.00 12.20 C ATOM 381 OE1 GLU X 85 11.122 3.029 36.365 1.00 11.88 O ATOM 382 OE2 GLU X 85 9.476 3.279 37.814 1.00 12.37 O ATOM 383 H GLU X 85 9.567 1.823 33.044 1.00 0.00 H ATOM 384 N LYS X 86 6.305 1.074 33.704 1.00 11.31 N ATOM 385 CA LYS X 86 4.842 1.024 33.792 1.00 12.43 C ATOM 386 C LYS X 86 4.237 0.080 32.751 1.00 12.90 C ATOM 387 O LYS X 86 3.021 -0.089 32.709 1.00 15.67 O ATOM 388 CB LYS X 86 4.223 2.415 33.622 1.00 13.93 C ATOM 389 CG LYS X 86 4.867 3.528 34.454 1.00 14.36 C ATOM 390 CD LYS X 86 4.790 3.284 35.946 1.00 14.11 C ATOM 391 CE LYS X 86 5.258 4.525 36.697 1.00 15.58 C ATOM 392 NZ LYS X 86 5.216 4.346 38.170 1.00 16.78 N ATOM 393 HZ1 LYS X 86 4.240 4.141 38.465 1.00 0.00 H ATOM 394 HZ2 LYS X 86 5.835 3.555 38.440 1.00 0.00 H ATOM 395 HZ3 LYS X 86 5.544 5.218 38.633 1.00 0.00 H ATOM 396 H LYS X 86 6.755 1.795 33.105 1.00 0.00 H ATOM 397 N GLY X 87 5.067 -0.526 31.910 1.00 12.52 N ATOM 398 CA GLY X 87 4.580 -1.450 30.900 1.00 13.20 C ATOM 399 C GLY X 87 4.466 -0.864 29.504 1.00 12.51 C ATOM 400 O GLY X 87 3.968 -1.534 28.598 1.00 14.84 O ATOM 401 H GLY X 87 6.087 -0.335 31.976 1.00 0.00 H ATOM 402 N PHE X 88 4.902 0.380 29.332 1.00 11.06 N ATOM 403 CA PHE X 88 4.895 1.059 28.047 1.00 10.44 C ATOM 404 C PHE X 88 5.973 2.136 28.102 1.00 9.54 C ATOM 405 O PHE X 88 6.476 2.474 29.183 1.00 9.86 O ATOM 406 CB PHE X 88 3.515 1.662 27.730 1.00 11.08 C ATOM 407 CG PHE X 88 2.951 2.536 28.824 1.00 9.92 C ATOM 408 CD1 PHE X 88 3.286 3.883 28.922 1.00 10.34 C ATOM 409 CD2 PHE X 88 2.057 2.018 29.750 1.00 12.02 C ATOM 410 CE1 PHE X 88 2.739 4.683 29.921 1.00 11.64 C ATOM 411 CE2 PHE X 88 1.518 2.815 30.742 1.00 13.15 C ATOM 412 CZ PHE X 88 1.857 4.146 30.828 1.00 13.20 C ATOM 413 H PHE X 88 5.267 0.894 30.159 1.00 0.00 H ATOM 414 N GLY X 89 6.329 2.678 26.947 1.00 9.40 N ATOM 415 CA GLY X 89 7.364 3.684 26.901 1.00 9.60 C ATOM 416 C GLY X 89 8.017 3.794 25.552 1.00 8.70 C ATOM 417 O GLY X 89 7.490 3.338 24.537 1.00 9.35 O ATOM 418 H GLY X 89 5.861 2.377 26.068 1.00 0.00 H ATOM 419 N TYR X 90 9.190 4.426 25.545 1.00 8.40 N ATOM 420 CA TYR X 90 9.812 4.844 24.297 1.00 8.68 C ATOM 421 C TYR X 90 10.477 3.727 23.512 1.00 9.15 C ATOM 422 O TYR X 90 10.724 3.902 22.319 1.00 10.55 O ATOM 423 CB TYR X 90 10.842 5.940 24.559 1.00 8.47 C ATOM 424 CG TYR X 90 10.268 7.222 25.125 1.00 7.95 C ATOM 425 CD1 TYR X 90 9.180 7.846 24.527 1.00 8.14 C ATOM 426 CD2 TYR X 90 10.814 7.815 26.248 1.00 7.86 C ATOM 427 CE1 TYR X 90 8.660 9.021 25.035 1.00 8.00 C ATOM 428 CE2 TYR X 90 10.317 9.001 26.761 1.00 7.87 C ATOM 429 CZ TYR X 90 9.242 9.606 26.155 1.00 7.44 C ATOM 430 OH TYR X 90 8.758 10.775 26.685 1.00 8.00 O ATOM 431 HH TYR X 90 7.990 11.088 26.145 1.00 0.00 H ATOM 432 H TYR X 90 9.669 4.624 26.446 1.00 0.00 H ATOM 433 N LYS X 91 10.795 2.601 24.135 1.00 9.03 N ATOM 434 CA LYS X 91 11.523 1.559 23.419 1.00 9.77 C ATOM 435 C LYS X 91 10.766 1.166 22.152 1.00 10.62 C ATOM 436 O LYS X 91 9.580 0.823 22.207 1.00 11.87 O ATOM 437 CB LYS X 91 11.737 0.349 24.321 1.00 11.18 C ATOM 438 CG LYS X 91 12.439 -0.814 23.646 1.00 13.19 C ATOM 439 CD LYS X 91 12.589 -1.990 24.587 1.00 14.81 C ATOM 440 CE LYS X 91 12.904 -3.257 23.813 1.00 17.24 C ATOM 441 NZ LYS X 91 13.196 -4.424 24.688 1.00 17.37 N ATOM 442 HZ1 LYS X 91 14.019 -4.209 25.287 1.00 0.00 H ATOM 443 HZ2 LYS X 91 12.370 -4.620 25.289 1.00 0.00 H ATOM 444 HZ3 LYS X 91 13.403 -5.255 24.098 1.00 0.00 H ATOM 445 H LYS X 91 10.527 2.461 25.130 1.00 0.00 H ATOM 446 N GLY X 92 11.467 1.194 21.022 1.00 11.42 N ATOM 447 CA GLY X 92 10.911 0.790 19.744 1.00 13.64 C ATOM 448 C GLY X 92 10.243 1.894 18.960 1.00 14.63 C ATOM 449 O GLY X 92 9.860 1.685 17.814 1.00 17.78 O ATOM 450 H GLY X 92 12.454 1.519 21.056 1.00 0.00 H ATOM 451 N SER X 93 10.084 3.066 19.549 1.00 13.91 N ATOM 452 CA SER X 93 9.407 4.163 18.865 1.00 14.17 C ATOM 453 C SER X 93 10.384 5.027 18.055 1.00 12.06 C ATOM 454 O SER X 93 11.579 4.784 18.066 1.00 14.09 O ATOM 455 CB SER X 93 8.588 4.996 19.849 1.00 14.85 C ATOM 456 OG SER X 93 9.399 5.691 20.769 1.00 14.81 O ATOM 457 HG SER X 93 8.825 6.214 21.383 1.00 0.00 H ATOM 458 H SER X 93 10.446 3.209 20.513 1.00 0.00 H ATOM 459 N THR X 94 9.866 6.011 17.324 1.00 11.42 N ATOM 460 CA THR X 94 10.646 6.690 16.285 1.00 11.70 C ATOM 461 C THR X 94 10.797 8.194 16.534 1.00 11.03 C ATOM 462 O THR X 94 10.030 8.799 17.294 1.00 11.60 O ATOM 463 CB THR X 94 9.995 6.530 14.904 1.00 13.18 C ATOM 464 OG1 THR X 94 8.770 7.267 14.883 1.00 14.58 O ATOM 465 CG2 THR X 94 9.729 5.073 14.581 1.00 14.64 C ATOM 466 HG1 THR X 94 8.343 7.169 13.995 1.00 0.00 H ATOM 467 H THR X 94 8.883 6.306 17.494 1.00 0.00 H ATOM 468 N PHE X 95 11.797 8.787 15.881 1.00 10.76 N ATOM 469 CA PHE X 95 11.836 10.233 15.658 1.00 10.34 C ATOM 470 C PHE X 95 11.039 10.484 14.378 1.00 11.26 C ATOM 471 O PHE X 95 11.502 10.154 13.287 1.00 13.49 O ATOM 472 CB PHE X 95 13.280 10.741 15.515 1.00 10.72 C ATOM 473 CG PHE X 95 13.994 10.922 16.829 1.00 10.26 C ATOM 474 CD1 PHE X 95 14.546 9.845 17.509 1.00 10.95 C ATOM 475 CD2 PHE X 95 14.101 12.178 17.396 1.00 10.30 C ATOM 476 CE1 PHE X 95 15.184 10.017 18.725 1.00 11.20 C ATOM 477 CE2 PHE X 95 14.737 12.365 18.629 1.00 10.99 C ATOM 478 CZ PHE X 95 15.282 11.277 19.283 1.00 11.56 C ATOM 479 H PHE X 95 12.576 8.202 15.518 1.00 0.00 H ATOM 480 N HIS X 96 9.825 11.020 14.515 1.00 10.87 N ATOM 481 CA HIS X 96 8.895 11.139 13.392 1.00 11.39 C ATOM 482 C HIS X 96 8.937 12.494 12.688 1.00 10.92 C ATOM 483 O HIS X 96 8.467 12.602 11.557 1.00 11.93 O ATOM 484 CB HIS X 96 7.451 10.833 13.840 1.00 12.55 C ATOM 485 CG HIS X 96 6.890 11.852 14.775 1.00 12.18 C ATOM 486 ND1 HIS X 96 7.079 11.787 16.137 1.00 11.80 N ATOM 487 CD2 HIS X 96 6.170 12.976 14.539 1.00 13.21 C ATOM 488 CE1 HIS X 96 6.492 12.831 16.696 1.00 11.89 C ATOM 489 NE2 HIS X 96 5.931 13.568 15.751 1.00 13.57 N ATOM 490 H HIS X 96 9.530 11.365 15.451 1.00 0.00 H ATOM 491 N ARG X 97 9.463 13.527 13.344 1.00 10.09 N ATOM 492 CA ARG X 97 9.545 14.865 12.751 1.00 9.96 C ATOM 493 C ARG X 97 10.925 15.425 13.059 1.00 9.59 C ATOM 494 O ARG X 97 11.256 15.610 14.232 1.00 10.04 O ATOM 495 CB ARG X 97 8.458 15.818 13.288 1.00 9.50 C ATOM 496 CG ARG X 97 8.583 17.251 12.708 1.00 9.93 C ATOM 497 CD ARG X 97 7.692 18.288 13.391 1.00 11.28 C ATOM 498 NE ARG X 97 6.327 18.360 12.890 1.00 12.56 N ATOM 499 CZ ARG X 97 5.264 18.512 13.665 1.00 13.15 C ATOM 500 NH1 ARG X 97 5.388 18.580 14.983 1.00 12.61 N ATOM 501 NH2 ARG X 97 4.064 18.582 13.120 1.00 14.55 N ATOM 502 HE ARG X 97 6.178 18.288 11.863 1.00 0.00 H ATOM 503 HH12 ARG X 97 4.544 18.699 15.579 1.00 0.00 H ATOM 504 HH11 ARG X 97 6.329 18.514 15.421 1.00 0.00 H ATOM 505 HH22 ARG X 97 3.225 18.701 13.723 1.00 0.00 H ATOM 506 HH21 ARG X 97 3.957 18.518 12.087 1.00 0.00 H ATOM 507 H ARG X 97 9.827 13.380 14.307 1.00 0.00 H ATOM 508 N VAL X 98 11.721 15.690 12.026 1.00 9.06 N ATOM 509 CA VAL X 98 13.072 16.210 12.212 1.00 8.81 C ATOM 510 C VAL X 98 13.278 17.343 11.225 1.00 8.94 C ATOM 511 O VAL X 98 13.125 17.143 10.010 1.00 10.48 O ATOM 512 CB VAL X 98 14.125 15.111 11.988 1.00 9.81 C ATOM 513 CG1 VAL X 98 15.536 15.684 12.104 1.00 10.73 C ATOM 514 CG2 VAL X 98 13.914 13.941 12.951 1.00 10.15 C ATOM 515 H VAL X 98 11.371 15.522 11.061 1.00 0.00 H ATOM 516 N ILE X 99 13.579 18.528 11.738 1.00 9.41 N ATOM 517 CA ILE X 99 13.705 19.724 10.911 1.00 9.99 C ATOM 518 C ILE X 99 15.099 20.311 11.137 1.00 9.96 C ATOM 519 O ILE X 99 15.414 20.762 12.236 1.00 10.30 O ATOM 520 CB ILE X 99 12.606 20.753 11.236 1.00 9.96 C ATOM 521 CG1 ILE X 99 11.236 20.151 10.945 1.00 10.71 C ATOM 522 CG2 ILE X 99 12.845 22.037 10.446 1.00 11.00 C ATOM 523 CD1 ILE X 99 10.078 21.019 11.367 1.00 12.21 C ATOM 524 H ILE X 99 13.730 18.608 12.764 1.00 0.00 H ATOM 525 N PRO X 100 15.960 20.268 10.107 1.00 11.14 N ATOM 526 CA PRO X 100 17.308 20.821 10.267 1.00 12.16 C ATOM 527 C PRO X 100 17.285 22.275 10.719 1.00 11.72 C ATOM 528 O PRO X 100 16.436 23.055 10.292 1.00 12.72 O ATOM 529 CB PRO X 100 17.930 20.643 8.877 1.00 14.28 C ATOM 530 CG PRO X 100 17.224 19.429 8.336 1.00 14.87 C ATOM 531 CD PRO X 100 15.800 19.578 8.816 1.00 13.25 C ATOM 532 N SER X 101 18.227 22.609 11.595 1.00 11.58 N ATOM 533 CA SER X 101 18.358 23.937 12.181 1.00 12.29 C ATOM 534 C SER X 101 17.143 24.296 13.030 1.00 11.23 C ATOM 535 O SER X 101 16.841 25.467 13.211 1.00 13.93 O ATOM 536 CB SER X 101 18.638 24.990 11.100 1.00 15.72 C ATOM 537 OG SER X 101 19.859 24.694 10.426 1.00 18.94 O ATOM 538 HG SER X 101 20.027 25.380 9.733 1.00 0.00 H ATOM 539 H SER X 101 18.911 21.879 11.879 1.00 0.00 H ATOM 540 N PHE X 102 16.489 23.279 13.586 1.00 10.20 N ATOM 541 CA PHE X 102 15.373 23.488 14.512 1.00 9.44 C ATOM 542 C PHE X 102 15.414 22.428 15.629 1.00 8.97 C ATOM 543 O PHE X 102 15.882 22.723 16.741 1.00 9.29 O ATOM 544 CB PHE X 102 14.042 23.520 13.738 1.00 9.92 C ATOM 545 CG PHE X 102 12.804 23.741 14.588 1.00 8.41 C ATOM 546 CD1 PHE X 102 12.850 24.261 15.870 1.00 9.66 C ATOM 547 CD2 PHE X 102 11.566 23.407 14.068 1.00 10.67 C ATOM 548 CE1 PHE X 102 11.680 24.440 16.607 1.00 10.06 C ATOM 549 CE2 PHE X 102 10.406 23.576 14.809 1.00 11.48 C ATOM 550 CZ PHE X 102 10.464 24.104 16.076 1.00 10.68 C ATOM 551 H PHE X 102 16.779 22.307 13.356 1.00 0.00 H ATOM 552 N MET X 103 14.919 21.221 15.363 1.00 8.54 N ATOM 553 CA MET X 103 14.795 20.213 16.411 1.00 8.09 C ATOM 554 C MET X 103 14.517 18.836 15.827 1.00 8.16 C ATOM 555 O MET X 103 14.167 18.690 14.646 1.00 8.96 O ATOM 556 CB MET X 103 13.717 20.624 17.426 1.00 8.93 C ATOM 557 CG MET X 103 12.312 20.748 16.860 1.00 8.62 C ATOM 558 SD MET X 103 11.472 19.166 16.662 1.00 8.02 S ATOM 559 CE MET X 103 10.910 19.240 14.963 1.00 9.65 C ATOM 560 H MET X 103 14.616 20.993 14.394 1.00 0.00 H ATOM 561 N CYS X 104 14.680 17.833 16.690 1.00 7.91 N ATOM 562 CA CYS X 104 14.330 16.450 16.412 1.00 8.30 C ATOM 563 C CYS X 104 13.251 15.993 17.401 1.00 7.52 C ATOM 564 O CYS X 104 13.466 16.075 18.613 1.00 8.24 O ATOM 565 CB CYS X 104 15.583 15.564 16.615 1.00 8.39 C ATOM 566 SG CYS X 104 17.079 16.075 15.723 1.00 9.57 S ATOM 567 H CYS X 104 15.084 18.055 17.622 1.00 0.00 H ATOM 568 N GLN X 105 12.119 15.500 16.892 1.00 7.71 N ATOM 569 CA GLN X 105 10.944 15.181 17.708 1.00 7.75 C ATOM 570 C GLN X 105 10.631 13.688 17.672 1.00 7.85 C ATOM 571 O GLN X 105 10.685 13.045 16.615 1.00 8.99 O ATOM 572 CB GLN X 105 9.747 15.991 17.212 1.00 8.59 C ATOM 573 CG GLN X 105 8.468 15.800 17.999 1.00 8.51 C ATOM 574 CD GLN X 105 7.340 16.663 17.472 1.00 8.73 C ATOM 575 OE1 GLN X 105 7.548 17.525 16.629 1.00 10.77 O ATOM 576 NE2 GLN X 105 6.123 16.423 17.956 1.00 8.46 N ATOM 577 HE22 GLN X 105 5.985 15.682 18.672 1.00 0.00 H ATOM 578 HE21 GLN X 105 5.310 16.977 17.618 1.00 0.00 H ATOM 579 H GLN X 105 12.069 15.334 15.867 1.00 0.00 H ATOM 580 N ALA X 106 10.267 13.145 18.831 1.00 7.69 N ATOM 581 CA ALA X 106 10.026 11.724 19.007 1.00 8.03 C ATOM 582 C ALA X 106 8.966 11.482 20.063 1.00 7.80 C ATOM 583 O ALA X 106 8.377 12.412 20.609 1.00 8.91 O ATOM 584 CB ALA X 106 11.326 11.029 19.417 1.00 9.17 C ATOM 585 H ALA X 106 10.149 13.771 19.653 1.00 0.00 H ATOM 586 N GLY X 107 8.723 10.220 20.383 1.00 10.08 N ATOM 587 CA GLY X 107 7.968 9.859 21.568 1.00 10.87 C ATOM 588 C GLY X 107 6.527 9.454 21.363 1.00 9.25 C ATOM 589 O GLY X 107 5.844 9.199 22.351 1.00 9.70 O ATOM 590 H GLY X 107 9.084 9.465 19.766 1.00 0.00 H ATOM 591 N ASP X 108 6.051 9.340 20.122 1.00 9.38 N ATOM 592 CA ASP X 108 4.699 8.821 19.904 1.00 10.50 C ATOM 593 C ASP X 108 4.728 7.300 19.770 1.00 11.65 C ATOM 594 O ASP X 108 4.962 6.764 18.680 1.00 12.31 O ATOM 595 CB ASP X 108 4.029 9.447 18.682 1.00 10.98 C ATOM 596 CG ASP X 108 2.630 8.906 18.451 1.00 11.68 C ATOM 597 OD1 ASP X 108 2.111 8.204 19.349 1.00 11.59 O ATOM 598 OD2 ASP X 108 2.042 9.184 17.383 1.00 12.39 O ATOM 599 H ASP X 108 6.639 9.619 19.311 1.00 0.00 H ATOM 600 N PHE X 109 4.478 6.613 20.883 1.00 11.65 N ATOM 601 CA PHE X 109 4.532 5.151 20.925 1.00 12.39 C ATOM 602 C PHE X 109 3.152 4.513 20.975 1.00 13.59 C ATOM 603 O PHE X 109 3.034 3.300 21.156 1.00 14.77 O ATOM 604 CB PHE X 109 5.373 4.662 22.114 1.00 11.88 C ATOM 605 CG PHE X 109 4.911 5.180 23.450 1.00 10.48 C ATOM 606 CD1 PHE X 109 3.746 4.706 24.035 1.00 10.40 C ATOM 607 CD2 PHE X 109 5.654 6.124 24.132 1.00 10.29 C ATOM 608 CE1 PHE X 109 3.327 5.178 25.268 1.00 10.49 C ATOM 609 CE2 PHE X 109 5.240 6.599 25.357 1.00 10.02 C ATOM 610 CZ PHE X 109 4.074 6.129 25.924 1.00 9.91 C ATOM 611 H PHE X 109 4.236 7.132 21.751 1.00 0.00 H ATOM 612 N THR X 110 2.101 5.310 20.817 1.00 13.82 N ATOM 613 CA THR X 110 0.761 4.741 20.783 1.00 14.84 C ATOM 614 C THR X 110 0.196 4.716 19.362 1.00 16.25 C ATOM 615 O THR X 110 -0.405 3.725 18.969 1.00 17.73 O ATOM 616 CB THR X 110 -0.216 5.468 21.726 1.00 15.38 C ATOM 617 OG1 THR X 110 -0.478 6.785 21.237 1.00 16.88 O ATOM 618 CG2 THR X 110 0.350 5.548 23.136 1.00 15.86 C ATOM 619 HG1 THR X 110 -0.879 6.727 20.334 1.00 0.00 H ATOM 620 H THR X 110 2.235 6.337 20.718 1.00 0.00 H ATOM 621 N ASN X 111 0.386 5.793 18.598 1.00 15.93 N ATOM 622 CA ASN X 111 -0.112 5.862 17.219 1.00 15.89 C ATOM 623 C ASN X 111 1.004 5.817 16.175 1.00 15.55 C ATOM 624 O ASN X 111 0.750 5.595 14.996 1.00 16.81 O ATOM 625 CB ASN X 111 -0.951 7.127 17.023 1.00 16.56 C ATOM 626 CG ASN X 111 -2.199 7.135 17.882 1.00 17.70 C ATOM 627 OD1 ASN X 111 -2.673 6.082 18.307 1.00 18.31 O ATOM 628 ND2 ASN X 111 -2.740 8.322 18.141 1.00 17.90 N ATOM 629 HD22 ASN X 111 -2.304 9.186 17.760 1.00 0.00 H ATOM 630 HD21 ASN X 111 -3.599 8.386 18.724 1.00 0.00 H ATOM 631 H ASN X 111 0.901 6.607 18.991 1.00 0.00 H ATOM 632 N HIS X 112 2.233 6.046 16.615 1.00 14.35 N ATOM 633 CA HIS X 112 3.413 5.994 15.754 1.00 15.02 C ATOM 634 C HIS X 112 3.317 6.899 14.537 1.00 14.19 C ATOM 635 O HIS X 112 3.847 6.573 13.473 1.00 15.76 O ATOM 636 CB HIS X 112 3.693 4.552 15.333 1.00 17.49 C ATOM 637 CG HIS X 112 3.873 3.622 16.491 1.00 20.19 C ATOM 638 ND1 HIS X 112 5.092 3.417 17.100 1.00 21.61 N ATOM 639 CD2 HIS X 112 2.983 2.857 17.165 1.00 21.01 C ATOM 640 CE1 HIS X 112 4.946 2.557 18.093 1.00 21.73 C ATOM 641 NE2 HIS X 112 3.676 2.201 18.152 1.00 21.55 N ATOM 642 H HIS X 112 2.364 6.274 17.621 1.00 0.00 H ATOM 643 N ASN X 113 2.672 8.051 14.702 1.00 12.97 N ATOM 644 CA ASN X 113 2.578 9.014 13.608 1.00 13.07 C ATOM 645 C ASN X 113 2.616 10.506 13.974 1.00 12.65 C ATOM 646 O ASN X 113 2.537 11.339 13.073 1.00 12.99 O ATOM 647 CB ASN X 113 1.337 8.729 12.753 1.00 13.07 C ATOM 648 CG ASN X 113 0.037 8.789 13.546 1.00 13.54 C ATOM 649 OD1 ASN X 113 -0.042 9.430 14.592 1.00 13.20 O ATOM 650 ND2 ASN X 113 -0.990 8.115 13.044 1.00 15.43 N ATOM 651 HD22 ASN X 113 -0.880 7.585 12.156 1.00 0.00 H ATOM 652 HD21 ASN X 113 -1.905 8.116 13.539 1.00 0.00 H ATOM 653 H ASN X 113 2.231 8.268 15.618 1.00 0.00 H ATOM 654 N GLY X 114 2.745 10.859 15.253 1.00 12.07 N ATOM 655 CA GLY X 114 2.832 12.273 15.642 1.00 12.98 C ATOM 656 C GLY X 114 1.600 12.918 16.295 1.00 12.25 C ATOM 657 O GLY X 114 1.600 14.077 16.686 1.00 11.71 O ATOM 658 H GLY X 114 2.785 10.123 15.986 1.00 0.00 H ATOM 659 N THR X 115 0.553 12.123 16.405 1.00 11.74 N ATOM 660 CA THR X 115 -0.748 12.418 16.970 1.00 11.26 C ATOM 661 C THR X 115 -0.954 11.818 18.348 1.00 11.75 C ATOM 662 O THR X 115 -1.907 12.203 19.017 1.00 15.03 O ATOM 663 CB THR X 115 -1.898 11.905 16.080 1.00 11.53 C ATOM 664 OG1 THR X 115 -1.844 10.477 15.986 1.00 12.19 O ATOM 665 CG2 THR X 115 -1.862 12.563 14.704 1.00 12.20 C ATOM 666 HG1 THR X 115 -0.978 10.206 15.589 1.00 0.00 H ATOM 667 H THR X 115 0.678 11.158 16.038 1.00 0.00 H ATOM 668 N GLY X 116 -0.095 10.889 18.772 1.00 11.14 N ATOM 669 CA GLY X 116 -0.368 10.097 19.963 1.00 11.80 C ATOM 670 C GLY X 116 0.659 10.218 21.065 1.00 11.80 C ATOM 671 O GLY X 116 1.316 11.257 21.246 1.00 11.32 O ATOM 672 H GLY X 116 0.785 10.728 18.242 1.00 0.00 H ATOM 673 N GLY X 117 0.792 9.127 21.814 1.00 12.65 N ATOM 674 CA GLY X 117 1.551 9.097 23.047 1.00 11.72 C ATOM 675 C GLY X 117 0.640 9.206 24.263 1.00 11.27 C ATOM 676 O GLY X 117 -0.521 9.586 24.169 1.00 13.38 O ATOM 677 H GLY X 117 0.328 8.252 21.498 1.00 0.00 H ATOM 678 N LYS X 118 1.178 8.880 25.427 1.00 10.21 N ATOM 679 CA LYS X 118 0.462 9.011 26.697 1.00 9.50 C ATOM 680 C LYS X 118 1.498 9.124 27.799 1.00 8.39 C ATOM 681 O LYS X 118 2.643 8.672 27.646 1.00 8.79 O ATOM 682 CB LYS X 118 -0.498 7.853 26.964 1.00 10.65 C ATOM 683 CG LYS X 118 0.166 6.519 27.027 1.00 11.07 C ATOM 684 CD LYS X 118 -0.844 5.381 27.307 1.00 11.95 C ATOM 685 CE LYS X 118 -0.179 4.030 27.289 1.00 13.30 C ATOM 686 NZ LYS X 118 -1.126 2.920 27.641 1.00 14.53 N ATOM 687 HZ1 LYS X 118 -1.505 3.079 28.596 1.00 0.00 H ATOM 688 HZ2 LYS X 118 -1.908 2.902 26.955 1.00 0.00 H ATOM 689 HZ3 LYS X 118 -0.619 2.012 27.614 1.00 0.00 H ATOM 690 H LYS X 118 2.152 8.515 25.440 1.00 0.00 H ATOM 691 N SER X 119 1.108 9.753 28.896 1.00 8.44 N ATOM 692 CA SER X 119 1.989 9.887 30.048 1.00 7.84 C ATOM 693 C SER X 119 1.774 8.750 31.035 1.00 7.77 C ATOM 694 O SER X 119 0.809 7.984 30.953 1.00 9.14 O ATOM 695 CB SER X 119 1.779 11.244 30.727 1.00 7.70 C ATOM 696 OG SER X 119 0.689 11.252 31.641 1.00 8.73 O ATOM 697 HG SER X 119 -0.146 11.026 31.159 1.00 0.00 H ATOM 698 H SER X 119 0.152 10.160 28.936 1.00 0.00 H ATOM 699 N ILE X 120 2.643 8.693 32.032 1.00 7.51 N ATOM 700 CA ILE X 120 2.467 7.747 33.114 1.00 8.23 C ATOM 701 C ILE X 120 1.302 8.111 34.038 1.00 8.70 C ATOM 702 O ILE X 120 0.898 7.286 34.853 1.00 10.92 O ATOM 703 CB ILE X 120 3.749 7.571 33.951 1.00 8.83 C ATOM 704 CG1 ILE X 120 4.106 8.849 34.726 1.00 8.83 C ATOM 705 CG2 ILE X 120 4.884 7.101 33.048 1.00 9.44 C ATOM 706 CD1 ILE X 120 5.213 8.654 35.744 1.00 9.95 C ATOM 707 H ILE X 120 3.461 9.335 32.038 1.00 0.00 H ATOM 708 N TYR X 121 0.774 9.325 33.920 1.00 7.69 N ATOM 709 CA TYR X 121 -0.304 9.801 34.790 1.00 8.54 C ATOM 710 C TYR X 121 -1.690 9.595 34.201 1.00 8.66 C ATOM 711 O TYR X 121 -2.676 9.642 34.922 1.00 9.86 O ATOM 712 CB TYR X 121 -0.121 11.308 35.066 1.00 8.45 C ATOM 713 CG TYR X 121 1.262 11.657 35.558 1.00 8.28 C ATOM 714 CD1 TYR X 121 1.747 11.140 36.750 1.00 8.94 C ATOM 715 CD2 TYR X 121 2.093 12.506 34.838 1.00 7.94 C ATOM 716 CE1 TYR X 121 3.019 11.425 37.192 1.00 8.90 C ATOM 717 CE2 TYR X 121 3.373 12.816 35.277 1.00 8.12 C ATOM 718 CZ TYR X 121 3.838 12.271 36.462 1.00 8.16 C ATOM 719 OH TYR X 121 5.109 12.522 36.941 1.00 9.03 O ATOM 720 HH TYR X 121 5.239 12.040 37.796 1.00 0.00 H ATOM 721 H TYR X 121 1.140 9.961 33.183 1.00 0.00 H ATOM 722 N GLY X 122 -1.764 9.410 32.892 1.00 8.85 N ATOM 723 CA GLY X 122 -2.999 9.496 32.135 1.00 9.16 C ATOM 724 C GLY X 122 -2.655 9.983 30.743 1.00 8.85 C ATOM 725 O GLY X 122 -1.476 10.090 30.374 1.00 9.79 O ATOM 726 H GLY X 122 -0.887 9.191 32.377 1.00 0.00 H ATOM 727 N SER X 123 -3.658 10.312 29.940 1.00 8.84 N ATOM 728 CA SER X 123 -3.347 10.620 28.550 1.00 9.16 C ATOM 729 C SER X 123 -2.594 11.933 28.364 1.00 9.72 C ATOM 730 O SER X 123 -1.782 12.039 27.447 1.00 11.12 O ATOM 731 CB SER X 123 -4.596 10.583 27.667 1.00 10.10 C ATOM 732 OG SER X 123 -5.525 11.609 27.986 1.00 11.20 O ATOM 733 HG SER X 123 -6.310 11.539 27.387 1.00 0.00 H ATOM 734 H SER X 123 -4.636 10.349 30.291 1.00 0.00 H ATOM 735 N ARG X 124 -2.872 12.921 29.211 1.00 8.62 N ATOM 736 CA ARG X 124 -2.198 14.205 29.157 1.00 9.08 C ATOM 737 C ARG X 124 -2.022 14.732 30.574 1.00 8.34 C ATOM 738 O ARG X 124 -2.754 14.349 31.489 1.00 9.46 O ATOM 739 CB ARG X 124 -3.019 15.209 28.347 1.00 11.46 C ATOM 740 CG ARG X 124 -3.334 14.768 26.905 1.00 13.30 C ATOM 741 CD ARG X 124 -2.122 14.780 25.997 1.00 13.49 C ATOM 742 NE ARG X 124 -2.439 14.374 24.632 1.00 14.41 N ATOM 743 CZ ARG X 124 -2.232 13.159 24.136 1.00 15.49 C ATOM 744 NH1 ARG X 124 -1.703 12.194 24.877 1.00 15.77 N ATOM 745 NH2 ARG X 124 -2.548 12.910 22.879 1.00 18.20 N ATOM 746 HE ARG X 124 -2.857 15.087 24.001 1.00 0.00 H ATOM 747 HH12 ARG X 124 -1.549 11.250 24.469 1.00 0.00 H ATOM 748 HH11 ARG X 124 -1.442 12.382 25.866 1.00 0.00 H ATOM 749 HH22 ARG X 124 -2.390 11.962 22.481 1.00 0.00 H ATOM 750 HH21 ARG X 124 -2.955 13.662 22.286 1.00 0.00 H ATOM 751 H ARG X 124 -3.599 12.767 29.938 1.00 0.00 H ATOM 752 N PHE X 125 -1.069 15.647 30.741 1.00 7.69 N ATOM 753 CA PHE X 125 -0.858 16.287 32.036 1.00 7.57 C ATOM 754 C PHE X 125 -0.472 17.753 31.856 1.00 7.00 C ATOM 755 O PHE X 125 -0.030 18.183 30.780 1.00 7.75 O ATOM 756 CB PHE X 125 0.143 15.497 32.912 1.00 7.88 C ATOM 757 CG PHE X 125 1.573 15.480 32.417 1.00 7.29 C ATOM 758 CD1 PHE X 125 1.976 14.635 31.399 1.00 7.38 C ATOM 759 CD2 PHE X 125 2.537 16.264 33.041 1.00 8.36 C ATOM 760 CE1 PHE X 125 3.310 14.591 30.991 1.00 7.49 C ATOM 761 CE2 PHE X 125 3.867 16.214 32.643 1.00 8.62 C ATOM 762 CZ PHE X 125 4.247 15.382 31.620 1.00 7.93 C ATOM 763 H PHE X 125 -0.465 15.910 29.936 1.00 0.00 H ATOM 764 N PRO X 126 -0.671 18.552 32.908 1.00 7.52 N ATOM 765 CA PRO X 126 -0.477 20.002 32.786 1.00 8.59 C ATOM 766 C PRO X 126 0.952 20.444 32.547 1.00 7.42 C ATOM 767 O PRO X 126 1.909 19.730 32.860 1.00 8.02 O ATOM 768 CB PRO X 126 -0.913 20.553 34.161 1.00 11.31 C ATOM 769 CG PRO X 126 -1.704 19.509 34.775 1.00 10.85 C ATOM 770 CD PRO X 126 -1.244 18.199 34.221 1.00 8.24 C ATOM 771 N ASP X 127 1.091 21.657 32.028 1.00 7.46 N ATOM 772 CA ASP X 127 2.379 22.349 31.981 1.00 7.54 C ATOM 773 C ASP X 127 2.837 22.648 33.405 1.00 7.88 C ATOM 774 O ASP X 127 2.200 23.404 34.142 1.00 9.59 O ATOM 775 CB ASP X 127 2.251 23.653 31.203 1.00 6.80 C ATOM 776 CG ASP X 127 1.864 23.442 29.744 1.00 7.90 C ATOM 777 OD1 ASP X 127 2.412 22.501 29.123 1.00 8.64 O ATOM 778 OD2 ASP X 127 1.038 24.256 29.217 1.00 8.40 O ATOM 779 H ASP X 127 0.252 22.134 31.640 1.00 0.00 H ATOM 780 N GLU X 128 3.962 22.062 33.798 1.00 7.77 N ATOM 781 CA GLU X 128 4.401 22.126 35.181 1.00 7.94 C ATOM 782 C GLU X 128 4.874 23.543 35.537 1.00 7.72 C ATOM 783 O GLU X 128 4.448 24.119 36.544 1.00 9.54 O ATOM 784 CB GLU X 128 5.482 21.074 35.401 1.00 7.86 C ATOM 785 CG GLU X 128 5.887 20.909 36.836 1.00 8.14 C ATOM 786 CD GLU X 128 6.689 19.642 37.085 1.00 7.42 C ATOM 787 OE1 GLU X 128 7.171 19.024 36.106 1.00 7.65 O ATOM 788 OE2 GLU X 128 6.823 19.259 38.267 1.00 8.20 O ATOM 789 H GLU X 128 4.539 21.548 33.103 1.00 0.00 H ATOM 790 N ASN X 129 5.774 24.088 34.728 1.00 7.67 N ATOM 791 CA ASN X 129 6.197 25.478 34.796 1.00 7.95 C ATOM 792 C ASN X 129 6.986 25.758 33.525 1.00 7.80 C ATOM 793 O ASN X 129 7.273 24.843 32.750 1.00 8.35 O ATOM 794 CB ASN X 129 7.023 25.787 36.057 1.00 8.32 C ATOM 795 CG ASN X 129 8.298 24.973 36.139 1.00 7.85 C ATOM 796 OD1 ASN X 129 9.154 25.027 35.243 1.00 8.23 O ATOM 797 ND2 ASN X 129 8.435 24.216 37.215 1.00 8.72 N ATOM 798 HD22 ASN X 129 7.690 24.203 37.940 1.00 0.00 H ATOM 799 HD21 ASN X 129 9.288 23.633 37.336 1.00 0.00 H ATOM 800 H ASN X 129 6.204 23.483 33.999 1.00 0.00 H ATOM 801 N PHE X 130 7.328 27.032 33.322 1.00 7.93 N ATOM 802 CA PHE X 130 8.143 27.454 32.184 1.00 8.00 C ATOM 803 C PHE X 130 9.450 28.071 32.678 1.00 8.25 C ATOM 804 O PHE X 130 10.009 28.981 32.072 1.00 9.97 O ATOM 805 CB PHE X 130 7.357 28.414 31.275 1.00 8.53 C ATOM 806 CG PHE X 130 6.107 27.791 30.706 1.00 8.10 C ATOM 807 CD1 PHE X 130 6.176 26.763 29.781 1.00 8.47 C ATOM 808 CD2 PHE X 130 4.861 28.216 31.131 1.00 9.66 C ATOM 809 CE1 PHE X 130 5.043 26.174 29.268 1.00 9.41 C ATOM 810 CE2 PHE X 130 3.715 27.628 30.624 1.00 10.64 C ATOM 811 CZ PHE X 130 3.809 26.613 29.675 1.00 10.36 C ATOM 812 H PHE X 130 7.003 27.752 33.999 1.00 0.00 H ATOM 813 N THR X 131 9.967 27.557 33.792 1.00 7.93 N ATOM 814 CA THR X 131 11.139 28.168 34.410 1.00 8.33 C ATOM 815 C THR X 131 12.408 28.021 33.574 1.00 7.94 C ATOM 816 O THR X 131 13.174 28.975 33.444 1.00 9.26 O ATOM 817 CB THR X 131 11.349 27.587 35.814 1.00 8.66 C ATOM 818 OG1 THR X 131 10.153 27.794 36.565 1.00 10.47 O ATOM 819 CG2 THR X 131 12.516 28.251 36.533 1.00 9.93 C ATOM 820 HG1 THR X 131 10.269 27.425 37.476 1.00 0.00 H ATOM 821 H THR X 131 9.533 26.716 34.224 1.00 0.00 H ATOM 822 N LEU X 132 12.649 26.831 33.026 1.00 7.42 N ATOM 823 CA LEU X 132 13.790 26.587 32.147 1.00 7.71 C ATOM 824 C LEU X 132 13.474 27.104 30.744 1.00 7.66 C ATOM 825 O LEU X 132 12.351 26.994 30.258 1.00 8.77 O ATOM 826 CB LEU X 132 14.121 25.090 32.110 1.00 7.51 C ATOM 827 CG LEU X 132 14.779 24.541 33.369 1.00 8.23 C ATOM 828 CD1 LEU X 132 14.592 23.036 33.458 1.00 9.58 C ATOM 829 CD2 LEU X 132 16.270 24.906 33.422 1.00 9.53 C ATOM 830 H LEU X 132 12.000 26.045 33.232 1.00 0.00 H ATOM 831 N LYS X 133 14.487 27.643 30.084 1.00 8.04 N ATOM 832 CA LYS X 133 14.297 28.242 28.770 1.00 8.93 C ATOM 833 C LYS X 133 14.985 27.426 27.671 1.00 8.17 C ATOM 834 O LYS X 133 15.871 26.591 27.924 1.00 8.60 O ATOM 835 CB LYS X 133 14.809 29.689 28.760 1.00 10.82 C ATOM 836 CG LYS X 133 14.309 30.555 29.904 1.00 13.43 C ATOM 837 CD LYS X 133 12.809 30.636 29.978 1.00 14.99 C ATOM 838 CE LYS X 133 12.388 31.535 31.109 1.00 17.16 C ATOM 839 NZ LYS X 133 10.915 31.660 31.215 1.00 19.09 N ATOM 840 HZ1 LYS X 133 10.538 32.057 30.331 1.00 0.00 H ATOM 841 HZ2 LYS X 133 10.500 30.721 31.379 1.00 0.00 H ATOM 842 HZ3 LYS X 133 10.678 32.289 32.009 1.00 0.00 H ATOM 843 H LYS X 133 15.435 27.639 30.511 1.00 0.00 H ATOM 844 N HIS X 134 14.563 27.681 26.440 1.00 8.31 N ATOM 845 CA HIS X 134 15.108 27.019 25.256 1.00 8.66 C ATOM 846 C HIS X 134 16.372 27.786 24.842 1.00 10.01 C ATOM 847 O HIS X 134 16.351 28.626 23.940 1.00 12.91 O ATOM 848 CB HIS X 134 14.086 26.996 24.117 1.00 8.37 C ATOM 849 CG HIS X 134 12.843 26.190 24.404 1.00 7.42 C ATOM 850 ND1 HIS X 134 11.777 26.694 25.118 1.00 7.16 N ATOM 851 CD2 HIS X 134 12.493 24.922 24.066 1.00 7.17 C ATOM 852 CE1 HIS X 134 10.833 25.763 25.202 1.00 6.65 C ATOM 853 NE2 HIS X 134 11.236 24.676 24.572 1.00 7.41 N ATOM 854 H HIS X 134 13.809 28.385 26.311 1.00 0.00 H ATOM 855 N VAL X 135 17.464 27.503 25.539 1.00 9.70 N ATOM 856 CA VAL X 135 18.654 28.346 25.493 1.00 10.61 C ATOM 857 C VAL X 135 19.602 28.037 24.347 1.00 11.14 C ATOM 858 O VAL X 135 20.451 28.866 24.025 1.00 13.24 O ATOM 859 CB VAL X 135 19.453 28.255 26.822 1.00 10.96 C ATOM 860 CG1 VAL X 135 18.674 28.861 27.971 1.00 12.33 C ATOM 861 CG2 VAL X 135 19.860 26.827 27.132 1.00 11.97 C ATOM 862 H VAL X 135 17.473 26.653 26.138 1.00 0.00 H ATOM 863 N GLY X 136 19.502 26.864 23.734 1.00 10.35 N ATOM 864 CA GLY X 136 20.466 26.474 22.715 1.00 10.80 C ATOM 865 C GLY X 136 20.328 25.022 22.307 1.00 10.01 C ATOM 866 O GLY X 136 19.395 24.319 22.734 1.00 10.45 O ATOM 867 H GLY X 136 18.727 26.217 23.984 1.00 0.00 H ATOM 868 N PRO X 137 21.265 24.558 21.475 1.00 10.33 N ATOM 869 CA PRO X 137 21.275 23.145 21.090 1.00 10.57 C ATOM 870 C PRO X 137 21.370 22.248 22.321 1.00 9.77 C ATOM 871 O PRO X 137 22.067 22.562 23.284 1.00 11.74 O ATOM 872 CB PRO X 137 22.534 23.017 20.224 1.00 11.73 C ATOM 873 CG PRO X 137 22.863 24.403 19.789 1.00 13.73 C ATOM 874 CD PRO X 137 22.401 25.294 20.902 1.00 12.08 C ATOM 875 N GLY X 138 20.666 21.130 22.270 1.00 8.48 N ATOM 876 CA GLY X 138 20.705 20.129 23.320 1.00 8.41 C ATOM 877 C GLY X 138 19.594 20.230 24.345 1.00 7.29 C ATOM 878 O GLY X 138 19.458 19.340 25.187 1.00 8.09 O ATOM 879 H GLY X 138 20.059 20.961 21.443 1.00 0.00 H ATOM 880 N VAL X 139 18.781 21.286 24.292 1.00 7.30 N ATOM 881 CA VAL X 139 17.642 21.400 25.187 1.00 7.03 C ATOM 882 C VAL X 139 16.621 20.302 24.893 1.00 6.28 C ATOM 883 O VAL X 139 16.298 20.033 23.734 1.00 7.58 O ATOM 884 CB VAL X 139 17.005 22.788 25.017 1.00 7.43 C ATOM 885 CG1 VAL X 139 15.582 22.844 25.599 1.00 9.03 C ATOM 886 CG2 VAL X 139 17.904 23.864 25.630 1.00 8.69 C ATOM 887 H VAL X 139 18.965 22.040 23.599 1.00 0.00 H ATOM 888 N LEU X 140 16.091 19.707 25.958 1.00 6.37 N ATOM 889 CA LEU X 140 15.052 18.671 25.931 1.00 6.28 C ATOM 890 C LEU X 140 13.751 19.283 26.443 1.00 5.92 C ATOM 891 O LEU X 140 13.717 19.818 27.560 1.00 6.41 O ATOM 892 CB LEU X 140 15.503 17.507 26.822 1.00 6.81 C ATOM 893 CG LEU X 140 14.525 16.348 26.971 1.00 6.94 C ATOM 894 CD1 LEU X 140 14.317 15.583 25.666 1.00 8.64 C ATOM 895 CD2 LEU X 140 14.989 15.415 28.083 1.00 7.69 C ATOM 896 H LEU X 140 16.444 20.002 26.891 1.00 0.00 H ATOM 897 N SER X 141 12.695 19.195 25.631 1.00 6.11 N ATOM 898 CA SER X 141 11.458 19.910 25.899 1.00 6.10 C ATOM 899 C SER X 141 10.259 19.059 25.464 1.00 5.98 C ATOM 900 O SER X 141 10.375 18.169 24.616 1.00 6.58 O ATOM 901 CB SER X 141 11.530 21.253 25.176 1.00 7.17 C ATOM 902 OG SER X 141 10.391 22.039 25.438 1.00 7.64 O ATOM 903 HG SER X 141 10.468 22.900 24.956 1.00 0.00 H ATOM 904 H SER X 141 12.759 18.598 24.782 1.00 0.00 H ATOM 905 N MET X 142 9.101 19.331 26.066 1.00 6.05 N ATOM 906 CA MET X 142 7.875 18.590 25.762 1.00 6.12 C ATOM 907 C MET X 142 7.155 19.140 24.541 1.00 6.52 C ATOM 908 O MET X 142 6.856 20.343 24.479 1.00 7.41 O ATOM 909 CB MET X 142 6.897 18.649 26.936 1.00 6.32 C ATOM 910 CG MET X 142 7.367 17.944 28.186 1.00 6.41 C ATOM 911 SD MET X 142 7.710 16.195 27.894 1.00 6.92 S ATOM 912 CE MET X 142 6.043 15.531 27.826 1.00 8.28 C ATOM 913 H MET X 142 9.067 20.093 26.773 1.00 0.00 H ATOM 914 N ALA X 143 6.831 18.266 23.591 1.00 6.81 N ATOM 915 CA ALA X 143 5.916 18.632 22.514 1.00 7.27 C ATOM 916 C ALA X 143 4.505 18.760 23.099 1.00 7.27 C ATOM 917 O ALA X 143 4.214 18.206 24.165 1.00 7.68 O ATOM 918 CB ALA X 143 5.935 17.554 21.431 1.00 8.88 C ATOM 919 H ALA X 143 7.236 17.308 23.616 1.00 0.00 H ATOM 920 N ASN X 144 3.615 19.463 22.403 1.00 7.82 N ATOM 921 CA ASN X 144 2.248 19.559 22.884 1.00 8.18 C ATOM 922 C ASN X 144 1.319 19.994 21.747 1.00 9.00 C ATOM 923 O ASN X 144 1.750 20.266 20.621 1.00 10.79 O ATOM 924 CB ASN X 144 2.144 20.465 24.117 1.00 8.06 C ATOM 925 CG ASN X 144 2.451 21.910 23.817 1.00 8.17 C ATOM 926 OD1 ASN X 144 1.900 22.482 22.876 1.00 10.07 O ATOM 927 ND2 ASN X 144 3.300 22.526 24.632 1.00 8.64 N ATOM 928 HD22 ASN X 144 3.742 22.003 25.414 1.00 0.00 H ATOM 929 HD21 ASN X 144 3.523 23.532 24.488 1.00 0.00 H ATOM 930 H ASN X 144 3.896 19.940 21.522 1.00 0.00 H ATOM 931 N ALA X 145 0.032 19.976 22.057 1.00 9.06 N ATOM 932 CA ALA X 145 -1.028 20.389 21.151 1.00 10.90 C ATOM 933 C ALA X 145 -1.755 21.606 21.725 1.00 10.72 C ATOM 934 O ALA X 145 -2.958 21.775 21.512 1.00 13.32 O ATOM 935 CB ALA X 145 -1.994 19.237 20.937 1.00 13.26 C ATOM 936 H ALA X 145 -0.237 19.647 23.006 1.00 0.00 H ATOM 937 N GLY X 146 -1.022 22.470 22.420 1.00 10.03 N ATOM 938 CA GLY X 146 -1.564 23.631 23.098 1.00 10.27 C ATOM 939 C GLY X 146 -1.336 23.522 24.595 1.00 9.12 C ATOM 940 O GLY X 146 -0.733 22.563 25.095 1.00 8.84 O ATOM 941 H GLY X 146 0.003 22.303 22.481 1.00 0.00 H ATOM 942 N PRO X 147 -1.828 24.496 25.355 1.00 9.61 N ATOM 943 CA PRO X 147 -1.607 24.468 26.805 1.00 9.41 C ATOM 944 C PRO X 147 -2.095 23.175 27.458 1.00 8.31 C ATOM 945 O PRO X 147 -3.162 22.656 27.142 1.00 9.01 O ATOM 946 CB PRO X 147 -2.401 25.691 27.306 1.00 11.29 C ATOM 947 CG PRO X 147 -2.343 26.635 26.138 1.00 12.76 C ATOM 948 CD PRO X 147 -2.479 25.748 24.930 1.00 11.77 C ATOM 949 N ASN X 148 -1.302 22.683 28.398 1.00 7.59 N ATOM 950 CA ASN X 148 -1.683 21.557 29.248 1.00 7.40 C ATOM 951 C ASN X 148 -2.054 20.300 28.466 1.00 7.51 C ATOM 952 O ASN X 148 -3.043 19.625 28.788 1.00 8.25 O ATOM 953 CB ASN X 148 -2.799 21.969 30.196 1.00 8.03 C ATOM 954 CG ASN X 148 -2.408 23.163 30.999 1.00 7.89 C ATOM 955 OD1 ASN X 148 -1.403 23.144 31.725 1.00 8.82 O ATOM 956 ND2 ASN X 148 -3.163 24.240 30.847 1.00 9.20 N ATOM 957 HD22 ASN X 148 -3.997 24.207 30.227 1.00 0.00 H ATOM 958 HD21 ASN X 148 -2.922 25.119 31.348 1.00 0.00 H ATOM 959 H ASN X 148 -0.367 23.117 28.537 1.00 0.00 H ATOM 960 N THR X 149 -1.220 19.950 27.481 1.00 7.71 N ATOM 961 CA THR X 149 -1.424 18.742 26.684 1.00 7.81 C ATOM 962 C THR X 149 -0.134 17.924 26.545 1.00 7.76 C ATOM 963 O THR X 149 0.108 17.278 25.530 1.00 9.74 O ATOM 964 CB THR X 149 -2.029 19.032 25.291 1.00 8.59 C ATOM 965 OG1 THR X 149 -1.154 19.901 24.570 1.00 8.79 O ATOM 966 CG2 THR X 149 -3.424 19.657 25.403 1.00 10.00 C ATOM 967 HG1 THR X 149 -1.048 20.749 25.070 1.00 0.00 H ATOM 968 H THR X 149 -0.400 20.556 27.276 1.00 0.00 H ATOM 969 N ASN X 150 0.682 17.912 27.595 1.00 7.37 N ATOM 970 CA ASN X 150 1.867 17.050 27.617 1.00 7.08 C ATOM 971 C ASN X 150 1.449 15.594 27.681 1.00 7.14 C ATOM 972 O ASN X 150 0.534 15.255 28.424 1.00 8.20 O ATOM 973 CB ASN X 150 2.734 17.403 28.816 1.00 7.13 C ATOM 974 CG ASN X 150 3.143 18.826 28.788 1.00 7.55 C ATOM 975 OD1 ASN X 150 3.958 19.222 27.977 1.00 8.93 O ATOM 976 ND2 ASN X 150 2.500 19.645 29.631 1.00 8.30 N ATOM 977 HD22 ASN X 150 1.811 19.258 30.307 1.00 0.00 H ATOM 978 HD21 ASN X 150 2.690 20.667 29.609 1.00 0.00 H ATOM 979 H ASN X 150 0.476 18.523 28.411 1.00 0.00 H ATOM 980 N GLY X 151 2.140 14.736 26.938 1.00 7.11 N ATOM 981 CA GLY X 151 1.877 13.307 26.983 1.00 7.19 C ATOM 982 C GLY X 151 3.199 12.569 27.104 1.00 6.79 C ATOM 983 O GLY X 151 3.803 12.503 28.174 1.00 8.06 O ATOM 984 H GLY X 151 2.887 15.095 26.309 1.00 0.00 H ATOM 985 N SER X 152 3.674 12.073 25.965 1.00 7.02 N ATOM 986 CA SER X 152 4.991 11.471 25.873 1.00 7.47 C ATOM 987 C SER X 152 5.878 12.107 24.806 1.00 6.80 C ATOM 988 O SER X 152 7.090 11.934 24.858 1.00 7.46 O ATOM 989 CB SER X 152 4.886 9.971 25.601 1.00 8.40 C ATOM 990 OG SER X 152 4.123 9.720 24.456 1.00 8.97 O ATOM 991 HG SER X 152 4.549 10.155 23.675 1.00 0.00 H ATOM 992 H SER X 152 3.081 12.118 25.112 1.00 0.00 H ATOM 993 N GLN X 153 5.318 12.808 23.825 1.00 6.98 N ATOM 994 CA GLN X 153 6.156 13.339 22.766 1.00 7.12 C ATOM 995 C GLN X 153 7.082 14.435 23.307 1.00 6.76 C ATOM 996 O GLN X 153 6.687 15.259 24.152 1.00 7.05 O ATOM 997 CB GLN X 153 5.307 13.879 21.625 1.00 6.99 C ATOM 998 CG GLN X 153 4.619 12.808 20.797 1.00 7.34 C ATOM 999 CD GLN X 153 3.913 13.452 19.631 1.00 7.78 C ATOM 1000 OE1 GLN X 153 4.519 14.183 18.851 1.00 7.87 O ATOM 1001 NE2 GLN X 153 2.617 13.189 19.509 1.00 8.08 N ATOM 1002 HE22 GLN X 153 2.147 12.564 20.194 1.00 0.00 H ATOM 1003 HE21 GLN X 153 2.073 13.608 18.728 1.00 0.00 H ATOM 1004 H GLN X 153 4.291 12.974 23.817 1.00 0.00 H ATOM 1005 N PHE X 154 8.291 14.473 22.756 1.00 6.62 N ATOM 1006 CA PHE X 154 9.346 15.370 23.212 1.00 6.59 C ATOM 1007 C PHE X 154 10.201 15.765 22.026 1.00 6.44 C ATOM 1008 O PHE X 154 10.115 15.161 20.950 1.00 7.03 O ATOM 1009 CB PHE X 154 10.202 14.682 24.290 1.00 6.96 C ATOM 1010 CG PHE X 154 11.004 13.504 23.788 1.00 6.93 C ATOM 1011 CD1 PHE X 154 12.315 13.667 23.354 1.00 7.59 C ATOM 1012 CD2 PHE X 154 10.451 12.233 23.756 1.00 7.46 C ATOM 1013 CE1 PHE X 154 13.060 12.579 22.924 1.00 8.39 C ATOM 1014 CE2 PHE X 154 11.191 11.144 23.328 1.00 7.99 C ATOM 1015 CZ PHE X 154 12.503 11.317 22.913 1.00 8.74 C ATOM 1016 H PHE X 154 8.494 13.833 21.962 1.00 0.00 H ATOM 1017 N PHE X 155 11.058 16.761 22.225 1.00 6.38 N ATOM 1018 CA PHE X 155 12.002 17.139 21.193 1.00 6.62 C ATOM 1019 C PHE X 155 13.316 17.563 21.810 1.00 6.28 C ATOM 1020 O PHE X 155 13.391 17.969 22.977 1.00 6.91 O ATOM 1021 CB PHE X 155 11.434 18.210 20.242 1.00 7.40 C ATOM 1022 CG PHE X 155 11.038 19.506 20.904 1.00 7.45 C ATOM 1023 CD1 PHE X 155 9.833 19.634 21.588 1.00 7.75 C ATOM 1024 CD2 PHE X 155 11.866 20.633 20.809 1.00 7.85 C ATOM 1025 CE1 PHE X 155 9.458 20.835 22.165 1.00 8.54 C ATOM 1026 CE2 PHE X 155 11.492 21.849 21.381 1.00 8.89 C ATOM 1027 CZ PHE X 155 10.284 21.947 22.056 1.00 8.78 C ATOM 1028 H PHE X 155 11.051 17.274 23.130 1.00 0.00 H ATOM 1029 N ILE X 156 14.361 17.433 21.000 1.00 6.74 N ATOM 1030 CA ILE X 156 15.703 17.894 21.326 1.00 6.80 C ATOM 1031 C ILE X 156 16.060 18.997 20.339 1.00 7.05 C ATOM 1032 O ILE X 156 16.046 18.781 19.117 1.00 7.79 O ATOM 1033 CB ILE X 156 16.733 16.751 21.272 1.00 6.57 C ATOM 1034 CG1 ILE X 156 16.360 15.632 22.254 1.00 8.22 C ATOM 1035 CG2 ILE X 156 18.132 17.312 21.562 1.00 7.96 C ATOM 1036 CD1 ILE X 156 17.195 14.371 22.084 1.00 9.92 C ATOM 1037 H ILE X 156 14.212 16.975 20.078 1.00 0.00 H ATOM 1038 N CYS X 157 16.352 20.179 20.857 1.00 7.52 N ATOM 1039 CA CYS X 157 16.667 21.338 20.027 1.00 7.67 C ATOM 1040 C CYS X 157 18.049 21.205 19.409 1.00 8.00 C ATOM 1041 O CYS X 157 18.974 20.697 20.040 1.00 9.10 O ATOM 1042 CB CYS X 157 16.646 22.609 20.874 1.00 8.27 C ATOM 1043 SG CYS X 157 15.046 22.956 21.635 1.00 8.87 S ATOM 1044 H CYS X 157 16.357 20.286 21.891 1.00 0.00 H ATOM 1045 N THR X 158 18.207 21.739 18.198 1.00 8.75 N ATOM 1046 CA THR X 158 19.527 21.826 17.582 1.00 9.73 C ATOM 1047 C THR X 158 19.990 23.278 17.389 1.00 10.74 C ATOM 1048 O THR X 158 21.041 23.523 16.807 1.00 12.56 O ATOM 1049 CB THR X 158 19.571 21.064 16.271 1.00 10.36 C ATOM 1050 OG1 THR X 158 18.595 21.623 15.398 1.00 11.38 O ATOM 1051 CG2 THR X 158 19.304 19.576 16.510 1.00 11.48 C ATOM 1052 HG1 THR X 158 18.609 21.138 14.535 1.00 0.00 H ATOM 1053 H THR X 158 17.377 22.099 17.685 1.00 0.00 H ATOM 1054 N ILE X 159 19.208 24.205 17.931 1.00 10.91 N ATOM 1055 CA ILE X 159 19.492 25.640 17.928 1.00 11.70 C ATOM 1056 C ILE X 159 18.729 26.223 19.117 1.00 10.35 C ATOM 1057 O ILE X 159 17.878 25.556 19.702 1.00 10.84 O ATOM 1058 CB ILE X 159 18.987 26.355 16.635 1.00 13.80 C ATOM 1059 CG1 ILE X 159 17.468 26.198 16.493 1.00 14.41 C ATOM 1060 CG2 ILE X 159 19.700 25.838 15.386 1.00 15.01 C ATOM 1061 CD1 ILE X 159 16.779 27.415 15.868 1.00 15.43 C ATOM 1062 H ILE X 159 18.331 23.888 18.391 1.00 0.00 H ATOM 1063 N LYS X 160 19.018 27.468 19.477 1.00 11.37 N ATOM 1064 CA LYS X 160 18.206 28.222 20.428 1.00 11.10 C ATOM 1065 C LYS X 160 16.820 28.449 19.825 1.00 10.71 C ATOM 1066 O LYS X 160 16.704 29.004 18.741 1.00 13.91 O ATOM 1067 CB LYS X 160 18.896 29.559 20.713 1.00 11.37 C ATOM 1068 CG LYS X 160 18.142 30.497 21.631 1.00 11.84 C ATOM 1069 CD LYS X 160 18.909 31.794 21.829 1.00 13.65 C ATOM 1070 CE LYS X 160 18.109 32.814 22.617 1.00 14.31 C ATOM 1071 NZ LYS X 160 18.855 34.089 22.739 1.00 15.03 N ATOM 1072 HZ1 LYS X 160 19.755 33.917 23.230 1.00 0.00 H ATOM 1073 HZ2 LYS X 160 19.044 34.471 21.790 1.00 0.00 H ATOM 1074 HZ3 LYS X 160 18.287 34.771 23.282 1.00 0.00 H ATOM 1075 H LYS X 160 19.857 27.925 19.065 1.00 0.00 H ATOM 1076 N THR X 161 15.774 28.010 20.519 1.00 10.89 N ATOM 1077 CA THR X 161 14.400 28.145 20.030 1.00 11.43 C ATOM 1078 C THR X 161 13.579 29.000 21.003 1.00 10.71 C ATOM 1079 O THR X 161 12.627 28.538 21.637 1.00 10.07 O ATOM 1080 CB THR X 161 13.723 26.770 19.817 1.00 11.19 C ATOM 1081 OG1 THR X 161 13.664 26.051 21.042 1.00 10.95 O ATOM 1082 CG2 THR X 161 14.474 25.921 18.804 1.00 12.26 C ATOM 1083 HG1 THR X 161 13.140 26.570 21.703 1.00 0.00 H ATOM 1084 H THR X 161 15.937 27.555 21.440 1.00 0.00 H ATOM 1085 N ASP X 162 13.946 30.271 21.104 1.00 12.94 N ATOM 1086 CA ASP X 162 13.398 31.137 22.139 1.00 13.39 C ATOM 1087 C ASP X 162 11.905 31.382 22.015 1.00 12.42 C ATOM 1088 O ASP X 162 11.245 31.659 23.014 1.00 13.09 O ATOM 1089 CB ASP X 162 14.178 32.466 22.236 1.00 14.70 C ATOM 1090 CG ASP X 162 13.976 33.416 21.027 1.00 14.45 C ATOM 1091 OD1 ASP X 162 14.460 34.566 21.137 1.00 15.11 O ATOM 1092 OD2 ASP X 162 13.373 33.051 19.985 1.00 14.40 O ATOM 1093 H ASP X 162 14.639 30.657 20.431 1.00 0.00 H ATOM 1094 N TRP X 163 11.371 31.262 20.805 1.00 12.46 N ATOM 1095 CA TRP X 163 9.948 31.493 20.589 1.00 13.75 C ATOM 1096 C TRP X 163 9.093 30.409 21.235 1.00 12.28 C ATOM 1097 O TRP X 163 7.881 30.574 21.324 1.00 15.48 O ATOM 1098 CB TRP X 163 9.618 31.638 19.085 1.00 16.51 C ATOM 1099 CG TRP X 163 9.771 30.378 18.237 1.00 16.80 C ATOM 1100 CD1 TRP X 163 8.777 29.518 17.858 1.00 19.02 C ATOM 1101 CD2 TRP X 163 10.975 29.869 17.657 1.00 17.00 C ATOM 1102 NE1 TRP X 163 9.291 28.511 17.084 1.00 19.93 N ATOM 1103 CE2 TRP X 163 10.636 28.696 16.946 1.00 18.35 C ATOM 1104 CE3 TRP X 163 12.299 30.304 17.642 1.00 17.55 C ATOM 1105 CZ2 TRP X 163 11.575 27.952 16.239 1.00 19.31 C ATOM 1106 CZ3 TRP X 163 13.238 29.554 16.939 1.00 19.38 C ATOM 1107 CH2 TRP X 163 12.869 28.389 16.259 1.00 19.98 C ATOM 1108 HE1 TRP X 163 8.744 27.731 16.668 1.00 0.00 H ATOM 1109 H TRP X 163 11.976 31.000 20.001 1.00 0.00 H ATOM 1110 N LEU X 164 9.711 29.320 21.682 1.00 9.81 N ATOM 1111 CA LEU X 164 8.981 28.269 22.370 1.00 9.19 C ATOM 1112 C LEU X 164 8.922 28.506 23.881 1.00 8.66 C ATOM 1113 O LEU X 164 8.202 27.802 24.581 1.00 8.80 O ATOM 1114 CB LEU X 164 9.594 26.908 22.057 1.00 9.56 C ATOM 1115 CG LEU X 164 9.633 26.581 20.549 1.00 9.59 C ATOM 1116 CD1 LEU X 164 10.177 25.166 20.359 1.00 10.35 C ATOM 1117 CD2 LEU X 164 8.258 26.739 19.895 1.00 11.72 C ATOM 1118 H LEU X 164 10.736 29.219 21.536 1.00 0.00 H ATOM 1119 N ASP X 165 9.670 29.477 24.386 1.00 8.89 N ATOM 1120 CA ASP X 165 9.657 29.781 25.811 1.00 9.32 C ATOM 1121 C ASP X 165 8.238 30.182 26.210 1.00 9.58 C ATOM 1122 O ASP X 165 7.603 31.008 25.549 1.00 11.20 O ATOM 1123 CB ASP X 165 10.643 30.905 26.150 1.00 9.62 C ATOM 1124 CG ASP X 165 12.098 30.502 26.001 1.00 9.65 C ATOM 1125 OD1 ASP X 165 12.396 29.299 25.897 1.00 10.07 O ATOM 1126 OD2 ASP X 165 12.955 31.419 26.024 1.00 11.72 O ATOM 1127 H ASP X 165 10.279 30.033 23.752 1.00 0.00 H ATOM 1128 N GLY X 166 7.757 29.610 27.310 1.00 9.04 N ATOM 1129 CA GLY X 166 6.423 29.895 27.794 1.00 9.67 C ATOM 1130 C GLY X 166 5.333 29.090 27.117 1.00 9.34 C ATOM 1131 O GLY X 166 4.159 29.217 27.499 1.00 10.53 O ATOM 1132 H GLY X 166 8.355 28.941 27.836 1.00 0.00 H ATOM 1133 N LYS X 167 5.698 28.267 26.131 1.00 8.88 N ATOM 1134 CA LYS X 167 4.755 27.439 25.384 1.00 9.31 C ATOM 1135 C LYS X 167 5.054 25.944 25.550 1.00 8.41 C ATOM 1136 O LYS X 167 4.132 25.144 25.613 1.00 10.27 O ATOM 1137 CB LYS X 167 4.760 27.813 23.893 1.00 11.25 C ATOM 1138 CG LYS X 167 4.181 29.188 23.653 1.00 15.55 C ATOM 1139 CD LYS X 167 4.115 29.541 22.179 1.00 18.27 C ATOM 1140 CE LYS X 167 3.337 30.821 21.944 1.00 20.70 C ATOM 1141 NZ LYS X 167 4.004 32.000 22.545 1.00 22.17 N ATOM 1142 HZ1 LYS X 167 4.094 31.860 23.572 1.00 0.00 H ATOM 1143 HZ2 LYS X 167 4.949 32.114 22.125 1.00 0.00 H ATOM 1144 HZ3 LYS X 167 3.436 32.851 22.359 1.00 0.00 H ATOM 1145 H LYS X 167 6.706 28.213 25.882 1.00 0.00 H ATOM 1146 N HIS X 168 6.331 25.577 25.614 1.00 7.46 N ATOM 1147 CA HIS X 168 6.755 24.186 25.783 1.00 7.06 C ATOM 1148 C HIS X 168 7.564 24.089 27.055 1.00 6.96 C ATOM 1149 O HIS X 168 8.417 24.944 27.322 1.00 8.04 O ATOM 1150 CB HIS X 168 7.577 23.723 24.570 1.00 7.65 C ATOM 1151 CG HIS X 168 6.758 23.683 23.321 1.00 7.78 C ATOM 1152 ND1 HIS X 168 6.115 22.548 22.887 1.00 7.91 N ATOM 1153 CD2 HIS X 168 6.384 24.674 22.476 1.00 8.92 C ATOM 1154 CE1 HIS X 168 5.389 22.839 21.815 1.00 9.29 C ATOM 1155 NE2 HIS X 168 5.542 24.122 21.536 1.00 9.95 N ATOM 1156 H HIS X 168 7.062 26.313 25.541 1.00 0.00 H ATOM 1157 N VAL X 169 7.305 23.045 27.840 1.00 6.58 N ATOM 1158 CA VAL X 169 8.017 22.836 29.096 1.00 6.57 C ATOM 1159 C VAL X 169 9.379 22.183 28.845 1.00 5.98 C ATOM 1160 O VAL X 169 9.463 21.020 28.417 1.00 6.58 O ATOM 1161 CB VAL X 169 7.182 21.953 30.059 1.00 6.59 C ATOM 1162 CG1 VAL X 169 7.956 21.687 31.327 1.00 7.15 C ATOM 1163 CG2 VAL X 169 5.858 22.641 30.382 1.00 7.56 C ATOM 1164 H VAL X 169 6.577 22.361 27.550 1.00 0.00 H ATOM 1165 N VAL X 170 10.434 22.939 29.147 1.00 6.16 N ATOM 1166 CA VAL X 170 11.803 22.425 29.109 1.00 6.12 C ATOM 1167 C VAL X 170 12.048 21.639 30.383 1.00 5.67 C ATOM 1168 O VAL X 170 11.713 22.074 31.493 1.00 6.62 O ATOM 1169 CB VAL X 170 12.805 23.591 29.001 1.00 6.60 C ATOM 1170 CG1 VAL X 170 14.227 23.075 29.107 1.00 7.00 C ATOM 1171 CG2 VAL X 170 12.585 24.366 27.699 1.00 7.87 C ATOM 1172 H VAL X 170 10.278 23.930 29.420 1.00 0.00 H ATOM 1173 N PHE X 171 12.677 20.467 30.235 1.00 5.98 N ATOM 1174 CA PHE X 171 12.869 19.595 31.379 1.00 6.33 C ATOM 1175 C PHE X 171 14.216 18.876 31.406 1.00 6.31 C ATOM 1176 O PHE X 171 14.424 18.048 32.296 1.00 7.18 O ATOM 1177 CB PHE X 171 11.703 18.596 31.528 1.00 6.66 C ATOM 1178 CG PHE X 171 11.601 17.584 30.424 1.00 6.40 C ATOM 1179 CD1 PHE X 171 10.998 17.903 29.225 1.00 6.52 C ATOM 1180 CD2 PHE X 171 12.094 16.297 30.608 1.00 7.00 C ATOM 1181 CE1 PHE X 171 10.899 16.952 28.216 1.00 7.07 C ATOM 1182 CE2 PHE X 171 11.999 15.350 29.608 1.00 7.45 C ATOM 1183 CZ PHE X 171 11.395 15.680 28.410 1.00 7.33 C ATOM 1184 H PHE X 171 13.029 20.181 29.299 1.00 0.00 H ATOM 1185 N GLY X 172 15.147 19.189 30.510 1.00 6.78 N ATOM 1186 CA GLY X 172 16.441 18.544 30.575 1.00 7.69 C ATOM 1187 C GLY X 172 17.349 19.017 29.473 1.00 6.68 C ATOM 1188 O GLY X 172 17.050 19.991 28.765 1.00 6.55 O ATOM 1189 H GLY X 172 14.947 19.891 29.769 1.00 0.00 H ATOM 1190 N HIS X 173 18.470 18.322 29.324 1.00 6.60 N ATOM 1191 CA HIS X 173 19.445 18.669 28.299 1.00 6.84 C ATOM 1192 C HIS X 173 20.333 17.470 28.001 1.00 6.38 C ATOM 1193 O HIS X 173 20.489 16.558 28.820 1.00 7.07 O ATOM 1194 CB HIS X 173 20.246 19.953 28.559 1.00 9.31 C ATOM 1195 CG HIS X 173 21.292 19.795 29.598 1.00 9.36 C ATOM 1196 ND1 HIS X 173 21.018 19.907 30.940 1.00 11.69 N ATOM 1197 CD2 HIS X 173 22.610 19.510 29.495 1.00 10.28 C ATOM 1198 CE1 HIS X 173 22.129 19.700 31.624 1.00 12.14 C ATOM 1199 NE2 HIS X 173 23.115 19.470 30.772 1.00 11.54 N ATOM 1200 H HIS X 173 18.656 17.514 29.952 1.00 0.00 H ATOM 1201 N VAL X 174 20.933 17.506 26.815 1.00 6.80 N ATOM 1202 CA VAL X 174 21.883 16.491 26.384 1.00 6.96 C ATOM 1203 C VAL X 174 23.210 16.629 27.138 1.00 7.17 C ATOM 1204 O VAL X 174 23.867 17.673 27.089 1.00 8.91 O ATOM 1205 CB VAL X 174 22.138 16.603 24.868 1.00 7.48 C ATOM 1206 CG1 VAL X 174 23.239 15.652 24.437 1.00 8.71 C ATOM 1207 CG2 VAL X 174 20.860 16.321 24.084 1.00 8.33 C ATOM 1208 H VAL X 174 20.715 18.291 26.169 1.00 0.00 H ATOM 1209 N ILE X 175 23.610 15.557 27.804 1.00 6.96 N ATOM 1210 CA ILE X 175 24.891 15.431 28.517 1.00 7.45 C ATOM 1211 C ILE X 175 25.990 14.915 27.600 1.00 7.55 C ATOM 1212 O ILE X 175 27.136 15.334 27.702 1.00 9.25 O ATOM 1213 CB ILE X 175 24.704 14.453 29.719 1.00 8.46 C ATOM 1214 CG1 ILE X 175 23.801 15.087 30.783 1.00 8.29 C ATOM 1215 CG2 ILE X 175 26.047 14.023 30.302 1.00 9.12 C ATOM 1216 CD1 ILE X 175 24.445 16.184 31.578 1.00 9.49 C ATOM 1217 H ILE X 175 22.968 14.739 27.825 1.00 0.00 H ATOM 1218 N GLU X 176 25.638 13.938 26.773 1.00 7.89 N ATOM 1219 CA GLU X 176 26.536 13.231 25.879 1.00 8.35 C ATOM 1220 C GLU X 176 25.744 12.860 24.628 1.00 7.75 C ATOM 1221 O GLU X 176 24.560 12.526 24.742 1.00 7.88 O ATOM 1222 CB GLU X 176 27.012 11.953 26.576 1.00 9.38 C ATOM 1223 CG GLU X 176 28.119 11.257 25.876 1.00 10.46 C ATOM 1224 CD GLU X 176 28.326 9.876 26.437 1.00 10.16 C ATOM 1225 OE1 GLU X 176 28.692 9.759 27.625 1.00 10.35 O ATOM 1226 OE2 GLU X 176 28.122 8.906 25.678 1.00 10.97 O ATOM 1227 H GLU X 176 24.637 13.656 26.765 1.00 0.00 H ATOM 1228 N GLY X 177 26.391 12.845 23.467 1.00 9.07 N ATOM 1229 CA GLY X 177 25.742 12.370 22.272 1.00 9.26 C ATOM 1230 C GLY X 177 25.172 13.446 21.380 1.00 8.67 C ATOM 1231 O GLY X 177 24.339 13.139 20.519 1.00 9.18 O ATOM 1232 H GLY X 177 27.375 13.179 23.421 1.00 0.00 H ATOM 1233 N MET X 178 25.614 14.691 21.500 1.00 9.53 N ATOM 1234 CA MET X 178 25.176 15.686 20.532 1.00 10.29 C ATOM 1235 C MET X 178 25.562 15.270 19.099 1.00 10.03 C ATOM 1236 O MET X 178 24.854 15.601 18.165 1.00 10.58 O ATOM 1237 CB MET X 178 25.713 17.070 20.880 1.00 12.15 C ATOM 1238 CG MET X 178 24.909 18.194 20.246 1.00 12.17 C ATOM 1239 SD MET X 178 23.167 18.278 20.768 1.00 12.83 S ATOM 1240 CE MET X 178 22.470 19.201 19.414 1.00 12.95 C ATOM 1241 H MET X 178 26.261 14.951 22.271 1.00 0.00 H ATOM 1242 N ASP X 179 26.662 14.530 18.930 1.00 10.29 N ATOM 1243 CA ASP X 179 27.011 14.031 17.597 1.00 10.47 C ATOM 1244 C ASP X 179 25.908 13.147 17.030 1.00 9.66 C ATOM 1245 O ASP X 179 25.639 13.178 15.829 1.00 10.39 O ATOM 1246 CB ASP X 179 28.346 13.262 17.589 1.00 11.04 C ATOM 1247 CG ASP X 179 28.323 11.976 18.452 1.00 11.87 C ATOM 1248 OD1 ASP X 179 27.863 12.033 19.608 1.00 11.87 O ATOM 1249 OD2 ASP X 179 28.773 10.897 17.977 1.00 14.15 O ATOM 1250 H ASP X 179 27.270 14.308 19.744 1.00 0.00 H ATOM 1251 N VAL X 180 25.294 12.332 17.886 1.00 9.49 N ATOM 1252 CA VAL X 180 24.181 11.485 17.473 1.00 9.33 C ATOM 1253 C VAL X 180 22.978 12.353 17.096 1.00 8.78 C ATOM 1254 O VAL X 180 22.324 12.119 16.078 1.00 9.62 O ATOM 1255 CB VAL X 180 23.827 10.481 18.582 1.00 8.64 C ATOM 1256 CG1 VAL X 180 22.619 9.656 18.197 1.00 10.01 C ATOM 1257 CG2 VAL X 180 25.034 9.593 18.907 1.00 10.71 C ATOM 1258 H VAL X 180 25.617 12.299 18.874 1.00 0.00 H ATOM 1259 N VAL X 181 22.693 13.368 17.908 1.00 8.62 N ATOM 1260 CA VAL X 181 21.603 14.295 17.591 1.00 9.01 C ATOM 1261 C VAL X 181 21.846 14.983 16.237 1.00 8.88 C ATOM 1262 O VAL X 181 20.917 15.126 15.440 1.00 9.64 O ATOM 1263 CB VAL X 181 21.408 15.323 18.715 1.00 9.32 C ATOM 1264 CG1 VAL X 181 20.343 16.342 18.339 1.00 10.87 C ATOM 1265 CG2 VAL X 181 21.039 14.611 20.028 1.00 10.02 C ATOM 1266 H VAL X 181 23.249 13.505 18.776 1.00 0.00 H ATOM 1267 N LYS X 182 23.088 15.397 15.953 1.00 9.14 N ATOM 1268 CA LYS X 182 23.379 16.052 14.679 1.00 9.37 C ATOM 1269 C LYS X 182 23.214 15.072 13.517 1.00 9.54 C ATOM 1270 O LYS X 182 22.794 15.470 12.431 1.00 10.50 O ATOM 1271 CB LYS X 182 24.767 16.690 14.674 1.00 10.29 C ATOM 1272 CG LYS X 182 24.971 17.807 15.678 1.00 11.20 C ATOM 1273 CD LYS X 182 24.166 19.053 15.395 1.00 11.67 C ATOM 1274 CE LYS X 182 24.763 19.896 14.283 1.00 11.21 C ATOM 1275 NZ LYS X 182 23.856 21.055 14.052 1.00 10.96 N ATOM 1276 HZ1 LYS X 182 22.915 20.708 13.777 1.00 0.00 H ATOM 1277 HZ2 LYS X 182 23.779 21.613 14.926 1.00 0.00 H ATOM 1278 HZ3 LYS X 182 24.243 21.651 13.292 1.00 0.00 H ATOM 1279 H LYS X 182 23.851 15.251 16.644 1.00 0.00 H ATOM 1280 N LYS X 183 23.519 13.795 13.724 1.00 9.84 N ATOM 1281 CA LYS X 183 23.254 12.803 12.683 1.00 9.95 C ATOM 1282 C LYS X 183 21.757 12.701 12.445 1.00 10.12 C ATOM 1283 O LYS X 183 21.309 12.724 11.295 1.00 11.57 O ATOM 1284 CB LYS X 183 23.815 11.423 13.033 1.00 10.31 C ATOM 1285 CG LYS X 183 25.329 11.296 12.953 1.00 11.22 C ATOM 1286 CD LYS X 183 25.882 11.361 11.525 1.00 13.31 C ATOM 1287 CE LYS X 183 25.483 10.143 10.722 1.00 14.72 C ATOM 1288 NZ LYS X 183 26.030 10.182 9.330 1.00 14.75 N ATOM 1289 HZ1 LYS X 183 25.669 11.026 8.841 1.00 0.00 H ATOM 1290 HZ2 LYS X 183 27.069 10.219 9.368 1.00 0.00 H ATOM 1291 HZ3 LYS X 183 25.731 9.328 8.817 1.00 0.00 H ATOM 1292 H LYS X 183 23.946 13.502 14.626 1.00 0.00 H ATOM 1293 N ILE X 184 20.969 12.588 13.511 1.00 9.80 N ATOM 1294 CA ILE X 184 19.517 12.511 13.360 1.00 10.10 C ATOM 1295 C ILE X 184 19.029 13.738 12.578 1.00 9.88 C ATOM 1296 O ILE X 184 18.244 13.609 11.617 1.00 11.02 O ATOM 1297 CB ILE X 184 18.824 12.425 14.745 1.00 9.77 C ATOM 1298 CG1 ILE X 184 19.185 11.116 15.466 1.00 10.63 C ATOM 1299 CG2 ILE X 184 17.309 12.570 14.603 1.00 11.01 C ATOM 1300 CD1 ILE X 184 18.762 11.103 16.937 1.00 11.92 C ATOM 1301 H ILE X 184 21.390 12.554 14.461 1.00 0.00 H ATOM 1302 N GLU X 185 19.473 14.920 12.995 1.00 9.78 N ATOM 1303 CA GLU X 185 19.087 16.168 12.354 1.00 10.58 C ATOM 1304 C GLU X 185 19.342 16.144 10.849 1.00 11.26 C ATOM 1305 O GLU X 185 18.526 16.630 10.055 1.00 12.54 O ATOM 1306 CB GLU X 185 19.854 17.321 13.005 1.00 10.67 C ATOM 1307 CG GLU X 185 19.482 18.697 12.491 1.00 10.12 C ATOM 1308 CD GLU X 185 20.404 19.819 12.961 1.00 9.75 C ATOM 1309 OE1 GLU X 185 21.598 19.560 13.249 1.00 10.22 O ATOM 1310 OE2 GLU X 185 19.915 20.967 13.047 1.00 9.88 O ATOM 1311 H GLU X 185 20.120 14.954 13.809 1.00 0.00 H ATOM 1312 N SER X 186 20.471 15.567 10.454 1.00 11.41 N ATOM 1313 CA SER X 186 20.875 15.537 9.052 1.00 13.01 C ATOM 1314 C SER X 186 19.965 14.653 8.204 1.00 13.12 C ATOM 1315 O SER X 186 20.010 14.726 6.984 1.00 15.09 O ATOM 1316 CB SER X 186 22.330 15.072 8.915 1.00 13.15 C ATOM 1317 OG SER X 186 22.466 13.660 9.026 1.00 12.95 O ATOM 1318 HG SER X 186 22.135 13.366 9.911 1.00 0.00 H ATOM 1319 H SER X 186 21.086 15.123 11.165 1.00 0.00 H ATOM 1320 N PHE X 187 19.143 13.824 8.840 1.00 12.26 N ATOM 1321 CA PHE X 187 18.196 12.971 8.142 1.00 13.25 C ATOM 1322 C PHE X 187 16.796 13.595 8.110 1.00 13.70 C ATOM 1323 O PHE X 187 15.832 12.937 7.703 1.00 16.74 O ATOM 1324 CB PHE X 187 18.115 11.599 8.798 1.00 13.85 C ATOM 1325 CG PHE X 187 19.435 10.905 8.939 1.00 15.59 C ATOM 1326 CD1 PHE X 187 20.404 11.012 7.969 1.00 17.77 C ATOM 1327 CD2 PHE X 187 19.710 10.152 10.069 1.00 17.69 C ATOM 1328 CE1 PHE X 187 21.619 10.370 8.122 1.00 19.44 C ATOM 1329 CE2 PHE X 187 20.915 9.517 10.219 1.00 19.61 C ATOM 1330 CZ PHE X 187 21.865 9.627 9.246 1.00 19.32 C ATOM 1331 H PHE X 187 19.179 13.784 9.879 1.00 0.00 H ATOM 1332 N GLY X 188 16.663 14.854 8.518 1.00 13.43 N ATOM 1333 CA GLY X 188 15.392 15.544 8.417 1.00 13.55 C ATOM 1334 C GLY X 188 15.244 16.358 7.148 1.00 13.86 C ATOM 1335 O GLY X 188 16.035 16.244 6.204 1.00 16.68 O ATOM 1336 H GLY X 188 17.485 15.352 8.916 1.00 0.00 H ATOM 1337 N SER X 189 14.206 17.181 7.133 1.00 13.50 N ATOM 1338 CA SER X 189 13.901 18.025 5.996 1.00 14.22 C ATOM 1339 C SER X 189 13.062 19.210 6.457 1.00 14.15 C ATOM 1340 O SER X 189 12.570 19.223 7.569 1.00 13.21 O ATOM 1341 CB SER X 189 13.140 17.230 4.935 1.00 13.95 C ATOM 1342 OG SER X 189 11.849 16.853 5.390 1.00 13.51 O ATOM 1343 HG SER X 189 11.937 16.290 6.200 1.00 0.00 H ATOM 1344 H SER X 189 13.588 17.223 7.968 1.00 0.00 H ATOM 1345 N LYS X 190 12.865 20.191 5.590 1.00 15.80 N ATOM 1346 CA LYS X 190 12.088 21.369 5.964 1.00 16.09 C ATOM 1347 C LYS X 190 10.668 20.993 6.374 1.00 15.79 C ATOM 1348 O LYS X 190 10.081 21.612 7.267 1.00 17.26 O ATOM 1349 CB LYS X 190 12.058 22.373 4.817 1.00 18.47 C ATOM 1350 CG LYS X 190 13.354 23.153 4.668 1.00 20.16 C ATOM 1351 CD LYS X 190 13.269 24.181 3.558 1.00 21.57 C ATOM 1352 CE LYS X 190 13.105 23.505 2.222 1.00 22.82 C ATOM 1353 NZ LYS X 190 13.051 24.478 1.123 1.00 23.07 N ATOM 1354 HZ1 LYS X 190 12.244 25.118 1.268 1.00 0.00 H ATOM 1355 HZ2 LYS X 190 13.933 25.029 1.106 1.00 0.00 H ATOM 1356 HZ3 LYS X 190 12.938 23.974 0.220 1.00 0.00 H ATOM 1357 H LYS X 190 13.268 20.122 4.634 1.00 0.00 H ATOM 1358 N SER X 191 10.105 19.983 5.718 1.00 16.33 N ATOM 1359 CA SER X 191 8.749 19.551 6.045 1.00 17.43 C ATOM 1360 C SER X 191 8.687 18.734 7.326 1.00 16.34 C ATOM 1361 O SER X 191 7.592 18.492 7.852 1.00 18.08 O ATOM 1362 CB SER X 191 8.173 18.695 4.922 1.00 17.51 C ATOM 1363 OG SER X 191 8.768 17.415 4.935 1.00 18.13 O ATOM 1364 HG SER X 191 9.746 17.505 4.807 1.00 0.00 H ATOM 1365 H SER X 191 10.634 19.497 4.966 1.00 0.00 H ATOM 1366 N GLY X 192 9.848 18.287 7.809 1.00 13.64 N ATOM 1367 CA GLY X 192 9.910 17.409 8.975 1.00 12.27 C ATOM 1368 C GLY X 192 9.978 15.927 8.642 1.00 11.69 C ATOM 1369 O GLY X 192 10.314 15.113 9.503 1.00 12.15 O ATOM 1370 H GLY X 192 10.733 18.572 7.343 1.00 0.00 H ATOM 1371 N ARG X 193 9.640 15.551 7.414 1.00 13.53 N ATOM 1372 CA ARG X 193 9.736 14.165 7.006 1.00 14.54 C ATOM 1373 C ARG X 193 11.176 13.681 7.060 1.00 14.55 C ATOM 1374 O ARG X 193 12.090 14.351 6.573 1.00 15.66 O ATOM 1375 CB ARG X 193 9.203 14.024 5.579 1.00 15.60 C ATOM 1376 CG ARG X 193 9.176 12.605 5.043 1.00 17.39 C ATOM 1377 CD ARG X 193 8.168 11.750 5.784 1.00 20.13 C ATOM 1378 NE ARG X 193 7.757 10.587 5.005 1.00 22.87 N ATOM 1379 CZ ARG X 193 8.410 9.429 4.969 1.00 24.82 C ATOM 1380 NH1 ARG X 193 9.525 9.256 5.670 1.00 25.52 N ATOM 1381 NH2 ARG X 193 7.941 8.438 4.221 1.00 25.61 N ATOM 1382 HE ARG X 193 6.890 10.670 4.436 1.00 0.00 H ATOM 1383 HH12 ARG X 193 10.026 8.346 5.633 1.00 0.00 H ATOM 1384 HH11 ARG X 193 9.897 10.031 6.256 1.00 0.00 H ATOM 1385 HH22 ARG X 193 8.445 7.529 4.187 1.00 0.00 H ATOM 1386 HH21 ARG X 193 7.070 8.571 3.669 1.00 0.00 H ATOM 1387 H ARG X 193 9.301 16.263 6.735 1.00 0.00 H ATOM 1388 N THR X 194 11.375 12.501 7.628 1.00 15.05 N ATOM 1389 CA THR X 194 12.709 11.921 7.736 1.00 15.08 C ATOM 1390 C THR X 194 13.063 11.109 6.489 1.00 15.85 C ATOM 1391 O THR X 194 12.187 10.511 5.869 1.00 17.98 O ATOM 1392 CB THR X 194 12.858 11.069 9.018 1.00 15.84 C ATOM 1393 OG1 THR X 194 11.884 10.021 9.018 1.00 16.53 O ATOM 1394 CG2 THR X 194 12.661 11.936 10.249 1.00 15.96 C ATOM 1395 HG1 THR X 194 10.976 10.416 8.990 1.00 0.00 H ATOM 1396 H THR X 194 10.561 11.976 8.006 1.00 0.00 H ATOM 1397 N SER X 195 14.344 11.115 6.120 1.00 15.63 N ATOM 1398 CA SER X 195 14.819 10.407 4.941 1.00 16.03 C ATOM 1399 C SER X 195 15.396 9.036 5.287 1.00 16.10 C ATOM 1400 O SER X 195 15.769 8.283 4.392 1.00 18.17 O ATOM 1401 CB SER X 195 15.874 11.241 4.214 1.00 15.58 C ATOM 1402 OG SER X 195 17.001 11.478 5.039 1.00 16.27 O ATOM 1403 HG SER X 195 16.717 11.967 5.851 1.00 0.00 H ATOM 1404 H SER X 195 15.029 11.645 6.696 1.00 0.00 H ATOM 1405 N LYS X 196 15.497 8.741 6.580 1.00 15.71 N ATOM 1406 CA LYS X 196 15.822 7.416 7.090 1.00 14.97 C ATOM 1407 C LYS X 196 14.852 7.116 8.233 1.00 14.53 C ATOM 1408 O LYS X 196 14.293 8.028 8.822 1.00 16.37 O ATOM 1409 CB LYS X 196 17.253 7.365 7.643 1.00 15.51 C ATOM 1410 CG LYS X 196 18.332 7.675 6.611 1.00 17.07 C ATOM 1411 CD LYS X 196 19.717 7.324 7.132 1.00 18.17 C ATOM 1412 CE LYS X 196 20.806 7.577 6.110 1.00 19.22 C ATOM 1413 NZ LYS X 196 22.085 6.917 6.482 1.00 19.78 N ATOM 1414 HZ1 LYS X 196 22.409 7.284 7.400 1.00 0.00 H ATOM 1415 HZ2 LYS X 196 21.936 5.890 6.551 1.00 0.00 H ATOM 1416 HZ3 LYS X 196 22.801 7.117 5.755 1.00 0.00 H ATOM 1417 H LYS X 196 15.334 9.503 7.269 1.00 0.00 H ATOM 1418 N LYS X 197 14.653 5.839 8.538 1.00 14.08 N ATOM 1419 CA LYS X 197 13.816 5.414 9.653 1.00 14.13 C ATOM 1420 C LYS X 197 14.634 5.490 10.940 1.00 13.11 C ATOM 1421 O LYS X 197 15.561 4.701 11.116 1.00 14.01 O ATOM 1422 CB LYS X 197 13.339 3.981 9.394 1.00 17.17 C ATOM 1423 CG LYS X 197 12.531 3.366 10.516 1.00 20.02 C ATOM 1424 CD LYS X 197 11.336 4.228 10.885 1.00 21.65 C ATOM 1425 CE LYS X 197 10.080 3.398 11.074 1.00 22.30 C ATOM 1426 NZ LYS X 197 10.266 2.264 12.013 1.00 22.83 N ATOM 1427 HZ1 LYS X 197 11.009 1.633 11.650 1.00 0.00 H ATOM 1428 HZ2 LYS X 197 10.545 2.630 12.946 1.00 0.00 H ATOM 1429 HZ3 LYS X 197 9.374 1.737 12.099 1.00 0.00 H ATOM 1430 H LYS X 197 15.114 5.111 7.956 1.00 0.00 H ATOM 1431 N ILE X 198 14.290 6.422 11.822 1.00 11.47 N ATOM 1432 CA ILE X 198 15.070 6.707 13.016 1.00 10.90 C ATOM 1433 C ILE X 198 14.342 6.132 14.228 1.00 10.96 C ATOM 1434 O ILE X 198 13.259 6.602 14.576 1.00 12.08 O ATOM 1435 CB ILE X 198 15.246 8.226 13.196 1.00 10.65 C ATOM 1436 CG1 ILE X 198 15.782 8.885 11.917 1.00 11.11 C ATOM 1437 CG2 ILE X 198 16.147 8.510 14.381 1.00 10.63 C ATOM 1438 CD1 ILE X 198 17.161 8.416 11.502 1.00 11.68 C ATOM 1439 H ILE X 198 13.424 6.972 11.651 1.00 0.00 H ATOM 1440 N VAL X 199 14.932 5.120 14.867 1.00 10.68 N ATOM 1441 CA VAL X 199 14.262 4.336 15.907 1.00 10.85 C ATOM 1442 C VAL X 199 15.057 4.358 17.216 1.00 10.45 C ATOM 1443 O VAL X 199 16.278 4.181 17.214 1.00 11.11 O ATOM 1444 CB VAL X 199 14.100 2.859 15.440 1.00 11.04 C ATOM 1445 CG1 VAL X 199 13.516 1.986 16.543 1.00 12.52 C ATOM 1446 CG2 VAL X 199 13.247 2.791 14.177 1.00 12.73 C ATOM 1447 H VAL X 199 15.911 4.877 14.615 1.00 0.00 H ATOM 1448 N ILE X 200 14.347 4.575 18.321 1.00 10.34 N ATOM 1449 CA ILE X 200 14.902 4.396 19.657 1.00 10.03 C ATOM 1450 C ILE X 200 14.860 2.900 19.936 1.00 10.26 C ATOM 1451 O ILE X 200 13.822 2.353 20.292 1.00 11.91 O ATOM 1452 CB ILE X 200 14.102 5.193 20.701 1.00 9.99 C ATOM 1453 CG1 ILE X 200 14.157 6.691 20.380 1.00 11.01 C ATOM 1454 CG2 ILE X 200 14.621 4.887 22.094 1.00 11.07 C ATOM 1455 CD1 ILE X 200 13.168 7.544 21.163 1.00 11.82 C ATOM 1456 H ILE X 200 13.358 4.884 18.228 1.00 0.00 H ATOM 1457 N THR X 201 15.989 2.225 19.732 1.00 9.99 N ATOM 1458 CA THR X 201 16.018 0.775 19.854 1.00 11.13 C ATOM 1459 C THR X 201 16.026 0.319 21.311 1.00 11.42 C ATOM 1460 O THR X 201 15.506 -0.753 21.631 1.00 13.76 O ATOM 1461 CB THR X 201 17.223 0.157 19.132 1.00 13.23 C ATOM 1462 OG1 THR X 201 18.439 0.657 19.700 1.00 13.39 O ATOM 1463 CG2 THR X 201 17.180 0.440 17.641 1.00 13.00 C ATOM 1464 HG1 THR X 201 18.475 0.419 20.660 1.00 0.00 H ATOM 1465 H THR X 201 16.858 2.739 19.483 1.00 0.00 H ATOM 1466 N ASP X 202 16.621 1.121 22.183 1.00 10.84 N ATOM 1467 CA ASP X 202 16.743 0.818 23.601 1.00 11.23 C ATOM 1468 C ASP X 202 16.766 2.146 24.340 1.00 9.53 C ATOM 1469 O ASP X 202 17.179 3.170 23.775 1.00 9.90 O ATOM 1470 CB ASP X 202 18.053 0.069 23.909 1.00 10.96 C ATOM 1471 CG ASP X 202 18.243 -1.177 23.070 1.00 12.62 C ATOM 1472 OD1 ASP X 202 17.854 -2.265 23.540 1.00 14.15 O ATOM 1473 OD2 ASP X 202 18.812 -1.077 21.957 1.00 12.30 O ATOM 1474 H ASP X 202 17.022 2.015 21.835 1.00 0.00 H ATOM 1475 N CYS X 203 16.381 2.110 25.609 1.00 8.80 N ATOM 1476 CA CYS X 203 16.413 3.297 26.445 1.00 7.82 C ATOM 1477 C CYS X 203 16.329 2.864 27.881 1.00 7.68 C ATOM 1478 O CYS X 203 15.931 1.731 28.181 1.00 8.94 O ATOM 1479 CB CYS X 203 15.296 4.285 26.060 1.00 8.08 C ATOM 1480 SG CYS X 203 13.651 3.556 25.849 1.00 8.58 S ATOM 1481 H CYS X 203 16.049 1.212 26.014 1.00 0.00 H ATOM 1482 N GLY X 204 16.690 3.757 28.788 1.00 7.61 N ATOM 1483 CA GLY X 204 16.716 3.380 30.184 1.00 7.82 C ATOM 1484 C GLY X 204 17.315 4.450 31.056 1.00 7.30 C ATOM 1485 O GLY X 204 17.535 5.574 30.610 1.00 7.97 O ATOM 1486 H GLY X 204 16.953 4.721 28.500 1.00 0.00 H ATOM 1487 N GLN X 205 17.549 4.081 32.307 1.00 7.59 N ATOM 1488 CA GLN X 205 18.088 4.983 33.307 1.00 7.47 C ATOM 1489 C GLN X 205 19.494 4.559 33.697 1.00 7.49 C ATOM 1490 O GLN X 205 19.750 3.397 33.973 1.00 9.56 O ATOM 1491 CB GLN X 205 17.181 5.012 34.534 1.00 7.78 C ATOM 1492 CG GLN X 205 17.657 5.962 35.608 1.00 8.42 C ATOM 1493 CD GLN X 205 16.626 6.217 36.683 1.00 8.79 C ATOM 1494 OE1 GLN X 205 15.585 5.549 36.745 1.00 9.23 O ATOM 1495 NE2 GLN X 205 16.896 7.214 37.519 1.00 10.31 N ATOM 1496 HE22 GLN X 205 17.785 7.745 37.425 1.00 0.00 H ATOM 1497 HE21 GLN X 205 16.218 7.463 38.267 1.00 0.00 H ATOM 1498 H GLN X 205 17.337 3.101 32.584 1.00 0.00 H ATOM 1499 N LEU X 206 20.397 5.528 33.718 1.00 7.91 N ATOM 1500 CA LEU X 206 21.781 5.335 34.130 1.00 8.38 C ATOM 1501 C LEU X 206 22.021 5.628 35.613 1.00 8.83 C ATOM 1502 O LEU X 206 22.877 4.971 36.228 1.00 9.58 O ATOM 1503 CB LEU X 206 22.705 6.235 33.317 1.00 8.53 C ATOM 1504 CG LEU X 206 22.761 5.952 31.831 1.00 8.88 C ATOM 1505 CD1 LEU X 206 23.646 6.966 31.142 1.00 10.98 C ATOM 1506 CD2 LEU X 206 23.220 4.549 31.517 1.00 9.97 C ATOM 1507 H LEU X 206 20.101 6.481 33.424 1.00 0.00 H ATOM 1508 N SER X 207 21.333 6.643 36.160 1.00 9.49 N ATOM 1509 CA SER X 207 21.440 7.015 37.578 1.00 10.16 C ATOM 1510 C SER X 207 20.285 7.909 37.973 1.00 10.26 C ATOM 1511 O SER X 207 20.134 8.167 39.185 1.00 10.46 O ATOM 1512 CB SER X 207 22.749 7.725 37.888 1.00 10.67 C ATOM 1513 OG SER X 207 22.860 8.936 37.163 1.00 11.20 O ATOM 1514 OXT SER X 207 19.539 8.354 37.100 1.00 9.77 O ATOM 1515 HG SER X 207 22.110 9.535 37.406 1.00 0.00 H ATOM 1516 H SER X 207 20.694 7.192 35.551 1.00 0.00 H TER 1517 SER X 207 HETATM 1518 O HOH 1 16.087 12.415 41.351 1.00 19.67 O HETATM 1519 O HOH 2 21.550 -1.024 18.853 1.00 30.59 O HETATM 1520 O HOH 3 28.819 9.652 9.666 1.00 17.97 O HETATM 1521 O HOH 4 28.558 0.221 14.583 1.00 15.84 O HETATM 1522 O HOH 5 -2.305 30.173 25.300 1.00 22.61 O HETATM 1523 O HOH 6 24.754 1.822 20.036 1.00 14.88 O HETATM 1524 O HOH 7 20.656 1.530 18.261 1.00 17.82 O HETATM 1525 O HOH 8 16.067 -0.024 13.910 1.00 31.15 O HETATM 1526 O HOH 9 10.927 16.434 43.802 1.00 26.51 O HETATM 1527 O HOH 10 13.984 4.110 5.262 1.00 26.92 O HETATM 1528 O HOH 11 12.154 14.341 42.090 1.00 18.23 O HETATM 1529 O HOH 12 8.857 12.735 41.527 1.00 26.98 O HETATM 1530 O HOH 13 21.782 7.711 41.374 1.00 23.33 O HETATM 1531 O HOH 14 14.182 10.594 40.281 1.00 19.53 O HETATM 1532 O HOH 15 12.512 9.867 42.318 1.00 21.94 O HETATM 1533 O HOH 16 27.607 2.701 15.593 1.00 18.04 O HETATM 1534 O HOH 17 22.765 3.088 18.894 1.00 13.20 O HETATM 1535 O HOH 18 25.914 5.523 28.918 1.00 19.36 O HETATM 1536 O HOH 19 27.345 7.135 21.294 1.00 18.55 O HETATM 1537 O HOH 20 15.509 22.923 43.423 1.00 27.66 O HETATM 1538 O HOH 21 10.115 24.324 40.329 1.00 11.26 O HETATM 1539 O HOH 22 10.864 13.587 39.819 1.00 12.41 O HETATM 1540 O HOH 23 5.921 16.290 42.315 1.00 20.76 O HETATM 1541 O HOH 24 7.758 14.183 30.434 1.00 8.92 O HETATM 1542 O HOH 25 4.812 19.786 32.174 1.00 8.26 O HETATM 1543 O HOH 26 10.837 8.165 40.947 1.00 21.07 O HETATM 1544 O HOH 27 12.180 11.510 38.559 1.00 12.40 O HETATM 1545 O HOH 28 6.282 7.007 39.049 1.00 20.54 O HETATM 1546 O HOH 29 0.822 27.078 33.139 1.00 28.99 O HETATM 1547 O HOH 30 3.220 21.691 39.457 1.00 19.33 O HETATM 1548 O HOH 31 17.848 31.012 30.741 1.00 16.66 O HETATM 1549 O HOH 32 10.763 2.068 27.170 1.00 9.74 O HETATM 1550 O HOH 33 11.250 -1.503 33.385 1.00 18.29 O HETATM 1551 O HOH 34 12.737 -2.121 29.026 1.00 16.83 O HETATM 1552 O HOH 35 -4.317 28.041 29.651 1.00 18.69 O HETATM 1553 O HOH 36 7.893 -1.563 28.967 1.00 17.18 O HETATM 1554 O HOH 37 9.648 -3.400 32.298 1.00 18.04 O HETATM 1555 O HOH 38 11.312 3.243 40.001 1.00 25.31 O HETATM 1556 O HOH 39 7.129 2.386 38.785 1.00 22.08 O HETATM 1557 O HOH 40 25.160 21.379 18.538 1.00 24.27 O HETATM 1558 O HOH 41 6.827 3.134 31.810 1.00 10.52 O HETATM 1559 O HOH 42 18.948 7.065 2.759 1.00 30.61 O HETATM 1560 O HOH 43 5.143 0.998 24.679 1.00 16.27 O HETATM 1561 O HOH 44 8.634 0.289 27.070 1.00 13.82 O HETATM 1562 O HOH 45 7.904 0.163 24.375 1.00 15.51 O HETATM 1563 O HOH 46 10.787 -0.761 16.681 1.00 23.15 O HETATM 1564 O HOH 47 19.795 24.535 33.221 1.00 18.64 O HETATM 1565 O HOH 48 10.022 7.929 20.013 1.00 12.68 O HETATM 1566 O HOH 49 27.953 4.632 25.144 1.00 27.13 O HETATM 1567 O HOH 50 7.101 6.295 16.934 1.00 17.51 O HETATM 1568 O HOH 51 7.540 7.383 12.449 1.00 21.21 O HETATM 1569 O HOH 52 7.295 9.332 17.521 1.00 12.41 O HETATM 1570 O HOH 53 16.385 0.827 35.595 1.00 11.36 O HETATM 1571 O HOH 54 12.062 8.248 11.348 1.00 13.34 O HETATM 1572 O HOH 55 9.219 11.170 9.272 1.00 16.48 O HETATM 1573 O HOH 56 6.885 14.637 10.076 1.00 19.35 O HETATM 1574 O HOH 57 21.241 19.293 9.526 1.00 16.00 O HETATM 1575 O HOH 58 17.024 33.087 28.833 1.00 21.93 O HETATM 1576 O HOH 59 17.515 32.405 26.260 1.00 19.91 O HETATM 1577 O HOH 60 15.149 22.812 7.740 1.00 23.78 O HETATM 1578 O HOH 61 21.592 21.955 9.919 1.00 26.32 O HETATM 1579 O HOH 62 13.397 -1.702 17.522 1.00 25.90 O HETATM 1580 O HOH 63 19.472 4.165 38.067 1.00 21.50 O HETATM 1581 O HOH 64 4.875 1.229 21.919 1.00 11.38 O HETATM 1582 O HOH 65 -3.166 3.411 17.746 1.00 22.17 O HETATM 1583 O HOH 66 -5.466 6.789 17.498 1.00 24.41 O HETATM 1584 O HOH 67 5.628 9.000 10.881 1.00 17.93 O HETATM 1585 O HOH 68 4.789 13.752 11.515 1.00 17.26 O HETATM 1586 O HOH 69 4.121 11.380 10.866 1.00 24.88 O HETATM 1587 O HOH 70 0.380 12.732 11.972 1.00 11.29 O HETATM 1588 O HOH 71 2.327 12.675 23.503 1.00 9.75 O HETATM 1589 O HOH 72 -6.872 12.113 25.619 1.00 26.83 O HETATM 1590 O HOH 73 -3.799 7.102 29.002 1.00 21.94 O HETATM 1591 O HOH 74 -2.742 9.987 22.438 1.00 20.53 O HETATM 1592 O HOH 75 2.845 18.902 35.453 1.00 11.40 O HETATM 1593 O HOH 76 -0.044 26.450 30.641 1.00 14.52 O HETATM 1594 O HOH 77 2.798 26.139 34.312 1.00 23.62 O HETATM 1595 O HOH 78 0.926 23.343 36.849 1.00 26.05 O HETATM 1596 O HOH 79 1.153 21.452 26.926 1.00 8.17 O HETATM 1597 O HOH 80 5.539 20.362 40.308 1.00 15.34 O HETATM 1598 O HOH 81 3.576 24.306 39.117 1.00 23.39 O HETATM 1599 O HOH 82 6.366 24.374 39.324 1.00 21.00 O HETATM 1600 O HOH 83 10.844 24.393 33.068 1.00 8.21 O HETATM 1601 O HOH 84 6.547 29.449 35.075 1.00 18.32 O HETATM 1602 O HOH 85 9.014 30.281 36.705 1.00 18.17 O HETATM 1603 O HOH 86 9.634 27.127 39.112 1.00 16.91 O HETATM 1604 O HOH 87 13.283 31.553 34.666 1.00 21.18 O HETATM 1605 O HOH 88 10.122 25.453 30.549 1.00 8.18 O HETATM 1606 O HOH 89 17.325 25.052 29.706 1.00 12.59 O HETATM 1607 O HOH 90 16.988 28.442 31.443 1.00 10.74 O HETATM 1608 O HOH 91 20.166 31.448 25.455 1.00 18.44 O HETATM 1609 O HOH 92 22.383 29.301 21.957 1.00 25.69 O HETATM 1610 O HOH 93 3.975 15.593 24.920 1.00 8.09 O HETATM 1611 O HOH 94 2.089 25.107 22.063 1.00 17.31 O HETATM 1612 O HOH 95 -1.419 24.167 34.396 1.00 14.90 O HETATM 1613 O HOH 96 -2.595 26.837 31.777 1.00 16.67 O HETATM 1614 O HOH 97 5.094 21.443 26.621 1.00 8.73 O HETATM 1615 O HOH 98 23.635 22.544 16.534 1.00 14.44 O HETATM 1616 O HOH 99 16.661 25.669 22.538 1.00 11.59 O HETATM 1617 O HOH 100 15.628 31.609 19.009 1.00 14.07 O HETATM 1618 O HOH 101 16.726 5.851 3.699 1.00 20.48 O HETATM 1619 O HOH 102 13.544 37.022 20.186 1.00 23.29 O HETATM 1620 O HOH 103 15.542 31.085 25.105 1.00 18.63 O HETATM 1621 O HOH 104 1.559 28.271 27.203 1.00 13.85 O HETATM 1622 O HOH 105 3.524 31.181 29.373 1.00 17.23 O HETATM 1623 O HOH 106 1.670 25.536 26.802 1.00 10.94 O HETATM 1624 O HOH 107 3.779 25.519 19.947 1.00 20.58 O HETATM 1625 O HOH 108 9.478 27.414 28.232 1.00 11.12 O HETATM 1626 O HOH 109 29.736 14.177 27.952 1.00 14.32 O HETATM 1627 O HOH 110 30.571 7.966 28.343 1.00 12.85 O HETATM 1628 O HOH 111 29.746 11.672 29.250 1.00 12.42 O HETATM 1629 O HOH 112 30.178 7.451 24.113 1.00 24.59 O HETATM 1630 O HOH 113 27.672 6.454 26.995 1.00 17.80 O HETATM 1631 O HOH 114 27.425 14.028 13.914 1.00 13.64 O HETATM 1632 O HOH 115 28.752 10.115 15.240 1.00 16.86 O HETATM 1633 O HOH 116 26.109 14.780 11.605 1.00 16.74 O HETATM 1634 O HOH 117 23.000 18.045 11.452 1.00 12.70 O HETATM 1635 O HOH 118 7.708 22.212 8.769 1.00 27.53 O HETATM 1636 O HOH 119 10.815 19.129 3.043 1.00 26.36 O HETATM 1637 O HOH 120 12.855 13.619 3.857 1.00 29.95 O HETATM 1638 O HOH 121 11.339 7.700 7.379 1.00 24.78 O HETATM 1639 O HOH 122 17.383 14.146 4.863 1.00 20.37 O HETATM 1640 O HOH 123 20.953 4.134 5.586 1.00 23.77 O HETATM 1641 O HOH 124 13.537 -2.029 20.206 1.00 21.24 O HETATM 1642 O HOH 125 21.135 1.185 32.996 1.00 28.56 O HETATM 1643 O HOH 126 15.460 2.831 37.243 1.00 13.06 O HETATM 1644 O HOH 127 16.847 1.343 32.891 1.00 11.03 O HETATM 1645 O HOH 128 22.615 2.364 37.552 1.00 27.33 O HETATM 1646 O HOH 129 18.457 10.086 40.213 1.00 22.00 O HETATM 1647 O HOH 130 14.867 14.690 42.342 1.00 20.12 O HETATM 1648 O HOH 131 24.831 2.583 22.656 1.00 24.68 O HETATM 1649 O HOH 132 12.508 33.974 27.639 1.00 29.14 O HETATM 1650 O HOH 133 14.724 19.990 3.365 1.00 28.88 O HETATM 1651 O HOH 134 6.194 17.299 10.023 1.00 23.27 O HETATM 1652 O HOH 135 22.286 11.211 38.746 1.00 18.26 O HETATM 1653 O HOH 136 10.754 24.112 8.162 1.00 21.10 O HETATM 1654 O HOH 137 14.741 25.279 10.273 1.00 19.37 O HETATM 1655 O HOH 138 31.499 11.378 17.413 1.00 15.29 O HETATM 1656 O HOH 139 23.892 27.287 18.058 1.00 29.97 O HETATM 1657 O HOH 140 21.657 28.521 18.929 1.00 25.21 O HETATM 1658 O HOH 141 18.062 22.617 29.271 1.00 10.47 O HETATM 1659 O HOH 142 -1.627 6.664 30.775 1.00 21.09 O HETATM 1660 O HOH 143 28.950 11.005 21.873 1.00 13.52 O HETATM 1661 O HOH 144 16.118 2.142 12.189 1.00 24.11 O HETATM 1662 O HOH 145 18.708 11.968 44.676 1.00 18.16 O HETATM 1663 O HOH 146 5.234 12.567 39.679 1.00 22.17 O HETATM 1664 O HOH 147 0.814 25.962 24.071 1.00 25.47 O HETATM 1665 O HOH 148 16.671 16.312 41.732 1.00 22.45 O HETATM 1666 O HOH 149 21.505 23.028 13.899 1.00 12.90 O HETATM 1667 O HOH 150 -5.007 23.081 25.010 1.00 13.80 O HETATM 1668 O HOH 151 15.145 7.507 39.917 1.00 19.20 O HETATM 1669 O HOH 152 15.438 0.429 30.793 1.00 11.99 O HETATM 1670 O HOH 153 28.311 16.426 14.025 1.00 17.69 O HETATM 1671 O HOH 154 27.989 7.934 18.463 1.00 14.65 O HETATM 1672 O HOH 155 18.086 -2.710 15.929 1.00 27.83 O HETATM 1673 O HOH 156 20.745 18.901 6.995 1.00 21.25 O HETATM 1674 O HOH 157 22.508 11.172 41.394 1.00 25.88 O HETATM 1675 O HOH 158 26.767 -1.250 12.899 1.00 21.33 O HETATM 1676 O HOH 159 18.990 26.485 31.370 1.00 12.40 O HETATM 1677 O HOH 160 29.202 13.343 23.222 1.00 17.13 O HETATM 1678 O HOH 161 27.290 15.961 23.542 1.00 18.69 O HETATM 1679 O HOH 162 30.854 14.591 25.466 1.00 24.27 O HETATM 1680 O HOH 163 -5.773 6.802 31.186 1.00 23.59 O HETATM 1681 O HOH 164 -4.461 16.418 20.218 1.00 23.49 O HETATM 1682 O HOH 165 28.962 14.863 20.822 1.00 20.35 O HETATM 1683 O HOH 166 6.950 14.329 40.714 1.00 16.38 O HETATM 1684 O HOH 167 6.460 27.169 39.589 1.00 20.87 O HETATM 1685 O HOH 168 0.396 29.574 25.015 1.00 22.01 O HETATM 1686 O HOH 169 3.940 -1.392 25.699 1.00 27.96 O HETATM 1687 O HOH 170 5.978 31.940 30.669 1.00 26.88 O HETATM 1688 O HOH 171 6.592 -0.293 37.931 1.00 23.36 O HETATM 1689 O HOH 172 0.727 24.985 35.241 1.00 8.69 O HETATM 1690 O HOH 173 -4.843 20.828 19.841 1.00 17.20 O HETATM 1691 O HOH 174 9.952 24.754 10.747 1.00 32.21 O HETATM 1692 O HOH 175 3.499 33.472 27.721 1.00 34.51 O HETATM 1693 O HOH 176 27.355 19.978 17.527 1.00 26.52 O HETATM 1694 O HOH 177 25.382 22.644 12.302 1.00 31.71 O HETATM 1695 O HOH 178 21.428 27.581 30.567 1.00 22.06 O HETATM 1696 O HOH 179 17.360 28.034 12.254 1.00 26.89 O HETATM 1697 O HOH 180 13.355 24.787 8.051 1.00 20.64 O HETATM 1698 O HOH 181 7.243 21.264 42.286 1.00 23.23 O HETATM 1699 O HOH 182 -1.928 3.538 30.409 1.00 30.50 O HETATM 1700 O HOH 183 22.060 25.223 12.536 1.00 29.88 O HETATM 1701 O HOH 184 31.436 9.786 21.759 1.00 31.38 O HETATM 1702 O HOH 185 19.695 -3.086 17.999 1.00 28.93 O HETATM 1703 O HOH 186 13.979 3.361 39.565 1.00 19.42 O HETATM 1704 O HOH 187 22.535 24.514 33.791 1.00 29.42 O HETATM 1705 O HOH 188 26.024 21.804 21.027 1.00 28.76 O HETATM 1706 O HOH 189 7.021 -0.764 19.064 1.00 30.77 O HETATM 1707 O HOH 190 6.740 20.230 10.013 1.00 26.29 O HETATM 1708 O HOH 191 0.233 0.676 26.564 1.00 28.98 O HETATM 1709 O HOH 192 28.878 16.357 25.762 1.00 17.15 O HETATM 1710 O HOH 193 5.960 31.534 33.426 1.00 21.79 O HETATM 1711 O HOH 194 1.947 31.963 25.158 1.00 33.62 O HETATM 1712 O HOH 195 10.927 -2.714 20.906 1.00 25.11 O HETATM 1713 O HOH 196 10.305 -3.175 29.624 1.00 18.35 O HETATM 1714 O HOH 197 31.353 13.560 19.967 1.00 25.05 O HETATM 1715 O HOH 198 21.210 10.510 44.749 1.00 25.75 O HETATM 1716 O HOH 199 5.127 32.381 25.244 1.00 25.49 O HETATM 1717 O HOH 200 5.203 10.210 40.887 1.00 30.77 O HETATM 1718 O HOH 201 19.452 21.025 5.734 1.00 33.60 O HETATM 1719 O HOH 202 9.711 6.831 10.731 1.00 29.38 O HETATM 1720 O HOH 203 0.819 -1.477 28.293 1.00 29.59 O HETATM 1721 O HOH 204 0.764 -0.943 31.444 1.00 28.61 O HETATM 1722 O HOH 205 12.775 6.048 40.520 1.00 27.82 O HETATM 1723 O HOH 206 12.457 6.966 2.956 1.00 25.02 O HETATM 1724 O HOH 207 3.914 6.907 10.301 1.00 26.89 O HETATM 1725 O HOH 208 -6.396 13.941 28.142 1.00 22.20 O HETATM 1726 O HOH 209 8.939 21.117 2.228 1.00 29.83 O HETATM 1727 O HOH 210 1.131 0.442 34.649 1.00 30.87 O HETATM 1728 O HOH 211 -3.370 13.971 20.426 1.00 21.13 O HETATM 1729 O HOH 212 7.916 17.325 43.990 1.00 24.37 O HETATM 1730 O HOH 213 23.639 29.205 26.771 1.00 32.98 O HETATM 1731 O HOH 214 27.201 9.120 23.196 1.00 14.10 O HETATM 1732 O HOH 215 3.556 15.651 15.642 1.00 12.07 O HETATM 1733 O HOH 216 28.070 17.407 17.333 1.00 22.10 O HETATM 1734 O HOH 217 10.629 34.299 23.760 1.00 24.09 O HETATM 1735 O HOH 218 20.603 30.828 30.447 1.00 27.04 O HETATM 1736 O HOH 219 1.861 7.468 37.775 1.00 28.08 O HETATM 1737 O HOH 220 13.004 0.479 27.955 1.00 11.38 O HETATM 1738 O HOH 221 15.106 -0.474 26.227 1.00 14.81 O HETATM 1739 O HOH 222 5.992 13.974 7.491 1.00 22.31 O HETATM 1740 O HOH 223 -3.857 16.361 23.056 1.00 21.63 O HETATM 1741 O HOH 224 -3.384 8.974 13.869 1.00 23.05 O HETATM 1742 O HOH 225 27.173 4.399 22.603 1.00 21.47 O HETATM 1743 O HOH 226 13.967 -3.966 27.264 1.00 27.48 O HETATM 1744 O HOH 227 23.402 15.322 34.898 1.00 22.95 O HETATM 1745 O HOH 228 21.580 31.166 27.867 1.00 30.94 O HETATM 1746 O HOH 229 1.471 1.865 24.393 1.00 31.93 O HETATM 1747 O HOH 230 7.225 1.475 20.554 1.00 14.58 O HETATM 1748 O HOH 231 26.153 19.052 28.001 1.00 12.22 O HETATM 1749 O HOH 232 -4.816 4.658 27.670 1.00 27.63 O HETATM 1750 O HOH 233 12.957 6.559 5.469 1.00 23.11 O HETATM 1751 O HOH 234 21.022 30.794 17.578 1.00 26.81 O HETATM 1752 O HOH 235 18.080 30.776 17.312 1.00 27.83 O HETATM 1753 O HOH 236 -2.781 26.782 34.653 1.00 35.01 O HETATM 1754 O HOH 237 5.593 30.382 19.453 1.00 27.05 O HETATM 1755 O HOH 238 26.697 8.327 14.577 1.00 22.94 O HETATM 1756 O HOH 239 27.922 6.429 12.845 1.00 19.25 O HETATM 1757 O HOH 240 -0.693 24.452 19.613 1.00 27.22 O HETATM 1758 O HOH 241 17.634 -0.985 27.933 1.00 22.45 O HETATM 1759 O HOH 242 12.140 12.140 43.764 1.00 19.26 O HETATM 1760 O HOH 243 23.450 19.918 25.525 1.00 21.53 O HETATM 1761 O HOH 244 12.624 33.934 25.560 1.00 24.40 O HETATM 1762 O HOH 245 -3.237 25.163 20.381 1.00 31.99 O HETATM 1763 O HOH 246 27.827 18.204 26.575 1.00 25.49 O HETATM 1764 O HOH 247 18.537 21.847 36.919 1.00 29.83 O HETATM 1765 O HOH 248 26.520 14.141 9.044 1.00 16.10 O HETATM 1766 O HOH 249 10.048 33.500 28.543 1.00 36.76 O HETATM 1767 O HOH 250 10.140 30.489 29.747 1.00 24.39 O HETATM 1768 O HOH 251 21.986 24.416 25.434 1.00 29.55 O HETATM 1769 O HOH 252 12.626 35.534 25.072 1.00 26.37 O HETATM 1770 O HOH 253 14.600 26.891 14.091 1.00 23.66 O HETATM 1771 O HOH 254 16.055 -1.676 8.921 1.00 25.86 O HETATM 1772 O HOH 255 15.393 -1.940 15.742 1.00 27.45 O HETATM 1773 O HOH 256 5.601 28.736 17.028 1.00 27.42 O HETATM 1774 O HOH 257 3.746 20.143 10.626 1.00 25.94 O HETATM 1775 O HOH 258 29.640 17.133 19.610 1.00 22.76 O HETATM 1776 O HOH 259 22.924 12.932 6.385 1.00 23.65 O HETATM 1777 O HOH 260 25.547 4.226 11.859 1.00 26.99 O HETATM 1778 O HOH 261 28.702 4.540 19.651 1.00 27.68 O HETATM 1779 O HOH 262 18.406 -3.448 20.576 1.00 25.92 O HETATM 1780 O HOH 263 22.252 24.507 27.291 1.00 23.90 O HETATM 1781 O HOH 264 12.555 -0.993 12.354 1.00 27.11 O HETATM 1782 O HOH 265 -4.424 10.538 18.207 1.00 24.98 O HETATM 1783 O HOH 266 0.531 1.321 19.200 1.00 26.45 O HETATM 1784 O HOH 267 26.792 18.577 23.986 1.00 24.72 O HETATM 1785 O HOH 268 -3.192 6.477 20.793 1.00 30.96 O HETATM 1786 O HOH 269 15.532 18.117 43.756 1.00 23.83 O HETATM 1787 O HOH 270 8.131 32.773 23.601 1.00 26.52 O HETATM 1788 O HOH 271 23.054 27.174 28.465 1.00 20.21 O HETATM 1789 O HOH 272 23.049 26.928 25.498 1.00 27.47 O HETATM 1790 O HOH 273 1.318 4.574 34.654 1.00 25.32 O HETATM 1791 O HOH 274 11.959 11.424 2.569 1.00 25.49 O HETATM 1792 O HOH 275 27.706 12.371 7.425 1.00 23.32 O HETATM 1793 O HOH 276 20.784 23.564 28.067 1.00 24.70 O HETATM 1794 O HOH 277 22.811 23.226 29.790 1.00 25.31 O HETATM 1795 O HOH 278 12.397 25.842 10.779 1.00 28.53 O HETATM 1796 O HOH 279 29.148 2.812 21.557 1.00 25.79 O HETATM 1797 O HOH 280 13.548 25.911 40.019 1.00 24.59 O HETATM 1798 O HOH 281 6.069 11.386 3.119 1.00 29.50 O HETATM 1799 O HOH 282 20.930 20.717 36.304 1.00 27.58 O HETATM 1800 O HOH 283 -3.672 6.441 14.614 1.00 29.02 O HETATM 1801 O HOH 284 3.962 27.070 37.886 1.00 28.51 O HETATM 1802 O HOH 285 6.955 2.727 13.606 1.00 28.58 O HETATM 1803 O HOH 286 18.691 17.327 5.584 1.00 28.00 O HETATM 1804 O HOH 287 6.344 6.352 3.132 1.00 31.93 O HETATM 1805 O HOH 288 25.175 24.813 16.416 1.00 28.50 O HETATM 1806 O HOH 289 25.771 26.889 20.536 1.00 28.85 O HETATM 1807 O HOH 290 23.330 6.719 8.986 1.00 27.47 O HETATM 1808 O HOH 291 -1.752 6.148 35.505 1.00 27.53 O HETATM 1809 O HOH 292 6.651 -3.962 28.224 1.00 29.77 O HETATM 1810 O HOH 293 24.649 12.398 7.865 1.00 22.00 O HETATM 1811 O HOH 294 -0.662 24.666 13.964 1.00 31.40 O HETATM 1812 O HOH 295 24.571 19.874 23.430 1.00 28.70 O HETATM 1813 O HOH 296 14.809 0.576 9.383 1.00 35.59 O HETATM 1814 O HOH 297 18.966 9.741 3.720 1.00 27.85 O HETATM 1815 O HOH 298 15.191 14.587 2.699 1.00 28.95 O HETATM 1816 O HOH 299 13.228 39.930 23.958 1.00 31.36 O HETATM 1817 O HOH 300 4.035 27.712 18.722 1.00 27.62 O HETATM 1818 O HOH 301 12.957 2.131 37.921 1.00 23.85 O HETATM 1819 O HOH 302 22.166 -0.060 39.568 1.00 25.93 O HETATM 1820 O HOH 303 16.723 6.503 41.387 1.00 26.97 O HETATM 1821 O HOH 304 -2.371 26.026 14.675 1.00 27.28 O HETATM 1822 O HOH 305 0.020 26.960 18.271 1.00 30.25 O HETATM 1823 O HOH 306 -3.639 26.913 18.110 1.00 28.10 O HETATM 1824 O HOH 307 -5.255 23.943 22.204 1.00 27.31 O HETATM 1825 O HOH 308 -5.014 22.113 23.082 1.00 26.91 O HETATM 1826 O HOH 309 11.595 8.933 3.375 1.00 28.22 O HETATM 1827 O HOH 310 9.256 6.542 8.519 1.00 25.53 O HETATM 1828 O HOH 311 11.663 2.618 6.630 1.00 26.07 O HETATM 1829 O HOH 312 -5.115 27.336 35.244 1.00 23.22 O HETATM 1830 O HOH 313 21.113 29.319 32.113 1.00 25.06 O HETATM 1831 O HOH 314 22.927 25.256 16.032 1.00 28.56 O HETATM 1832 O HOH 315 30.681 21.533 19.567 1.00 25.95 O HETATM 1833 O HOH 316 19.200 9.709 43.238 1.00 25.21 O HETATM 1834 O HOH 317 6.822 4.766 11.947 1.00 28.47 O HETATM 1835 O HOH 318 20.968 16.703 5.539 1.00 27.55 O HETATM 1836 O HOH 319 4.104 8.202 39.281 1.00 27.50 O HETATM 1837 O HOH 320 14.667 35.808 23.898 1.00 27.75 O HETATM 1838 O HOH 321 24.249 22.075 27.428 1.00 24.30 O HETATM 1839 O HOH 322 16.643 22.381 5.709 1.00 29.57 O HETATM 1840 O HOH 323 20.799 26.788 8.794 1.00 30.29 O HETATM 1841 O HOH 324 22.795 4.362 3.332 1.00 26.38 O HETATM 1842 O HOH 325 21.609 1.623 7.267 1.00 30.58 O HETATM 1843 O HOH 326 24.732 26.946 9.579 1.00 30.27 O HETATM 1844 O HOH 327 25.745 32.450 24.612 1.00 31.11 O HETATM 1845 O HOH 328 -3.876 8.025 25.481 1.00 32.57 O HETATM 1846 O HOH 329 -4.856 6.129 20.136 1.00 29.45 O HETATM 1847 O HOH 330 -7.687 9.460 25.049 1.00 27.92 O HETATM 1848 O HOH 331 3.531 -1.436 21.629 1.00 30.94 O HETATM 1849 O HOH 332 -0.143 2.713 15.668 1.00 25.49 O HETATM 1850 O HOH 333 -1.435 4.166 14.056 1.00 29.98 O HETATM 1851 O HOH 334 3.126 0.232 18.912 1.00 28.46 O HETATM 1852 O HOH 335 8.337 -2.357 23.494 1.00 30.67 O HETATM 1853 O HOH 336 15.422 -3.156 25.404 1.00 29.47 O HETATM 1854 O HOH 337 21.006 -0.745 25.656 1.00 27.96 O HETATM 1855 O HOH 338 7.039 -3.683 31.922 1.00 26.43 O HETATM 1856 O HOH 339 21.564 -0.644 22.168 1.00 27.06 O HETATM 1857 O HOH 340 27.322 0.026 12.237 1.00 28.29 O HETATM 1858 O HOH 341 -5.481 27.610 23.963 1.00 28.39 O HETATM 1859 O HOH 342 8.228 9.978 42.115 1.00 27.51 O HETATM 1860 O HOH 343 6.833 33.348 21.536 1.00 30.50 O HETATM 1861 O HOH 344 -0.426 28.480 22.995 1.00 28.75 O HETATM 1862 O HOH 345 18.341 28.332 8.131 1.00 28.84 O HETATM 1863 O HOH 346 -3.076 6.200 33.766 1.00 29.84 O HETATM 1864 O HOH 347 20.866 27.606 11.950 1.00 29.16 O HETATM 1865 O HOH 348 -3.918 29.693 25.916 1.00 27.06 O HETATM 1866 O HOH 349 4.236 6.272 1.675 1.00 30.08 O HETATM 1867 O HOH 350 24.601 22.530 30.750 1.00 31.72 O HETATM 1868 O HOH 351 -0.675 25.948 37.271 1.00 28.08 O HETATM 1869 O HOH 352 13.551 7.965 44.016 1.00 28.66 O HETATM 1870 O HOH 353 17.264 18.296 4.325 1.00 32.15 O HETATM 1871 O HOH 354 12.115 3.579 44.083 1.00 30.96 O HETATM 1872 O HOH 355 14.350 4.432 43.859 1.00 30.87 O HETATM 1873 O HOH 356 14.180 16.928 1.369 1.00 31.13 O HETATM 1874 O HOH 357 15.735 12.701 0.677 1.00 31.53 O HETATM 1875 O HOH 358 18.423 11.574 1.360 1.00 31.03 O HETATM 1876 O HOH 359 21.665 10.431 4.069 1.00 32.61 O HETATM 1877 O HOH 360 14.121 10.180 0.870 1.00 31.73 O HETATM 1878 O HOH 361 21.156 13.338 4.619 1.00 31.46 O HETATM 1879 O HOH 362 2.679 2.438 12.477 1.00 31.04 O HETATM 1880 O HOH 363 3.736 -4.126 33.233 1.00 29.25 O HETATM 1881 O HOH 364 2.093 30.148 33.648 1.00 31.55 O HETATM 1882 O HOH 365 1.363 25.242 38.293 1.00 29.36 O HETATM 1883 O HOH 366 25.583 22.855 17.779 1.00 30.22 O HETATM 1884 O HOH 367 26.714 24.792 18.957 1.00 29.75 O HETATM 1885 O HOH 368 24.902 27.631 22.065 1.00 29.96 O HETATM 1886 O HOH 369 26.194 23.047 25.521 1.00 30.30 O HETATM 1887 O HOH 370 1.008 2.775 36.493 1.00 30.71 O HETATM 1888 O HOH 371 31.428 8.153 20.067 1.00 29.39 O HETATM 1889 O HOH 372 -5.814 28.971 37.277 1.00 30.80 O HETATM 1890 O HOH 373 -2.954 28.177 41.351 1.00 31.39 O HETATM 1891 O HOH 374 1.023 5.117 12.308 1.00 30.14 O HETATM 1892 O HOH 375 28.124 19.933 22.004 1.00 31.55 O HETATM 1893 O HOH 376 -1.709 27.205 21.510 1.00 29.15 O HETATM 1894 O HOH 377 1.420 9.623 39.970 1.00 29.27 O HETATM 1895 O HOH 378 21.939 22.157 26.462 1.00 29.87 O HETATM 1896 O HOH 379 25.242 34.453 21.882 1.00 30.50 O HETATM 1897 O HOH 380 18.065 19.762 44.679 1.00 31.13 O HETATM 1898 O HOH 381 22.854 -2.047 9.573 1.00 31.01 O HETATM 1899 O HOH 382 15.751 4.229 43.166 1.00 30.30 O HETATM 1900 O HOH 383 13.530 4.242 45.987 1.00 28.17 O HETATM 1901 O HOH 384 23.177 8.041 4.118 1.00 32.24 O HETATM 1902 O HOH 385 22.521 -2.396 32.495 1.00 31.23 O HETATM 1903 O HOH 386 9.299 -2.366 18.723 1.00 27.95 O HETATM 1904 O HOH 387 21.133 -1.342 16.746 1.00 31.71 O HETATM 1905 O HOH 388 24.901 23.195 23.252 1.00 30.18 O HETATM 1906 O HOH 389 12.893 0.587 8.245 1.00 29.42 O HETATM 1907 O HOH 390 1.376 0.894 21.852 1.00 30.38 O HETATM 1908 O HOH 391 6.588 9.900 8.479 1.00 27.23 O HETATM 1909 O HOH 392 7.861 22.840 4.096 1.00 32.36 O HETATM 1910 O HOH 393 13.931 16.114 42.754 1.00 27.66 O HETATM 1911 O HOH 394 19.372 -0.983 27.012 1.00 29.22 O HETATM 1912 O HOH 395 16.474 35.499 22.665 1.00 28.32 O HETATM 1913 O HOH 396 -7.159 26.275 21.882 1.00 29.17 O HETATM 1914 O HOH 397 0.680 29.415 36.616 1.00 31.55 O HETATM 1915 O HOH 398 25.683 7.787 8.521 1.00 30.39 O HETATM 1916 O HOH 399 4.129 -0.683 38.643 1.00 30.63 O HETATM 1917 O HOH 400 23.219 18.259 6.194 1.00 30.05 O HETATM 1918 O HOH 401 22.924 20.645 5.332 1.00 32.00 O HETATM 1919 O HOH 402 0.715 33.779 23.912 1.00 28.51 O HETATM 1920 O HOH 403 26.407 24.253 13.275 1.00 29.49 O HETATM 1921 O HOH 404 -4.287 9.002 20.467 1.00 35.13 O HETATM 1922 CAB UNN A 405 6.787 22.637 12.522 1.00 -0.01 C HETATM 1923 SAW UNN A 405 6.880 21.819 14.046 1.00 -0.11 S HETATM 1924 CBB UNN A 405 6.732 23.065 15.256 1.00 0.02 C HETATM 1925 CAH UNN A 405 6.598 24.396 14.917 1.00 -0.06 C HETATM 1926 CAF UNN A 405 6.446 25.333 15.907 1.00 -0.07 C HETATM 1927 CAG UNN A 405 6.418 24.961 17.224 1.00 -0.08 C HETATM 1928 CAI UNN A 405 6.515 23.659 17.546 1.00 -0.06 C HETATM 1929 CBC UNN A 405 6.674 22.666 16.603 1.00 -0.01 C HETATM 1930 CBE UNN A 405 6.826 21.276 16.985 1.00 0.08 C HETATM 1931 CAQ UNN A 405 8.318 20.870 17.066 1.00 -0.02 C HETATM 1932 CAN UNN A 405 8.764 21.274 18.466 1.00 -0.03 C HETATM 1933 CAS UNN A 405 7.545 20.804 19.314 1.00 0.04 C HETATM 1934 NBF UNN A 405 6.404 20.934 18.403 1.00 -0.26 N HETATM 1935 C UNN A 405 5.173 20.592 18.815 1.00 0.21 C HETATM 1936 O UNN A 405 4.976 20.227 19.956 1.00 -0.39 O HETATM 1937 CA UNN A 405 4.033 20.731 17.810 1.00 0.13 C HETATM 1938 CB UNN A 405 3.392 22.107 18.068 1.00 -0.00 C HETATM 1939 CG UNN A 405 2.078 22.107 17.298 1.00 -0.00 C HETATM 1940 SD UNN A 405 1.794 23.668 16.488 1.00 -0.16 S HETATM 1941 CE UNN A 405 1.701 24.338 18.015 1.00 -0.02 C HETATM 1942 H20 UNN A 405 1.512 25.418 17.930 1.00 0.03 H HETATM 1943 H21 UNN A 405 2.650 24.172 18.547 1.00 0.03 H HETATM 1944 H22 UNN A 405 0.880 23.865 18.574 1.00 0.03 H HETATM 1945 H18 UNN A 405 1.253 21.913 17.999 1.00 0.04 H HETATM 1946 H19 UNN A 405 2.109 21.311 16.539 1.00 0.04 H HETATM 1947 H16 UNN A 405 4.049 22.910 17.703 1.00 0.03 H HETATM 1948 H17 UNN A 405 3.205 22.247 19.143 1.00 0.03 H HETATM 1949 N UNN A 405 3.030 19.786 18.132 1.00 -0.25 N HETATM 1950 CAX UNN A 405 2.961 18.622 17.791 1.00 0.26 C HETATM 1951 OAD UNN A 405 3.741 18.067 17.060 1.00 -0.40 O HETATM 1952 NAT UNN A 405 1.809 18.203 18.374 1.00 -0.26 N HETATM 1953 CAP UNN A 405 1.184 16.986 18.401 1.00 0.06 C HETATM 1954 CBA UNN A 405 1.076 16.489 19.757 1.00 -0.03 C HETATM 1955 CAL UNN A 405 2.092 16.671 20.685 1.00 -0.07 C HETATM 1956 CAJ UNN A 405 1.974 16.138 21.930 1.00 -0.05 C HETATM 1957 CAZ UNN A 405 0.861 15.461 22.338 1.00 0.03 C HETATM 1958 NAC UNN A 405 0.765 14.963 23.592 1.00 -0.34 N HETATM 1959 H29 UNN A 405 -0.083 14.455 23.881 1.00 0.17 H HETATM 1960 H30 UNN A 405 1.540 15.092 24.258 1.00 0.17 H HETATM 1961 CAK UNN A 405 -0.165 15.256 21.400 1.00 -0.05 C HETATM 1962 CAM UNN A 405 -0.012 15.750 20.130 1.00 -0.07 C HETATM 1963 H32 UNN A 405 -0.782 15.547 19.395 1.00 0.05 H HETATM 1964 H31 UNN A 405 -1.063 14.716 21.676 1.00 0.05 H HETATM 1965 H28 UNN A 405 2.796 16.255 22.626 1.00 0.05 H HETATM 1966 H27 UNN A 405 2.977 17.237 20.418 1.00 0.05 H HETATM 1967 H25 UNN A 405 1.764 16.270 17.800 1.00 0.07 H HETATM 1968 H26 UNN A 405 0.175 17.090 17.974 1.00 0.07 H HETATM 1969 H24 UNN A 405 1.326 18.919 18.879 1.00 0.19 H HETATM 1970 H23 UNN A 405 2.286 20.117 18.712 1.00 0.19 H HETATM 1971 H15 UNN A 405 4.386 20.620 16.774 1.00 0.08 H HETATM 1972 H13 UNN A 405 7.414 21.445 20.198 1.00 0.05 H HETATM 1973 H14 UNN A 405 7.672 19.759 19.634 1.00 0.05 H HETATM 1974 H11 UNN A 405 8.915 22.361 18.544 1.00 0.03 H HETATM 1975 H12 UNN A 405 9.687 20.753 18.762 1.00 0.03 H HETATM 1976 H9 UNN A 405 8.905 21.404 16.305 1.00 0.03 H HETATM 1977 H10 UNN A 405 8.431 19.785 16.923 1.00 0.03 H HETATM 1978 H8 UNN A 405 6.279 20.657 16.259 1.00 0.07 H HETATM 1979 H7 UNN A 405 6.466 23.378 18.592 1.00 0.05 H HETATM 1980 H6 UNN A 405 6.318 25.710 18.001 1.00 0.05 H HETATM 1981 H5 UNN A 405 6.347 26.380 15.643 1.00 0.05 H HETATM 1982 H4 UNN A 405 6.613 24.699 13.876 1.00 0.05 H HETATM 1983 H1 UNN A 405 6.874 21.904 11.707 1.00 0.04 H HETATM 1984 H2 UNN A 405 7.606 23.368 12.447 1.00 0.04 H HETATM 1985 H3 UNN A 405 5.822 23.159 12.444 1.00 0.04 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1922 1923 1983 1984 1985 CONECT 1923 1922 1924 CONECT 1924 1923 1925 1929 CONECT 1925 1924 1926 1982 CONECT 1926 1925 1927 1981 CONECT 1927 1926 1928 1980 CONECT 1928 1927 1929 1979 CONECT 1929 1924 1928 1930 CONECT 1930 1929 1931 1934 1978 CONECT 1931 1930 1932 1976 1977 CONECT 1932 1931 1933 1974 1975 CONECT 1933 1932 1934 1972 1973 CONECT 1934 1930 1933 1935 CONECT 1935 1934 1936 1937 CONECT 1936 1935 CONECT 1937 1935 1938 1949 1971 CONECT 1938 1937 1939 1947 1948 CONECT 1939 1938 1940 1945 1946 CONECT 1940 1939 1941 CONECT 1941 1940 1942 1943 1944 CONECT 1942 1941 CONECT 1943 1941 CONECT 1944 1941 CONECT 1945 1939 CONECT 1946 1939 CONECT 1947 1938 CONECT 1948 1938 CONECT 1949 1937 1950 1970 CONECT 1950 1949 1951 1952 CONECT 1951 1950 CONECT 1952 1950 1953 1969 CONECT 1953 1952 1954 1967 1968 CONECT 1954 1953 1955 1962 CONECT 1955 1954 1956 1966 CONECT 1956 1955 1957 1965 CONECT 1957 1956 1958 1961 CONECT 1958 1957 1959 1960 CONECT 1959 1958 CONECT 1960 1958 CONECT 1961 1957 1962 1964 CONECT 1962 1954 1961 1963 CONECT 1963 1962 CONECT 1964 1961 CONECT 1965 1956 CONECT 1966 1955 CONECT 1967 1953 CONECT 1968 1953 CONECT 1969 1952 CONECT 1970 1949 CONECT 1971 1937 CONECT 1972 1933 CONECT 1973 1933 CONECT 1974 1932 CONECT 1975 1932 CONECT 1976 1931 CONECT 1977 1931 CONECT 1978 1930 CONECT 1979 1928 CONECT 1980 1927 CONECT 1981 1926 CONECT 1982 1925 CONECT 1983 1922 CONECT 1984 1922 CONECT 1985 1922 MASTER 0 0 0 0 0 0 0 0 1984 1 68 13 END
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Related entries of code: 4j5c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j58
RCSB PDB
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%
4j5d
RCSB PDB
PDBbind
164aa, >4J5D_1|Chain... at 100%
4j5e
RCSB PDB
PDBbind
164aa, >4J5E_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
4j5c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
7I6
EC.Number
E.C.5.2.1.8
Resolution
1.03(Å)
Affinity (Kd/Ki/IC50)
IC50=3.0uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
2
4
H
3
2
N
4
O
2
S
2
Molecular Weight
472.666
Exact Mass
472.197
No. of atoms
64
No. of bonds
66
Polar Surface Area
138.06
LOGP Value
3.28 (
Computed with XLOGP3
)
5.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1SC)NC(=O)NCc1ccc(cc1)N
InChI String
InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
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