Browse entries in the PDBbind-CN Database
HEADER 3CR5_COMPLEX COMPND 3CR5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 91 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 91 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 91 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 91 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 91 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 91 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HIS SEQRES 1 X 91 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 X 91 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 X 91 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 X 91 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 X 91 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 X 91 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 X 91 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HIS HET ZN A 1 1 HET CA A 2 1 HET CA A 3 1 HET ZN A 4 1 HET CA A 5 1 HET CA A 6 1 HET PNT A 352 51 ATOM 1 N MET A 0 2.872 10.834 17.686 1.00 43.16 N ATOM 2 CA MET A 0 3.600 9.588 17.241 1.00 41.89 C ATOM 3 C MET A 0 3.461 9.455 15.760 1.00 40.43 C ATOM 4 O MET A 0 2.439 9.841 15.217 1.00 41.05 O ATOM 5 CB MET A 0 3.015 8.316 17.844 1.00 42.46 C ATOM 6 CG MET A 0 2.951 8.289 19.336 1.00 47.31 C ATOM 7 SD MET A 0 3.815 6.883 20.016 1.00 57.17 S ATOM 8 CE MET A 0 5.326 7.752 20.387 1.00 55.00 C ATOM 9 HA MET A 0 4.635 9.694 17.566 1.00 0.00 H ATOM 10 HB2 MET A 0 2.002 8.196 17.461 1.00 0.00 H ATOM 11 HB3 MET A 0 3.627 7.475 17.517 1.00 0.00 H ATOM 12 HG2 MET A 0 1.906 8.243 19.643 1.00 0.00 H ATOM 13 HG3 MET A 0 3.403 9.202 19.725 1.00 0.00 H ATOM 14 HE1 MET A 0 5.742 8.163 19.467 1.00 0.00 H ATOM 15 HE2 MET A 0 5.116 8.561 21.086 1.00 0.00 H ATOM 16 HE3 MET A 0 6.041 7.061 20.834 1.00 0.00 H ATOM 17 HN3 MET A 0 1.867 10.757 17.431 1.00 0.00 H ATOM 18 HN2 MET A 0 3.288 11.663 17.216 1.00 0.00 H ATOM 19 HN1 MET A 0 2.962 10.937 18.717 1.00 0.00 H ATOM 20 N SER A 1 4.465 8.875 15.108 1.00 38.19 N ATOM 21 CA SER A 1 4.412 8.661 13.665 1.00 36.62 C ATOM 22 C SER A 1 3.473 7.478 13.371 1.00 36.57 C ATOM 23 O SER A 1 3.027 6.776 14.287 1.00 36.32 O ATOM 24 CB SER A 1 5.813 8.360 13.128 1.00 36.04 C ATOM 25 OG SER A 1 6.181 7.020 13.494 1.00 34.50 O ATOM 26 HA SER A 1 4.037 9.560 13.175 1.00 0.00 H ATOM 27 HB2 SER A 1 6.527 9.064 13.555 1.00 0.00 H ATOM 28 HB3 SER A 1 5.816 8.456 12.042 1.00 0.00 H ATOM 29 HG SER A 1 7.087 6.822 13.148 1.00 0.00 H ATOM 30 H SER A 1 5.306 8.567 15.638 1.00 0.00 H ATOM 31 N GLU A 2 3.181 7.256 12.097 1.00 35.61 N ATOM 32 CA GLU A 2 2.413 6.092 11.673 1.00 36.42 C ATOM 33 C GLU A 2 3.124 4.785 12.058 1.00 36.44 C ATOM 34 O GLU A 2 2.479 3.807 12.491 1.00 35.42 O ATOM 35 CB GLU A 2 2.192 6.142 10.165 1.00 37.99 C ATOM 36 CG GLU A 2 1.116 7.151 9.767 1.00 40.72 C ATOM 37 CD GLU A 2 -0.278 6.696 10.172 1.00 49.75 C ATOM 38 OE1 GLU A 2 -0.850 5.770 9.527 1.00 53.42 O ATOM 39 OE2 GLU A 2 -0.802 7.251 11.153 1.00 50.33 O ATOM 40 HA GLU A 2 1.450 6.114 12.183 1.00 0.00 H ATOM 41 HB2 GLU A 2 3.129 6.420 9.683 1.00 0.00 H ATOM 42 HB3 GLU A 2 1.888 5.153 9.822 1.00 0.00 H ATOM 43 HG2 GLU A 2 1.330 8.103 10.253 1.00 0.00 H ATOM 44 HG3 GLU A 2 1.142 7.283 8.685 1.00 0.00 H ATOM 45 H GLU A 2 3.510 7.933 11.379 1.00 0.00 H ATOM 46 N LEU A 3 4.445 4.791 11.920 1.00 35.07 N ATOM 47 CA LEU A 3 5.235 3.611 12.240 1.00 33.84 C ATOM 48 C LEU A 3 5.137 3.325 13.747 1.00 34.16 C ATOM 49 O LEU A 3 4.929 2.187 14.158 1.00 35.03 O ATOM 50 CB LEU A 3 6.689 3.846 11.797 1.00 32.39 C ATOM 51 CG LEU A 3 7.699 2.761 12.190 1.00 34.15 C ATOM 52 CD1 LEU A 3 7.247 1.345 11.817 1.00 33.91 C ATOM 53 CD2 LEU A 3 9.064 3.078 11.592 1.00 34.22 C ATOM 54 HA LEU A 3 4.855 2.738 11.709 1.00 0.00 H ATOM 55 HB2 LEU A 3 6.697 3.930 10.710 1.00 0.00 H ATOM 56 HB3 LEU A 3 7.023 4.786 12.235 1.00 0.00 H ATOM 57 HG LEU A 3 7.769 2.771 13.278 1.00 0.00 H ATOM 58 HD21 LEU A 3 8.983 3.117 10.506 1.00 0.00 H ATOM 59 HD22 LEU A 3 9.408 4.042 11.967 1.00 0.00 H ATOM 60 HD23 LEU A 3 9.773 2.301 11.877 1.00 0.00 H ATOM 61 HD11 LEU A 3 6.309 1.119 12.324 1.00 0.00 H ATOM 62 HD12 LEU A 3 7.102 1.283 10.738 1.00 0.00 H ATOM 63 HD13 LEU A 3 8.009 0.629 12.124 1.00 0.00 H ATOM 64 H LEU A 3 4.921 5.650 11.579 1.00 0.00 H ATOM 65 N GLU A 4 5.317 4.362 14.556 1.00 33.95 N ATOM 66 CA GLU A 4 5.184 4.256 15.998 1.00 34.37 C ATOM 67 C GLU A 4 3.800 3.758 16.419 1.00 35.02 C ATOM 68 O GLU A 4 3.699 2.835 17.274 1.00 34.31 O ATOM 69 CB GLU A 4 5.578 5.567 16.683 1.00 35.37 C ATOM 70 CG GLU A 4 7.097 5.823 16.640 1.00 34.23 C ATOM 71 CD GLU A 4 7.522 7.229 16.957 1.00 35.20 C ATOM 72 OE1 GLU A 4 6.761 8.200 16.726 1.00 35.24 O ATOM 73 OE2 GLU A 4 8.674 7.371 17.420 1.00 37.67 O ATOM 74 HA GLU A 4 5.885 3.494 16.339 1.00 0.00 H ATOM 75 HB2 GLU A 4 5.070 6.390 16.181 1.00 0.00 H ATOM 76 HB3 GLU A 4 5.259 5.527 17.725 1.00 0.00 H ATOM 77 HG2 GLU A 4 7.571 5.157 17.361 1.00 0.00 H ATOM 78 HG3 GLU A 4 7.451 5.582 15.638 1.00 0.00 H ATOM 79 H GLU A 4 5.562 5.284 14.142 1.00 0.00 H ATOM 80 N LYS A 5 2.723 4.322 15.853 1.00 33.54 N ATOM 81 CA LYS A 5 1.374 3.769 16.165 1.00 33.13 C ATOM 82 C LYS A 5 1.204 2.327 15.681 1.00 33.87 C ATOM 83 O LYS A 5 0.537 1.531 16.344 1.00 33.45 O ATOM 84 CB LYS A 5 0.257 4.667 15.587 1.00 33.89 C ATOM 85 CG LYS A 5 0.310 6.085 16.131 1.00 33.72 C ATOM 86 CD LYS A 5 -0.850 6.944 15.583 1.00 34.11 C ATOM 87 CE LYS A 5 -0.640 8.417 15.959 1.00 39.41 C ATOM 88 NZ LYS A 5 -1.937 9.180 16.065 1.00 43.83 N ATOM 89 HA LYS A 5 1.288 3.757 17.252 1.00 0.00 H ATOM 90 HB2 LYS A 5 0.364 4.704 14.503 1.00 0.00 H ATOM 91 HB3 LYS A 5 -0.709 4.231 15.841 1.00 0.00 H ATOM 92 HG2 LYS A 5 0.243 6.050 17.218 1.00 0.00 H ATOM 93 HG3 LYS A 5 1.257 6.541 15.841 1.00 0.00 H ATOM 94 HD2 LYS A 5 -0.887 6.850 14.498 1.00 0.00 H ATOM 95 HD3 LYS A 5 -1.790 6.594 16.008 1.00 0.00 H ATOM 96 HE2 LYS A 5 -0.020 8.887 15.196 1.00 0.00 H ATOM 97 HE3 LYS A 5 -0.128 8.463 16.920 1.00 0.00 H ATOM 98 HZ1 LYS A 5 -2.431 9.151 15.150 1.00 0.00 H ATOM 99 HZ2 LYS A 5 -2.535 8.745 16.797 1.00 0.00 H ATOM 100 HZ3 LYS A 5 -1.737 10.168 16.321 1.00 0.00 H ATOM 101 H LYS A 5 2.827 5.131 15.208 1.00 0.00 H ATOM 102 N ALA A 6 1.799 1.972 14.531 1.00 33.73 N ATOM 103 CA ALA A 6 1.723 0.599 14.033 1.00 34.99 C ATOM 104 C ALA A 6 2.376 -0.373 15.020 1.00 36.41 C ATOM 105 O ALA A 6 1.837 -1.447 15.309 1.00 34.73 O ATOM 106 CB ALA A 6 2.395 0.490 12.676 1.00 36.01 C ATOM 107 HA ALA A 6 0.671 0.334 13.929 1.00 0.00 H ATOM 108 HB1 ALA A 6 1.894 1.153 11.970 1.00 0.00 H ATOM 109 HB2 ALA A 6 3.442 0.778 12.766 1.00 0.00 H ATOM 110 HB3 ALA A 6 2.329 -0.538 12.321 1.00 0.00 H ATOM 111 H ALA A 6 2.323 2.686 13.985 1.00 0.00 H ATOM 112 N VAL A 7 3.553 0.011 15.527 1.00 35.03 N ATOM 113 CA VAL A 7 4.249 -0.809 16.487 1.00 35.79 C ATOM 114 C VAL A 7 3.365 -1.059 17.743 1.00 35.68 C ATOM 115 O VAL A 7 3.255 -2.182 18.240 1.00 34.96 O ATOM 116 CB VAL A 7 5.571 -0.104 16.906 1.00 35.05 C ATOM 117 CG1 VAL A 7 6.083 -0.687 18.191 1.00 33.31 C ATOM 118 CG2 VAL A 7 6.626 -0.210 15.764 1.00 37.44 C ATOM 119 HA VAL A 7 4.474 -1.772 16.028 1.00 0.00 H ATOM 120 HB VAL A 7 5.375 0.955 17.076 1.00 0.00 H ATOM 121 HG11 VAL A 7 5.338 -0.546 18.974 1.00 0.00 H ATOM 122 HG12 VAL A 7 6.273 -1.752 18.055 1.00 0.00 H ATOM 123 HG13 VAL A 7 7.008 -0.185 18.473 1.00 0.00 H ATOM 124 HG21 VAL A 7 6.832 -1.260 15.558 1.00 0.00 H ATOM 125 HG22 VAL A 7 6.236 0.268 14.865 1.00 0.00 H ATOM 126 HG23 VAL A 7 7.545 0.288 16.073 1.00 0.00 H ATOM 127 H VAL A 7 3.972 0.914 15.224 1.00 0.00 H ATOM 128 N VAL A 8 2.695 -0.030 18.217 1.00 35.50 N ATOM 129 CA VAL A 8 1.880 -0.171 19.430 1.00 36.44 C ATOM 130 C VAL A 8 0.639 -1.028 19.142 1.00 36.52 C ATOM 131 O VAL A 8 0.152 -1.783 20.016 1.00 34.89 O ATOM 132 CB VAL A 8 1.512 1.237 19.993 1.00 36.16 C ATOM 133 CG1 VAL A 8 0.527 1.128 21.096 1.00 37.81 C ATOM 134 CG2 VAL A 8 2.771 1.952 20.462 1.00 37.76 C ATOM 135 HA VAL A 8 2.455 -0.689 20.198 1.00 0.00 H ATOM 136 HB VAL A 8 1.052 1.821 19.196 1.00 0.00 H ATOM 137 HG11 VAL A 8 -0.380 0.651 20.725 1.00 0.00 H ATOM 138 HG12 VAL A 8 0.951 0.529 21.902 1.00 0.00 H ATOM 139 HG13 VAL A 8 0.289 2.124 21.469 1.00 0.00 H ATOM 140 HG21 VAL A 8 3.250 1.365 21.245 1.00 0.00 H ATOM 141 HG22 VAL A 8 3.456 2.068 19.622 1.00 0.00 H ATOM 142 HG23 VAL A 8 2.505 2.934 20.853 1.00 0.00 H ATOM 143 H VAL A 8 2.743 0.888 17.730 1.00 0.00 H ATOM 144 N ALA A 9 0.138 -0.941 17.914 1.00 35.84 N ATOM 145 CA ALA A 9 -1.009 -1.760 17.500 1.00 34.46 C ATOM 146 C ALA A 9 -0.662 -3.249 17.503 1.00 34.88 C ATOM 147 O ALA A 9 -1.508 -4.075 17.880 1.00 34.19 O ATOM 148 CB ALA A 9 -1.512 -1.310 16.098 1.00 35.02 C ATOM 149 HA ALA A 9 -1.811 -1.611 18.223 1.00 0.00 H ATOM 150 HB1 ALA A 9 -1.816 -0.264 16.141 1.00 0.00 H ATOM 151 HB2 ALA A 9 -0.709 -1.426 15.371 1.00 0.00 H ATOM 152 HB3 ALA A 9 -2.362 -1.925 15.804 1.00 0.00 H ATOM 153 H ALA A 9 0.566 -0.281 17.234 1.00 0.00 H ATOM 154 N LEU A 10 0.557 -3.605 17.065 1.00 34.88 N ATOM 155 CA LEU A 10 1.015 -5.002 17.148 1.00 35.93 C ATOM 156 C LEU A 10 1.013 -5.506 18.591 1.00 36.58 C ATOM 157 O LEU A 10 0.536 -6.613 18.885 1.00 37.27 O ATOM 158 CB LEU A 10 2.418 -5.132 16.587 1.00 36.46 C ATOM 159 CG LEU A 10 2.588 -4.661 15.132 1.00 37.14 C ATOM 160 CD1 LEU A 10 3.997 -4.921 14.652 1.00 37.90 C ATOM 161 CD2 LEU A 10 1.588 -5.384 14.246 1.00 36.28 C ATOM 162 HA LEU A 10 0.322 -5.605 16.562 1.00 0.00 H ATOM 163 HB2 LEU A 10 3.088 -4.542 17.213 1.00 0.00 H ATOM 164 HB3 LEU A 10 2.706 -6.182 16.638 1.00 0.00 H ATOM 165 HG LEU A 10 2.404 -3.588 15.082 1.00 0.00 H ATOM 166 HD21 LEU A 10 1.763 -6.458 14.304 1.00 0.00 H ATOM 167 HD22 LEU A 10 0.576 -5.161 14.585 1.00 0.00 H ATOM 168 HD23 LEU A 10 1.709 -5.050 13.216 1.00 0.00 H ATOM 169 HD11 LEU A 10 4.701 -4.380 15.284 1.00 0.00 H ATOM 170 HD12 LEU A 10 4.206 -5.989 14.705 1.00 0.00 H ATOM 171 HD13 LEU A 10 4.097 -4.581 13.621 1.00 0.00 H ATOM 172 H LEU A 10 1.187 -2.883 16.661 1.00 0.00 H ATOM 173 N ILE A 11 1.549 -4.684 19.486 1.00 35.65 N ATOM 174 CA ILE A 11 1.533 -4.996 20.932 1.00 36.28 C ATOM 175 C ILE A 11 0.116 -5.149 21.444 1.00 36.28 C ATOM 176 O ILE A 11 -0.169 -6.135 22.118 1.00 36.57 O ATOM 177 CB ILE A 11 2.303 -3.962 21.774 1.00 36.16 C ATOM 178 CG1 ILE A 11 3.770 -3.951 21.342 1.00 35.12 C ATOM 179 CG2 ILE A 11 2.110 -4.252 23.281 1.00 37.70 C ATOM 180 CD1 ILE A 11 4.486 -2.629 21.691 1.00 32.15 C ATOM 181 HA ILE A 11 2.051 -5.948 21.045 1.00 0.00 H ATOM 182 HB ILE A 11 1.910 -2.960 21.603 1.00 0.00 H ATOM 183 HG12 ILE A 11 4.287 -4.770 21.842 1.00 0.00 H ATOM 184 HG13 ILE A 11 3.817 -4.099 20.263 1.00 0.00 H ATOM 185 HD11 ILE A 11 3.984 -1.802 21.189 1.00 0.00 H ATOM 186 HD12 ILE A 11 4.455 -2.474 22.769 1.00 0.00 H ATOM 187 HD13 ILE A 11 5.523 -2.681 21.360 1.00 0.00 H ATOM 188 HG21 ILE A 11 1.050 -4.196 23.528 1.00 0.00 H ATOM 189 HG22 ILE A 11 2.485 -5.250 23.509 1.00 0.00 H ATOM 190 HG23 ILE A 11 2.660 -3.514 23.865 1.00 0.00 H ATOM 191 H ILE A 11 1.991 -3.800 19.162 1.00 0.00 H ATOM 192 N ASP A 12 -0.771 -4.214 21.110 1.00 36.13 N ATOM 193 CA ASP A 12 -2.161 -4.261 21.599 1.00 36.73 C ATOM 194 C ASP A 12 -2.931 -5.475 21.063 1.00 36.13 C ATOM 195 O ASP A 12 -3.682 -6.091 21.822 1.00 35.04 O ATOM 196 CB ASP A 12 -2.928 -3.000 21.220 1.00 35.92 C ATOM 197 CG ASP A 12 -2.515 -1.823 22.051 1.00 42.92 C ATOM 198 OD1 ASP A 12 -1.857 -2.098 23.058 1.00 46.74 O ATOM 199 OD2 ASP A 12 -2.816 -0.651 21.719 1.00 43.88 O ATOM 200 HA ASP A 12 -2.088 -4.341 22.684 1.00 0.00 H ATOM 201 HB2 ASP A 12 -2.739 -2.774 20.170 1.00 0.00 H ATOM 202 HB3 ASP A 12 -3.993 -3.178 21.366 1.00 0.00 H ATOM 203 H ASP A 12 -0.477 -3.433 20.490 1.00 0.00 H ATOM 204 N VAL A 13 -2.772 -5.818 19.784 1.00 35.68 N ATOM 205 CA VAL A 13 -3.515 -7.026 19.322 1.00 36.56 C ATOM 206 C VAL A 13 -3.012 -8.292 19.972 1.00 36.89 C ATOM 207 O VAL A 13 -3.810 -9.229 20.199 1.00 37.34 O ATOM 208 CB VAL A 13 -3.443 -7.437 17.819 1.00 38.16 C ATOM 209 CG1 VAL A 13 -4.775 -7.289 17.064 1.00 42.16 C ATOM 210 CG2 VAL A 13 -2.153 -7.260 17.139 1.00 34.71 C ATOM 211 HA VAL A 13 -4.520 -6.691 19.578 1.00 0.00 H ATOM 212 HB VAL A 13 -3.366 -8.524 17.797 1.00 0.00 H ATOM 213 HG11 VAL A 13 -5.530 -7.919 17.534 1.00 0.00 H ATOM 214 HG12 VAL A 13 -5.097 -6.248 17.098 1.00 0.00 H ATOM 215 HG13 VAL A 13 -4.639 -7.595 16.027 1.00 0.00 H ATOM 216 HG21 VAL A 13 -1.869 -6.208 17.169 1.00 0.00 H ATOM 217 HG22 VAL A 13 -1.393 -7.857 17.643 1.00 0.00 H ATOM 218 HG23 VAL A 13 -2.243 -7.584 16.102 1.00 0.00 H ATOM 219 H VAL A 13 -2.162 -5.272 19.143 1.00 0.00 H ATOM 220 N PHE A 14 -1.705 -8.348 20.241 1.00 35.46 N ATOM 221 CA PHE A 14 -1.169 -9.538 20.882 1.00 35.70 C ATOM 222 C PHE A 14 -1.776 -9.678 22.260 1.00 36.26 C ATOM 223 O PHE A 14 -2.310 -10.764 22.594 1.00 36.84 O ATOM 224 CB PHE A 14 0.340 -9.494 20.998 1.00 36.37 C ATOM 225 CG PHE A 14 0.913 -10.695 21.736 1.00 36.04 C ATOM 226 CD1 PHE A 14 1.086 -11.926 21.079 1.00 37.15 C ATOM 227 CD2 PHE A 14 1.226 -10.603 23.090 1.00 37.99 C ATOM 228 CE1 PHE A 14 1.613 -13.027 21.739 1.00 35.40 C ATOM 229 CE2 PHE A 14 1.724 -11.743 23.781 1.00 36.06 C ATOM 230 CZ PHE A 14 1.915 -12.929 23.099 1.00 34.70 C ATOM 231 HA PHE A 14 -1.426 -10.396 20.261 1.00 0.00 H ATOM 232 HB2 PHE A 14 0.765 -9.467 19.995 1.00 0.00 H ATOM 233 HB3 PHE A 14 0.621 -8.589 21.536 1.00 0.00 H ATOM 234 HD2 PHE A 14 1.090 -9.660 23.619 1.00 0.00 H ATOM 235 HE2 PHE A 14 1.954 -11.681 24.845 1.00 0.00 H ATOM 236 HZ PHE A 14 2.306 -13.798 23.628 1.00 0.00 H ATOM 237 HE1 PHE A 14 1.789 -13.959 21.202 1.00 0.00 H ATOM 238 HD1 PHE A 14 0.801 -12.017 20.031 1.00 0.00 H ATOM 239 H PHE A 14 -1.081 -7.553 19.996 1.00 0.00 H ATOM 240 N HIS A 15 -1.759 -8.583 23.040 1.00 35.80 N ATOM 241 CA HIS A 15 -2.329 -8.622 24.411 1.00 36.99 C ATOM 242 C HIS A 15 -3.834 -8.836 24.401 1.00 37.47 C ATOM 243 O HIS A 15 -4.398 -9.466 25.310 1.00 37.28 O ATOM 244 CB HIS A 15 -2.059 -7.325 25.172 1.00 37.97 C ATOM 245 CG HIS A 15 -0.644 -7.143 25.629 1.00 43.04 C ATOM 246 ND1 HIS A 15 -0.060 -5.891 25.696 1.00 47.20 N ATOM 247 CD2 HIS A 15 0.271 -8.011 26.125 1.00 43.00 C ATOM 248 CE1 HIS A 15 1.168 -6.004 26.170 1.00 48.04 C ATOM 249 NE2 HIS A 15 1.400 -7.282 26.421 1.00 46.81 N ATOM 250 HA HIS A 15 -1.838 -9.461 24.904 1.00 0.00 H ATOM 251 HB2 HIS A 15 -2.314 -6.490 24.519 1.00 0.00 H ATOM 252 HB3 HIS A 15 -2.704 -7.308 26.051 1.00 0.00 H ATOM 253 HD2 HIS A 15 0.138 -9.084 26.263 1.00 0.00 H ATOM 254 HE1 HIS A 15 1.870 -5.185 26.327 1.00 0.00 H ATOM 255 H HIS A 15 -1.343 -7.700 22.680 1.00 0.00 H ATOM 256 N GLN A 16 -4.518 -8.299 23.399 1.00 36.69 N ATOM 257 CA GLN A 16 -5.955 -8.495 23.282 1.00 38.27 C ATOM 258 C GLN A 16 -6.358 -9.963 23.310 1.00 37.04 C ATOM 259 O GLN A 16 -7.355 -10.319 23.939 1.00 36.56 O ATOM 260 CB GLN A 16 -6.464 -7.783 22.039 1.00 37.44 C ATOM 261 CG GLN A 16 -7.924 -7.965 21.633 1.00 39.15 C ATOM 262 CD GLN A 16 -8.381 -6.885 20.654 1.00 42.52 C ATOM 263 OE1 GLN A 16 -9.587 -6.712 20.433 1.00 49.27 O ATOM 264 NE2 GLN A 16 -7.411 -6.098 20.091 1.00 46.65 N ATOM 265 HA GLN A 16 -6.429 -8.054 24.159 1.00 0.00 H ATOM 266 HB2 GLN A 16 -6.305 -6.716 22.193 1.00 0.00 H ATOM 267 HB3 GLN A 16 -5.854 -8.123 21.202 1.00 0.00 H ATOM 268 HG2 GLN A 16 -8.040 -8.941 21.161 1.00 0.00 H ATOM 269 HG3 GLN A 16 -8.547 -7.918 22.526 1.00 0.00 H ATOM 270 HE22 GLN A 16 -6.409 -6.277 20.303 1.00 0.00 H ATOM 271 HE21 GLN A 16 -7.677 -5.322 19.452 1.00 0.00 H ATOM 272 H GLN A 16 -4.019 -7.729 22.686 1.00 0.00 H ATOM 273 N TYR A 17 -5.580 -10.811 22.642 1.00 36.45 N ATOM 274 CA TYR A 17 -5.915 -12.242 22.506 1.00 36.75 C ATOM 275 C TYR A 17 -5.158 -13.118 23.502 1.00 37.13 C ATOM 276 O TYR A 17 -5.703 -14.107 23.988 1.00 35.62 O ATOM 277 CB TYR A 17 -5.755 -12.716 21.032 1.00 35.92 C ATOM 278 CG TYR A 17 -6.862 -12.118 20.203 1.00 35.66 C ATOM 279 CD1 TYR A 17 -6.710 -10.889 19.592 1.00 36.34 C ATOM 280 CD2 TYR A 17 -8.102 -12.746 20.112 1.00 34.24 C ATOM 281 CE1 TYR A 17 -7.774 -10.292 18.886 1.00 35.72 C ATOM 282 CE2 TYR A 17 -9.142 -12.181 19.418 1.00 35.31 C ATOM 283 CZ TYR A 17 -8.969 -10.977 18.785 1.00 36.12 C ATOM 284 OH TYR A 17 -10.018 -10.420 18.113 1.00 35.30 O ATOM 285 HA TYR A 17 -6.967 -12.359 22.764 1.00 0.00 H ATOM 286 HB3 TYR A 17 -5.812 -13.804 20.989 1.00 0.00 H ATOM 287 HB2 TYR A 17 -4.790 -12.389 20.645 1.00 0.00 H ATOM 288 HD2 TYR A 17 -8.249 -13.708 20.603 1.00 0.00 H ATOM 289 HE2 TYR A 17 -10.105 -12.689 19.370 1.00 0.00 H ATOM 290 HE1 TYR A 17 -7.656 -9.309 18.429 1.00 0.00 H ATOM 291 HD1 TYR A 17 -5.752 -10.372 19.657 1.00 0.00 H ATOM 292 HH TYR A 17 -9.734 -9.559 17.715 1.00 0.00 H ATOM 293 H TYR A 17 -4.708 -10.454 22.202 1.00 0.00 H ATOM 294 N SER A 18 -3.929 -12.730 23.848 1.00 37.05 N ATOM 295 CA SER A 18 -3.131 -13.570 24.752 1.00 37.38 C ATOM 296 C SER A 18 -3.665 -13.630 26.174 1.00 36.90 C ATOM 297 O SER A 18 -3.451 -14.604 26.895 1.00 35.56 O ATOM 298 CB SER A 18 -1.664 -13.114 24.745 1.00 37.68 C ATOM 299 OG SER A 18 -1.606 -11.866 25.390 1.00 38.63 O ATOM 300 HA SER A 18 -3.205 -14.586 24.365 1.00 0.00 H ATOM 301 HB2 SER A 18 -1.308 -13.020 23.719 1.00 0.00 H ATOM 302 HB3 SER A 18 -1.047 -13.837 25.277 1.00 0.00 H ATOM 303 HG SER A 18 -1.935 -11.960 26.319 1.00 0.00 H ATOM 304 H SER A 18 -3.538 -11.839 23.480 1.00 0.00 H ATOM 305 N GLY A 19 -4.383 -12.591 26.575 1.00 36.44 N ATOM 306 CA GLY A 19 -4.768 -12.443 27.975 1.00 36.71 C ATOM 307 C GLY A 19 -6.053 -13.162 28.316 1.00 37.26 C ATOM 308 O GLY A 19 -6.445 -13.219 29.486 1.00 39.04 O ATOM 309 HA3 GLY A 19 -4.896 -11.382 28.189 1.00 0.00 H ATOM 310 HA2 GLY A 19 -3.969 -12.844 28.599 1.00 0.00 H ATOM 311 H GLY A 19 -4.676 -11.872 25.883 1.00 0.00 H ATOM 312 N ARG A 20 -6.696 -13.742 27.311 1.00 36.85 N ATOM 313 CA ARG A 20 -8.037 -14.321 27.475 1.00 37.77 C ATOM 314 C ARG A 20 -8.021 -15.610 28.280 1.00 35.82 C ATOM 315 O ARG A 20 -8.932 -15.844 29.058 1.00 34.60 O ATOM 316 CB ARG A 20 -8.686 -14.581 26.104 1.00 38.69 C ATOM 317 CG ARG A 20 -8.831 -13.323 25.200 1.00 40.72 C ATOM 318 CD ARG A 20 -9.724 -13.576 23.943 1.00 42.14 C ATOM 319 NE ARG A 20 -10.093 -12.309 23.287 1.00 46.14 N ATOM 320 CZ ARG A 20 -10.981 -12.165 22.305 1.00 47.00 C ATOM 321 NH1 ARG A 20 -11.617 -13.220 21.800 1.00 44.40 N ATOM 322 NH2 ARG A 20 -11.215 -10.942 21.801 1.00 47.11 N ATOM 323 HA ARG A 20 -8.625 -13.590 28.030 1.00 0.00 H ATOM 324 HB2 ARG A 20 -8.076 -15.312 25.573 1.00 0.00 H ATOM 325 HB3 ARG A 20 -9.681 -14.994 26.272 1.00 0.00 H ATOM 326 HG2 ARG A 20 -9.277 -12.521 25.788 1.00 0.00 H ATOM 327 HG3 ARG A 20 -7.839 -13.018 24.866 1.00 0.00 H ATOM 328 HD2 ARG A 20 -10.632 -14.095 24.250 1.00 0.00 H ATOM 329 HD3 ARG A 20 -9.174 -14.196 23.235 1.00 0.00 H ATOM 330 HE ARG A 20 -9.616 -11.448 23.622 1.00 0.00 H ATOM 331 HH12 ARG A 20 -12.308 -13.093 21.033 1.00 0.00 H ATOM 332 HH11 ARG A 20 -11.423 -14.171 22.172 1.00 0.00 H ATOM 333 HH22 ARG A 20 -11.907 -10.819 21.034 1.00 0.00 H ATOM 334 HH21 ARG A 20 -10.705 -10.118 22.178 1.00 0.00 H ATOM 335 H ARG A 20 -6.237 -13.788 26.379 1.00 0.00 H ATOM 336 N GLU A 21 -7.002 -16.451 28.074 1.00 34.84 N ATOM 337 CA GLU A 21 -6.951 -17.802 28.673 1.00 34.79 C ATOM 338 C GLU A 21 -5.559 -18.198 29.111 1.00 34.77 C ATOM 339 O GLU A 21 -4.574 -17.841 28.459 1.00 34.35 O ATOM 340 CB GLU A 21 -7.366 -18.839 27.643 1.00 34.58 C ATOM 341 CG GLU A 21 -8.761 -18.706 27.047 1.00 36.49 C ATOM 342 CD GLU A 21 -8.916 -19.753 25.966 1.00 39.57 C ATOM 343 OE1 GLU A 21 -9.071 -20.925 26.332 1.00 39.61 O ATOM 344 OE2 GLU A 21 -8.769 -19.406 24.766 1.00 40.08 O ATOM 345 HA GLU A 21 -7.617 -17.769 29.535 1.00 0.00 H ATOM 346 HB2 GLU A 21 -6.652 -18.790 26.821 1.00 0.00 H ATOM 347 HB3 GLU A 21 -7.304 -19.818 28.119 1.00 0.00 H ATOM 348 HG2 GLU A 21 -9.510 -18.863 27.823 1.00 0.00 H ATOM 349 HG3 GLU A 21 -8.886 -17.712 26.618 1.00 0.00 H ATOM 350 H GLU A 21 -6.214 -16.143 27.469 1.00 0.00 H ATOM 351 N GLY A 22 -5.478 -19.028 30.149 1.00 34.67 N ATOM 352 CA GLY A 22 -4.198 -19.601 30.557 1.00 35.31 C ATOM 353 C GLY A 22 -3.068 -18.593 30.748 1.00 35.91 C ATOM 354 O GLY A 22 -3.240 -17.547 31.367 1.00 35.69 O ATOM 355 HA3 GLY A 22 -3.889 -20.315 29.793 1.00 0.00 H ATOM 356 HA2 GLY A 22 -4.348 -20.124 31.502 1.00 0.00 H ATOM 357 H GLY A 22 -6.340 -19.272 30.678 1.00 0.00 H ATOM 358 N ASP A 23 -1.907 -18.876 30.158 1.00 36.94 N ATOM 359 CA ASP A 23 -0.760 -17.979 30.252 1.00 37.16 C ATOM 360 C ASP A 23 -1.153 -16.673 29.599 1.00 38.04 C ATOM 361 O ASP A 23 -1.433 -16.641 28.413 1.00 37.04 O ATOM 362 CB ASP A 23 0.441 -18.612 29.492 1.00 38.10 C ATOM 363 CG ASP A 23 1.745 -17.804 29.608 1.00 39.05 C ATOM 364 OD1 ASP A 23 1.753 -16.549 29.646 1.00 39.49 O ATOM 365 OD2 ASP A 23 2.813 -18.452 29.591 1.00 41.60 O ATOM 366 HA ASP A 23 -0.471 -17.813 31.290 1.00 0.00 H ATOM 367 HB2 ASP A 23 0.617 -19.609 29.896 1.00 0.00 H ATOM 368 HB3 ASP A 23 0.178 -18.690 28.437 1.00 0.00 H ATOM 369 H ASP A 23 -1.816 -19.759 29.616 1.00 0.00 H ATOM 370 N LYS A 24 -1.139 -15.581 30.350 1.00 38.54 N ATOM 371 CA LYS A 24 -1.646 -14.311 29.811 1.00 39.62 C ATOM 372 C LYS A 24 -0.710 -13.653 28.799 1.00 39.90 C ATOM 373 O LYS A 24 -1.068 -12.656 28.157 1.00 39.34 O ATOM 374 CB LYS A 24 -1.978 -13.335 30.946 1.00 40.58 C ATOM 375 CG LYS A 24 -3.147 -13.771 31.791 1.00 41.54 C ATOM 376 CD LYS A 24 -3.296 -12.775 32.911 1.00 48.28 C ATOM 377 CE LYS A 24 -4.061 -13.351 34.069 1.00 51.62 C ATOM 378 NZ LYS A 24 -5.533 -13.278 33.899 1.00 53.97 N ATOM 379 HA LYS A 24 -2.556 -14.561 29.265 1.00 0.00 H ATOM 380 HB2 LYS A 24 -1.103 -13.242 31.589 1.00 0.00 H ATOM 381 HB3 LYS A 24 -2.211 -12.364 30.509 1.00 0.00 H ATOM 382 HG2 LYS A 24 -4.055 -13.791 31.188 1.00 0.00 H ATOM 383 HG3 LYS A 24 -2.961 -14.765 32.199 1.00 0.00 H ATOM 384 HD2 LYS A 24 -2.305 -12.478 33.254 1.00 0.00 H ATOM 385 HD3 LYS A 24 -3.827 -11.899 32.537 1.00 0.00 H ATOM 386 HE2 LYS A 24 -3.790 -12.801 34.970 1.00 0.00 H ATOM 387 HE3 LYS A 24 -3.778 -14.397 34.184 1.00 0.00 H ATOM 388 HZ1 LYS A 24 -5.820 -12.284 33.798 1.00 0.00 H ATOM 389 HZ2 LYS A 24 -5.809 -13.808 33.048 1.00 0.00 H ATOM 390 HZ3 LYS A 24 -5.998 -13.692 34.732 1.00 0.00 H ATOM 391 H LYS A 24 -0.769 -15.623 31.321 1.00 0.00 H ATOM 392 N HIS A 25 0.474 -14.247 28.619 1.00 40.23 N ATOM 393 CA HIS A 25 1.490 -13.704 27.715 1.00 40.77 C ATOM 394 C HIS A 25 1.832 -14.602 26.533 1.00 39.89 C ATOM 395 O HIS A 25 2.820 -14.391 25.835 1.00 40.14 O ATOM 396 CB HIS A 25 2.747 -13.433 28.513 1.00 42.66 C ATOM 397 CG HIS A 25 3.283 -12.056 28.329 1.00 46.20 C ATOM 398 ND1 HIS A 25 4.525 -11.677 28.787 1.00 51.65 N ATOM 399 CD2 HIS A 25 2.744 -10.960 27.739 1.00 48.62 C ATOM 400 CE1 HIS A 25 4.734 -10.409 28.476 1.00 52.56 C ATOM 401 NE2 HIS A 25 3.669 -9.954 27.838 1.00 53.04 N ATOM 402 HA HIS A 25 1.069 -12.795 27.286 1.00 0.00 H ATOM 403 HB2 HIS A 25 2.523 -13.578 29.570 1.00 0.00 H ATOM 404 HB3 HIS A 25 3.512 -14.145 28.204 1.00 0.00 H ATOM 405 HD2 HIS A 25 1.761 -10.892 27.274 1.00 0.00 H ATOM 406 HE1 HIS A 25 5.632 -9.836 28.707 1.00 0.00 H ATOM 407 H HIS A 25 0.680 -15.124 29.138 1.00 0.00 H ATOM 408 N LYS A 26 0.991 -15.600 26.295 1.00 37.13 N ATOM 409 CA LYS A 26 1.150 -16.435 25.134 1.00 37.70 C ATOM 410 C LYS A 26 -0.210 -16.686 24.538 1.00 36.55 C ATOM 411 O LYS A 26 -1.208 -16.663 25.256 1.00 37.36 O ATOM 412 CB LYS A 26 1.803 -17.763 25.510 1.00 36.71 C ATOM 413 CG LYS A 26 3.277 -17.661 25.961 1.00 37.04 C ATOM 414 CD LYS A 26 3.758 -19.021 26.465 1.00 37.50 C ATOM 415 CE LYS A 26 5.159 -18.922 27.072 1.00 39.31 C ATOM 416 NZ LYS A 26 5.190 -17.968 28.233 1.00 44.93 N ATOM 417 HA LYS A 26 1.794 -15.934 24.411 1.00 0.00 H ATOM 418 HB2 LYS A 26 1.229 -18.203 26.325 1.00 0.00 H ATOM 419 HB3 LYS A 26 1.760 -18.420 24.641 1.00 0.00 H ATOM 420 HG2 LYS A 26 3.893 -17.348 25.118 1.00 0.00 H ATOM 421 HG3 LYS A 26 3.361 -16.927 26.763 1.00 0.00 H ATOM 422 HD2 LYS A 26 3.066 -19.384 27.225 1.00 0.00 H ATOM 423 HD3 LYS A 26 3.780 -19.722 25.631 1.00 0.00 H ATOM 424 HE2 LYS A 26 5.853 -18.573 26.307 1.00 0.00 H ATOM 425 HE3 LYS A 26 5.467 -19.909 27.416 1.00 0.00 H ATOM 426 HZ1 LYS A 26 4.903 -17.022 27.910 1.00 0.00 H ATOM 427 HZ2 LYS A 26 4.534 -18.299 28.969 1.00 0.00 H ATOM 428 HZ3 LYS A 26 6.155 -17.926 28.620 1.00 0.00 H ATOM 429 H LYS A 26 0.208 -15.781 26.955 1.00 0.00 H ATOM 430 N LEU A 27 -0.235 -16.887 23.221 1.00 36.94 N ATOM 431 CA LEU A 27 -1.441 -17.322 22.503 1.00 35.59 C ATOM 432 C LEU A 27 -1.495 -18.840 22.472 1.00 36.42 C ATOM 433 O LEU A 27 -0.660 -19.461 21.850 1.00 36.34 O ATOM 434 CB LEU A 27 -1.427 -16.801 21.061 1.00 35.61 C ATOM 435 CG LEU A 27 -1.411 -15.279 20.858 1.00 33.87 C ATOM 436 CD1 LEU A 27 -1.018 -14.966 19.403 1.00 34.22 C ATOM 437 CD2 LEU A 27 -2.762 -14.653 21.257 1.00 31.01 C ATOM 438 HA LEU A 27 -2.313 -16.923 23.021 1.00 0.00 H ATOM 439 HB2 LEU A 27 -0.538 -17.205 20.576 1.00 0.00 H ATOM 440 HB3 LEU A 27 -2.317 -17.188 20.565 1.00 0.00 H ATOM 441 HG LEU A 27 -0.665 -14.828 21.513 1.00 0.00 H ATOM 442 HD21 LEU A 27 -3.554 -15.080 20.642 1.00 0.00 H ATOM 443 HD22 LEU A 27 -2.962 -14.864 22.308 1.00 0.00 H ATOM 444 HD23 LEU A 27 -2.721 -13.575 21.103 1.00 0.00 H ATOM 445 HD11 LEU A 27 -0.027 -15.373 19.200 1.00 0.00 H ATOM 446 HD12 LEU A 27 -1.744 -15.418 18.727 1.00 0.00 H ATOM 447 HD13 LEU A 27 -1.006 -13.886 19.256 1.00 0.00 H ATOM 448 H LEU A 27 0.637 -16.729 22.677 1.00 0.00 H ATOM 449 N LYS A 28 -2.462 -19.447 23.145 1.00 35.21 N ATOM 450 CA LYS A 28 -2.674 -20.877 22.938 1.00 36.27 C ATOM 451 C LYS A 28 -3.450 -20.999 21.651 1.00 35.76 C ATOM 452 O LYS A 28 -3.873 -19.976 21.094 1.00 37.46 O ATOM 453 CB LYS A 28 -3.430 -21.532 24.116 1.00 36.41 C ATOM 454 CG LYS A 28 -4.818 -21.005 24.401 1.00 37.18 C ATOM 455 CD LYS A 28 -5.240 -21.419 25.847 1.00 36.15 C ATOM 456 CE LYS A 28 -5.351 -22.916 26.030 1.00 40.11 C ATOM 457 NZ LYS A 28 -6.769 -23.395 25.939 1.00 39.70 N ATOM 458 HA LYS A 28 -1.721 -21.403 22.882 1.00 0.00 H ATOM 459 HB2 LYS A 28 -3.517 -22.597 23.903 1.00 0.00 H ATOM 460 HB3 LYS A 28 -2.830 -21.390 25.015 1.00 0.00 H ATOM 461 HG2 LYS A 28 -4.819 -19.918 24.318 1.00 0.00 H ATOM 462 HG3 LYS A 28 -5.522 -21.424 23.682 1.00 0.00 H ATOM 463 HD2 LYS A 28 -4.497 -21.038 26.547 1.00 0.00 H ATOM 464 HD3 LYS A 28 -6.208 -20.970 26.067 1.00 0.00 H ATOM 465 HE2 LYS A 28 -4.953 -23.180 27.010 1.00 0.00 H ATOM 466 HE3 LYS A 28 -4.763 -23.409 25.256 1.00 0.00 H ATOM 467 HZ1 LYS A 28 -7.337 -22.936 26.679 1.00 0.00 H ATOM 468 HZ2 LYS A 28 -7.156 -23.154 25.004 1.00 0.00 H ATOM 469 HZ3 LYS A 28 -6.794 -24.426 26.071 1.00 0.00 H ATOM 470 H LYS A 28 -3.059 -18.914 23.809 1.00 0.00 H ATOM 471 N LYS A 29 -3.637 -22.212 21.162 1.00 35.41 N ATOM 472 CA LYS A 29 -4.290 -22.390 19.861 1.00 35.29 C ATOM 473 C LYS A 29 -5.652 -21.733 19.776 1.00 35.46 C ATOM 474 O LYS A 29 -5.995 -21.115 18.758 1.00 34.46 O ATOM 475 CB LYS A 29 -4.329 -23.872 19.451 1.00 33.75 C ATOM 476 CG LYS A 29 -2.915 -24.381 19.032 1.00 35.59 C ATOM 477 CD LYS A 29 -2.974 -25.867 18.677 1.00 35.72 C ATOM 478 CE LYS A 29 -3.509 -26.716 19.847 1.00 41.88 C ATOM 479 NZ LYS A 29 -2.423 -27.120 20.798 1.00 45.86 N ATOM 480 HA LYS A 29 -3.672 -21.864 19.133 1.00 0.00 H ATOM 481 HB2 LYS A 29 -4.685 -24.465 20.294 1.00 0.00 H ATOM 482 HB3 LYS A 29 -5.013 -23.990 18.611 1.00 0.00 H ATOM 483 HG2 LYS A 29 -2.571 -23.817 18.165 1.00 0.00 H ATOM 484 HG3 LYS A 29 -2.220 -24.235 19.859 1.00 0.00 H ATOM 485 HD2 LYS A 29 -3.630 -25.998 17.817 1.00 0.00 H ATOM 486 HD3 LYS A 29 -1.971 -26.209 18.423 1.00 0.00 H ATOM 487 HE2 LYS A 29 -3.975 -27.615 19.444 1.00 0.00 H ATOM 488 HE3 LYS A 29 -4.254 -26.135 20.391 1.00 0.00 H ATOM 489 HZ1 LYS A 29 -1.711 -27.682 20.290 1.00 0.00 H ATOM 490 HZ2 LYS A 29 -1.976 -26.268 21.194 1.00 0.00 H ATOM 491 HZ3 LYS A 29 -2.831 -27.689 21.567 1.00 0.00 H ATOM 492 H LYS A 29 -3.320 -23.043 21.701 1.00 0.00 H ATOM 493 N SER A 30 -6.440 -21.840 20.846 1.00 35.69 N ATOM 494 CA SER A 30 -7.753 -21.198 20.853 1.00 34.80 C ATOM 495 C SER A 30 -7.673 -19.687 20.653 1.00 35.10 C ATOM 496 O SER A 30 -8.471 -19.137 19.888 1.00 34.11 O ATOM 497 CB SER A 30 -8.592 -21.610 22.104 1.00 35.54 C ATOM 498 OG SER A 30 -7.872 -21.331 23.316 1.00 33.93 O ATOM 499 HA SER A 30 -8.293 -21.573 19.984 1.00 0.00 H ATOM 500 HB2 SER A 30 -8.808 -22.677 22.054 1.00 0.00 H ATOM 501 HB3 SER A 30 -9.528 -21.051 22.107 1.00 0.00 H ATOM 502 HG SER A 30 -7.677 -20.362 23.367 1.00 0.00 H ATOM 503 H SER A 30 -6.121 -22.380 21.675 1.00 0.00 H ATOM 504 N GLU A 31 -6.704 -19.025 21.299 1.00 33.48 N ATOM 505 CA GLU A 31 -6.559 -17.577 21.210 1.00 34.35 C ATOM 506 C GLU A 31 -6.040 -17.173 19.823 1.00 34.18 C ATOM 507 O GLU A 31 -6.490 -16.200 19.232 1.00 35.15 O ATOM 508 CB GLU A 31 -5.613 -17.061 22.306 1.00 33.99 C ATOM 509 CG GLU A 31 -6.165 -17.197 23.747 1.00 32.48 C ATOM 510 CD GLU A 31 -5.088 -17.013 24.829 1.00 33.89 C ATOM 511 OE1 GLU A 31 -3.909 -17.398 24.633 1.00 34.19 O ATOM 512 OE2 GLU A 31 -5.411 -16.518 25.904 1.00 35.52 O ATOM 513 HA GLU A 31 -7.539 -17.124 21.359 1.00 0.00 H ATOM 514 HB2 GLU A 31 -4.681 -17.623 22.244 1.00 0.00 H ATOM 515 HB3 GLU A 31 -5.414 -16.006 22.115 1.00 0.00 H ATOM 516 HG2 GLU A 31 -6.937 -16.442 23.895 1.00 0.00 H ATOM 517 HG3 GLU A 31 -6.602 -18.189 23.858 1.00 0.00 H ATOM 518 H GLU A 31 -6.032 -19.562 21.884 1.00 0.00 H ATOM 519 N LEU A 32 -5.131 -17.972 19.282 1.00 33.90 N ATOM 520 CA LEU A 32 -4.583 -17.716 17.965 1.00 33.67 C ATOM 521 C LEU A 32 -5.667 -17.821 16.887 1.00 33.22 C ATOM 522 O LEU A 32 -5.690 -17.021 15.949 1.00 33.87 O ATOM 523 CB LEU A 32 -3.445 -18.706 17.682 1.00 33.78 C ATOM 524 CG LEU A 32 -2.846 -18.576 16.280 1.00 34.52 C ATOM 525 CD1 LEU A 32 -2.121 -17.176 16.062 1.00 32.82 C ATOM 526 CD2 LEU A 32 -1.932 -19.822 15.992 1.00 34.23 C ATOM 527 HA LEU A 32 -4.190 -16.700 17.941 1.00 0.00 H ATOM 528 HB2 LEU A 32 -2.653 -18.537 18.411 1.00 0.00 H ATOM 529 HB3 LEU A 32 -3.833 -19.718 17.797 1.00 0.00 H ATOM 530 HG LEU A 32 -3.647 -18.578 15.541 1.00 0.00 H ATOM 531 HD21 LEU A 32 -1.131 -19.862 16.731 1.00 0.00 H ATOM 532 HD22 LEU A 32 -2.530 -20.731 16.053 1.00 0.00 H ATOM 533 HD23 LEU A 32 -1.503 -19.733 14.994 1.00 0.00 H ATOM 534 HD11 LEU A 32 -2.842 -16.370 16.198 1.00 0.00 H ATOM 535 HD12 LEU A 32 -1.314 -17.070 16.787 1.00 0.00 H ATOM 536 HD13 LEU A 32 -1.713 -17.133 15.052 1.00 0.00 H ATOM 537 H LEU A 32 -4.803 -18.802 19.815 1.00 0.00 H ATOM 538 N LYS A 33 -6.563 -18.795 17.022 1.00 32.95 N ATOM 539 CA LYS A 33 -7.652 -18.951 16.079 1.00 31.92 C ATOM 540 C LYS A 33 -8.544 -17.722 16.101 1.00 32.33 C ATOM 541 O LYS A 33 -8.960 -17.234 15.062 1.00 33.07 O ATOM 542 CB LYS A 33 -8.480 -20.197 16.440 1.00 31.87 C ATOM 543 CG LYS A 33 -9.726 -20.362 15.593 1.00 31.82 C ATOM 544 CD LYS A 33 -10.488 -21.662 15.963 1.00 32.49 C ATOM 545 CE LYS A 33 -11.867 -21.647 15.319 1.00 36.53 C ATOM 546 NZ LYS A 33 -12.647 -22.904 15.557 1.00 40.99 N ATOM 547 HA LYS A 33 -7.236 -19.070 15.078 1.00 0.00 H ATOM 548 HB2 LYS A 33 -7.853 -21.079 16.307 1.00 0.00 H ATOM 549 HB3 LYS A 33 -8.781 -20.121 17.485 1.00 0.00 H ATOM 550 HG2 LYS A 33 -10.382 -19.507 15.755 1.00 0.00 H ATOM 551 HG3 LYS A 33 -9.439 -20.405 14.542 1.00 0.00 H ATOM 552 HD2 LYS A 33 -9.929 -22.526 15.603 1.00 0.00 H ATOM 553 HD3 LYS A 33 -10.594 -21.725 17.046 1.00 0.00 H ATOM 554 HE2 LYS A 33 -11.746 -21.513 14.244 1.00 0.00 H ATOM 555 HE3 LYS A 33 -12.430 -20.808 15.727 1.00 0.00 H ATOM 556 HZ1 LYS A 33 -12.126 -23.714 15.164 1.00 0.00 H ATOM 557 HZ2 LYS A 33 -12.780 -23.040 16.580 1.00 0.00 H ATOM 558 HZ3 LYS A 33 -13.574 -22.828 15.093 1.00 0.00 H ATOM 559 H LYS A 33 -6.480 -19.457 17.820 1.00 0.00 H ATOM 560 N GLU A 34 -8.856 -17.233 17.295 1.00 32.79 N ATOM 561 CA GLU A 34 -9.685 -16.044 17.430 1.00 34.09 C ATOM 562 C GLU A 34 -9.036 -14.819 16.822 1.00 33.49 C ATOM 563 O GLU A 34 -9.703 -14.004 16.198 1.00 34.72 O ATOM 564 CB GLU A 34 -9.970 -15.776 18.902 1.00 34.50 C ATOM 565 CG GLU A 34 -10.964 -16.784 19.535 1.00 38.63 C ATOM 566 CD GLU A 34 -12.404 -16.398 19.279 1.00 47.72 C ATOM 567 OE2 GLU A 34 -12.836 -16.428 18.103 1.00 51.51 O ATOM 568 HA GLU A 34 -10.612 -16.237 16.890 1.00 0.00 H ATOM 569 HB2 GLU A 34 -9.030 -15.828 19.451 1.00 0.00 H ATOM 570 HB3 GLU A 34 -10.389 -14.774 18.995 1.00 0.00 H ATOM 571 HG2 GLU A 34 -10.783 -17.771 19.110 1.00 0.00 H ATOM 572 HG3 GLU A 34 -10.794 -16.817 20.611 1.00 0.00 H ATOM 573 H GLU A 34 -8.502 -17.708 18.150 1.00 0.00 H ATOM 574 N LEU A 35 -7.726 -14.678 17.031 1.00 34.55 N ATOM 575 CA LEU A 35 -6.973 -13.546 16.483 1.00 33.66 C ATOM 576 C LEU A 35 -7.023 -13.547 14.954 1.00 33.66 C ATOM 577 O LEU A 35 -7.373 -12.546 14.329 1.00 34.20 O ATOM 578 CB LEU A 35 -5.532 -13.584 16.983 1.00 34.64 C ATOM 579 CG LEU A 35 -4.674 -12.362 16.620 1.00 31.81 C ATOM 580 CD1 LEU A 35 -3.559 -12.225 17.613 1.00 35.26 C ATOM 581 CD2 LEU A 35 -4.075 -12.531 15.235 1.00 33.28 C ATOM 582 HA LEU A 35 -7.435 -12.621 16.828 1.00 0.00 H ATOM 583 HB2 LEU A 35 -5.555 -13.668 18.070 1.00 0.00 H ATOM 584 HB3 LEU A 35 -5.053 -14.468 16.562 1.00 0.00 H ATOM 585 HG LEU A 35 -5.306 -11.474 16.635 1.00 0.00 H ATOM 586 HD21 LEU A 35 -3.449 -13.423 15.217 1.00 0.00 H ATOM 587 HD22 LEU A 35 -4.877 -12.633 14.504 1.00 0.00 H ATOM 588 HD23 LEU A 35 -3.470 -11.657 14.993 1.00 0.00 H ATOM 589 HD11 LEU A 35 -3.977 -12.094 18.611 1.00 0.00 H ATOM 590 HD12 LEU A 35 -2.942 -13.123 17.591 1.00 0.00 H ATOM 591 HD13 LEU A 35 -2.950 -11.358 17.356 1.00 0.00 H ATOM 592 H LEU A 35 -7.225 -15.391 17.599 1.00 0.00 H ATOM 593 N ILE A 36 -6.680 -14.681 14.356 1.00 33.20 N ATOM 594 CA ILE A 36 -6.743 -14.831 12.892 1.00 34.12 C ATOM 595 C ILE A 36 -8.132 -14.546 12.291 1.00 33.96 C ATOM 596 O ILE A 36 -8.241 -13.790 11.306 1.00 33.30 O ATOM 597 CB ILE A 36 -6.211 -16.235 12.444 1.00 34.54 C ATOM 598 CG1 ILE A 36 -4.706 -16.295 12.680 1.00 35.20 C ATOM 599 CG2 ILE A 36 -6.589 -16.549 10.971 1.00 36.13 C ATOM 600 CD1 ILE A 36 -4.151 -17.744 12.807 1.00 32.33 C ATOM 601 HA ILE A 36 -6.086 -14.060 12.490 1.00 0.00 H ATOM 602 HB ILE A 36 -6.689 -17.009 13.045 1.00 0.00 H ATOM 603 HG12 ILE A 36 -4.206 -15.807 11.843 1.00 0.00 H ATOM 604 HG13 ILE A 36 -4.480 -15.757 13.601 1.00 0.00 H ATOM 605 HD11 ILE A 36 -4.633 -18.244 13.647 1.00 0.00 H ATOM 606 HD12 ILE A 36 -4.359 -18.293 11.889 1.00 0.00 H ATOM 607 HD13 ILE A 36 -3.074 -17.706 12.974 1.00 0.00 H ATOM 608 HG21 ILE A 36 -7.674 -16.543 10.867 1.00 0.00 H ATOM 609 HG22 ILE A 36 -6.156 -15.792 10.317 1.00 0.00 H ATOM 610 HG23 ILE A 36 -6.202 -17.531 10.699 1.00 0.00 H ATOM 611 H ILE A 36 -6.359 -15.483 14.935 1.00 0.00 H ATOM 612 N ASN A 37 -9.173 -15.126 12.900 1.00 34.38 N ATOM 613 CA ASN A 37 -10.552 -15.002 12.397 1.00 34.92 C ATOM 614 C ASN A 37 -11.101 -13.599 12.568 1.00 35.65 C ATOM 615 O ASN A 37 -11.845 -13.111 11.696 1.00 35.63 O ATOM 616 CB ASN A 37 -11.493 -16.029 13.068 1.00 34.43 C ATOM 617 CG ASN A 37 -11.199 -17.468 12.652 1.00 35.31 C ATOM 618 OD1 ASN A 37 -11.706 -18.431 13.274 1.00 37.60 O ATOM 619 ND2 ASN A 37 -10.414 -17.635 11.598 1.00 32.49 N ATOM 620 HA ASN A 37 -10.510 -15.215 11.329 1.00 0.00 H ATOM 621 HB2 ASN A 37 -11.380 -15.950 14.149 1.00 0.00 H ATOM 622 HB3 ASN A 37 -12.520 -15.791 12.793 1.00 0.00 H ATOM 623 HD22 ASN A 37 -10.014 -16.808 11.111 1.00 0.00 H ATOM 624 HD21 ASN A 37 -10.198 -18.594 11.257 1.00 0.00 H ATOM 625 H ASN A 37 -9.002 -15.685 13.760 1.00 0.00 H ATOM 626 N ASN A 38 -10.733 -12.931 13.667 1.00 35.19 N ATOM 627 CA ASN A 38 -11.304 -11.589 13.937 1.00 35.89 C ATOM 628 C ASN A 38 -10.447 -10.424 13.431 1.00 36.01 C ATOM 629 O ASN A 38 -10.962 -9.312 13.224 1.00 35.97 O ATOM 630 CB ASN A 38 -11.523 -11.390 15.428 1.00 36.04 C ATOM 631 CG ASN A 38 -12.582 -12.332 16.001 1.00 40.37 C ATOM 632 OD1 ASN A 38 -13.676 -12.486 15.448 1.00 43.15 O ATOM 633 ND2 ASN A 38 -12.268 -12.937 17.124 1.00 42.53 N ATOM 634 HA ASN A 38 -12.244 -11.573 13.386 1.00 0.00 H ATOM 635 HB2 ASN A 38 -10.581 -11.568 15.946 1.00 0.00 H ATOM 636 HB3 ASN A 38 -11.841 -10.362 15.600 1.00 0.00 H ATOM 637 HD22 ASN A 38 -11.335 -12.779 17.556 1.00 0.00 H ATOM 638 HD21 ASN A 38 -12.952 -13.574 17.581 1.00 0.00 H ATOM 639 H ASN A 38 -10.050 -13.351 14.329 1.00 0.00 H ATOM 640 N GLU A 39 -9.145 -10.658 13.276 1.00 34.70 N ATOM 641 CA GLU A 39 -8.208 -9.575 12.977 1.00 34.47 C ATOM 642 C GLU A 39 -7.456 -9.742 11.661 1.00 35.42 C ATOM 643 O GLU A 39 -6.837 -8.776 11.149 1.00 36.33 O ATOM 644 CB GLU A 39 -7.226 -9.337 14.158 1.00 34.73 C ATOM 645 CG GLU A 39 -7.853 -9.302 15.583 1.00 33.91 C ATOM 646 CD GLU A 39 -8.879 -8.202 15.803 1.00 37.94 C ATOM 647 OE1 GLU A 39 -8.858 -7.202 15.055 1.00 35.10 O ATOM 648 OE2 GLU A 39 -9.685 -8.320 16.764 1.00 34.86 O ATOM 649 HA GLU A 39 -8.826 -8.686 12.848 1.00 0.00 H ATOM 650 HB2 GLU A 39 -6.486 -10.137 14.141 1.00 0.00 H ATOM 651 HB3 GLU A 39 -6.730 -8.381 13.990 1.00 0.00 H ATOM 652 HG2 GLU A 39 -8.340 -10.261 15.763 1.00 0.00 H ATOM 653 HG3 GLU A 39 -7.048 -9.164 16.304 1.00 0.00 H ATOM 654 H GLU A 39 -8.787 -11.630 13.369 1.00 0.00 H ATOM 655 N LEU A 40 -7.485 -10.943 11.086 1.00 35.19 N ATOM 656 CA LEU A 40 -6.844 -11.143 9.783 1.00 35.36 C ATOM 657 C LEU A 40 -7.807 -11.628 8.696 1.00 36.38 C ATOM 658 O LEU A 40 -7.396 -12.314 7.748 1.00 36.13 O ATOM 659 CB LEU A 40 -5.600 -12.027 9.919 1.00 34.62 C ATOM 660 CG LEU A 40 -4.527 -11.387 10.785 1.00 34.05 C ATOM 661 CD1 LEU A 40 -3.496 -12.446 11.244 1.00 35.52 C ATOM 662 CD2 LEU A 40 -3.758 -10.312 9.962 1.00 34.71 C ATOM 663 HA LEU A 40 -6.515 -10.163 9.437 1.00 0.00 H ATOM 664 HB2 LEU A 40 -5.892 -12.977 10.367 1.00 0.00 H ATOM 665 HB3 LEU A 40 -5.188 -12.207 8.926 1.00 0.00 H ATOM 666 HG LEU A 40 -5.017 -10.939 11.650 1.00 0.00 H ATOM 667 HD21 LEU A 40 -3.291 -10.784 9.097 1.00 0.00 H ATOM 668 HD22 LEU A 40 -4.456 -9.545 9.626 1.00 0.00 H ATOM 669 HD23 LEU A 40 -2.991 -9.857 10.588 1.00 0.00 H ATOM 670 HD11 LEU A 40 -4.003 -13.219 11.822 1.00 0.00 H ATOM 671 HD12 LEU A 40 -3.024 -12.895 10.370 1.00 0.00 H ATOM 672 HD13 LEU A 40 -2.737 -11.968 11.863 1.00 0.00 H ATOM 673 H LEU A 40 -7.961 -11.737 11.560 1.00 0.00 H ATOM 674 N SER A 41 -9.064 -11.205 8.827 1.00 36.94 N ATOM 675 CA SER A 41 -10.145 -11.681 7.941 1.00 39.22 C ATOM 676 C SER A 41 -9.989 -11.234 6.481 1.00 39.96 C ATOM 677 O SER A 41 -10.647 -11.775 5.598 1.00 40.76 O ATOM 678 CB SER A 41 -11.518 -11.291 8.484 1.00 39.66 C ATOM 679 OG SER A 41 -11.753 -9.904 8.349 1.00 41.62 O ATOM 680 HA SER A 41 -10.063 -12.768 7.936 1.00 0.00 H ATOM 681 HB2 SER A 41 -11.571 -11.559 9.539 1.00 0.00 H ATOM 682 HB3 SER A 41 -12.285 -11.836 7.933 1.00 0.00 H ATOM 683 HG SER A 41 -11.063 -9.403 8.852 1.00 0.00 H ATOM 684 H SER A 41 -9.290 -10.519 9.575 1.00 0.00 H ATOM 685 N HIS A 42 -9.124 -10.258 6.216 1.00 40.65 N ATOM 686 CA HIS A 42 -8.907 -9.812 4.839 1.00 42.09 C ATOM 687 C HIS A 42 -7.647 -10.407 4.260 1.00 42.34 C ATOM 688 O HIS A 42 -7.530 -10.554 3.038 1.00 42.80 O ATOM 689 CB HIS A 42 -8.841 -8.285 4.761 1.00 42.83 C ATOM 690 CG HIS A 42 -10.105 -7.610 5.193 1.00 42.36 C ATOM 691 ND1 HIS A 42 -10.243 -7.002 6.426 1.00 41.66 N ATOM 692 CD2 HIS A 42 -11.295 -7.463 4.563 1.00 41.54 C ATOM 693 CE1 HIS A 42 -11.460 -6.499 6.528 1.00 42.80 C ATOM 694 NE2 HIS A 42 -12.121 -6.774 5.416 1.00 41.56 N ATOM 695 HA HIS A 42 -9.756 -10.159 4.250 1.00 0.00 H ATOM 696 HB2 HIS A 42 -8.029 -7.941 5.402 1.00 0.00 H ATOM 697 HB3 HIS A 42 -8.633 -8.001 3.730 1.00 0.00 H ATOM 698 HD2 HIS A 42 -11.549 -7.824 3.566 1.00 0.00 H ATOM 699 HE1 HIS A 42 -11.853 -5.950 7.384 1.00 0.00 H ATOM 700 H HIS A 42 -8.598 -9.809 6.993 1.00 0.00 H ATOM 701 N PHE A 43 -6.730 -10.781 5.143 1.00 41.72 N ATOM 702 CA PHE A 43 -5.447 -11.360 4.748 1.00 42.81 C ATOM 703 C PHE A 43 -5.425 -12.880 4.734 1.00 42.49 C ATOM 704 O PHE A 43 -4.666 -13.479 3.960 1.00 43.56 O ATOM 705 CB PHE A 43 -4.312 -10.876 5.666 1.00 41.91 C ATOM 706 CG PHE A 43 -4.025 -9.392 5.579 1.00 44.31 C ATOM 707 CD1 PHE A 43 -4.644 -8.584 4.627 1.00 44.86 C ATOM 708 CD2 PHE A 43 -3.079 -8.816 6.440 1.00 43.92 C ATOM 709 CE1 PHE A 43 -4.359 -7.215 4.549 1.00 46.95 C ATOM 710 CE2 PHE A 43 -2.778 -7.457 6.365 1.00 45.09 C ATOM 711 CZ PHE A 43 -3.423 -6.662 5.418 1.00 43.93 C ATOM 712 HA PHE A 43 -5.298 -11.015 3.725 1.00 0.00 H ATOM 713 HB2 PHE A 43 -4.582 -11.111 6.695 1.00 0.00 H ATOM 714 HB3 PHE A 43 -3.403 -11.415 5.398 1.00 0.00 H ATOM 715 HD2 PHE A 43 -2.573 -9.439 7.177 1.00 0.00 H ATOM 716 HE2 PHE A 43 -2.044 -7.019 7.041 1.00 0.00 H ATOM 717 HZ PHE A 43 -3.192 -5.598 5.358 1.00 0.00 H ATOM 718 HE1 PHE A 43 -4.865 -6.589 3.815 1.00 0.00 H ATOM 719 HD1 PHE A 43 -5.360 -9.024 3.933 1.00 0.00 H ATOM 720 H PHE A 43 -6.932 -10.657 6.156 1.00 0.00 H ATOM 721 N LEU A 44 -6.215 -13.505 5.602 1.00 42.59 N ATOM 722 CA LEU A 44 -6.153 -14.956 5.780 1.00 42.62 C ATOM 723 C LEU A 44 -7.535 -15.598 5.799 1.00 42.52 C ATOM 724 O LEU A 44 -8.505 -15.017 6.272 1.00 40.38 O ATOM 725 CB LEU A 44 -5.433 -15.312 7.084 1.00 42.26 C ATOM 726 CG LEU A 44 -3.934 -15.028 7.254 1.00 43.38 C ATOM 727 CD1 LEU A 44 -3.490 -15.386 8.674 1.00 43.28 C ATOM 728 CD2 LEU A 44 -3.075 -15.764 6.188 1.00 46.16 C ATOM 729 HA LEU A 44 -5.601 -15.345 4.925 1.00 0.00 H ATOM 730 HB2 LEU A 44 -5.945 -14.772 7.880 1.00 0.00 H ATOM 731 HB3 LEU A 44 -5.566 -16.384 7.231 1.00 0.00 H ATOM 732 HG LEU A 44 -3.774 -13.961 7.097 1.00 0.00 H ATOM 733 HD21 LEU A 44 -3.230 -16.839 6.278 1.00 0.00 H ATOM 734 HD22 LEU A 44 -3.373 -15.435 5.193 1.00 0.00 H ATOM 735 HD23 LEU A 44 -2.022 -15.533 6.349 1.00 0.00 H ATOM 736 HD11 LEU A 44 -4.052 -14.787 9.391 1.00 0.00 H ATOM 737 HD12 LEU A 44 -3.678 -16.444 8.856 1.00 0.00 H ATOM 738 HD13 LEU A 44 -2.425 -15.180 8.783 1.00 0.00 H ATOM 739 H LEU A 44 -6.891 -12.951 6.166 1.00 0.00 H ATOM 740 N GLU A 45 -7.592 -16.827 5.300 1.00 43.54 N ATOM 741 CA GLU A 45 -8.826 -17.585 5.223 1.00 42.89 C ATOM 742 C GLU A 45 -9.329 -17.876 6.645 1.00 43.36 C ATOM 743 O GLU A 45 -8.535 -18.162 7.532 1.00 43.35 O ATOM 744 CB GLU A 45 -8.555 -18.895 4.459 1.00 44.17 C ATOM 745 CG GLU A 45 -8.211 -18.719 2.961 1.00 44.05 C ATOM 746 HA GLU A 45 -9.592 -17.018 4.694 1.00 0.00 H ATOM 747 HB2 GLU A 45 -7.719 -19.401 4.941 1.00 0.00 H ATOM 748 HB3 GLU A 45 -9.446 -19.519 4.531 1.00 0.00 H ATOM 749 HG2 GLU A 45 -9.041 -18.227 2.454 1.00 0.00 H ATOM 750 HG3 GLU A 45 -7.313 -18.109 2.865 1.00 0.00 H ATOM 751 H GLU A 45 -6.716 -17.264 4.950 1.00 0.00 H ATOM 752 N GLU A 46 -10.633 -17.787 6.880 1.00 43.31 N ATOM 753 CA GLU A 46 -11.177 -18.131 8.201 1.00 43.22 C ATOM 754 C GLU A 46 -10.815 -19.562 8.588 1.00 43.28 C ATOM 755 O GLU A 46 -10.921 -20.468 7.762 1.00 43.79 O ATOM 756 CB GLU A 46 -12.695 -17.952 8.232 1.00 43.09 C ATOM 757 CG GLU A 46 -13.315 -18.139 9.602 1.00 41.80 C ATOM 758 CD GLU A 46 -14.834 -18.114 9.550 1.00 42.56 C ATOM 759 OE1 GLU A 46 -15.389 -17.616 8.543 1.00 42.10 O ATOM 760 OE2 GLU A 46 -15.465 -18.607 10.519 1.00 41.46 O ATOM 761 HA GLU A 46 -10.730 -17.451 8.926 1.00 0.00 H ATOM 762 HB2 GLU A 46 -12.928 -16.945 7.886 1.00 0.00 H ATOM 763 HB3 GLU A 46 -13.139 -18.680 7.553 1.00 0.00 H ATOM 764 HG2 GLU A 46 -12.993 -19.099 10.006 1.00 0.00 H ATOM 765 HG3 GLU A 46 -12.972 -17.337 10.256 1.00 0.00 H ATOM 766 H GLU A 46 -11.274 -17.472 6.124 1.00 0.00 H ATOM 767 N ILE A 47 -10.379 -19.762 9.833 1.00 43.01 N ATOM 768 CA ILE A 47 -10.129 -21.116 10.376 1.00 42.77 C ATOM 769 C ILE A 47 -11.365 -21.689 11.083 1.00 43.21 C ATOM 770 O ILE A 47 -11.883 -21.093 12.041 1.00 42.48 O ATOM 771 CB ILE A 47 -8.960 -21.132 11.378 1.00 42.92 C ATOM 772 CG1 ILE A 47 -7.689 -20.543 10.745 1.00 42.41 C ATOM 773 CG2 ILE A 47 -8.723 -22.569 11.896 1.00 43.48 C ATOM 774 CD1 ILE A 47 -6.525 -20.305 11.733 1.00 41.74 C ATOM 775 HA ILE A 47 -9.880 -21.732 9.512 1.00 0.00 H ATOM 776 HB ILE A 47 -9.219 -20.504 12.230 1.00 0.00 H ATOM 777 HG12 ILE A 47 -7.344 -21.231 9.973 1.00 0.00 H ATOM 778 HG13 ILE A 47 -7.948 -19.587 10.289 1.00 0.00 H ATOM 779 HD11 ILE A 47 -6.844 -19.607 12.507 1.00 0.00 H ATOM 780 HD12 ILE A 47 -6.239 -21.252 12.191 1.00 0.00 H ATOM 781 HD13 ILE A 47 -5.673 -19.888 11.195 1.00 0.00 H ATOM 782 HG21 ILE A 47 -9.625 -22.928 12.392 1.00 0.00 H ATOM 783 HG22 ILE A 47 -8.484 -23.222 11.056 1.00 0.00 H ATOM 784 HG23 ILE A 47 -7.894 -22.567 12.604 1.00 0.00 H ATOM 785 H ILE A 47 -10.209 -18.937 10.443 1.00 0.00 H ATOM 786 N LYS A 48 -11.786 -22.871 10.632 1.00 43.88 N ATOM 787 CA LYS A 48 -12.980 -23.571 11.131 1.00 44.43 C ATOM 788 C LYS A 48 -12.661 -24.936 11.759 1.00 44.59 C ATOM 789 O LYS A 48 -13.463 -25.456 12.554 1.00 45.34 O ATOM 790 CB LYS A 48 -13.969 -23.783 9.979 1.00 44.62 C ATOM 791 CG LYS A 48 -14.822 -22.563 9.661 1.00 45.44 C ATOM 792 CD LYS A 48 -16.231 -22.725 10.217 1.00 46.17 C ATOM 793 HA LYS A 48 -13.408 -22.941 11.911 1.00 0.00 H ATOM 794 HB2 LYS A 48 -13.403 -24.048 9.086 1.00 0.00 H ATOM 795 HB3 LYS A 48 -14.633 -24.606 10.244 1.00 0.00 H ATOM 796 HG2 LYS A 48 -14.362 -21.680 10.105 1.00 0.00 H ATOM 797 HG3 LYS A 48 -14.877 -22.438 8.580 1.00 0.00 H ATOM 798 HD2 LYS A 48 -16.697 -23.605 9.772 1.00 0.00 H ATOM 799 HD3 LYS A 48 -16.181 -22.846 11.299 1.00 0.00 H ATOM 800 H LYS A 48 -11.234 -23.328 9.878 1.00 0.00 H ATOM 801 N GLU A 49 -11.515 -25.505 11.372 1.00 43.80 N ATOM 802 CA GLU A 49 -11.052 -26.839 11.755 1.00 43.84 C ATOM 803 C GLU A 49 -9.843 -26.836 12.693 1.00 43.78 C ATOM 804 O GLU A 49 -8.902 -26.045 12.508 1.00 43.04 O ATOM 805 CB GLU A 49 -10.650 -27.615 10.500 1.00 44.23 C ATOM 806 CG GLU A 49 -11.823 -28.102 9.647 1.00 46.06 C ATOM 807 CD GLU A 49 -12.710 -29.098 10.368 1.00 49.68 C ATOM 808 OE1 GLU A 49 -12.196 -30.159 10.804 1.00 52.09 O ATOM 809 OE2 GLU A 49 -13.932 -28.834 10.474 1.00 49.65 O ATOM 810 HA GLU A 49 -11.885 -27.299 12.286 1.00 0.00 H ATOM 811 HB2 GLU A 49 -10.028 -26.966 9.884 1.00 0.00 H ATOM 812 HB3 GLU A 49 -10.070 -28.485 10.809 1.00 0.00 H ATOM 813 HG2 GLU A 49 -12.427 -27.240 9.364 1.00 0.00 H ATOM 814 HG3 GLU A 49 -11.426 -28.577 8.750 1.00 0.00 H ATOM 815 H GLU A 49 -10.899 -24.951 10.744 1.00 0.00 H ATOM 816 N GLN A 50 -9.844 -27.752 13.666 1.00 43.14 N ATOM 817 CA GLN A 50 -8.732 -27.844 14.625 1.00 43.12 C ATOM 818 C GLN A 50 -7.427 -28.149 13.882 1.00 42.63 C ATOM 819 O GLN A 50 -6.372 -27.626 14.222 1.00 42.20 O ATOM 820 CB GLN A 50 -9.001 -28.901 15.711 1.00 43.68 C ATOM 821 CG GLN A 50 -7.962 -28.945 16.855 1.00 45.43 C ATOM 822 CD GLN A 50 -8.002 -27.744 17.794 1.00 48.33 C ATOM 823 OE1 GLN A 50 -9.072 -27.177 18.076 1.00 48.45 O ATOM 824 NE2 GLN A 50 -6.824 -27.342 18.290 1.00 49.59 N ATOM 825 HA GLN A 50 -8.640 -26.882 15.129 1.00 0.00 H ATOM 826 HB2 GLN A 50 -9.977 -28.695 16.149 1.00 0.00 H ATOM 827 HB3 GLN A 50 -9.019 -29.880 15.233 1.00 0.00 H ATOM 828 HG2 GLN A 50 -8.142 -29.844 17.444 1.00 0.00 H ATOM 829 HG3 GLN A 50 -6.968 -28.997 16.410 1.00 0.00 H ATOM 830 HE22 GLN A 50 -5.951 -27.844 18.029 1.00 0.00 H ATOM 831 HE21 GLN A 50 -6.782 -26.528 18.936 1.00 0.00 H ATOM 832 H GLN A 50 -10.644 -28.411 13.747 1.00 0.00 H ATOM 833 N GLU A 51 -7.533 -29.013 12.855 1.00 41.53 N ATOM 834 CA GLU A 51 -6.392 -29.343 12.006 1.00 41.16 C ATOM 835 C GLU A 51 -5.646 -28.120 11.510 1.00 40.54 C ATOM 836 O GLU A 51 -4.409 -28.117 11.513 1.00 41.00 O ATOM 837 CB GLU A 51 -6.834 -30.183 10.794 1.00 41.60 C ATOM 838 HA GLU A 51 -5.712 -29.918 12.635 1.00 0.00 H ATOM 839 HB2 GLU A 51 -7.292 -31.109 11.143 1.00 0.00 H ATOM 840 HB3 GLU A 51 -7.557 -29.618 10.206 1.00 0.00 H ATOM 841 H GLU A 51 -8.453 -29.458 12.661 1.00 0.00 H ATOM 842 N VAL A 52 -6.388 -27.111 11.057 1.00 39.88 N ATOM 843 CA VAL A 52 -5.799 -25.911 10.438 1.00 39.55 C ATOM 844 C VAL A 52 -5.083 -25.007 11.437 1.00 39.40 C ATOM 845 O VAL A 52 -3.988 -24.503 11.143 1.00 38.75 O ATOM 846 CB VAL A 52 -6.843 -25.105 9.615 1.00 39.39 C ATOM 847 CG1 VAL A 52 -6.214 -23.900 8.943 1.00 39.37 C ATOM 848 CG2 VAL A 52 -7.498 -25.996 8.572 1.00 39.47 C ATOM 849 HA VAL A 52 -5.040 -26.284 9.750 1.00 0.00 H ATOM 850 HB VAL A 52 -7.602 -24.746 10.310 1.00 0.00 H ATOM 851 HG11 VAL A 52 -5.791 -23.242 9.702 1.00 0.00 H ATOM 852 HG12 VAL A 52 -5.425 -24.232 8.268 1.00 0.00 H ATOM 853 HG13 VAL A 52 -6.975 -23.362 8.378 1.00 0.00 H ATOM 854 HG21 VAL A 52 -6.735 -26.384 7.897 1.00 0.00 H ATOM 855 HG22 VAL A 52 -8.001 -26.826 9.069 1.00 0.00 H ATOM 856 HG23 VAL A 52 -8.226 -25.415 8.005 1.00 0.00 H ATOM 857 H VAL A 52 -7.423 -27.173 11.144 1.00 0.00 H ATOM 858 N VAL A 53 -5.675 -24.789 12.616 1.00 39.38 N ATOM 859 CA VAL A 53 -4.951 -24.029 13.631 1.00 39.15 C ATOM 860 C VAL A 53 -3.778 -24.855 14.190 1.00 39.60 C ATOM 861 O VAL A 53 -2.737 -24.297 14.515 1.00 39.53 O ATOM 862 CB VAL A 53 -5.858 -23.458 14.747 1.00 39.84 C ATOM 863 CG1 VAL A 53 -6.274 -24.530 15.740 1.00 39.93 C ATOM 864 CG2 VAL A 53 -5.195 -22.244 15.442 1.00 39.52 C ATOM 865 HA VAL A 53 -4.542 -23.150 13.134 1.00 0.00 H ATOM 866 HB VAL A 53 -6.773 -23.099 14.276 1.00 0.00 H ATOM 867 HG11 VAL A 53 -6.824 -25.313 15.218 1.00 0.00 H ATOM 868 HG12 VAL A 53 -5.386 -24.957 16.205 1.00 0.00 H ATOM 869 HG13 VAL A 53 -6.910 -24.087 16.506 1.00 0.00 H ATOM 870 HG21 VAL A 53 -4.249 -22.553 15.887 1.00 0.00 H ATOM 871 HG22 VAL A 53 -5.013 -21.460 14.706 1.00 0.00 H ATOM 872 HG23 VAL A 53 -5.858 -21.866 16.221 1.00 0.00 H ATOM 873 H VAL A 53 -6.631 -25.153 12.806 1.00 0.00 H ATOM 874 N ASP A 54 -3.936 -26.175 14.296 1.00 39.85 N ATOM 875 CA ASP A 54 -2.788 -27.033 14.645 1.00 40.50 C ATOM 876 C ASP A 54 -1.587 -26.737 13.748 1.00 40.28 C ATOM 877 O ASP A 54 -0.486 -26.525 14.245 1.00 41.30 O ATOM 878 CB ASP A 54 -3.118 -28.515 14.566 1.00 40.76 C ATOM 879 CG ASP A 54 -4.104 -28.951 15.631 1.00 41.57 C ATOM 880 OD1 ASP A 54 -4.263 -28.242 16.656 1.00 44.00 O ATOM 881 OD2 ASP A 54 -4.720 -30.011 15.423 1.00 41.68 O ATOM 882 HA ASP A 54 -2.541 -26.797 15.680 1.00 0.00 H ATOM 883 HB2 ASP A 54 -3.546 -28.726 13.586 1.00 0.00 H ATOM 884 HB3 ASP A 54 -2.197 -29.085 14.688 1.00 0.00 H ATOM 885 H ASP A 54 -4.871 -26.600 14.132 1.00 0.00 H ATOM 886 N LYS A 55 -1.834 -26.699 12.441 1.00 39.52 N ATOM 887 CA LYS A 55 -0.798 -26.491 11.430 1.00 38.97 C ATOM 888 C LYS A 55 -0.179 -25.102 11.554 1.00 38.53 C ATOM 889 O LYS A 55 1.054 -24.970 11.550 1.00 38.17 O ATOM 890 CB LYS A 55 -1.368 -26.749 10.020 1.00 38.99 C ATOM 891 CG LYS A 55 -0.564 -26.122 8.866 1.00 40.77 C ATOM 892 HA LYS A 55 0.005 -27.209 11.599 1.00 0.00 H ATOM 893 HB2 LYS A 55 -1.403 -27.827 9.861 1.00 0.00 H ATOM 894 HB3 LYS A 55 -2.380 -26.345 9.985 1.00 0.00 H ATOM 895 HG2 LYS A 55 -0.529 -25.040 8.995 1.00 0.00 H ATOM 896 HG3 LYS A 55 0.450 -26.523 8.871 1.00 0.00 H ATOM 897 H LYS A 55 -2.816 -26.824 12.122 1.00 0.00 H ATOM 898 N VAL A 56 -0.999 -24.059 11.670 1.00 37.28 N ATOM 899 CA VAL A 56 -0.468 -22.710 11.877 1.00 36.70 C ATOM 900 C VAL A 56 0.344 -22.641 13.142 1.00 36.07 C ATOM 901 O VAL A 56 1.438 -22.085 13.129 1.00 37.16 O ATOM 902 CB VAL A 56 -1.577 -21.594 11.908 1.00 35.95 C ATOM 903 CG1 VAL A 56 -0.910 -20.186 12.030 1.00 37.12 C ATOM 904 CG2 VAL A 56 -2.371 -21.668 10.652 1.00 38.37 C ATOM 905 HA VAL A 56 0.166 -22.510 11.013 1.00 0.00 H ATOM 906 HB VAL A 56 -2.230 -21.749 12.767 1.00 0.00 H ATOM 907 HG11 VAL A 56 -0.327 -20.140 12.950 1.00 0.00 H ATOM 908 HG12 VAL A 56 -0.255 -20.020 11.174 1.00 0.00 H ATOM 909 HG13 VAL A 56 -1.684 -19.419 12.051 1.00 0.00 H ATOM 910 HG21 VAL A 56 -1.713 -21.510 9.798 1.00 0.00 H ATOM 911 HG22 VAL A 56 -2.838 -22.650 10.576 1.00 0.00 H ATOM 912 HG23 VAL A 56 -3.142 -20.898 10.665 1.00 0.00 H ATOM 913 H VAL A 56 -2.027 -24.204 11.613 1.00 0.00 H ATOM 914 N MET A 57 -0.152 -23.216 14.239 1.00 35.82 N ATOM 915 CA MET A 57 0.644 -23.213 15.484 1.00 35.70 C ATOM 916 C MET A 57 1.946 -23.979 15.298 1.00 36.02 C ATOM 917 O MET A 57 2.985 -23.588 15.841 1.00 36.50 O ATOM 918 CB MET A 57 -0.138 -23.782 16.690 1.00 35.44 C ATOM 919 CG MET A 57 0.605 -23.642 18.049 1.00 35.56 C ATOM 920 SD MET A 57 0.956 -21.904 18.533 1.00 39.74 S ATOM 921 CE MET A 57 -0.604 -21.501 19.307 1.00 35.90 C ATOM 922 HA MET A 57 0.870 -22.170 15.704 1.00 0.00 H ATOM 923 HB2 MET A 57 -1.088 -23.253 16.763 1.00 0.00 H ATOM 924 HB3 MET A 57 -0.325 -24.840 16.509 1.00 0.00 H ATOM 925 HG2 MET A 57 1.552 -24.177 17.979 1.00 0.00 H ATOM 926 HG3 MET A 57 -0.011 -24.097 18.825 1.00 0.00 H ATOM 927 HE1 MET A 57 -1.408 -21.611 18.580 1.00 0.00 H ATOM 928 HE2 MET A 57 -0.777 -22.175 20.146 1.00 0.00 H ATOM 929 HE3 MET A 57 -0.575 -20.472 19.666 1.00 0.00 H ATOM 930 H MET A 57 -1.091 -23.663 14.218 1.00 0.00 H ATOM 931 N GLU A 58 1.916 -25.064 14.527 1.00 35.45 N ATOM 932 CA GLU A 58 3.160 -25.828 14.303 1.00 35.66 C ATOM 933 C GLU A 58 4.204 -24.933 13.647 1.00 36.05 C ATOM 934 O GLU A 58 5.390 -25.073 13.929 1.00 37.73 O ATOM 935 CB GLU A 58 2.933 -27.049 13.418 1.00 35.14 C ATOM 936 CG GLU A 58 4.142 -28.078 13.366 1.00 36.24 C ATOM 937 CD GLU A 58 5.215 -27.766 12.292 1.00 39.66 C ATOM 938 OE1 GLU A 58 6.294 -28.391 12.331 1.00 39.03 O ATOM 939 OE2 GLU A 58 4.991 -26.946 11.385 1.00 40.76 O ATOM 940 HA GLU A 58 3.507 -26.173 15.277 1.00 0.00 H ATOM 941 HB2 GLU A 58 2.055 -27.577 13.790 1.00 0.00 H ATOM 942 HB3 GLU A 58 2.742 -26.700 12.403 1.00 0.00 H ATOM 943 HG2 GLU A 58 4.629 -28.080 14.341 1.00 0.00 H ATOM 944 HG3 GLU A 58 3.736 -29.069 13.162 1.00 0.00 H ATOM 945 H GLU A 58 1.025 -25.371 14.087 1.00 0.00 H ATOM 946 N THR A 59 3.769 -24.109 12.691 1.00 36.03 N ATOM 947 CA THR A 59 4.657 -23.238 11.928 1.00 36.87 C ATOM 948 C THR A 59 5.252 -22.185 12.861 1.00 36.93 C ATOM 949 O THR A 59 6.462 -21.890 12.837 1.00 37.00 O ATOM 950 CB THR A 59 3.882 -22.607 10.741 1.00 37.11 C ATOM 951 OG1 THR A 59 3.483 -23.640 9.831 1.00 38.77 O ATOM 952 CG2 THR A 59 4.744 -21.597 9.968 1.00 39.01 C ATOM 953 HA THR A 59 5.482 -23.811 11.505 1.00 0.00 H ATOM 954 HB THR A 59 3.017 -22.087 11.153 1.00 0.00 H ATOM 955 HG1 THR A 59 2.988 -23.238 9.073 1.00 0.00 H ATOM 956 HG23 THR A 59 5.060 -20.800 10.642 1.00 0.00 H ATOM 957 HG21 THR A 59 5.621 -22.103 9.565 1.00 0.00 H ATOM 958 HG22 THR A 59 4.160 -21.174 9.151 1.00 0.00 H ATOM 959 H THR A 59 2.751 -24.087 12.480 1.00 0.00 H ATOM 960 N LEU A 60 4.407 -21.629 13.708 1.00 37.74 N ATOM 961 CA LEU A 60 4.786 -20.487 14.532 1.00 38.38 C ATOM 962 C LEU A 60 5.546 -20.869 15.771 1.00 39.55 C ATOM 963 O LEU A 60 6.278 -20.041 16.324 1.00 38.79 O ATOM 964 CB LEU A 60 3.530 -19.757 15.017 1.00 38.08 C ATOM 965 CG LEU A 60 2.647 -19.146 13.948 1.00 39.18 C ATOM 966 CD1 LEU A 60 1.612 -18.227 14.660 1.00 35.41 C ATOM 967 CD2 LEU A 60 3.545 -18.370 13.017 1.00 41.29 C ATOM 968 HA LEU A 60 5.420 -19.868 13.896 1.00 0.00 H ATOM 969 HB2 LEU A 60 2.927 -20.472 15.576 1.00 0.00 H ATOM 970 HB3 LEU A 60 3.849 -18.954 15.682 1.00 0.00 H ATOM 971 HG LEU A 60 2.102 -19.891 13.368 1.00 0.00 H ATOM 972 HD21 LEU A 60 4.063 -17.592 13.578 1.00 0.00 H ATOM 973 HD22 LEU A 60 4.275 -19.046 12.572 1.00 0.00 H ATOM 974 HD23 LEU A 60 2.944 -17.914 12.231 1.00 0.00 H ATOM 975 HD11 LEU A 60 1.015 -18.822 15.352 1.00 0.00 H ATOM 976 HD12 LEU A 60 2.138 -17.447 15.210 1.00 0.00 H ATOM 977 HD13 LEU A 60 0.960 -17.771 13.915 1.00 0.00 H ATOM 978 H LEU A 60 3.445 -22.015 13.790 1.00 0.00 H ATOM 979 N ASP A 61 5.351 -22.101 16.234 1.00 39.14 N ATOM 980 CA ASP A 61 5.835 -22.477 17.574 1.00 40.43 C ATOM 981 C ASP A 61 7.278 -22.979 17.580 1.00 40.55 C ATOM 982 O ASP A 61 7.503 -24.170 17.511 1.00 42.34 O ATOM 983 CB ASP A 61 4.868 -23.489 18.245 1.00 40.03 C ATOM 984 CG ASP A 61 5.349 -23.965 19.617 1.00 40.50 C ATOM 985 OD1 ASP A 61 6.110 -23.234 20.274 1.00 38.00 O ATOM 986 OD2 ASP A 61 4.998 -25.094 20.048 1.00 39.53 O ATOM 987 HA ASP A 61 5.844 -21.564 18.170 1.00 0.00 H ATOM 988 HB2 ASP A 61 3.896 -23.012 18.365 1.00 0.00 H ATOM 989 HB3 ASP A 61 4.767 -24.357 17.593 1.00 0.00 H ATOM 990 H ASP A 61 4.855 -22.802 15.647 1.00 0.00 H ATOM 991 N SER A 62 8.238 -22.083 17.734 1.00 39.94 N ATOM 992 CA SER A 62 9.662 -22.440 17.620 1.00 40.04 C ATOM 993 C SER A 62 10.273 -23.143 18.841 1.00 39.96 C ATOM 994 O SER A 62 11.310 -23.805 18.725 1.00 40.61 O ATOM 995 CB SER A 62 10.486 -21.200 17.237 1.00 39.55 C ATOM 996 OG SER A 62 10.064 -20.664 15.988 1.00 42.66 O ATOM 997 HA SER A 62 9.704 -23.190 16.830 1.00 0.00 H ATOM 998 HB2 SER A 62 11.537 -21.480 17.167 1.00 0.00 H ATOM 999 HB3 SER A 62 10.364 -20.440 18.009 1.00 0.00 H ATOM 1000 HG SER A 62 10.612 -19.869 15.769 1.00 0.00 H ATOM 1001 H SER A 62 7.980 -21.097 17.942 1.00 0.00 H ATOM 1002 N ASP A 63 9.666 -23.024 20.018 1.00 39.81 N ATOM 1003 CA ASP A 63 10.212 -23.702 21.185 1.00 40.49 C ATOM 1004 C ASP A 63 9.381 -24.888 21.664 1.00 41.64 C ATOM 1005 O ASP A 63 9.574 -25.396 22.775 1.00 43.25 O ATOM 1006 CB ASP A 63 10.496 -22.721 22.331 1.00 40.95 C ATOM 1007 CG ASP A 63 9.258 -22.004 22.813 1.00 40.70 C ATOM 1008 OD1 ASP A 63 8.153 -22.291 22.325 1.00 37.23 O ATOM 1009 OD2 ASP A 63 9.398 -21.136 23.694 1.00 44.24 O ATOM 1010 HA ASP A 63 11.160 -24.124 20.851 1.00 0.00 H ATOM 1011 HB2 ASP A 63 10.924 -23.276 23.166 1.00 0.00 H ATOM 1012 HB3 ASP A 63 11.215 -21.979 21.983 1.00 0.00 H ATOM 1013 H ASP A 63 8.804 -22.449 20.105 1.00 0.00 H ATOM 1014 N GLY A 64 8.464 -25.352 20.824 1.00 41.33 N ATOM 1015 CA GLY A 64 7.737 -26.575 21.127 1.00 40.68 C ATOM 1016 C GLY A 64 6.848 -26.600 22.368 1.00 40.77 C ATOM 1017 O GLY A 64 6.548 -27.678 22.881 1.00 39.69 O ATOM 1018 HA3 GLY A 64 8.475 -27.369 21.242 1.00 0.00 H ATOM 1019 HA2 GLY A 64 7.101 -26.793 20.269 1.00 0.00 H ATOM 1020 H GLY A 64 8.264 -24.837 19.943 1.00 0.00 H ATOM 1021 N ASP A 65 6.411 -25.440 22.860 1.00 40.08 N ATOM 1022 CA ASP A 65 5.524 -25.430 24.048 1.00 40.04 C ATOM 1023 C ASP A 65 4.033 -25.424 23.726 1.00 39.14 C ATOM 1024 O ASP A 65 3.183 -25.309 24.618 1.00 40.42 O ATOM 1025 CB ASP A 65 5.873 -24.281 24.995 1.00 40.08 C ATOM 1026 CG ASP A 65 5.514 -22.917 24.432 1.00 39.50 C ATOM 1027 OD1 ASP A 65 5.242 -22.778 23.208 1.00 41.24 O ATOM 1028 OD2 ASP A 65 5.535 -21.957 25.225 1.00 38.72 O ATOM 1029 HA ASP A 65 5.716 -26.380 24.547 1.00 0.00 H ATOM 1030 HB2 ASP A 65 5.331 -24.425 25.930 1.00 0.00 H ATOM 1031 HB3 ASP A 65 6.945 -24.305 25.190 1.00 0.00 H ATOM 1032 H ASP A 65 6.692 -24.545 22.411 1.00 0.00 H ATOM 1033 N GLY A 66 3.724 -25.525 22.443 1.00 39.23 N ATOM 1034 CA GLY A 66 2.350 -25.606 21.969 1.00 37.73 C ATOM 1035 C GLY A 66 1.674 -24.241 21.901 1.00 38.04 C ATOM 1036 O GLY A 66 0.487 -24.157 21.588 1.00 37.39 O ATOM 1037 HA3 GLY A 66 1.783 -26.244 22.647 1.00 0.00 H ATOM 1038 HA2 GLY A 66 2.349 -26.047 20.972 1.00 0.00 H ATOM 1039 H GLY A 66 4.494 -25.547 21.745 1.00 0.00 H ATOM 1040 N GLU A 67 2.421 -23.171 22.184 1.00 37.48 N ATOM 1041 CA GLU A 67 1.839 -21.815 22.211 1.00 36.64 C ATOM 1042 C GLU A 67 2.739 -20.849 21.418 1.00 36.36 C ATOM 1043 O GLU A 67 3.897 -21.168 21.083 1.00 38.03 O ATOM 1044 CB GLU A 67 1.674 -21.330 23.650 1.00 35.44 C ATOM 1045 CG GLU A 67 0.803 -22.291 24.542 1.00 36.54 C ATOM 1046 CD GLU A 67 0.060 -21.580 25.680 1.00 36.67 C ATOM 1047 OE1 GLU A 67 -0.161 -20.366 25.571 1.00 38.21 O ATOM 1048 OE2 GLU A 67 -0.354 -22.263 26.661 1.00 36.21 O ATOM 1049 HA GLU A 67 0.853 -21.844 21.748 1.00 0.00 H ATOM 1050 HB2 GLU A 67 2.663 -21.243 24.100 1.00 0.00 H ATOM 1051 HB3 GLU A 67 1.197 -20.350 23.631 1.00 0.00 H ATOM 1052 HG2 GLU A 67 0.067 -22.779 23.903 1.00 0.00 H ATOM 1053 HG3 GLU A 67 1.460 -23.044 24.978 1.00 0.00 H ATOM 1054 H GLU A 67 3.433 -23.296 22.389 1.00 0.00 H ATOM 1055 N CYS A 68 2.182 -19.679 21.139 1.00 36.76 N ATOM 1056 CA CYS A 68 2.875 -18.624 20.375 1.00 36.14 C ATOM 1057 C CYS A 68 3.160 -17.469 21.334 1.00 36.40 C ATOM 1058 O CYS A 68 2.210 -16.760 21.812 1.00 35.15 O ATOM 1059 CB CYS A 68 1.974 -18.184 19.232 1.00 35.85 C ATOM 1060 SG CYS A 68 2.723 -16.877 18.237 1.00 37.61 S ATOM 1061 HA CYS A 68 3.815 -18.978 19.952 1.00 0.00 H ATOM 1062 HB2 CYS A 68 1.035 -17.816 19.646 1.00 0.00 H ATOM 1063 HB3 CYS A 68 1.775 -19.043 18.591 1.00 0.00 H ATOM 1064 HG CYS A 68 2.972 -15.779 19.035 1.00 0.00 H ATOM 1065 H CYS A 68 1.214 -19.497 21.473 1.00 0.00 H ATOM 1066 N ASP A 69 4.431 -17.307 21.688 1.00 36.40 N ATOM 1067 CA ASP A 69 4.834 -16.191 22.573 1.00 36.43 C ATOM 1068 C ASP A 69 5.008 -14.897 21.761 1.00 37.32 C ATOM 1069 O ASP A 69 4.708 -14.870 20.560 1.00 35.17 O ATOM 1070 CB ASP A 69 6.047 -16.549 23.465 1.00 37.00 C ATOM 1071 CG ASP A 69 7.334 -16.694 22.704 1.00 39.54 C ATOM 1072 OD1 ASP A 69 7.390 -16.323 21.500 1.00 39.66 O ATOM 1073 OD2 ASP A 69 8.305 -17.174 23.346 1.00 39.93 O ATOM 1074 HA ASP A 69 4.028 -16.006 23.283 1.00 0.00 H ATOM 1075 HB2 ASP A 69 6.173 -15.761 24.208 1.00 0.00 H ATOM 1076 HB3 ASP A 69 5.837 -17.492 23.970 1.00 0.00 H ATOM 1077 H ASP A 69 5.151 -17.972 21.339 1.00 0.00 H ATOM 1078 N PHE A 70 5.473 -13.824 22.403 1.00 36.14 N ATOM 1079 CA PHE A 70 5.480 -12.543 21.715 1.00 35.88 C ATOM 1080 C PHE A 70 6.517 -12.577 20.565 1.00 36.56 C ATOM 1081 O PHE A 70 6.225 -12.115 19.478 1.00 37.32 O ATOM 1082 CB PHE A 70 5.829 -11.433 22.686 1.00 36.09 C ATOM 1083 CG PHE A 70 5.666 -10.069 22.103 1.00 38.60 C ATOM 1084 CD1 PHE A 70 4.424 -9.439 22.135 1.00 39.81 C ATOM 1085 CD2 PHE A 70 6.739 -9.438 21.470 1.00 37.94 C ATOM 1086 CE1 PHE A 70 4.258 -8.175 21.562 1.00 43.07 C ATOM 1087 CE2 PHE A 70 6.587 -8.162 20.897 1.00 39.44 C ATOM 1088 CZ PHE A 70 5.347 -7.532 20.967 1.00 40.32 C ATOM 1089 HA PHE A 70 4.488 -12.354 21.304 1.00 0.00 H ATOM 1090 HB2 PHE A 70 5.179 -11.518 23.557 1.00 0.00 H ATOM 1091 HB3 PHE A 70 6.867 -11.556 22.995 1.00 0.00 H ATOM 1092 HD2 PHE A 70 7.705 -9.940 21.419 1.00 0.00 H ATOM 1093 HE2 PHE A 70 7.428 -7.673 20.405 1.00 0.00 H ATOM 1094 HZ PHE A 70 5.225 -6.530 20.555 1.00 0.00 H ATOM 1095 HE1 PHE A 70 3.281 -7.692 21.579 1.00 0.00 H ATOM 1096 HD1 PHE A 70 3.577 -9.934 22.609 1.00 0.00 H ATOM 1097 H PHE A 70 5.824 -13.902 23.379 1.00 0.00 H ATOM 1098 N GLN A 71 7.701 -13.124 20.824 1.00 37.54 N ATOM 1099 CA GLN A 71 8.740 -13.312 19.778 1.00 38.03 C ATOM 1100 C GLN A 71 8.212 -14.103 18.560 1.00 37.41 C ATOM 1101 O GLN A 71 8.454 -13.736 17.399 1.00 36.26 O ATOM 1102 CB GLN A 71 9.998 -14.015 20.353 1.00 39.14 C ATOM 1103 CG GLN A 71 11.163 -14.167 19.342 1.00 39.66 C ATOM 1104 CD GLN A 71 12.453 -14.757 19.950 1.00 43.72 C ATOM 1105 OE1 GLN A 71 12.383 -15.630 20.806 1.00 49.42 O ATOM 1106 HA GLN A 71 9.014 -12.314 19.437 1.00 0.00 H ATOM 1107 HB2 GLN A 71 10.356 -13.433 21.202 1.00 0.00 H ATOM 1108 HB3 GLN A 71 9.708 -15.010 20.692 1.00 0.00 H ATOM 1109 HG2 GLN A 71 10.833 -14.822 18.536 1.00 0.00 H ATOM 1110 HG3 GLN A 71 11.395 -13.182 18.936 1.00 0.00 H ATOM 1111 H GLN A 71 7.908 -13.432 21.796 1.00 0.00 H ATOM 1112 N GLU A 72 7.532 -15.201 18.847 1.00 35.41 N ATOM 1113 CA GLU A 72 6.882 -16.030 17.816 1.00 35.99 C ATOM 1114 C GLU A 72 5.793 -15.280 17.080 1.00 34.81 C ATOM 1115 O GLU A 72 5.661 -15.413 15.857 1.00 35.19 O ATOM 1116 CB GLU A 72 6.358 -17.339 18.419 1.00 34.75 C ATOM 1117 CG GLU A 72 7.515 -18.219 18.909 1.00 33.77 C ATOM 1118 CD GLU A 72 7.078 -19.315 19.832 1.00 37.02 C ATOM 1119 OE1 GLU A 72 5.989 -19.210 20.460 1.00 36.61 O ATOM 1120 OE2 GLU A 72 7.858 -20.284 19.964 1.00 36.15 O ATOM 1121 HA GLU A 72 7.641 -16.280 17.074 1.00 0.00 H ATOM 1122 HB2 GLU A 72 5.704 -17.108 19.260 1.00 0.00 H ATOM 1123 HB3 GLU A 72 5.794 -17.881 17.660 1.00 0.00 H ATOM 1124 HG2 GLU A 72 7.999 -18.669 18.042 1.00 0.00 H ATOM 1125 HG3 GLU A 72 8.231 -17.588 19.436 1.00 0.00 H ATOM 1126 H GLU A 72 7.453 -15.492 19.842 1.00 0.00 H ATOM 1127 N PHE A 73 5.057 -14.440 17.805 1.00 35.26 N ATOM 1128 CA PHE A 73 4.057 -13.595 17.173 1.00 34.72 C ATOM 1129 C PHE A 73 4.701 -12.554 16.274 1.00 35.83 C ATOM 1130 O PHE A 73 4.175 -12.276 15.205 1.00 36.89 O ATOM 1131 CB PHE A 73 3.179 -12.855 18.215 1.00 35.66 C ATOM 1132 CG PHE A 73 2.114 -11.960 17.593 1.00 35.62 C ATOM 1133 CD1 PHE A 73 1.013 -12.543 16.904 1.00 38.87 C ATOM 1134 CD2 PHE A 73 2.168 -10.579 17.715 1.00 38.15 C ATOM 1135 CE1 PHE A 73 0.031 -11.752 16.331 1.00 38.88 C ATOM 1136 CE2 PHE A 73 1.184 -9.794 17.174 1.00 37.05 C ATOM 1137 CZ PHE A 73 0.104 -10.378 16.477 1.00 38.65 C ATOM 1138 HA PHE A 73 3.430 -14.263 16.582 1.00 0.00 H ATOM 1139 HB2 PHE A 73 2.683 -13.599 18.838 1.00 0.00 H ATOM 1140 HB3 PHE A 73 3.828 -12.238 18.836 1.00 0.00 H ATOM 1141 HD2 PHE A 73 3.000 -10.115 18.245 1.00 0.00 H ATOM 1142 HE2 PHE A 73 1.235 -8.711 17.283 1.00 0.00 H ATOM 1143 HZ PHE A 73 -0.675 -9.744 16.053 1.00 0.00 H ATOM 1144 HE1 PHE A 73 -0.788 -12.206 15.773 1.00 0.00 H ATOM 1145 HD1 PHE A 73 0.942 -13.628 16.826 1.00 0.00 H ATOM 1146 H PHE A 73 5.199 -14.388 18.834 1.00 0.00 H ATOM 1147 N MET A 74 5.820 -11.985 16.691 1.00 36.30 N ATOM 1148 CA MET A 74 6.551 -11.055 15.814 1.00 36.71 C ATOM 1149 C MET A 74 6.973 -11.742 14.497 1.00 35.85 C ATOM 1150 O MET A 74 6.931 -11.120 13.444 1.00 36.54 O ATOM 1151 CB MET A 74 7.790 -10.496 16.496 1.00 37.93 C ATOM 1152 CG MET A 74 7.502 -9.572 17.658 1.00 41.78 C ATOM 1153 SD MET A 74 6.743 -8.033 17.093 1.00 48.15 S ATOM 1154 CE MET A 74 5.000 -8.307 17.030 1.00 47.65 C ATOM 1155 HA MET A 74 5.867 -10.236 15.593 1.00 0.00 H ATOM 1156 HB2 MET A 74 8.383 -11.333 16.865 1.00 0.00 H ATOM 1157 HB3 MET A 74 8.367 -9.942 15.755 1.00 0.00 H ATOM 1158 HG2 MET A 74 8.436 -9.341 18.170 1.00 0.00 H ATOM 1159 HG3 MET A 74 6.823 -10.071 18.350 1.00 0.00 H ATOM 1160 HE1 MET A 74 4.786 -9.119 16.336 1.00 0.00 H ATOM 1161 HE2 MET A 74 4.639 -8.572 18.024 1.00 0.00 H ATOM 1162 HE3 MET A 74 4.503 -7.398 16.692 1.00 0.00 H ATOM 1163 H MET A 74 6.185 -12.195 17.642 1.00 0.00 H ATOM 1164 N ALA A 75 7.377 -13.007 14.574 1.00 35.25 N ATOM 1165 CA ALA A 75 7.747 -13.776 13.365 1.00 36.19 C ATOM 1166 C ALA A 75 6.515 -13.979 12.471 1.00 36.20 C ATOM 1167 O ALA A 75 6.584 -13.895 11.229 1.00 36.32 O ATOM 1168 CB ALA A 75 8.376 -15.098 13.752 1.00 35.89 C ATOM 1169 HA ALA A 75 8.486 -13.212 12.796 1.00 0.00 H ATOM 1170 HB1 ALA A 75 9.272 -14.913 14.344 1.00 0.00 H ATOM 1171 HB2 ALA A 75 7.665 -15.679 14.339 1.00 0.00 H ATOM 1172 HB3 ALA A 75 8.642 -15.650 12.851 1.00 0.00 H ATOM 1173 H ALA A 75 7.434 -13.466 15.505 1.00 0.00 H ATOM 1174 N PHE A 76 5.379 -14.240 13.099 1.00 35.34 N ATOM 1175 CA PHE A 76 4.098 -14.335 12.379 1.00 35.22 C ATOM 1176 C PHE A 76 3.743 -13.023 11.653 1.00 34.84 C ATOM 1177 O PHE A 76 3.435 -13.026 10.448 1.00 35.12 O ATOM 1178 CB PHE A 76 3.002 -14.798 13.353 1.00 34.36 C ATOM 1179 CG PHE A 76 1.635 -14.990 12.742 1.00 37.17 C ATOM 1180 CD1 PHE A 76 1.436 -15.800 11.635 1.00 38.64 C ATOM 1181 CD2 PHE A 76 0.514 -14.395 13.358 1.00 38.96 C ATOM 1182 CE1 PHE A 76 0.149 -16.023 11.138 1.00 39.41 C ATOM 1183 CE2 PHE A 76 -0.784 -14.617 12.857 1.00 38.62 C ATOM 1184 CZ PHE A 76 -0.971 -15.427 11.758 1.00 36.43 C ATOM 1185 HA PHE A 76 4.187 -15.081 11.589 1.00 0.00 H ATOM 1186 HB2 PHE A 76 3.315 -15.749 13.785 1.00 0.00 H ATOM 1187 HB3 PHE A 76 2.916 -14.052 14.143 1.00 0.00 H ATOM 1188 HD2 PHE A 76 0.653 -13.757 14.231 1.00 0.00 H ATOM 1189 HE2 PHE A 76 -1.641 -14.147 13.339 1.00 0.00 H ATOM 1190 HZ PHE A 76 -1.974 -15.606 11.371 1.00 0.00 H ATOM 1191 HE1 PHE A 76 0.009 -16.661 10.266 1.00 0.00 H ATOM 1192 HD1 PHE A 76 2.291 -16.268 11.147 1.00 0.00 H ATOM 1193 H PHE A 76 5.392 -14.382 14.129 1.00 0.00 H ATOM 1194 N VAL A 77 3.833 -11.908 12.372 1.00 35.25 N ATOM 1195 CA VAL A 77 3.652 -10.588 11.760 1.00 35.70 C ATOM 1196 C VAL A 77 4.606 -10.349 10.577 1.00 35.60 C ATOM 1197 O VAL A 77 4.149 -9.871 9.537 1.00 35.50 O ATOM 1198 CB VAL A 77 3.775 -9.462 12.783 1.00 37.25 C ATOM 1199 CG1 VAL A 77 3.779 -8.063 12.092 1.00 39.26 C ATOM 1200 CG2 VAL A 77 2.612 -9.582 13.761 1.00 36.43 C ATOM 1201 HA VAL A 77 2.635 -10.579 11.367 1.00 0.00 H ATOM 1202 HB VAL A 77 4.723 -9.552 13.314 1.00 0.00 H ATOM 1203 HG11 VAL A 77 4.623 -8.001 11.405 1.00 0.00 H ATOM 1204 HG12 VAL A 77 2.849 -7.929 11.540 1.00 0.00 H ATOM 1205 HG13 VAL A 77 3.868 -7.285 12.850 1.00 0.00 H ATOM 1206 HG21 VAL A 77 1.671 -9.495 13.217 1.00 0.00 H ATOM 1207 HG22 VAL A 77 2.657 -10.550 14.260 1.00 0.00 H ATOM 1208 HG23 VAL A 77 2.679 -8.786 14.503 1.00 0.00 H ATOM 1209 H VAL A 77 4.036 -11.974 13.390 1.00 0.00 H ATOM 1210 N ALA A 78 5.873 -10.736 10.721 1.00 35.90 N ATOM 1211 CA ALA A 78 6.854 -10.595 9.593 1.00 35.16 C ATOM 1212 C ALA A 78 6.430 -11.423 8.369 1.00 35.87 C ATOM 1213 O ALA A 78 6.482 -10.938 7.214 1.00 36.94 O ATOM 1214 CB ALA A 78 8.299 -10.949 10.073 1.00 36.29 C ATOM 1215 HA ALA A 78 6.860 -9.552 9.275 1.00 0.00 H ATOM 1216 HB1 ALA A 78 8.588 -10.275 10.879 1.00 0.00 H ATOM 1217 HB2 ALA A 78 8.319 -11.978 10.433 1.00 0.00 H ATOM 1218 HB3 ALA A 78 8.994 -10.840 9.240 1.00 0.00 H ATOM 1219 H ALA A 78 6.186 -11.141 11.626 1.00 0.00 H ATOM 1220 N MET A 79 5.953 -12.641 8.608 1.00 36.31 N ATOM 1221 CA MET A 79 5.446 -13.501 7.538 1.00 41.19 C ATOM 1222 C MET A 79 4.245 -12.866 6.806 1.00 37.64 C ATOM 1223 O MET A 79 4.168 -12.869 5.561 1.00 36.28 O ATOM 1224 CB MET A 79 5.009 -14.853 8.130 1.00 39.67 C ATOM 1225 CG MET A 79 4.681 -15.898 7.082 1.00 47.00 C ATOM 1226 SD MET A 79 4.222 -17.479 7.877 1.00 54.28 S ATOM 1227 CE MET A 79 4.896 -17.232 9.569 1.00 43.89 C ATOM 1228 HA MET A 79 6.251 -13.637 6.816 1.00 0.00 H ATOM 1229 HB2 MET A 79 5.817 -15.233 8.755 1.00 0.00 H ATOM 1230 HB3 MET A 79 4.123 -14.690 8.744 1.00 0.00 H ATOM 1231 HG2 MET A 79 5.553 -16.055 6.447 1.00 0.00 H ATOM 1232 HG3 MET A 79 3.848 -15.547 6.473 1.00 0.00 H ATOM 1233 HE1 MET A 79 5.972 -17.071 9.510 1.00 0.00 H ATOM 1234 HE2 MET A 79 4.422 -16.362 10.024 1.00 0.00 H ATOM 1235 HE3 MET A 79 4.692 -18.116 10.173 1.00 0.00 H ATOM 1236 H MET A 79 5.940 -12.994 9.586 1.00 0.00 H ATOM 1237 N ILE A 80 3.295 -12.355 7.584 1.00 36.60 N ATOM 1238 CA ILE A 80 2.078 -11.775 6.999 1.00 36.19 C ATOM 1239 C ILE A 80 2.447 -10.557 6.202 1.00 35.47 C ATOM 1240 O ILE A 80 1.966 -10.381 5.114 1.00 36.23 O ATOM 1241 CB ILE A 80 1.063 -11.370 8.092 1.00 37.14 C ATOM 1242 CG1 ILE A 80 0.522 -12.632 8.767 1.00 37.71 C ATOM 1243 CG2 ILE A 80 -0.105 -10.534 7.521 1.00 37.63 C ATOM 1244 CD1 ILE A 80 -0.030 -12.311 10.140 1.00 41.86 C ATOM 1245 HA ILE A 80 1.615 -12.528 6.361 1.00 0.00 H ATOM 1246 HB ILE A 80 1.581 -10.745 8.819 1.00 0.00 H ATOM 1247 HG12 ILE A 80 -0.272 -13.055 8.152 1.00 0.00 H ATOM 1248 HG13 ILE A 80 1.328 -13.359 8.866 1.00 0.00 H ATOM 1249 HD11 ILE A 80 0.762 -11.892 10.760 1.00 0.00 H ATOM 1250 HD12 ILE A 80 -0.840 -11.587 10.045 1.00 0.00 H ATOM 1251 HD13 ILE A 80 -0.409 -13.224 10.600 1.00 0.00 H ATOM 1252 HG21 ILE A 80 0.289 -9.624 7.069 1.00 0.00 H ATOM 1253 HG22 ILE A 80 -0.633 -11.117 6.767 1.00 0.00 H ATOM 1254 HG23 ILE A 80 -0.792 -10.273 8.327 1.00 0.00 H ATOM 1255 H ILE A 80 3.415 -12.366 8.617 1.00 0.00 H ATOM 1256 N THR A 81 3.255 -9.686 6.783 1.00 34.76 N ATOM 1257 CA THR A 81 3.648 -8.438 6.144 1.00 34.43 C ATOM 1258 C THR A 81 4.402 -8.697 4.844 1.00 34.88 C ATOM 1259 O THR A 81 4.182 -8.020 3.861 1.00 35.36 O ATOM 1260 CB THR A 81 4.493 -7.580 7.110 1.00 34.28 C ATOM 1261 OG1 THR A 81 3.707 -7.322 8.295 1.00 34.49 O ATOM 1262 CG2 THR A 81 4.826 -6.227 6.493 1.00 35.35 C ATOM 1263 HA THR A 81 2.742 -7.885 5.895 1.00 0.00 H ATOM 1264 HB THR A 81 5.414 -8.119 7.332 1.00 0.00 H ATOM 1265 HG1 THR A 81 3.468 -8.181 8.725 1.00 0.00 H ATOM 1266 HG23 THR A 81 5.421 -6.377 5.592 1.00 0.00 H ATOM 1267 HG21 THR A 81 3.902 -5.708 6.238 1.00 0.00 H ATOM 1268 HG22 THR A 81 5.392 -5.632 7.209 1.00 0.00 H ATOM 1269 H THR A 81 3.623 -9.900 7.732 1.00 0.00 H ATOM 1270 N THR A 82 5.305 -9.661 4.865 1.00 34.83 N ATOM 1271 CA THR A 82 6.074 -10.043 3.667 1.00 35.85 C ATOM 1272 C THR A 82 5.154 -10.539 2.589 1.00 35.80 C ATOM 1273 O THR A 82 5.316 -10.185 1.412 1.00 36.96 O ATOM 1274 CB THR A 82 7.083 -11.134 4.030 1.00 34.54 C ATOM 1275 OG1 THR A 82 7.995 -10.576 4.978 1.00 37.04 O ATOM 1276 CG2 THR A 82 7.843 -11.664 2.773 1.00 36.49 C ATOM 1277 HA THR A 82 6.605 -9.166 3.296 1.00 0.00 H ATOM 1278 HB THR A 82 6.561 -11.991 4.455 1.00 0.00 H ATOM 1279 HG1 THR A 82 7.496 -10.284 5.782 1.00 0.00 H ATOM 1280 HG23 THR A 82 7.126 -12.084 2.067 1.00 0.00 H ATOM 1281 HG21 THR A 82 8.381 -10.841 2.301 1.00 0.00 H ATOM 1282 HG22 THR A 82 8.551 -12.436 3.076 1.00 0.00 H ATOM 1283 H THR A 82 5.479 -10.167 5.757 1.00 0.00 H ATOM 1284 N ALA A 83 4.190 -11.368 2.972 1.00 36.80 N ATOM 1285 CA ALA A 83 3.279 -11.947 1.976 1.00 35.96 C ATOM 1286 C ALA A 83 2.352 -10.889 1.349 1.00 36.86 C ATOM 1287 O ALA A 83 2.108 -10.896 0.118 1.00 36.82 O ATOM 1288 CB ALA A 83 2.489 -13.095 2.595 1.00 37.21 C ATOM 1289 HA ALA A 83 3.882 -12.343 1.159 1.00 0.00 H ATOM 1290 HB1 ALA A 83 3.179 -13.865 2.940 1.00 0.00 H ATOM 1291 HB2 ALA A 83 1.908 -12.721 3.438 1.00 0.00 H ATOM 1292 HB3 ALA A 83 1.817 -13.517 1.847 1.00 0.00 H ATOM 1293 H ALA A 83 4.080 -11.607 3.978 1.00 0.00 H ATOM 1294 N CYS A 84 1.881 -9.960 2.174 1.00 36.84 N ATOM 1295 CA CYS A 84 1.096 -8.807 1.716 1.00 37.67 C ATOM 1296 C CYS A 84 1.877 -7.875 0.776 1.00 36.78 C ATOM 1297 O CYS A 84 1.393 -7.518 -0.296 1.00 36.69 O ATOM 1298 CB CYS A 84 0.611 -8.035 2.926 1.00 37.76 C ATOM 1299 SG CYS A 84 -0.767 -8.926 3.750 1.00 45.23 S ATOM 1300 HA CYS A 84 0.257 -9.191 1.136 1.00 0.00 H ATOM 1301 HB2 CYS A 84 0.263 -7.052 2.609 1.00 0.00 H ATOM 1302 HB3 CYS A 84 1.434 -7.918 3.630 1.00 0.00 H ATOM 1303 HG CYS A 84 -0.330 -10.170 4.158 1.00 0.00 H ATOM 1304 H CYS A 84 2.077 -10.054 3.191 1.00 0.00 H ATOM 1305 N HIS A 85 3.099 -7.520 1.173 1.00 36.23 N ATOM 1306 CA HIS A 85 3.979 -6.668 0.366 1.00 36.83 C ATOM 1307 C HIS A 85 4.154 -7.266 -1.014 1.00 37.45 C ATOM 1308 O HIS A 85 4.019 -6.592 -2.061 1.00 36.84 O ATOM 1309 CB HIS A 85 5.353 -6.558 1.079 1.00 36.35 C ATOM 1310 CG HIS A 85 6.421 -5.890 0.273 1.00 36.70 C ATOM 1311 ND1 HIS A 85 7.665 -6.455 0.088 1.00 38.48 N ATOM 1312 CD2 HIS A 85 6.436 -4.717 -0.409 1.00 37.54 C ATOM 1313 CE1 HIS A 85 8.409 -5.652 -0.652 1.00 39.13 C ATOM 1314 NE2 HIS A 85 7.690 -4.587 -0.965 1.00 42.45 N ATOM 1315 HA HIS A 85 3.540 -5.676 0.258 1.00 0.00 H ATOM 1316 HB2 HIS A 85 5.215 -5.989 1.998 1.00 0.00 H ATOM 1317 HB3 HIS A 85 5.691 -7.565 1.324 1.00 0.00 H ATOM 1318 HD2 HIS A 85 5.611 -4.010 -0.500 1.00 0.00 H ATOM 1319 HE1 HIS A 85 9.440 -5.836 -0.953 1.00 0.00 H ATOM 1320 H HIS A 85 3.443 -7.861 2.093 1.00 0.00 H ATOM 1321 N GLU A 86 4.429 -8.560 -1.034 1.00 38.73 N ATOM 1322 CA GLU A 86 4.663 -9.243 -2.311 1.00 40.50 C ATOM 1323 C GLU A 86 3.428 -9.482 -3.170 1.00 40.91 C ATOM 1324 O GLU A 86 3.519 -9.455 -4.389 1.00 40.14 O ATOM 1325 CB GLU A 86 5.443 -10.527 -2.067 1.00 41.49 C ATOM 1326 CG GLU A 86 6.779 -10.238 -1.359 1.00 45.25 C ATOM 1327 CD GLU A 86 7.661 -11.473 -1.202 1.00 52.27 C ATOM 1328 OE1 GLU A 86 7.143 -12.570 -0.848 1.00 54.80 O ATOM 1329 OE2 GLU A 86 8.880 -11.328 -1.415 1.00 53.28 O ATOM 1330 HA GLU A 86 5.254 -8.553 -2.913 1.00 0.00 H ATOM 1331 HB2 GLU A 86 4.846 -11.193 -1.444 1.00 0.00 H ATOM 1332 HB3 GLU A 86 5.644 -11.009 -3.024 1.00 0.00 H ATOM 1333 HG2 GLU A 86 7.325 -9.495 -1.940 1.00 0.00 H ATOM 1334 HG3 GLU A 86 6.566 -9.837 -0.368 1.00 0.00 H ATOM 1335 H GLU A 86 4.479 -9.094 -0.143 1.00 0.00 H ATOM 1336 N PHE A 87 2.282 -9.706 -2.537 1.00 41.62 N ATOM 1337 CA PHE A 87 1.005 -9.858 -3.245 1.00 43.07 C ATOM 1338 C PHE A 87 0.698 -8.670 -4.176 1.00 43.84 C ATOM 1339 O PHE A 87 0.235 -8.859 -5.294 1.00 41.71 O ATOM 1340 CB PHE A 87 -0.136 -10.102 -2.238 1.00 43.94 C ATOM 1341 CG PHE A 87 -1.379 -10.695 -2.852 1.00 46.49 C ATOM 1342 CD1 PHE A 87 -1.297 -11.780 -3.735 1.00 47.84 C ATOM 1343 CD2 PHE A 87 -2.634 -10.174 -2.549 1.00 48.61 C ATOM 1344 CE1 PHE A 87 -2.434 -12.328 -4.306 1.00 49.12 C ATOM 1345 CE2 PHE A 87 -3.789 -10.721 -3.129 1.00 47.72 C ATOM 1346 CZ PHE A 87 -3.687 -11.799 -3.999 1.00 48.15 C ATOM 1347 HA PHE A 87 1.090 -10.731 -3.892 1.00 0.00 H ATOM 1348 HB2 PHE A 87 0.226 -10.784 -1.468 1.00 0.00 H ATOM 1349 HB3 PHE A 87 -0.400 -9.148 -1.781 1.00 0.00 H ATOM 1350 HD2 PHE A 87 -2.720 -9.336 -1.857 1.00 0.00 H ATOM 1351 HE2 PHE A 87 -4.767 -10.300 -2.897 1.00 0.00 H ATOM 1352 HZ PHE A 87 -4.585 -12.231 -4.441 1.00 0.00 H ATOM 1353 HE1 PHE A 87 -2.349 -13.170 -4.993 1.00 0.00 H ATOM 1354 HD1 PHE A 87 -0.321 -12.200 -3.977 1.00 0.00 H ATOM 1355 H PHE A 87 2.290 -9.776 -1.499 1.00 0.00 H ATOM 1356 N PHE A 88 1.045 -7.462 -3.739 1.00 45.20 N ATOM 1357 CA PHE A 88 0.670 -6.213 -4.436 1.00 47.49 C ATOM 1358 C PHE A 88 1.683 -5.670 -5.414 1.00 47.45 C ATOM 1359 O PHE A 88 1.443 -4.648 -6.055 1.00 48.47 O ATOM 1360 CB PHE A 88 0.344 -5.153 -3.392 1.00 50.10 C ATOM 1361 CG PHE A 88 -0.875 -5.478 -2.625 1.00 53.39 C ATOM 1362 CD1 PHE A 88 -0.898 -6.579 -1.774 1.00 54.49 C ATOM 1363 CD2 PHE A 88 -2.022 -4.755 -2.817 1.00 56.64 C ATOM 1364 CE1 PHE A 88 -2.039 -6.925 -1.108 1.00 58.13 C ATOM 1365 CE2 PHE A 88 -3.175 -5.095 -2.152 1.00 58.39 C ATOM 1366 CZ PHE A 88 -3.185 -6.177 -1.298 1.00 57.36 C ATOM 1367 HA PHE A 88 -0.192 -6.469 -5.053 1.00 0.00 H ATOM 1368 HB2 PHE A 88 1.183 -5.072 -2.700 1.00 0.00 H ATOM 1369 HB3 PHE A 88 0.197 -4.198 -3.896 1.00 0.00 H ATOM 1370 HD2 PHE A 88 -2.020 -3.906 -3.501 1.00 0.00 H ATOM 1371 HE2 PHE A 88 -4.082 -4.509 -2.300 1.00 0.00 H ATOM 1372 HZ PHE A 88 -4.101 -6.444 -0.770 1.00 0.00 H ATOM 1373 HE1 PHE A 88 -2.045 -7.782 -0.434 1.00 0.00 H ATOM 1374 HD1 PHE A 88 0.006 -7.173 -1.637 1.00 0.00 H ATOM 1375 H PHE A 88 1.606 -7.393 -2.866 1.00 0.00 H ATOM 1376 N GLU A 89 2.806 -6.363 -5.547 1.00 46.63 N ATOM 1377 CA GLU A 89 3.880 -5.921 -6.414 1.00 46.21 C ATOM 1378 C GLU A 89 4.220 -6.977 -7.432 1.00 46.42 C ATOM 1379 O GLU A 89 3.790 -8.125 -7.320 1.00 45.65 O ATOM 1380 CB GLU A 89 5.133 -5.619 -5.588 1.00 46.36 C ATOM 1381 CG GLU A 89 5.026 -4.363 -4.811 1.00 44.80 C ATOM 1382 CD GLU A 89 6.259 -4.125 -3.941 1.00 44.63 C ATOM 1383 OE1 GLU A 89 6.196 -3.189 -3.135 1.00 43.98 O ATOM 1384 OE2 GLU A 89 7.261 -4.877 -4.046 1.00 41.47 O ATOM 1385 HA GLU A 89 3.543 -5.021 -6.928 1.00 0.00 H ATOM 1386 HB2 GLU A 89 5.299 -6.443 -4.895 1.00 0.00 H ATOM 1387 HB3 GLU A 89 5.984 -5.538 -6.264 1.00 0.00 H ATOM 1388 HG2 GLU A 89 4.916 -3.528 -5.503 1.00 0.00 H ATOM 1389 HG3 GLU A 89 4.147 -4.419 -4.169 1.00 0.00 H ATOM 1390 H GLU A 89 2.919 -7.249 -5.014 1.00 0.00 H ATOM 1391 N HIS A 90 5.021 -6.565 -8.412 1.00 46.92 N ATOM 1392 CA HIS A 90 5.476 -7.426 -9.495 1.00 47.41 C ATOM 1393 C HIS A 90 6.784 -8.136 -9.162 1.00 48.10 C ATOM 1394 O HIS A 90 7.488 -7.748 -8.232 1.00 49.27 O ATOM 1395 CB HIS A 90 5.664 -6.596 -10.754 1.00 47.07 C ATOM 1396 CG HIS A 90 4.383 -6.117 -11.358 1.00 46.30 C ATOM 1397 ND1 HIS A 90 3.738 -4.979 -10.926 1.00 45.46 N ATOM 1398 CD2 HIS A 90 3.635 -6.612 -12.373 1.00 45.69 C ATOM 1399 CE1 HIS A 90 2.641 -4.799 -11.642 1.00 46.10 C ATOM 1400 NE2 HIS A 90 2.558 -5.774 -12.529 1.00 45.77 N ATOM 1401 HA HIS A 90 4.714 -8.191 -9.647 1.00 0.00 H ATOM 1402 HB2 HIS A 90 6.273 -5.727 -10.505 1.00 0.00 H ATOM 1403 HB3 HIS A 90 6.186 -7.205 -11.492 1.00 0.00 H ATOM 1404 HD2 HIS A 90 3.848 -7.508 -12.957 1.00 0.00 H ATOM 1405 HE1 HIS A 90 1.927 -3.985 -11.521 1.00 0.00 H ATOM 1406 H HIS A 90 5.339 -5.575 -8.404 1.00 0.00 H TER 1407 HIS A 90 ATOM 1408 N MET X 0 -10.834 -2.872 7.356 1.00 43.16 N ATOM 1409 CA MET X 0 -9.588 -3.600 7.801 1.00 41.89 C ATOM 1410 C MET X 0 -9.455 -3.461 9.282 1.00 40.43 C ATOM 1411 O MET X 0 -9.841 -2.439 9.825 1.00 41.05 O ATOM 1412 CB MET X 0 -8.316 -3.015 7.198 1.00 42.46 C ATOM 1413 CG MET X 0 -8.289 -2.951 5.706 1.00 47.31 C ATOM 1414 SD MET X 0 -6.883 -3.815 5.026 1.00 57.17 S ATOM 1415 CE MET X 0 -7.752 -5.326 4.655 1.00 55.00 C ATOM 1416 HA MET X 0 -9.694 -4.635 7.476 1.00 0.00 H ATOM 1417 HB2 MET X 0 -8.196 -2.002 7.581 1.00 0.00 H ATOM 1418 HB3 MET X 0 -7.475 -3.627 7.525 1.00 0.00 H ATOM 1419 HG2 MET X 0 -8.243 -1.906 5.399 1.00 0.00 H ATOM 1420 HG3 MET X 0 -9.202 -3.403 5.317 1.00 0.00 H ATOM 1421 HE1 MET X 0 -8.163 -5.742 5.575 1.00 0.00 H ATOM 1422 HE2 MET X 0 -8.561 -5.116 3.956 1.00 0.00 H ATOM 1423 HE3 MET X 0 -7.061 -6.041 4.208 1.00 0.00 H ATOM 1424 HN3 MET X 0 -10.757 -1.867 7.611 1.00 0.00 H ATOM 1425 HN2 MET X 0 -11.663 -3.288 7.826 1.00 0.00 H ATOM 1426 HN1 MET X 0 -10.937 -2.962 6.325 1.00 0.00 H ATOM 1427 N SER X 1 -8.875 -4.465 9.934 1.00 38.19 N ATOM 1428 CA SER X 1 -8.661 -4.412 11.377 1.00 36.62 C ATOM 1429 C SER X 1 -7.478 -3.473 11.671 1.00 36.57 C ATOM 1430 O SER X 1 -6.776 -3.027 10.755 1.00 36.32 O ATOM 1431 CB SER X 1 -8.360 -5.813 11.914 1.00 36.04 C ATOM 1432 OG SER X 1 -7.020 -6.181 11.548 1.00 34.50 O ATOM 1433 HA SER X 1 -9.560 -4.037 11.867 1.00 0.00 H ATOM 1434 HB2 SER X 1 -9.064 -6.527 11.487 1.00 0.00 H ATOM 1435 HB3 SER X 1 -8.456 -5.816 13.000 1.00 0.00 H ATOM 1436 HG SER X 1 -6.822 -7.087 11.894 1.00 0.00 H ATOM 1437 H SER X 1 -8.567 -5.306 9.404 1.00 0.00 H ATOM 1438 N GLU X 2 -7.256 -3.181 12.945 1.00 35.61 N ATOM 1439 CA GLU X 2 -6.092 -2.413 13.369 1.00 36.42 C ATOM 1440 C GLU X 2 -4.785 -3.124 12.984 1.00 36.44 C ATOM 1441 O GLU X 2 -3.807 -2.479 12.551 1.00 35.42 O ATOM 1442 CB GLU X 2 -6.142 -2.192 14.877 1.00 37.99 C ATOM 1443 CG GLU X 2 -7.151 -1.116 15.275 1.00 40.72 C ATOM 1444 CD GLU X 2 -6.696 0.278 14.870 1.00 49.75 C ATOM 1445 OE1 GLU X 2 -5.770 0.850 15.515 1.00 53.42 O ATOM 1446 OE2 GLU X 2 -7.251 0.802 13.889 1.00 50.33 O ATOM 1447 HA GLU X 2 -6.114 -1.450 12.859 1.00 0.00 H ATOM 1448 HB2 GLU X 2 -6.420 -3.129 15.359 1.00 0.00 H ATOM 1449 HB3 GLU X 2 -5.153 -1.888 15.220 1.00 0.00 H ATOM 1450 HG2 GLU X 2 -8.103 -1.330 14.789 1.00 0.00 H ATOM 1451 HG3 GLU X 2 -7.283 -1.142 16.357 1.00 0.00 H ATOM 1452 H GLU X 2 -7.933 -3.510 13.663 1.00 0.00 H ATOM 1453 N LEU X 3 -4.791 -4.445 13.122 1.00 35.07 N ATOM 1454 CA LEU X 3 -3.611 -5.235 12.802 1.00 33.84 C ATOM 1455 C LEU X 3 -3.325 -5.137 11.295 1.00 34.16 C ATOM 1456 O LEU X 3 -2.187 -4.929 10.884 1.00 35.03 O ATOM 1457 CB LEU X 3 -3.846 -6.689 13.245 1.00 32.39 C ATOM 1458 CG LEU X 3 -2.761 -7.699 12.852 1.00 34.15 C ATOM 1459 CD1 LEU X 3 -1.345 -7.247 13.225 1.00 33.91 C ATOM 1460 CD2 LEU X 3 -3.078 -9.064 13.450 1.00 34.22 C ATOM 1461 HA LEU X 3 -2.738 -4.855 13.333 1.00 0.00 H ATOM 1462 HB2 LEU X 3 -3.930 -6.697 14.332 1.00 0.00 H ATOM 1463 HB3 LEU X 3 -4.786 -7.023 12.807 1.00 0.00 H ATOM 1464 HG LEU X 3 -2.771 -7.769 11.764 1.00 0.00 H ATOM 1465 HD21 LEU X 3 -3.117 -8.983 14.536 1.00 0.00 H ATOM 1466 HD22 LEU X 3 -4.042 -9.408 13.075 1.00 0.00 H ATOM 1467 HD23 LEU X 3 -2.301 -9.773 13.165 1.00 0.00 H ATOM 1468 HD11 LEU X 3 -1.119 -6.309 12.718 1.00 0.00 H ATOM 1469 HD12 LEU X 3 -1.283 -7.102 14.304 1.00 0.00 H ATOM 1470 HD13 LEU X 3 -0.629 -8.009 12.918 1.00 0.00 H ATOM 1471 H LEU X 3 -5.650 -4.921 13.463 1.00 0.00 H ATOM 1472 N GLU X 4 -4.362 -5.317 10.486 1.00 33.95 N ATOM 1473 CA GLU X 4 -4.256 -5.184 9.044 1.00 34.37 C ATOM 1474 C GLU X 4 -3.758 -3.800 8.623 1.00 35.02 C ATOM 1475 O GLU X 4 -2.835 -3.699 7.768 1.00 34.31 O ATOM 1476 CB GLU X 4 -5.567 -5.578 8.359 1.00 35.37 C ATOM 1477 CG GLU X 4 -5.823 -7.097 8.402 1.00 34.23 C ATOM 1478 CD GLU X 4 -7.229 -7.522 8.085 1.00 35.20 C ATOM 1479 OE1 GLU X 4 -8.200 -6.761 8.316 1.00 35.24 O ATOM 1480 OE2 GLU X 4 -7.371 -8.674 7.622 1.00 37.67 O ATOM 1481 HA GLU X 4 -3.494 -5.885 8.703 1.00 0.00 H ATOM 1482 HB2 GLU X 4 -6.390 -5.070 8.861 1.00 0.00 H ATOM 1483 HB3 GLU X 4 -5.527 -5.259 7.317 1.00 0.00 H ATOM 1484 HG2 GLU X 4 -5.157 -7.571 7.681 1.00 0.00 H ATOM 1485 HG3 GLU X 4 -5.582 -7.451 9.404 1.00 0.00 H ATOM 1486 H GLU X 4 -5.284 -5.562 10.900 1.00 0.00 H ATOM 1487 N LYS X 5 -4.322 -2.723 9.189 1.00 33.54 N ATOM 1488 CA LYS X 5 -3.769 -1.374 8.877 1.00 33.13 C ATOM 1489 C LYS X 5 -2.327 -1.204 9.361 1.00 33.87 C ATOM 1490 O LYS X 5 -1.531 -0.537 8.698 1.00 33.45 O ATOM 1491 CB LYS X 5 -4.667 -0.257 9.455 1.00 33.89 C ATOM 1492 CG LYS X 5 -6.085 -0.310 8.911 1.00 33.72 C ATOM 1493 CD LYS X 5 -6.944 0.850 9.459 1.00 34.11 C ATOM 1494 CE LYS X 5 -8.417 0.640 9.083 1.00 39.41 C ATOM 1495 NZ LYS X 5 -9.180 1.937 8.977 1.00 43.83 N ATOM 1496 HA LYS X 5 -3.757 -1.288 7.790 1.00 0.00 H ATOM 1497 HB2 LYS X 5 -4.704 -0.364 10.539 1.00 0.00 H ATOM 1498 HB3 LYS X 5 -4.231 0.709 9.201 1.00 0.00 H ATOM 1499 HG2 LYS X 5 -6.050 -0.243 7.824 1.00 0.00 H ATOM 1500 HG3 LYS X 5 -6.541 -1.257 9.201 1.00 0.00 H ATOM 1501 HD2 LYS X 5 -6.850 0.887 10.544 1.00 0.00 H ATOM 1502 HD3 LYS X 5 -6.594 1.790 9.034 1.00 0.00 H ATOM 1503 HE2 LYS X 5 -8.887 0.020 9.846 1.00 0.00 H ATOM 1504 HE3 LYS X 5 -8.463 0.128 8.122 1.00 0.00 H ATOM 1505 HZ1 LYS X 5 -9.151 2.431 9.892 1.00 0.00 H ATOM 1506 HZ2 LYS X 5 -8.745 2.535 8.245 1.00 0.00 H ATOM 1507 HZ3 LYS X 5 -10.168 1.737 8.721 1.00 0.00 H ATOM 1508 H LYS X 5 -5.131 -2.827 9.834 1.00 0.00 H ATOM 1509 N ALA X 6 -1.972 -1.799 10.511 1.00 33.73 N ATOM 1510 CA ALA X 6 -0.599 -1.723 11.009 1.00 34.99 C ATOM 1511 C ALA X 6 0.373 -2.376 10.022 1.00 36.41 C ATOM 1512 O ALA X 6 1.447 -1.837 9.733 1.00 34.73 O ATOM 1513 CB ALA X 6 -0.490 -2.395 12.366 1.00 36.01 C ATOM 1514 HA ALA X 6 -0.334 -0.671 11.113 1.00 0.00 H ATOM 1515 HB1 ALA X 6 -1.153 -1.894 13.072 1.00 0.00 H ATOM 1516 HB2 ALA X 6 -0.778 -3.442 12.276 1.00 0.00 H ATOM 1517 HB3 ALA X 6 0.538 -2.329 12.721 1.00 0.00 H ATOM 1518 H ALA X 6 -2.686 -2.323 11.057 1.00 0.00 H ATOM 1519 N VAL X 7 -0.011 -3.553 9.515 1.00 35.03 N ATOM 1520 CA VAL X 7 0.809 -4.249 8.555 1.00 35.79 C ATOM 1521 C VAL X 7 1.059 -3.365 7.299 1.00 35.68 C ATOM 1522 O VAL X 7 2.182 -3.255 6.802 1.00 34.96 O ATOM 1523 CB VAL X 7 0.104 -5.571 8.136 1.00 35.05 C ATOM 1524 CG1 VAL X 7 0.687 -6.083 6.851 1.00 33.31 C ATOM 1525 CG2 VAL X 7 0.210 -6.626 9.278 1.00 37.44 C ATOM 1526 HA VAL X 7 1.772 -4.474 9.014 1.00 0.00 H ATOM 1527 HB VAL X 7 -0.955 -5.375 7.966 1.00 0.00 H ATOM 1528 HG11 VAL X 7 0.546 -5.338 6.068 1.00 0.00 H ATOM 1529 HG12 VAL X 7 1.752 -6.273 6.987 1.00 0.00 H ATOM 1530 HG13 VAL X 7 0.185 -7.008 6.569 1.00 0.00 H ATOM 1531 HG21 VAL X 7 1.260 -6.832 9.484 1.00 0.00 H ATOM 1532 HG22 VAL X 7 -0.268 -6.236 10.177 1.00 0.00 H ATOM 1533 HG23 VAL X 7 -0.288 -7.545 8.969 1.00 0.00 H ATOM 1534 H VAL X 7 -0.914 -3.972 9.818 1.00 0.00 H ATOM 1535 N VAL X 8 0.030 -2.695 6.825 1.00 35.50 N ATOM 1536 CA VAL X 8 0.171 -1.880 5.612 1.00 36.44 C ATOM 1537 C VAL X 8 1.028 -0.639 5.900 1.00 36.52 C ATOM 1538 O VAL X 8 1.783 -0.152 5.026 1.00 34.89 O ATOM 1539 CB VAL X 8 -1.237 -1.512 5.049 1.00 36.16 C ATOM 1540 CG1 VAL X 8 -1.128 -0.527 3.946 1.00 37.81 C ATOM 1541 CG2 VAL X 8 -1.952 -2.771 4.580 1.00 37.76 C ATOM 1542 HA VAL X 8 0.689 -2.455 4.844 1.00 0.00 H ATOM 1543 HB VAL X 8 -1.821 -1.052 5.846 1.00 0.00 H ATOM 1544 HG11 VAL X 8 -0.651 0.380 4.317 1.00 0.00 H ATOM 1545 HG12 VAL X 8 -0.529 -0.951 3.140 1.00 0.00 H ATOM 1546 HG13 VAL X 8 -2.124 -0.289 3.573 1.00 0.00 H ATOM 1547 HG21 VAL X 8 -1.365 -3.250 3.797 1.00 0.00 H ATOM 1548 HG22 VAL X 8 -2.068 -3.456 5.420 1.00 0.00 H ATOM 1549 HG23 VAL X 8 -2.934 -2.505 4.189 1.00 0.00 H ATOM 1550 H VAL X 8 -0.888 -2.743 7.312 1.00 0.00 H ATOM 1551 N ALA X 9 0.941 -0.138 7.128 1.00 35.84 N ATOM 1552 CA ALA X 9 1.760 1.009 7.542 1.00 34.46 C ATOM 1553 C ALA X 9 3.249 0.662 7.539 1.00 34.88 C ATOM 1554 O ALA X 9 4.075 1.508 7.162 1.00 34.19 O ATOM 1555 CB ALA X 9 1.310 1.512 8.944 1.00 35.02 C ATOM 1556 HA ALA X 9 1.611 1.811 6.819 1.00 0.00 H ATOM 1557 HB1 ALA X 9 0.264 1.816 8.901 1.00 0.00 H ATOM 1558 HB2 ALA X 9 1.426 0.709 9.671 1.00 0.00 H ATOM 1559 HB3 ALA X 9 1.925 2.362 9.238 1.00 0.00 H ATOM 1560 H ALA X 9 0.281 -0.566 7.808 1.00 0.00 H ATOM 1561 N LEU X 10 3.605 -0.557 7.977 1.00 34.88 N ATOM 1562 CA LEU X 10 5.002 -1.015 7.894 1.00 35.93 C ATOM 1563 C LEU X 10 5.506 -1.013 6.451 1.00 36.58 C ATOM 1564 O LEU X 10 6.613 -0.536 6.157 1.00 37.27 O ATOM 1565 CB LEU X 10 5.132 -2.418 8.455 1.00 36.46 C ATOM 1566 CG LEU X 10 4.661 -2.588 9.910 1.00 37.14 C ATOM 1567 CD1 LEU X 10 4.921 -3.997 10.390 1.00 37.90 C ATOM 1568 CD2 LEU X 10 5.384 -1.588 10.796 1.00 36.28 C ATOM 1569 HA LEU X 10 5.605 -0.322 8.480 1.00 0.00 H ATOM 1570 HB2 LEU X 10 4.542 -3.088 7.829 1.00 0.00 H ATOM 1571 HB3 LEU X 10 6.182 -2.706 8.404 1.00 0.00 H ATOM 1572 HG LEU X 10 3.588 -2.404 9.960 1.00 0.00 H ATOM 1573 HD21 LEU X 10 6.458 -1.763 10.738 1.00 0.00 H ATOM 1574 HD22 LEU X 10 5.161 -0.576 10.457 1.00 0.00 H ATOM 1575 HD23 LEU X 10 5.050 -1.709 11.826 1.00 0.00 H ATOM 1576 HD11 LEU X 10 4.380 -4.701 9.758 1.00 0.00 H ATOM 1577 HD12 LEU X 10 5.989 -4.206 10.337 1.00 0.00 H ATOM 1578 HD13 LEU X 10 4.581 -4.097 11.421 1.00 0.00 H ATOM 1579 H LEU X 10 2.883 -1.187 8.381 1.00 0.00 H ATOM 1580 N ILE X 11 4.684 -1.549 5.556 1.00 35.65 N ATOM 1581 CA ILE X 11 4.996 -1.533 4.110 1.00 36.28 C ATOM 1582 C ILE X 11 5.149 -0.116 3.598 1.00 36.28 C ATOM 1583 O ILE X 11 6.135 0.169 2.924 1.00 36.57 O ATOM 1584 CB ILE X 11 3.962 -2.303 3.268 1.00 36.16 C ATOM 1585 CG1 ILE X 11 3.951 -3.770 3.700 1.00 35.12 C ATOM 1586 CG2 ILE X 11 4.252 -2.110 1.761 1.00 37.70 C ATOM 1587 CD1 ILE X 11 2.629 -4.486 3.351 1.00 32.15 C ATOM 1588 HA ILE X 11 5.948 -2.051 3.997 1.00 0.00 H ATOM 1589 HB ILE X 11 2.960 -1.910 3.439 1.00 0.00 H ATOM 1590 HG12 ILE X 11 4.770 -4.287 3.200 1.00 0.00 H ATOM 1591 HG13 ILE X 11 4.099 -3.817 4.779 1.00 0.00 H ATOM 1592 HD11 ILE X 11 1.802 -3.984 3.853 1.00 0.00 H ATOM 1593 HD12 ILE X 11 2.474 -4.455 2.273 1.00 0.00 H ATOM 1594 HD13 ILE X 11 2.681 -5.523 3.682 1.00 0.00 H ATOM 1595 HG21 ILE X 11 4.196 -1.050 1.514 1.00 0.00 H ATOM 1596 HG22 ILE X 11 5.250 -2.485 1.533 1.00 0.00 H ATOM 1597 HG23 ILE X 11 3.514 -2.660 1.177 1.00 0.00 H ATOM 1598 H ILE X 11 3.800 -1.991 5.880 1.00 0.00 H ATOM 1599 N ASP X 12 4.214 0.771 3.932 1.00 36.13 N ATOM 1600 CA ASP X 12 4.261 2.161 3.443 1.00 36.73 C ATOM 1601 C ASP X 12 5.475 2.931 3.979 1.00 36.13 C ATOM 1602 O ASP X 12 6.091 3.682 3.220 1.00 35.04 O ATOM 1603 CB ASP X 12 3.000 2.928 3.822 1.00 35.92 C ATOM 1604 CG ASP X 12 1.823 2.515 2.991 1.00 42.92 C ATOM 1605 OD1 ASP X 12 2.098 1.857 1.984 1.00 46.74 O ATOM 1606 OD2 ASP X 12 0.651 2.816 3.323 1.00 43.88 O ATOM 1607 HA ASP X 12 4.341 2.088 2.358 1.00 0.00 H ATOM 1608 HB2 ASP X 12 2.774 2.739 4.872 1.00 0.00 H ATOM 1609 HB3 ASP X 12 3.178 3.993 3.676 1.00 0.00 H ATOM 1610 H ASP X 12 3.433 0.477 4.552 1.00 0.00 H ATOM 1611 N VAL X 13 5.818 2.772 5.258 1.00 35.68 N ATOM 1612 CA VAL X 13 7.026 3.515 5.720 1.00 36.56 C ATOM 1613 C VAL X 13 8.292 3.012 5.070 1.00 36.89 C ATOM 1614 O VAL X 13 9.229 3.810 4.843 1.00 37.34 O ATOM 1615 CB VAL X 13 7.437 3.443 7.223 1.00 38.16 C ATOM 1616 CG1 VAL X 13 7.289 4.775 7.978 1.00 42.16 C ATOM 1617 CG2 VAL X 13 7.260 2.153 7.903 1.00 34.71 C ATOM 1618 HA VAL X 13 6.691 4.520 5.464 1.00 0.00 H ATOM 1619 HB VAL X 13 8.524 3.366 7.245 1.00 0.00 H ATOM 1620 HG11 VAL X 13 7.919 5.530 7.508 1.00 0.00 H ATOM 1621 HG12 VAL X 13 6.248 5.097 7.944 1.00 0.00 H ATOM 1622 HG13 VAL X 13 7.595 4.639 9.015 1.00 0.00 H ATOM 1623 HG21 VAL X 13 6.208 1.869 7.873 1.00 0.00 H ATOM 1624 HG22 VAL X 13 7.857 1.393 7.399 1.00 0.00 H ATOM 1625 HG23 VAL X 13 7.584 2.243 8.940 1.00 0.00 H ATOM 1626 H VAL X 13 5.272 2.162 5.899 1.00 0.00 H ATOM 1627 N PHE X 14 8.348 1.705 4.801 1.00 35.46 N ATOM 1628 CA PHE X 14 9.538 1.169 4.160 1.00 35.70 C ATOM 1629 C PHE X 14 9.678 1.776 2.782 1.00 36.26 C ATOM 1630 O PHE X 14 10.764 2.310 2.448 1.00 36.84 O ATOM 1631 CB PHE X 14 9.494 -0.340 4.044 1.00 36.37 C ATOM 1632 CG PHE X 14 10.695 -0.913 3.306 1.00 36.04 C ATOM 1633 CD1 PHE X 14 11.926 -1.086 3.963 1.00 37.15 C ATOM 1634 CD2 PHE X 14 10.603 -1.226 1.952 1.00 37.99 C ATOM 1635 CE1 PHE X 14 13.027 -1.613 3.303 1.00 35.40 C ATOM 1636 CE2 PHE X 14 11.743 -1.724 1.261 1.00 36.06 C ATOM 1637 CZ PHE X 14 12.929 -1.915 1.943 1.00 34.70 C ATOM 1638 HA PHE X 14 10.396 1.426 4.781 1.00 0.00 H ATOM 1639 HB2 PHE X 14 9.467 -0.765 5.047 1.00 0.00 H ATOM 1640 HB3 PHE X 14 8.589 -0.621 3.506 1.00 0.00 H ATOM 1641 HD2 PHE X 14 9.660 -1.090 1.423 1.00 0.00 H ATOM 1642 HE2 PHE X 14 11.681 -1.954 0.197 1.00 0.00 H ATOM 1643 HZ PHE X 14 13.798 -2.306 1.414 1.00 0.00 H ATOM 1644 HE1 PHE X 14 13.959 -1.789 3.840 1.00 0.00 H ATOM 1645 HD1 PHE X 14 12.017 -0.801 5.011 1.00 0.00 H ATOM 1646 H PHE X 14 7.553 1.081 5.046 1.00 0.00 H ATOM 1647 N HIS X 15 8.583 1.759 2.002 1.00 35.80 N ATOM 1648 CA HIS X 15 8.622 2.329 0.631 1.00 36.99 C ATOM 1649 C HIS X 15 8.836 3.834 0.641 1.00 37.47 C ATOM 1650 O HIS X 15 9.466 4.398 -0.268 1.00 37.28 O ATOM 1651 CB HIS X 15 7.325 2.059 -0.130 1.00 37.97 C ATOM 1652 CG HIS X 15 7.143 0.644 -0.587 1.00 43.04 C ATOM 1653 ND1 HIS X 15 5.891 0.060 -0.654 1.00 47.20 N ATOM 1654 CD2 HIS X 15 8.011 -0.271 -1.083 1.00 43.00 C ATOM 1655 CE1 HIS X 15 6.004 -1.168 -1.128 1.00 48.04 C ATOM 1656 NE2 HIS X 15 7.282 -1.400 -1.379 1.00 46.81 N ATOM 1657 HA HIS X 15 9.461 1.838 0.138 1.00 0.00 H ATOM 1658 HB2 HIS X 15 6.490 2.314 0.523 1.00 0.00 H ATOM 1659 HB3 HIS X 15 7.308 2.704 -1.009 1.00 0.00 H ATOM 1660 HD2 HIS X 15 9.084 -0.138 -1.221 1.00 0.00 H ATOM 1661 HE1 HIS X 15 5.185 -1.870 -1.285 1.00 0.00 H ATOM 1662 H HIS X 15 7.700 1.343 2.362 1.00 0.00 H ATOM 1663 N GLN X 16 8.299 4.518 1.643 1.00 36.69 N ATOM 1664 CA GLN X 16 8.495 5.955 1.760 1.00 38.27 C ATOM 1665 C GLN X 16 9.963 6.358 1.732 1.00 37.04 C ATOM 1666 O GLN X 16 10.319 7.355 1.103 1.00 36.56 O ATOM 1667 CB GLN X 16 7.783 6.464 3.003 1.00 37.44 C ATOM 1668 CG GLN X 16 7.965 7.924 3.409 1.00 39.15 C ATOM 1669 CD GLN X 16 6.885 8.381 4.388 1.00 42.52 C ATOM 1670 OE1 GLN X 16 6.712 9.587 4.609 1.00 49.27 O ATOM 1671 NE2 GLN X 16 6.098 7.411 4.951 1.00 46.65 N ATOM 1672 HA GLN X 16 8.054 6.429 0.883 1.00 0.00 H ATOM 1673 HB2 GLN X 16 6.716 6.305 2.849 1.00 0.00 H ATOM 1674 HB3 GLN X 16 8.123 5.854 3.840 1.00 0.00 H ATOM 1675 HG2 GLN X 16 8.941 8.040 3.881 1.00 0.00 H ATOM 1676 HG3 GLN X 16 7.918 8.547 2.516 1.00 0.00 H ATOM 1677 HE22 GLN X 16 6.277 6.409 4.739 1.00 0.00 H ATOM 1678 HE21 GLN X 16 5.322 7.677 5.590 1.00 0.00 H ATOM 1679 H GLN X 16 7.729 4.019 2.356 1.00 0.00 H ATOM 1680 N TYR X 17 10.811 5.580 2.400 1.00 36.45 N ATOM 1681 CA TYR X 17 12.242 5.915 2.536 1.00 36.75 C ATOM 1682 C TYR X 17 13.118 5.158 1.540 1.00 37.13 C ATOM 1683 O TYR X 17 14.107 5.703 1.054 1.00 35.62 O ATOM 1684 CB TYR X 17 12.716 5.755 4.010 1.00 35.92 C ATOM 1685 CG TYR X 17 12.118 6.862 4.839 1.00 35.66 C ATOM 1686 CD1 TYR X 17 10.889 6.710 5.450 1.00 36.34 C ATOM 1687 CD2 TYR X 17 12.746 8.102 4.930 1.00 34.24 C ATOM 1688 CE1 TYR X 17 10.292 7.774 6.156 1.00 35.72 C ATOM 1689 CE2 TYR X 17 12.181 9.142 5.624 1.00 35.31 C ATOM 1690 CZ TYR X 17 10.977 8.969 6.257 1.00 36.12 C ATOM 1691 OH TYR X 17 10.420 10.018 6.929 1.00 35.30 O ATOM 1692 HA TYR X 17 12.359 6.967 2.278 1.00 0.00 H ATOM 1693 HB3 TYR X 17 13.804 5.812 4.053 1.00 0.00 H ATOM 1694 HB2 TYR X 17 12.389 4.790 4.397 1.00 0.00 H ATOM 1695 HD2 TYR X 17 13.708 8.249 4.439 1.00 0.00 H ATOM 1696 HE2 TYR X 17 12.689 10.105 5.672 1.00 0.00 H ATOM 1697 HE1 TYR X 17 9.309 7.656 6.613 1.00 0.00 H ATOM 1698 HD1 TYR X 17 10.372 5.752 5.385 1.00 0.00 H ATOM 1699 HH TYR X 17 9.559 9.734 7.327 1.00 0.00 H ATOM 1700 H TYR X 17 10.454 4.708 2.840 1.00 0.00 H ATOM 1701 N SER X 18 12.730 3.929 1.194 1.00 37.05 N ATOM 1702 CA SER X 18 13.570 3.131 0.290 1.00 37.38 C ATOM 1703 C SER X 18 13.630 3.665 -1.132 1.00 36.90 C ATOM 1704 O SER X 18 14.604 3.451 -1.853 1.00 35.56 O ATOM 1705 CB SER X 18 13.114 1.664 0.297 1.00 37.68 C ATOM 1706 OG SER X 18 11.866 1.606 -0.348 1.00 38.63 O ATOM 1707 HA SER X 18 14.586 3.205 0.677 1.00 0.00 H ATOM 1708 HB2 SER X 18 13.020 1.308 1.323 1.00 0.00 H ATOM 1709 HB3 SER X 18 13.837 1.047 -0.235 1.00 0.00 H ATOM 1710 HG SER X 18 11.960 1.935 -1.277 1.00 0.00 H ATOM 1711 H SER X 18 11.839 3.538 1.562 1.00 0.00 H ATOM 1712 N GLY X 19 12.591 4.383 -1.533 1.00 36.44 N ATOM 1713 CA GLY X 19 12.443 4.768 -2.933 1.00 36.71 C ATOM 1714 C GLY X 19 13.162 6.053 -3.274 1.00 37.26 C ATOM 1715 O GLY X 19 13.219 6.445 -4.444 1.00 39.04 O ATOM 1716 HA3 GLY X 19 11.382 4.896 -3.147 1.00 0.00 H ATOM 1717 HA2 GLY X 19 12.844 3.969 -3.557 1.00 0.00 H ATOM 1718 H GLY X 19 11.872 4.676 -0.841 1.00 0.00 H ATOM 1719 N ARG X 20 13.742 6.696 -2.269 1.00 36.85 N ATOM 1720 CA ARG X 20 14.321 8.037 -2.433 1.00 37.77 C ATOM 1721 C ARG X 20 15.610 8.021 -3.238 1.00 35.82 C ATOM 1722 O ARG X 20 15.844 8.932 -4.016 1.00 34.60 O ATOM 1723 CB ARG X 20 14.581 8.686 -1.062 1.00 38.69 C ATOM 1724 CG ARG X 20 13.323 8.831 -0.158 1.00 40.72 C ATOM 1725 CD ARG X 20 13.576 9.724 1.099 1.00 42.14 C ATOM 1726 NE ARG X 20 12.309 10.093 1.755 1.00 46.14 N ATOM 1727 CZ ARG X 20 12.165 10.981 2.737 1.00 47.00 C ATOM 1728 NH1 ARG X 20 13.220 11.617 3.242 1.00 44.40 N ATOM 1729 NH2 ARG X 20 10.942 11.215 3.241 1.00 47.11 N ATOM 1730 HA ARG X 20 13.590 8.625 -2.988 1.00 0.00 H ATOM 1731 HB2 ARG X 20 15.312 8.076 -0.531 1.00 0.00 H ATOM 1732 HB3 ARG X 20 14.994 9.681 -1.230 1.00 0.00 H ATOM 1733 HG2 ARG X 20 12.521 9.277 -0.746 1.00 0.00 H ATOM 1734 HG3 ARG X 20 13.018 7.839 0.176 1.00 0.00 H ATOM 1735 HD2 ARG X 20 14.095 10.632 0.792 1.00 0.00 H ATOM 1736 HD3 ARG X 20 14.196 9.174 1.807 1.00 0.00 H ATOM 1737 HE ARG X 20 11.448 9.616 1.420 1.00 0.00 H ATOM 1738 HH12 ARG X 20 13.093 12.308 4.009 1.00 0.00 H ATOM 1739 HH11 ARG X 20 14.171 11.423 2.870 1.00 0.00 H ATOM 1740 HH22 ARG X 20 10.819 11.907 4.008 1.00 0.00 H ATOM 1741 HH21 ARG X 20 10.118 10.705 2.864 1.00 0.00 H ATOM 1742 H ARG X 20 13.788 6.237 -1.337 1.00 0.00 H ATOM 1743 N GLU X 21 16.451 7.002 -3.032 1.00 34.84 N ATOM 1744 CA GLU X 21 17.802 6.951 -3.631 1.00 34.79 C ATOM 1745 C GLU X 21 18.198 5.559 -4.069 1.00 34.77 C ATOM 1746 O GLU X 21 17.841 4.574 -3.417 1.00 34.35 O ATOM 1747 CB GLU X 21 18.839 7.366 -2.601 1.00 34.58 C ATOM 1748 CG GLU X 21 18.706 8.761 -2.005 1.00 36.49 C ATOM 1749 CD GLU X 21 19.753 8.916 -0.924 1.00 39.57 C ATOM 1750 OE1 GLU X 21 20.925 9.071 -1.290 1.00 39.61 O ATOM 1751 OE2 GLU X 21 19.406 8.769 0.276 1.00 40.08 O ATOM 1752 HA GLU X 21 17.769 7.617 -4.493 1.00 0.00 H ATOM 1753 HB2 GLU X 21 18.790 6.652 -1.779 1.00 0.00 H ATOM 1754 HB3 GLU X 21 19.818 7.304 -3.077 1.00 0.00 H ATOM 1755 HG2 GLU X 21 18.863 9.510 -2.781 1.00 0.00 H ATOM 1756 HG3 GLU X 21 17.712 8.886 -1.576 1.00 0.00 H ATOM 1757 H GLU X 21 16.143 6.214 -2.427 1.00 0.00 H ATOM 1758 N GLY X 22 19.028 5.478 -5.107 1.00 34.67 N ATOM 1759 CA GLY X 22 19.601 4.198 -5.515 1.00 35.31 C ATOM 1760 C GLY X 22 18.593 3.068 -5.706 1.00 35.91 C ATOM 1761 O GLY X 22 17.547 3.240 -6.325 1.00 35.69 O ATOM 1762 HA3 GLY X 22 20.315 3.889 -4.751 1.00 0.00 H ATOM 1763 HA2 GLY X 22 20.124 4.348 -6.460 1.00 0.00 H ATOM 1764 H GLY X 22 19.272 6.340 -5.636 1.00 0.00 H ATOM 1765 N ASP X 23 18.876 1.907 -5.116 1.00 36.94 N ATOM 1766 CA ASP X 23 17.979 0.760 -5.210 1.00 37.16 C ATOM 1767 C ASP X 23 16.673 1.153 -4.557 1.00 38.04 C ATOM 1768 O ASP X 23 16.641 1.433 -3.371 1.00 37.04 O ATOM 1769 CB ASP X 23 18.612 -0.441 -4.450 1.00 38.10 C ATOM 1770 CG ASP X 23 17.804 -1.745 -4.566 1.00 39.05 C ATOM 1771 OD1 ASP X 23 16.549 -1.753 -4.604 1.00 39.49 O ATOM 1772 OD2 ASP X 23 18.452 -2.813 -4.549 1.00 41.60 O ATOM 1773 HA ASP X 23 17.813 0.471 -6.248 1.00 0.00 H ATOM 1774 HB2 ASP X 23 19.609 -0.617 -4.854 1.00 0.00 H ATOM 1775 HB3 ASP X 23 18.690 -0.178 -3.395 1.00 0.00 H ATOM 1776 H ASP X 23 19.759 1.816 -4.574 1.00 0.00 H ATOM 1777 N LYS X 24 15.581 1.139 -5.308 1.00 38.54 N ATOM 1778 CA LYS X 24 14.311 1.646 -4.769 1.00 39.62 C ATOM 1779 C LYS X 24 13.653 0.710 -3.757 1.00 39.90 C ATOM 1780 O LYS X 24 12.656 1.068 -3.115 1.00 39.34 O ATOM 1781 CB LYS X 24 13.335 1.978 -5.904 1.00 40.58 C ATOM 1782 CG LYS X 24 13.771 3.147 -6.749 1.00 41.54 C ATOM 1783 CD LYS X 24 12.775 3.296 -7.869 1.00 48.28 C ATOM 1784 CE LYS X 24 13.351 4.061 -9.027 1.00 51.62 C ATOM 1785 NZ LYS X 24 13.278 5.533 -8.857 1.00 53.97 N ATOM 1786 HA LYS X 24 14.561 2.556 -4.223 1.00 0.00 H ATOM 1787 HB2 LYS X 24 13.242 1.103 -6.547 1.00 0.00 H ATOM 1788 HB3 LYS X 24 12.364 2.211 -5.467 1.00 0.00 H ATOM 1789 HG2 LYS X 24 13.791 4.055 -6.146 1.00 0.00 H ATOM 1790 HG3 LYS X 24 14.765 2.961 -7.157 1.00 0.00 H ATOM 1791 HD2 LYS X 24 12.478 2.305 -8.212 1.00 0.00 H ATOM 1792 HD3 LYS X 24 11.899 3.827 -7.495 1.00 0.00 H ATOM 1793 HE2 LYS X 24 12.801 3.790 -9.928 1.00 0.00 H ATOM 1794 HE3 LYS X 24 14.397 3.778 -9.142 1.00 0.00 H ATOM 1795 HZ1 LYS X 24 12.284 5.820 -8.756 1.00 0.00 H ATOM 1796 HZ2 LYS X 24 13.808 5.809 -8.006 1.00 0.00 H ATOM 1797 HZ3 LYS X 24 13.692 5.998 -9.690 1.00 0.00 H ATOM 1798 H LYS X 24 15.623 0.769 -6.279 1.00 0.00 H ATOM 1799 N HIS X 25 14.247 -0.474 -3.577 1.00 40.23 N ATOM 1800 CA HIS X 25 13.704 -1.490 -2.673 1.00 40.77 C ATOM 1801 C HIS X 25 14.602 -1.832 -1.491 1.00 39.89 C ATOM 1802 O HIS X 25 14.391 -2.820 -0.793 1.00 40.14 O ATOM 1803 CB HIS X 25 13.433 -2.747 -3.471 1.00 42.66 C ATOM 1804 CG HIS X 25 12.056 -3.283 -3.287 1.00 46.20 C ATOM 1805 ND1 HIS X 25 11.677 -4.525 -3.745 1.00 51.65 N ATOM 1806 CD2 HIS X 25 10.960 -2.744 -2.697 1.00 48.62 C ATOM 1807 CE1 HIS X 25 10.409 -4.734 -3.434 1.00 52.56 C ATOM 1808 NE2 HIS X 25 9.954 -3.669 -2.796 1.00 53.04 N ATOM 1809 HA HIS X 25 12.795 -1.069 -2.244 1.00 0.00 H ATOM 1810 HB2 HIS X 25 13.578 -2.523 -4.528 1.00 0.00 H ATOM 1811 HB3 HIS X 25 14.145 -3.512 -3.162 1.00 0.00 H ATOM 1812 HD2 HIS X 25 10.892 -1.761 -2.232 1.00 0.00 H ATOM 1813 HE1 HIS X 25 9.836 -5.632 -3.665 1.00 0.00 H ATOM 1814 H HIS X 25 15.124 -0.680 -4.096 1.00 0.00 H ATOM 1815 N LYS X 26 15.600 -0.991 -1.253 1.00 37.13 N ATOM 1816 CA LYS X 26 16.435 -1.150 -0.092 1.00 37.70 C ATOM 1817 C LYS X 26 16.686 0.210 0.504 1.00 36.55 C ATOM 1818 O LYS X 26 16.663 1.208 -0.214 1.00 37.36 O ATOM 1819 CB LYS X 26 17.763 -1.803 -0.468 1.00 36.71 C ATOM 1820 CG LYS X 26 17.661 -3.277 -0.919 1.00 37.04 C ATOM 1821 CD LYS X 26 19.021 -3.758 -1.423 1.00 37.50 C ATOM 1822 CE LYS X 26 18.922 -5.159 -2.030 1.00 39.31 C ATOM 1823 NZ LYS X 26 17.968 -5.190 -3.191 1.00 44.93 N ATOM 1824 HA LYS X 26 15.934 -1.794 0.631 1.00 0.00 H ATOM 1825 HB2 LYS X 26 18.203 -1.229 -1.283 1.00 0.00 H ATOM 1826 HB3 LYS X 26 18.420 -1.760 0.401 1.00 0.00 H ATOM 1827 HG2 LYS X 26 17.348 -3.893 -0.076 1.00 0.00 H ATOM 1828 HG3 LYS X 26 16.927 -3.361 -1.721 1.00 0.00 H ATOM 1829 HD2 LYS X 26 19.384 -3.066 -2.183 1.00 0.00 H ATOM 1830 HD3 LYS X 26 19.722 -3.780 -0.589 1.00 0.00 H ATOM 1831 HE2 LYS X 26 18.573 -5.853 -1.265 1.00 0.00 H ATOM 1832 HE3 LYS X 26 19.909 -5.467 -2.374 1.00 0.00 H ATOM 1833 HZ1 LYS X 26 17.022 -4.903 -2.868 1.00 0.00 H ATOM 1834 HZ2 LYS X 26 18.299 -4.534 -3.927 1.00 0.00 H ATOM 1835 HZ3 LYS X 26 17.926 -6.155 -3.578 1.00 0.00 H ATOM 1836 H LYS X 26 15.781 -0.208 -1.913 1.00 0.00 H ATOM 1837 N LEU X 27 16.887 0.235 1.821 1.00 36.94 N ATOM 1838 CA LEU X 27 17.322 1.441 2.539 1.00 35.59 C ATOM 1839 C LEU X 27 18.840 1.495 2.570 1.00 36.42 C ATOM 1840 O LEU X 27 19.461 0.660 3.192 1.00 36.34 O ATOM 1841 CB LEU X 27 16.801 1.427 3.981 1.00 35.61 C ATOM 1842 CG LEU X 27 15.279 1.411 4.184 1.00 33.87 C ATOM 1843 CD1 LEU X 27 14.966 1.018 5.639 1.00 34.22 C ATOM 1844 CD2 LEU X 27 14.653 2.762 3.785 1.00 31.01 C ATOM 1845 HA LEU X 27 16.923 2.313 2.021 1.00 0.00 H ATOM 1846 HB2 LEU X 27 17.205 0.538 4.466 1.00 0.00 H ATOM 1847 HB3 LEU X 27 17.188 2.317 4.477 1.00 0.00 H ATOM 1848 HG LEU X 27 14.828 0.665 3.529 1.00 0.00 H ATOM 1849 HD21 LEU X 27 15.080 3.554 4.400 1.00 0.00 H ATOM 1850 HD22 LEU X 27 14.864 2.962 2.734 1.00 0.00 H ATOM 1851 HD23 LEU X 27 13.575 2.721 3.939 1.00 0.00 H ATOM 1852 HD11 LEU X 27 15.373 0.027 5.842 1.00 0.00 H ATOM 1853 HD12 LEU X 27 15.418 1.744 6.315 1.00 0.00 H ATOM 1854 HD13 LEU X 27 13.886 1.006 5.786 1.00 0.00 H ATOM 1855 H LEU X 27 16.729 -0.637 2.365 1.00 0.00 H ATOM 1856 N LYS X 28 19.447 2.462 1.897 1.00 35.21 N ATOM 1857 CA LYS X 28 20.877 2.674 2.104 1.00 36.27 C ATOM 1858 C LYS X 28 20.999 3.450 3.391 1.00 35.76 C ATOM 1859 O LYS X 28 19.976 3.873 3.948 1.00 37.46 O ATOM 1860 CB LYS X 28 21.532 3.430 0.926 1.00 36.41 C ATOM 1861 CG LYS X 28 21.005 4.818 0.641 1.00 37.18 C ATOM 1862 CD LYS X 28 21.419 5.240 -0.805 1.00 36.15 C ATOM 1863 CE LYS X 28 22.916 5.351 -0.988 1.00 40.11 C ATOM 1864 NZ LYS X 28 23.395 6.769 -0.897 1.00 39.70 N ATOM 1865 HA LYS X 28 21.403 1.721 2.160 1.00 0.00 H ATOM 1866 HB2 LYS X 28 22.597 3.517 1.139 1.00 0.00 H ATOM 1867 HB3 LYS X 28 21.390 2.830 0.027 1.00 0.00 H ATOM 1868 HG2 LYS X 28 19.918 4.819 0.724 1.00 0.00 H ATOM 1869 HG3 LYS X 28 21.424 5.522 1.360 1.00 0.00 H ATOM 1870 HD2 LYS X 28 21.038 4.497 -1.505 1.00 0.00 H ATOM 1871 HD3 LYS X 28 20.970 6.208 -1.025 1.00 0.00 H ATOM 1872 HE2 LYS X 28 23.180 4.953 -1.968 1.00 0.00 H ATOM 1873 HE3 LYS X 28 23.409 4.763 -0.214 1.00 0.00 H ATOM 1874 HZ1 LYS X 28 22.936 7.337 -1.637 1.00 0.00 H ATOM 1875 HZ2 LYS X 28 23.154 7.156 0.038 1.00 0.00 H ATOM 1876 HZ3 LYS X 28 24.426 6.794 -1.029 1.00 0.00 H ATOM 1877 H LYS X 28 18.914 3.059 1.233 1.00 0.00 H ATOM 1878 N LYS X 29 22.212 3.637 3.880 1.00 35.41 N ATOM 1879 CA LYS X 29 22.390 4.290 5.181 1.00 35.29 C ATOM 1880 C LYS X 29 21.733 5.652 5.266 1.00 35.46 C ATOM 1881 O LYS X 29 21.115 5.995 6.284 1.00 34.46 O ATOM 1882 CB LYS X 29 23.872 4.329 5.591 1.00 33.75 C ATOM 1883 CG LYS X 29 24.381 2.915 6.010 1.00 35.59 C ATOM 1884 CD LYS X 29 25.867 2.974 6.365 1.00 35.72 C ATOM 1885 CE LYS X 29 26.716 3.509 5.195 1.00 41.88 C ATOM 1886 NZ LYS X 29 27.120 2.423 4.244 1.00 45.86 N ATOM 1887 HA LYS X 29 21.864 3.672 5.909 1.00 0.00 H ATOM 1888 HB2 LYS X 29 24.465 4.685 4.748 1.00 0.00 H ATOM 1889 HB3 LYS X 29 23.990 5.013 6.431 1.00 0.00 H ATOM 1890 HG2 LYS X 29 23.817 2.571 6.877 1.00 0.00 H ATOM 1891 HG3 LYS X 29 24.235 2.220 5.183 1.00 0.00 H ATOM 1892 HD2 LYS X 29 25.998 3.630 7.225 1.00 0.00 H ATOM 1893 HD3 LYS X 29 26.209 1.971 6.619 1.00 0.00 H ATOM 1894 HE2 LYS X 29 27.615 3.975 5.598 1.00 0.00 H ATOM 1895 HE3 LYS X 29 26.135 4.254 4.651 1.00 0.00 H ATOM 1896 HZ1 LYS X 29 27.682 1.711 4.752 1.00 0.00 H ATOM 1897 HZ2 LYS X 29 26.268 1.976 3.848 1.00 0.00 H ATOM 1898 HZ3 LYS X 29 27.689 2.831 3.475 1.00 0.00 H ATOM 1899 H LYS X 29 23.043 3.320 3.341 1.00 0.00 H ATOM 1900 N SER X 30 21.840 6.440 4.196 1.00 35.69 N ATOM 1901 CA SER X 30 21.198 7.753 4.189 1.00 34.80 C ATOM 1902 C SER X 30 19.687 7.673 4.389 1.00 35.10 C ATOM 1903 O SER X 30 19.137 8.471 5.154 1.00 34.11 O ATOM 1904 CB SER X 30 21.610 8.592 2.938 1.00 35.54 C ATOM 1905 OG SER X 30 21.331 7.872 1.726 1.00 33.93 O ATOM 1906 HA SER X 30 21.573 8.293 5.058 1.00 0.00 H ATOM 1907 HB2 SER X 30 22.677 8.808 2.988 1.00 0.00 H ATOM 1908 HB3 SER X 30 21.051 9.528 2.935 1.00 0.00 H ATOM 1909 HG SER X 30 20.362 7.677 1.675 1.00 0.00 H ATOM 1910 H SER X 30 22.380 6.121 3.367 1.00 0.00 H ATOM 1911 N GLU X 31 19.025 6.704 3.743 1.00 33.48 N ATOM 1912 CA GLU X 31 17.577 6.559 3.832 1.00 34.35 C ATOM 1913 C GLU X 31 17.173 6.040 5.219 1.00 34.18 C ATOM 1914 O GLU X 31 16.200 6.490 5.810 1.00 35.15 O ATOM 1915 CB GLU X 31 17.061 5.613 2.736 1.00 33.99 C ATOM 1916 CG GLU X 31 17.197 6.165 1.295 1.00 32.48 C ATOM 1917 CD GLU X 31 17.013 5.088 0.213 1.00 33.89 C ATOM 1918 OE1 GLU X 31 17.398 3.909 0.409 1.00 34.19 O ATOM 1919 OE2 GLU X 31 16.518 5.411 -0.862 1.00 35.52 O ATOM 1920 HA GLU X 31 17.124 7.539 3.683 1.00 0.00 H ATOM 1921 HB2 GLU X 31 17.623 4.681 2.798 1.00 0.00 H ATOM 1922 HB3 GLU X 31 16.006 5.414 2.927 1.00 0.00 H ATOM 1923 HG2 GLU X 31 16.442 6.937 1.147 1.00 0.00 H ATOM 1924 HG3 GLU X 31 18.189 6.602 1.184 1.00 0.00 H ATOM 1925 H GLU X 31 19.562 6.032 3.158 1.00 0.00 H ATOM 1926 N LEU X 32 17.972 5.131 5.760 1.00 33.90 N ATOM 1927 CA LEU X 32 17.716 4.583 7.077 1.00 33.67 C ATOM 1928 C LEU X 32 17.821 5.667 8.155 1.00 33.22 C ATOM 1929 O LEU X 32 17.021 5.690 9.093 1.00 33.87 O ATOM 1930 CB LEU X 32 18.706 3.445 7.360 1.00 33.78 C ATOM 1931 CG LEU X 32 18.576 2.846 8.762 1.00 34.52 C ATOM 1932 CD1 LEU X 32 17.176 2.121 8.980 1.00 32.82 C ATOM 1933 CD2 LEU X 32 19.822 1.932 9.050 1.00 34.23 C ATOM 1934 HA LEU X 32 16.700 4.190 7.101 1.00 0.00 H ATOM 1935 HB2 LEU X 32 18.537 2.653 6.631 1.00 0.00 H ATOM 1936 HB3 LEU X 32 19.718 3.833 7.245 1.00 0.00 H ATOM 1937 HG LEU X 32 18.578 3.647 9.501 1.00 0.00 H ATOM 1938 HD21 LEU X 32 19.862 1.131 8.311 1.00 0.00 H ATOM 1939 HD22 LEU X 32 20.731 2.530 8.989 1.00 0.00 H ATOM 1940 HD23 LEU X 32 19.733 1.503 10.048 1.00 0.00 H ATOM 1941 HD11 LEU X 32 16.370 2.842 8.844 1.00 0.00 H ATOM 1942 HD12 LEU X 32 17.070 1.314 8.255 1.00 0.00 H ATOM 1943 HD13 LEU X 32 17.133 1.713 9.990 1.00 0.00 H ATOM 1944 H LEU X 32 18.802 4.803 5.227 1.00 0.00 H ATOM 1945 N LYS X 33 18.795 6.563 8.020 1.00 32.95 N ATOM 1946 CA LYS X 33 18.951 7.652 8.963 1.00 31.92 C ATOM 1947 C LYS X 33 17.722 8.544 8.941 1.00 32.33 C ATOM 1948 O LYS X 33 17.234 8.960 9.980 1.00 33.07 O ATOM 1949 CB LYS X 33 20.197 8.480 8.602 1.00 31.87 C ATOM 1950 CG LYS X 33 20.362 9.726 9.449 1.00 31.82 C ATOM 1951 CD LYS X 33 21.662 10.488 9.079 1.00 32.49 C ATOM 1952 CE LYS X 33 21.647 11.867 9.723 1.00 36.53 C ATOM 1953 NZ LYS X 33 22.904 12.647 9.485 1.00 40.99 N ATOM 1954 HA LYS X 33 19.070 7.236 9.964 1.00 0.00 H ATOM 1955 HB2 LYS X 33 21.079 7.853 8.735 1.00 0.00 H ATOM 1956 HB3 LYS X 33 20.121 8.781 7.557 1.00 0.00 H ATOM 1957 HG2 LYS X 33 19.507 10.382 9.287 1.00 0.00 H ATOM 1958 HG3 LYS X 33 20.405 9.439 10.500 1.00 0.00 H ATOM 1959 HD2 LYS X 33 22.526 9.929 9.439 1.00 0.00 H ATOM 1960 HD3 LYS X 33 21.725 10.594 7.996 1.00 0.00 H ATOM 1961 HE2 LYS X 33 21.513 11.746 10.798 1.00 0.00 H ATOM 1962 HE3 LYS X 33 20.808 12.430 9.315 1.00 0.00 H ATOM 1963 HZ1 LYS X 33 23.714 12.126 9.878 1.00 0.00 H ATOM 1964 HZ2 LYS X 33 23.040 12.780 8.462 1.00 0.00 H ATOM 1965 HZ3 LYS X 33 22.828 13.574 9.949 1.00 0.00 H ATOM 1966 H LYS X 33 19.457 6.480 7.222 1.00 0.00 H ATOM 1967 N GLU X 34 17.233 8.856 7.747 1.00 32.79 N ATOM 1968 CA GLU X 34 16.044 9.685 7.612 1.00 34.09 C ATOM 1969 C GLU X 34 14.819 9.036 8.220 1.00 33.49 C ATOM 1970 O GLU X 34 14.004 9.703 8.844 1.00 34.72 O ATOM 1971 CB GLU X 34 15.776 9.970 6.140 1.00 34.50 C ATOM 1972 CG GLU X 34 16.784 10.964 5.507 1.00 38.63 C ATOM 1973 CD GLU X 34 16.398 12.404 5.763 1.00 47.72 C ATOM 1974 OE2 GLU X 34 16.428 12.836 6.939 1.00 51.51 O ATOM 1975 HA GLU X 34 16.237 10.612 8.152 1.00 0.00 H ATOM 1976 HB2 GLU X 34 15.828 9.030 5.591 1.00 0.00 H ATOM 1977 HB3 GLU X 34 14.774 10.389 6.047 1.00 0.00 H ATOM 1978 HG2 GLU X 34 17.771 10.783 5.932 1.00 0.00 H ATOM 1979 HG3 GLU X 34 16.817 10.794 4.431 1.00 0.00 H ATOM 1980 H GLU X 34 17.708 8.502 6.892 1.00 0.00 H ATOM 1981 N LEU X 35 14.678 7.726 8.011 1.00 34.55 N ATOM 1982 CA LEU X 35 13.546 6.973 8.559 1.00 33.66 C ATOM 1983 C LEU X 35 13.547 7.023 10.088 1.00 33.66 C ATOM 1984 O LEU X 35 12.546 7.373 10.713 1.00 34.20 O ATOM 1985 CB LEU X 35 13.584 5.532 8.059 1.00 34.64 C ATOM 1986 CG LEU X 35 12.362 4.674 8.422 1.00 31.81 C ATOM 1987 CD1 LEU X 35 12.225 3.559 7.429 1.00 35.26 C ATOM 1988 CD2 LEU X 35 12.531 4.075 9.807 1.00 33.28 C ATOM 1989 HA LEU X 35 12.621 7.435 8.214 1.00 0.00 H ATOM 1990 HB2 LEU X 35 13.668 5.555 6.972 1.00 0.00 H ATOM 1991 HB3 LEU X 35 14.468 5.053 8.480 1.00 0.00 H ATOM 1992 HG LEU X 35 11.474 5.306 8.407 1.00 0.00 H ATOM 1993 HD21 LEU X 35 13.423 3.449 9.825 1.00 0.00 H ATOM 1994 HD22 LEU X 35 12.633 4.877 10.538 1.00 0.00 H ATOM 1995 HD23 LEU X 35 11.657 3.470 10.049 1.00 0.00 H ATOM 1996 HD11 LEU X 35 12.094 3.977 6.431 1.00 0.00 H ATOM 1997 HD12 LEU X 35 13.123 2.942 7.451 1.00 0.00 H ATOM 1998 HD13 LEU X 35 11.358 2.950 7.686 1.00 0.00 H ATOM 1999 H LEU X 35 15.391 7.225 7.443 1.00 0.00 H ATOM 2000 N ILE X 36 14.681 6.680 10.686 1.00 33.20 N ATOM 2001 CA ILE X 36 14.831 6.743 12.150 1.00 34.12 C ATOM 2002 C ILE X 36 14.546 8.132 12.751 1.00 33.96 C ATOM 2003 O ILE X 36 13.790 8.241 13.736 1.00 33.30 O ATOM 2004 CB ILE X 36 16.235 6.211 12.598 1.00 34.54 C ATOM 2005 CG1 ILE X 36 16.295 4.706 12.362 1.00 35.20 C ATOM 2006 CG2 ILE X 36 16.549 6.589 14.071 1.00 36.13 C ATOM 2007 CD1 ILE X 36 17.744 4.151 12.235 1.00 32.33 C ATOM 2008 HA ILE X 36 14.060 6.086 12.552 1.00 0.00 H ATOM 2009 HB ILE X 36 17.009 6.689 11.997 1.00 0.00 H ATOM 2010 HG12 ILE X 36 15.807 4.206 13.199 1.00 0.00 H ATOM 2011 HG13 ILE X 36 15.757 4.480 11.441 1.00 0.00 H ATOM 2012 HD11 ILE X 36 18.244 4.633 11.395 1.00 0.00 H ATOM 2013 HD12 ILE X 36 18.293 4.359 13.153 1.00 0.00 H ATOM 2014 HD13 ILE X 36 17.706 3.074 12.068 1.00 0.00 H ATOM 2015 HG21 ILE X 36 16.543 7.674 14.175 1.00 0.00 H ATOM 2016 HG22 ILE X 36 15.792 6.156 14.725 1.00 0.00 H ATOM 2017 HG23 ILE X 36 17.531 6.202 14.343 1.00 0.00 H ATOM 2018 H ILE X 36 15.483 6.359 10.107 1.00 0.00 H ATOM 2019 N ASN X 37 15.126 9.173 12.142 1.00 34.38 N ATOM 2020 CA ASN X 37 15.002 10.552 12.645 1.00 34.92 C ATOM 2021 C ASN X 37 13.599 11.101 12.474 1.00 35.65 C ATOM 2022 O ASN X 37 13.111 11.845 13.346 1.00 35.63 O ATOM 2023 CB ASN X 37 16.029 11.493 11.974 1.00 34.43 C ATOM 2024 CG ASN X 37 17.468 11.199 12.390 1.00 35.31 C ATOM 2025 OD1 ASN X 37 18.431 11.706 11.768 1.00 37.60 O ATOM 2026 ND2 ASN X 37 17.635 10.414 13.444 1.00 32.49 N ATOM 2027 HA ASN X 37 15.215 10.510 13.713 1.00 0.00 H ATOM 2028 HB2 ASN X 37 15.950 11.380 10.893 1.00 0.00 H ATOM 2029 HB3 ASN X 37 15.791 12.520 12.249 1.00 0.00 H ATOM 2030 HD22 ASN X 37 16.808 10.014 13.931 1.00 0.00 H ATOM 2031 HD21 ASN X 37 18.594 10.198 13.785 1.00 0.00 H ATOM 2032 H ASN X 37 15.685 9.002 11.282 1.00 0.00 H ATOM 2033 N ASN X 38 12.931 10.733 11.375 1.00 35.19 N ATOM 2034 CA ASN X 38 11.589 11.304 11.105 1.00 35.89 C ATOM 2035 C ASN X 38 10.424 10.447 11.611 1.00 36.01 C ATOM 2036 O ASN X 38 9.312 10.962 11.818 1.00 35.97 O ATOM 2037 CB ASN X 38 11.390 11.523 9.614 1.00 36.04 C ATOM 2038 CG ASN X 38 12.332 12.582 9.041 1.00 40.37 C ATOM 2039 OD1 ASN X 38 12.486 13.676 9.594 1.00 43.15 O ATOM 2040 ND2 ASN X 38 12.937 12.268 7.918 1.00 42.53 N ATOM 2041 HA ASN X 38 11.573 12.244 11.656 1.00 0.00 H ATOM 2042 HB2 ASN X 38 11.568 10.581 9.096 1.00 0.00 H ATOM 2043 HB3 ASN X 38 10.362 11.841 9.442 1.00 0.00 H ATOM 2044 HD22 ASN X 38 12.779 11.335 7.486 1.00 0.00 H ATOM 2045 HD21 ASN X 38 13.574 12.952 7.461 1.00 0.00 H ATOM 2046 H ASN X 38 13.351 10.050 10.713 1.00 0.00 H ATOM 2047 N GLU X 39 10.658 9.145 11.766 1.00 34.70 N ATOM 2048 CA GLU X 39 9.575 8.208 12.065 1.00 34.47 C ATOM 2049 C GLU X 39 9.742 7.456 13.381 1.00 35.42 C ATOM 2050 O GLU X 39 8.776 6.837 13.893 1.00 36.33 O ATOM 2051 CB GLU X 39 9.337 7.226 10.884 1.00 34.73 C ATOM 2052 CG GLU X 39 9.302 7.853 9.459 1.00 33.91 C ATOM 2053 CD GLU X 39 8.202 8.879 9.239 1.00 37.94 C ATOM 2054 OE1 GLU X 39 7.202 8.858 9.987 1.00 35.10 O ATOM 2055 OE2 GLU X 39 8.320 9.685 8.278 1.00 34.86 O ATOM 2056 HA GLU X 39 8.686 8.826 12.194 1.00 0.00 H ATOM 2057 HB2 GLU X 39 10.137 6.486 10.901 1.00 0.00 H ATOM 2058 HB3 GLU X 39 8.381 6.730 11.052 1.00 0.00 H ATOM 2059 HG2 GLU X 39 10.261 8.340 9.279 1.00 0.00 H ATOM 2060 HG3 GLU X 39 9.164 7.048 8.738 1.00 0.00 H ATOM 2061 H GLU X 39 11.630 8.787 11.673 1.00 0.00 H ATOM 2062 N LEU X 40 10.943 7.485 13.956 1.00 35.19 N ATOM 2063 CA LEU X 40 11.143 6.844 15.259 1.00 35.36 C ATOM 2064 C LEU X 40 11.628 7.807 16.346 1.00 36.38 C ATOM 2065 O LEU X 40 12.314 7.396 17.294 1.00 36.13 O ATOM 2066 CB LEU X 40 12.027 5.600 15.123 1.00 34.62 C ATOM 2067 CG LEU X 40 11.387 4.527 14.257 1.00 34.05 C ATOM 2068 CD1 LEU X 40 12.446 3.496 13.798 1.00 35.52 C ATOM 2069 CD2 LEU X 40 10.312 3.758 15.080 1.00 34.71 C ATOM 2070 HA LEU X 40 10.163 6.515 15.605 1.00 0.00 H ATOM 2071 HB2 LEU X 40 12.977 5.892 14.675 1.00 0.00 H ATOM 2072 HB3 LEU X 40 12.207 5.188 16.116 1.00 0.00 H ATOM 2073 HG LEU X 40 10.939 5.017 13.392 1.00 0.00 H ATOM 2074 HD21 LEU X 40 10.784 3.291 15.945 1.00 0.00 H ATOM 2075 HD22 LEU X 40 9.545 4.456 15.416 1.00 0.00 H ATOM 2076 HD23 LEU X 40 9.857 2.991 14.454 1.00 0.00 H ATOM 2077 HD11 LEU X 40 13.219 4.003 13.220 1.00 0.00 H ATOM 2078 HD12 LEU X 40 12.895 3.024 14.672 1.00 0.00 H ATOM 2079 HD13 LEU X 40 11.968 2.737 13.179 1.00 0.00 H ATOM 2080 H LEU X 40 11.737 7.961 13.482 1.00 0.00 H ATOM 2081 N SER X 41 11.205 9.064 16.215 1.00 36.94 N ATOM 2082 CA SER X 41 11.681 10.145 17.101 1.00 39.22 C ATOM 2083 C SER X 41 11.234 9.989 18.561 1.00 39.96 C ATOM 2084 O SER X 41 11.775 10.647 19.444 1.00 40.76 O ATOM 2085 CB SER X 41 11.291 11.518 16.558 1.00 39.66 C ATOM 2086 OG SER X 41 9.904 11.753 16.693 1.00 41.62 O ATOM 2087 HA SER X 41 12.768 10.063 17.106 1.00 0.00 H ATOM 2088 HB2 SER X 41 11.559 11.571 15.503 1.00 0.00 H ATOM 2089 HB3 SER X 41 11.836 12.285 17.109 1.00 0.00 H ATOM 2090 HG SER X 41 9.403 11.063 16.190 1.00 0.00 H ATOM 2091 H SER X 41 10.519 9.290 15.467 1.00 0.00 H ATOM 2092 N HIS X 42 10.258 9.124 18.826 1.00 40.65 N ATOM 2093 CA HIS X 42 9.812 8.907 20.203 1.00 42.09 C ATOM 2094 C HIS X 42 10.407 7.647 20.782 1.00 42.34 C ATOM 2095 O HIS X 42 10.554 7.530 22.004 1.00 42.80 O ATOM 2096 CB HIS X 42 8.285 8.841 20.281 1.00 42.83 C ATOM 2097 CG HIS X 42 7.610 10.105 19.849 1.00 42.36 C ATOM 2098 ND1 HIS X 42 7.002 10.243 18.616 1.00 41.66 N ATOM 2099 CD2 HIS X 42 7.463 11.295 20.479 1.00 41.54 C ATOM 2100 CE1 HIS X 42 6.499 11.460 18.514 1.00 42.80 C ATOM 2101 NE2 HIS X 42 6.774 12.121 19.626 1.00 41.56 N ATOM 2102 HA HIS X 42 10.159 9.756 20.792 1.00 0.00 H ATOM 2103 HB2 HIS X 42 7.941 8.029 19.640 1.00 0.00 H ATOM 2104 HB3 HIS X 42 8.001 8.633 21.312 1.00 0.00 H ATOM 2105 HD2 HIS X 42 7.824 11.549 21.476 1.00 0.00 H ATOM 2106 HE1 HIS X 42 5.950 11.853 17.658 1.00 0.00 H ATOM 2107 H HIS X 42 9.809 8.598 18.049 1.00 0.00 H ATOM 2108 N PHE X 43 10.781 6.730 19.899 1.00 41.72 N ATOM 2109 CA PHE X 43 11.360 5.447 20.294 1.00 42.81 C ATOM 2110 C PHE X 43 12.880 5.425 20.308 1.00 42.49 C ATOM 2111 O PHE X 43 13.479 4.666 21.082 1.00 43.56 O ATOM 2112 CB PHE X 43 10.876 4.312 19.376 1.00 41.91 C ATOM 2113 CG PHE X 43 9.392 4.025 19.463 1.00 44.31 C ATOM 2114 CD1 PHE X 43 8.584 4.644 20.415 1.00 44.86 C ATOM 2115 CD2 PHE X 43 8.816 3.079 18.602 1.00 43.92 C ATOM 2116 CE1 PHE X 43 7.215 4.359 20.493 1.00 46.95 C ATOM 2117 CE2 PHE X 43 7.457 2.778 18.677 1.00 45.09 C ATOM 2118 CZ PHE X 43 6.662 3.423 19.624 1.00 43.93 C ATOM 2119 HA PHE X 43 11.015 5.298 21.317 1.00 0.00 H ATOM 2120 HB2 PHE X 43 11.111 4.582 18.347 1.00 0.00 H ATOM 2121 HB3 PHE X 43 11.415 3.403 19.644 1.00 0.00 H ATOM 2122 HD2 PHE X 43 9.439 2.573 17.865 1.00 0.00 H ATOM 2123 HE2 PHE X 43 7.019 2.044 18.001 1.00 0.00 H ATOM 2124 HZ PHE X 43 5.598 3.192 19.684 1.00 0.00 H ATOM 2125 HE1 PHE X 43 6.589 4.865 21.227 1.00 0.00 H ATOM 2126 HD1 PHE X 43 9.024 5.360 21.109 1.00 0.00 H ATOM 2127 H PHE X 43 10.657 6.932 18.886 1.00 0.00 H ATOM 2128 N LEU X 44 13.505 6.215 19.440 1.00 42.59 N ATOM 2129 CA LEU X 44 14.956 6.153 19.262 1.00 42.62 C ATOM 2130 C LEU X 44 15.598 7.535 19.243 1.00 42.52 C ATOM 2131 O LEU X 44 15.017 8.505 18.770 1.00 40.38 O ATOM 2132 CB LEU X 44 15.312 5.433 17.958 1.00 42.26 C ATOM 2133 CG LEU X 44 15.028 3.934 17.788 1.00 43.38 C ATOM 2134 CD1 LEU X 44 15.386 3.490 16.368 1.00 43.28 C ATOM 2135 CD2 LEU X 44 15.764 3.075 18.854 1.00 46.16 C ATOM 2136 HA LEU X 44 15.345 5.601 20.117 1.00 0.00 H ATOM 2137 HB2 LEU X 44 14.772 5.945 17.162 1.00 0.00 H ATOM 2138 HB3 LEU X 44 16.384 5.566 17.811 1.00 0.00 H ATOM 2139 HG LEU X 44 13.961 3.774 17.945 1.00 0.00 H ATOM 2140 HD21 LEU X 44 16.839 3.230 18.764 1.00 0.00 H ATOM 2141 HD22 LEU X 44 15.435 3.373 19.849 1.00 0.00 H ATOM 2142 HD23 LEU X 44 15.533 2.022 18.693 1.00 0.00 H ATOM 2143 HD11 LEU X 44 14.787 4.052 15.651 1.00 0.00 H ATOM 2144 HD12 LEU X 44 16.444 3.678 16.186 1.00 0.00 H ATOM 2145 HD13 LEU X 44 15.180 2.425 16.259 1.00 0.00 H ATOM 2146 H LEU X 44 12.951 6.891 18.876 1.00 0.00 H ATOM 2147 N GLU X 45 16.827 7.592 19.742 1.00 43.54 N ATOM 2148 CA GLU X 45 17.585 8.826 19.819 1.00 42.89 C ATOM 2149 C GLU X 45 17.876 9.329 18.397 1.00 43.36 C ATOM 2150 O GLU X 45 18.162 8.535 17.510 1.00 43.35 O ATOM 2151 CB GLU X 45 18.895 8.555 20.583 1.00 44.17 C ATOM 2152 CG GLU X 45 18.719 8.211 22.081 1.00 44.05 C ATOM 2153 HA GLU X 45 17.018 9.592 20.348 1.00 0.00 H ATOM 2154 HB2 GLU X 45 19.401 7.719 20.101 1.00 0.00 H ATOM 2155 HB3 GLU X 45 19.519 9.446 20.511 1.00 0.00 H ATOM 2156 HG2 GLU X 45 18.227 9.041 22.588 1.00 0.00 H ATOM 2157 HG3 GLU X 45 18.109 7.313 22.177 1.00 0.00 H ATOM 2158 H GLU X 45 17.264 6.716 20.092 1.00 0.00 H ATOM 2159 N GLU X 46 17.787 10.633 18.162 1.00 43.31 N ATOM 2160 CA GLU X 46 18.131 11.177 16.841 1.00 43.22 C ATOM 2161 C GLU X 46 19.562 10.815 16.454 1.00 43.28 C ATOM 2162 O GLU X 46 20.468 10.921 17.280 1.00 43.79 O ATOM 2163 CB GLU X 46 17.952 12.695 16.810 1.00 43.09 C ATOM 2164 CG GLU X 46 18.139 13.315 15.440 1.00 41.80 C ATOM 2165 CD GLU X 46 18.114 14.834 15.492 1.00 42.56 C ATOM 2166 OE1 GLU X 46 17.616 15.389 16.499 1.00 42.10 O ATOM 2167 OE2 GLU X 46 18.607 15.465 14.523 1.00 41.46 O ATOM 2168 HA GLU X 46 17.451 10.730 16.116 1.00 0.00 H ATOM 2169 HB2 GLU X 46 16.945 12.928 17.156 1.00 0.00 H ATOM 2170 HB3 GLU X 46 18.680 13.139 17.489 1.00 0.00 H ATOM 2171 HG2 GLU X 46 19.099 12.993 15.036 1.00 0.00 H ATOM 2172 HG3 GLU X 46 17.337 12.972 14.786 1.00 0.00 H ATOM 2173 H GLU X 46 17.472 11.274 18.918 1.00 0.00 H ATOM 2174 N ILE X 47 19.762 10.379 15.209 1.00 43.01 N ATOM 2175 CA ILE X 47 21.116 10.129 14.666 1.00 42.77 C ATOM 2176 C ILE X 47 21.689 11.365 13.959 1.00 43.21 C ATOM 2177 O ILE X 47 21.093 11.883 13.001 1.00 42.48 O ATOM 2178 CB ILE X 47 21.132 8.960 13.664 1.00 42.92 C ATOM 2179 CG1 ILE X 47 20.543 7.689 14.297 1.00 42.41 C ATOM 2180 CG2 ILE X 47 22.569 8.723 13.146 1.00 43.48 C ATOM 2181 CD1 ILE X 47 20.305 6.525 13.309 1.00 41.74 C ATOM 2182 HA ILE X 47 21.732 9.880 15.530 1.00 0.00 H ATOM 2183 HB ILE X 47 20.504 9.219 12.812 1.00 0.00 H ATOM 2184 HG12 ILE X 47 21.231 7.344 15.069 1.00 0.00 H ATOM 2185 HG13 ILE X 47 19.587 7.948 14.753 1.00 0.00 H ATOM 2186 HD11 ILE X 47 19.607 6.844 12.535 1.00 0.00 H ATOM 2187 HD12 ILE X 47 21.252 6.239 12.851 1.00 0.00 H ATOM 2188 HD13 ILE X 47 19.888 5.673 13.847 1.00 0.00 H ATOM 2189 HG21 ILE X 47 22.928 9.625 12.650 1.00 0.00 H ATOM 2190 HG22 ILE X 47 23.222 8.484 13.986 1.00 0.00 H ATOM 2191 HG23 ILE X 47 22.567 7.894 12.438 1.00 0.00 H ATOM 2192 H ILE X 47 18.937 10.209 14.599 1.00 0.00 H ATOM 2193 N LYS X 48 22.871 11.786 14.410 1.00 43.88 N ATOM 2194 CA LYS X 48 23.571 12.980 13.911 1.00 44.43 C ATOM 2195 C LYS X 48 24.936 12.661 13.283 1.00 44.59 C ATOM 2196 O LYS X 48 25.456 13.463 12.488 1.00 45.34 O ATOM 2197 CB LYS X 48 23.783 13.969 15.063 1.00 44.62 C ATOM 2198 CG LYS X 48 22.563 14.822 15.381 1.00 45.44 C ATOM 2199 CD LYS X 48 22.725 16.231 14.825 1.00 46.17 C ATOM 2200 HA LYS X 48 22.941 13.408 13.131 1.00 0.00 H ATOM 2201 HB2 LYS X 48 24.048 13.403 15.956 1.00 0.00 H ATOM 2202 HB3 LYS X 48 24.606 14.633 14.798 1.00 0.00 H ATOM 2203 HG2 LYS X 48 21.680 14.362 14.937 1.00 0.00 H ATOM 2204 HG3 LYS X 48 22.438 14.877 16.462 1.00 0.00 H ATOM 2205 HD2 LYS X 48 23.605 16.697 15.270 1.00 0.00 H ATOM 2206 HD3 LYS X 48 22.846 16.181 13.743 1.00 0.00 H ATOM 2207 H LYS X 48 23.328 11.234 15.164 1.00 0.00 H ATOM 2208 N GLU X 49 25.505 11.515 13.670 1.00 43.80 N ATOM 2209 CA GLU X 49 26.839 11.052 13.287 1.00 43.84 C ATOM 2210 C GLU X 49 26.836 9.843 12.349 1.00 43.78 C ATOM 2211 O GLU X 49 26.045 8.902 12.534 1.00 43.04 O ATOM 2212 CB GLU X 49 27.615 10.650 14.542 1.00 44.23 C ATOM 2213 CG GLU X 49 28.102 11.823 15.395 1.00 46.06 C ATOM 2214 CD GLU X 49 29.098 12.710 14.674 1.00 49.68 C ATOM 2215 OE1 GLU X 49 30.159 12.196 14.238 1.00 52.09 O ATOM 2216 OE2 GLU X 49 28.834 13.932 14.568 1.00 49.65 O ATOM 2217 HA GLU X 49 27.299 11.885 12.756 1.00 0.00 H ATOM 2218 HB2 GLU X 49 26.966 10.028 15.158 1.00 0.00 H ATOM 2219 HB3 GLU X 49 28.485 10.070 14.233 1.00 0.00 H ATOM 2220 HG2 GLU X 49 27.240 12.427 15.678 1.00 0.00 H ATOM 2221 HG3 GLU X 49 28.577 11.426 16.292 1.00 0.00 H ATOM 2222 H GLU X 49 24.951 10.899 14.298 1.00 0.00 H ATOM 2223 N GLN X 50 27.752 9.844 11.376 1.00 43.14 N ATOM 2224 CA GLN X 50 27.844 8.732 10.417 1.00 43.12 C ATOM 2225 C GLN X 50 28.149 7.427 11.160 1.00 42.63 C ATOM 2226 O GLN X 50 27.626 6.372 10.820 1.00 42.20 O ATOM 2227 CB GLN X 50 28.901 9.001 9.331 1.00 43.68 C ATOM 2228 CG GLN X 50 28.945 7.962 8.187 1.00 45.43 C ATOM 2229 CD GLN X 50 27.744 8.002 7.248 1.00 48.33 C ATOM 2230 OE1 GLN X 50 27.177 9.072 6.966 1.00 48.45 O ATOM 2231 NE2 GLN X 50 27.342 6.824 6.752 1.00 49.59 N ATOM 2232 HA GLN X 50 26.882 8.640 9.913 1.00 0.00 H ATOM 2233 HB2 GLN X 50 28.695 9.977 8.893 1.00 0.00 H ATOM 2234 HB3 GLN X 50 29.880 9.019 9.809 1.00 0.00 H ATOM 2235 HG2 GLN X 50 29.844 8.142 7.598 1.00 0.00 H ATOM 2236 HG3 GLN X 50 28.997 6.968 8.632 1.00 0.00 H ATOM 2237 HE22 GLN X 50 27.844 5.951 7.013 1.00 0.00 H ATOM 2238 HE21 GLN X 50 26.528 6.782 6.106 1.00 0.00 H ATOM 2239 H GLN X 50 28.411 10.644 11.295 1.00 0.00 H ATOM 2240 N GLU X 51 29.013 7.533 12.187 1.00 41.53 N ATOM 2241 CA GLU X 51 29.343 6.392 13.036 1.00 41.16 C ATOM 2242 C GLU X 51 28.120 5.646 13.532 1.00 40.54 C ATOM 2243 O GLU X 51 28.117 4.409 13.529 1.00 41.00 O ATOM 2244 CB GLU X 51 30.183 6.834 14.248 1.00 41.60 C ATOM 2245 HA GLU X 51 29.918 5.712 12.407 1.00 0.00 H ATOM 2246 HB2 GLU X 51 31.109 7.292 13.899 1.00 0.00 H ATOM 2247 HB3 GLU X 51 29.618 7.557 14.836 1.00 0.00 H ATOM 2248 H GLU X 51 29.458 8.453 12.381 1.00 0.00 H ATOM 2249 N VAL X 52 27.111 6.388 13.985 1.00 39.88 N ATOM 2250 CA VAL X 52 25.911 5.799 14.604 1.00 39.55 C ATOM 2251 C VAL X 52 25.007 5.083 13.605 1.00 39.40 C ATOM 2252 O VAL X 52 24.503 3.988 13.899 1.00 38.75 O ATOM 2253 CB VAL X 52 25.105 6.843 15.427 1.00 39.39 C ATOM 2254 CG1 VAL X 52 23.900 6.214 16.099 1.00 39.37 C ATOM 2255 CG2 VAL X 52 25.996 7.498 16.470 1.00 39.47 C ATOM 2256 HA VAL X 52 26.284 5.040 15.292 1.00 0.00 H ATOM 2257 HB VAL X 52 24.746 7.602 14.732 1.00 0.00 H ATOM 2258 HG11 VAL X 52 23.242 5.791 15.340 1.00 0.00 H ATOM 2259 HG12 VAL X 52 24.232 5.425 16.774 1.00 0.00 H ATOM 2260 HG13 VAL X 52 23.362 6.975 16.664 1.00 0.00 H ATOM 2261 HG21 VAL X 52 26.384 6.735 17.145 1.00 0.00 H ATOM 2262 HG22 VAL X 52 26.826 8.001 15.973 1.00 0.00 H ATOM 2263 HG23 VAL X 52 25.415 8.226 17.037 1.00 0.00 H ATOM 2264 H VAL X 52 27.173 7.423 13.898 1.00 0.00 H ATOM 2265 N VAL X 53 24.789 5.675 12.426 1.00 39.38 N ATOM 2266 CA VAL X 53 24.029 4.951 11.411 1.00 39.15 C ATOM 2267 C VAL X 53 24.855 3.778 10.852 1.00 39.60 C ATOM 2268 O VAL X 53 24.297 2.737 10.527 1.00 39.53 O ATOM 2269 CB VAL X 53 23.458 5.858 10.295 1.00 39.84 C ATOM 2270 CG1 VAL X 53 24.530 6.274 9.302 1.00 39.93 C ATOM 2271 CG2 VAL X 53 22.244 5.195 9.600 1.00 39.52 C ATOM 2272 HA VAL X 53 23.150 4.542 11.908 1.00 0.00 H ATOM 2273 HB VAL X 53 23.099 6.773 10.766 1.00 0.00 H ATOM 2274 HG11 VAL X 53 25.313 6.824 9.824 1.00 0.00 H ATOM 2275 HG12 VAL X 53 24.957 5.386 8.837 1.00 0.00 H ATOM 2276 HG13 VAL X 53 24.087 6.910 8.536 1.00 0.00 H ATOM 2277 HG21 VAL X 53 22.553 4.249 9.155 1.00 0.00 H ATOM 2278 HG22 VAL X 53 21.460 5.013 10.336 1.00 0.00 H ATOM 2279 HG23 VAL X 53 21.866 5.858 8.821 1.00 0.00 H ATOM 2280 H VAL X 53 25.153 6.631 12.236 1.00 0.00 H ATOM 2281 N ASP X 54 26.175 3.936 10.746 1.00 39.85 N ATOM 2282 CA ASP X 54 27.033 2.788 10.397 1.00 40.50 C ATOM 2283 C ASP X 54 26.737 1.587 11.294 1.00 40.28 C ATOM 2284 O ASP X 54 26.525 0.486 10.797 1.00 41.30 O ATOM 2285 CB ASP X 54 28.515 3.118 10.476 1.00 40.76 C ATOM 2286 CG ASP X 54 28.951 4.104 9.411 1.00 41.57 C ATOM 2287 OD1 ASP X 54 28.242 4.263 8.386 1.00 44.00 O ATOM 2288 OD2 ASP X 54 30.011 4.720 9.619 1.00 41.68 O ATOM 2289 HA ASP X 54 26.797 2.541 9.362 1.00 0.00 H ATOM 2290 HB2 ASP X 54 28.726 3.546 11.456 1.00 0.00 H ATOM 2291 HB3 ASP X 54 29.085 2.197 10.354 1.00 0.00 H ATOM 2292 H ASP X 54 26.600 4.871 10.910 1.00 0.00 H ATOM 2293 N LYS X 55 26.699 1.834 12.601 1.00 39.52 N ATOM 2294 CA LYS X 55 26.491 0.798 13.612 1.00 38.97 C ATOM 2295 C LYS X 55 25.102 0.179 13.488 1.00 38.53 C ATOM 2296 O LYS X 55 24.970 -1.054 13.492 1.00 38.17 O ATOM 2297 CB LYS X 55 26.749 1.368 15.022 1.00 38.99 C ATOM 2298 CG LYS X 55 26.122 0.564 16.176 1.00 40.77 C ATOM 2299 HA LYS X 55 27.209 -0.005 13.443 1.00 0.00 H ATOM 2300 HB2 LYS X 55 27.827 1.403 15.181 1.00 0.00 H ATOM 2301 HB3 LYS X 55 26.345 2.380 15.057 1.00 0.00 H ATOM 2302 HG2 LYS X 55 25.040 0.529 16.047 1.00 0.00 H ATOM 2303 HG3 LYS X 55 26.523 -0.450 16.171 1.00 0.00 H ATOM 2304 H LYS X 55 26.824 2.816 12.920 1.00 0.00 H ATOM 2305 N VAL X 56 24.059 0.999 13.372 1.00 37.28 N ATOM 2306 CA VAL X 56 22.710 0.468 13.165 1.00 36.70 C ATOM 2307 C VAL X 56 22.641 -0.344 11.900 1.00 36.07 C ATOM 2308 O VAL X 56 22.085 -1.438 11.913 1.00 37.16 O ATOM 2309 CB VAL X 56 21.594 1.577 13.134 1.00 35.95 C ATOM 2310 CG1 VAL X 56 20.186 0.910 13.012 1.00 37.12 C ATOM 2311 CG2 VAL X 56 21.668 2.371 14.390 1.00 38.37 C ATOM 2312 HA VAL X 56 22.510 -0.166 14.029 1.00 0.00 H ATOM 2313 HB VAL X 56 21.749 2.230 12.275 1.00 0.00 H ATOM 2314 HG11 VAL X 56 20.140 0.327 12.092 1.00 0.00 H ATOM 2315 HG12 VAL X 56 20.020 0.255 13.868 1.00 0.00 H ATOM 2316 HG13 VAL X 56 19.419 1.684 12.991 1.00 0.00 H ATOM 2317 HG21 VAL X 56 21.510 1.713 15.244 1.00 0.00 H ATOM 2318 HG22 VAL X 56 22.650 2.838 14.466 1.00 0.00 H ATOM 2319 HG23 VAL X 56 20.898 3.142 14.377 1.00 0.00 H ATOM 2320 H VAL X 56 24.204 2.027 13.429 1.00 0.00 H ATOM 2321 N MET X 57 23.216 0.152 10.803 1.00 35.82 N ATOM 2322 CA MET X 57 23.213 -0.644 9.558 1.00 35.70 C ATOM 2323 C MET X 57 23.979 -1.946 9.744 1.00 36.02 C ATOM 2324 O MET X 57 23.588 -2.985 9.201 1.00 36.50 O ATOM 2325 CB MET X 57 23.782 0.138 8.352 1.00 35.44 C ATOM 2326 CG MET X 57 23.642 -0.605 6.993 1.00 35.56 C ATOM 2327 SD MET X 57 21.904 -0.956 6.509 1.00 39.74 S ATOM 2328 CE MET X 57 21.501 0.604 5.735 1.00 35.90 C ATOM 2329 HA MET X 57 22.170 -0.870 9.338 1.00 0.00 H ATOM 2330 HB2 MET X 57 23.253 1.088 8.279 1.00 0.00 H ATOM 2331 HB3 MET X 57 24.840 0.325 8.533 1.00 0.00 H ATOM 2332 HG2 MET X 57 24.177 -1.552 7.063 1.00 0.00 H ATOM 2333 HG3 MET X 57 24.097 0.011 6.217 1.00 0.00 H ATOM 2334 HE1 MET X 57 21.611 1.408 6.462 1.00 0.00 H ATOM 2335 HE2 MET X 57 22.175 0.777 4.896 1.00 0.00 H ATOM 2336 HE3 MET X 57 20.472 0.575 5.376 1.00 0.00 H ATOM 2337 H MET X 57 23.663 1.091 10.824 1.00 0.00 H ATOM 2338 N GLU X 58 25.064 -1.916 10.515 1.00 35.45 N ATOM 2339 CA GLU X 58 25.828 -3.160 10.739 1.00 35.66 C ATOM 2340 C GLU X 58 24.933 -4.204 11.395 1.00 36.05 C ATOM 2341 O GLU X 58 25.073 -5.390 11.113 1.00 37.73 O ATOM 2342 CB GLU X 58 27.049 -2.933 11.624 1.00 35.14 C ATOM 2343 CG GLU X 58 28.078 -4.142 11.676 1.00 36.24 C ATOM 2344 CD GLU X 58 27.766 -5.215 12.750 1.00 39.66 C ATOM 2345 OE1 GLU X 58 28.391 -6.294 12.711 1.00 39.03 O ATOM 2346 OE2 GLU X 58 26.946 -4.991 13.657 1.00 40.76 O ATOM 2347 HA GLU X 58 26.173 -3.507 9.765 1.00 0.00 H ATOM 2348 HB2 GLU X 58 27.577 -2.055 11.252 1.00 0.00 H ATOM 2349 HB3 GLU X 58 26.700 -2.742 12.639 1.00 0.00 H ATOM 2350 HG2 GLU X 58 28.080 -4.629 10.701 1.00 0.00 H ATOM 2351 HG3 GLU X 58 29.069 -3.736 11.880 1.00 0.00 H ATOM 2352 H GLU X 58 25.371 -1.025 10.955 1.00 0.00 H ATOM 2353 N THR X 59 24.109 -3.769 12.351 1.00 36.03 N ATOM 2354 CA THR X 59 23.238 -4.657 13.114 1.00 36.87 C ATOM 2355 C THR X 59 22.185 -5.252 12.181 1.00 36.93 C ATOM 2356 O THR X 59 21.890 -6.462 12.205 1.00 37.00 O ATOM 2357 CB THR X 59 22.607 -3.882 14.301 1.00 37.11 C ATOM 2358 OG1 THR X 59 23.640 -3.483 15.211 1.00 38.77 O ATOM 2359 CG2 THR X 59 21.597 -4.744 15.074 1.00 39.01 C ATOM 2360 HA THR X 59 23.811 -5.482 13.537 1.00 0.00 H ATOM 2361 HB THR X 59 22.087 -3.017 13.889 1.00 0.00 H ATOM 2362 HG1 THR X 59 23.238 -2.988 15.969 1.00 0.00 H ATOM 2363 HG23 THR X 59 20.800 -5.060 14.400 1.00 0.00 H ATOM 2364 HG21 THR X 59 22.103 -5.621 15.477 1.00 0.00 H ATOM 2365 HG22 THR X 59 21.174 -4.160 15.891 1.00 0.00 H ATOM 2366 H THR X 59 24.087 -2.751 12.562 1.00 0.00 H ATOM 2367 N LEU X 60 21.629 -4.407 11.334 1.00 37.74 N ATOM 2368 CA LEU X 60 20.487 -4.786 10.510 1.00 38.38 C ATOM 2369 C LEU X 60 20.869 -5.546 9.271 1.00 39.55 C ATOM 2370 O LEU X 60 20.041 -6.278 8.718 1.00 38.79 O ATOM 2371 CB LEU X 60 19.757 -3.530 10.025 1.00 38.08 C ATOM 2372 CG LEU X 60 19.146 -2.647 11.094 1.00 39.18 C ATOM 2373 CD1 LEU X 60 18.227 -1.612 10.382 1.00 35.41 C ATOM 2374 CD2 LEU X 60 18.370 -3.545 12.025 1.00 41.29 C ATOM 2375 HA LEU X 60 19.868 -5.420 11.146 1.00 0.00 H ATOM 2376 HB2 LEU X 60 20.472 -2.927 9.466 1.00 0.00 H ATOM 2377 HB3 LEU X 60 18.954 -3.849 9.360 1.00 0.00 H ATOM 2378 HG LEU X 60 19.891 -2.102 11.674 1.00 0.00 H ATOM 2379 HD21 LEU X 60 17.592 -4.063 11.464 1.00 0.00 H ATOM 2380 HD22 LEU X 60 19.046 -4.275 12.470 1.00 0.00 H ATOM 2381 HD23 LEU X 60 17.914 -2.944 12.811 1.00 0.00 H ATOM 2382 HD11 LEU X 60 18.822 -1.015 9.690 1.00 0.00 H ATOM 2383 HD12 LEU X 60 17.447 -2.138 9.832 1.00 0.00 H ATOM 2384 HD13 LEU X 60 17.771 -0.960 11.127 1.00 0.00 H ATOM 2385 H LEU X 60 22.015 -3.445 11.252 1.00 0.00 H ATOM 2386 N ASP X 61 22.101 -5.351 8.808 1.00 39.14 N ATOM 2387 CA ASP X 61 22.477 -5.835 7.468 1.00 40.43 C ATOM 2388 C ASP X 61 22.979 -7.278 7.462 1.00 40.55 C ATOM 2389 O ASP X 61 24.170 -7.503 7.531 1.00 42.34 O ATOM 2390 CB ASP X 61 23.489 -4.868 6.797 1.00 40.03 C ATOM 2391 CG ASP X 61 23.965 -5.349 5.425 1.00 40.50 C ATOM 2392 OD1 ASP X 61 23.234 -6.110 4.768 1.00 38.00 O ATOM 2393 OD2 ASP X 61 25.094 -4.998 4.994 1.00 39.53 O ATOM 2394 HA ASP X 61 21.564 -5.844 6.872 1.00 0.00 H ATOM 2395 HB2 ASP X 61 23.012 -3.896 6.677 1.00 0.00 H ATOM 2396 HB3 ASP X 61 24.357 -4.767 7.449 1.00 0.00 H ATOM 2397 H ASP X 61 22.802 -4.855 9.395 1.00 0.00 H ATOM 2398 N SER X 62 22.083 -8.238 7.308 1.00 39.94 N ATOM 2399 CA SER X 62 22.440 -9.662 7.422 1.00 40.04 C ATOM 2400 C SER X 62 23.143 -10.273 6.201 1.00 39.96 C ATOM 2401 O SER X 62 23.805 -11.310 6.317 1.00 40.61 O ATOM 2402 CB SER X 62 21.200 -10.486 7.805 1.00 39.55 C ATOM 2403 OG SER X 62 20.664 -10.064 9.054 1.00 42.66 O ATOM 2404 HA SER X 62 23.190 -9.704 8.212 1.00 0.00 H ATOM 2405 HB2 SER X 62 21.480 -11.537 7.875 1.00 0.00 H ATOM 2406 HB3 SER X 62 20.440 -10.364 7.033 1.00 0.00 H ATOM 2407 HG SER X 62 19.869 -10.612 9.273 1.00 0.00 H ATOM 2408 H SER X 62 21.097 -7.980 7.100 1.00 0.00 H ATOM 2409 N ASP X 63 23.024 -9.666 5.024 1.00 39.81 N ATOM 2410 CA ASP X 63 23.702 -10.212 3.857 1.00 40.49 C ATOM 2411 C ASP X 63 24.888 -9.381 3.378 1.00 41.64 C ATOM 2412 O ASP X 63 25.396 -9.574 2.267 1.00 43.25 O ATOM 2413 CB ASP X 63 22.721 -10.496 2.711 1.00 40.95 C ATOM 2414 CG ASP X 63 22.004 -9.258 2.229 1.00 40.70 C ATOM 2415 OD1 ASP X 63 22.291 -8.153 2.717 1.00 37.23 O ATOM 2416 OD2 ASP X 63 21.136 -9.398 1.348 1.00 44.24 O ATOM 2417 HA ASP X 63 24.124 -11.160 4.191 1.00 0.00 H ATOM 2418 HB2 ASP X 63 23.276 -10.924 1.876 1.00 0.00 H ATOM 2419 HB3 ASP X 63 21.979 -11.215 3.059 1.00 0.00 H ATOM 2420 H ASP X 63 22.449 -8.804 4.937 1.00 0.00 H ATOM 2421 N GLY X 64 25.352 -8.464 4.218 1.00 41.33 N ATOM 2422 CA GLY X 64 26.575 -7.737 3.915 1.00 40.68 C ATOM 2423 C GLY X 64 26.600 -6.848 2.674 1.00 40.77 C ATOM 2424 O GLY X 64 27.678 -6.548 2.161 1.00 39.69 O ATOM 2425 HA3 GLY X 64 27.369 -8.475 3.800 1.00 0.00 H ATOM 2426 HA2 GLY X 64 26.793 -7.101 4.773 1.00 0.00 H ATOM 2427 H GLY X 64 24.837 -8.264 5.099 1.00 0.00 H ATOM 2428 N ASP X 65 25.440 -6.411 2.182 1.00 40.08 N ATOM 2429 CA ASP X 65 25.430 -5.524 0.994 1.00 40.04 C ATOM 2430 C ASP X 65 25.424 -4.033 1.316 1.00 39.14 C ATOM 2431 O ASP X 65 25.309 -3.183 0.424 1.00 40.42 O ATOM 2432 CB ASP X 65 24.281 -5.873 0.047 1.00 40.08 C ATOM 2433 CG ASP X 65 22.917 -5.514 0.610 1.00 39.50 C ATOM 2434 OD1 ASP X 65 22.778 -5.242 1.834 1.00 41.24 O ATOM 2435 OD2 ASP X 65 21.957 -5.535 -0.183 1.00 38.72 O ATOM 2436 HA ASP X 65 26.380 -5.716 0.495 1.00 0.00 H ATOM 2437 HB2 ASP X 65 24.425 -5.331 -0.888 1.00 0.00 H ATOM 2438 HB3 ASP X 65 24.305 -6.945 -0.148 1.00 0.00 H ATOM 2439 H ASP X 65 24.545 -6.692 2.631 1.00 0.00 H ATOM 2440 N GLY X 66 25.525 -3.724 2.599 1.00 39.23 N ATOM 2441 CA GLY X 66 25.606 -2.350 3.073 1.00 37.73 C ATOM 2442 C GLY X 66 24.241 -1.674 3.141 1.00 38.04 C ATOM 2443 O GLY X 66 24.157 -0.487 3.454 1.00 37.39 O ATOM 2444 HA3 GLY X 66 26.244 -1.783 2.395 1.00 0.00 H ATOM 2445 HA2 GLY X 66 26.047 -2.349 4.070 1.00 0.00 H ATOM 2446 H GLY X 66 25.547 -4.494 3.297 1.00 0.00 H ATOM 2447 N GLU X 67 23.171 -2.421 2.858 1.00 37.48 N ATOM 2448 CA GLU X 67 21.815 -1.839 2.831 1.00 36.64 C ATOM 2449 C GLU X 67 20.849 -2.739 3.624 1.00 36.36 C ATOM 2450 O GLU X 67 21.168 -3.897 3.959 1.00 38.03 O ATOM 2451 CB GLU X 67 21.330 -1.674 1.392 1.00 35.44 C ATOM 2452 CG GLU X 67 22.291 -0.803 0.500 1.00 36.54 C ATOM 2453 CD GLU X 67 21.580 -0.060 -0.638 1.00 36.67 C ATOM 2454 OE1 GLU X 67 20.366 0.161 -0.529 1.00 38.21 O ATOM 2455 OE2 GLU X 67 22.263 0.354 -1.619 1.00 36.21 O ATOM 2456 HA GLU X 67 21.844 -0.853 3.294 1.00 0.00 H ATOM 2457 HB2 GLU X 67 21.243 -2.663 0.942 1.00 0.00 H ATOM 2458 HB3 GLU X 67 20.350 -1.197 1.411 1.00 0.00 H ATOM 2459 HG2 GLU X 67 22.779 -0.067 1.139 1.00 0.00 H ATOM 2460 HG3 GLU X 67 23.044 -1.460 0.064 1.00 0.00 H ATOM 2461 H GLU X 67 23.296 -3.433 2.653 1.00 0.00 H ATOM 2462 N CYS X 68 19.679 -2.182 3.903 1.00 36.76 N ATOM 2463 CA CYS X 68 18.624 -2.875 4.667 1.00 36.14 C ATOM 2464 C CYS X 68 17.469 -3.160 3.708 1.00 36.40 C ATOM 2465 O CYS X 68 16.760 -2.210 3.230 1.00 35.15 O ATOM 2466 CB CYS X 68 18.184 -1.974 5.810 1.00 35.85 C ATOM 2467 SG CYS X 68 16.877 -2.723 6.805 1.00 37.61 S ATOM 2468 HA CYS X 68 18.978 -3.815 5.090 1.00 0.00 H ATOM 2469 HB2 CYS X 68 17.816 -1.035 5.396 1.00 0.00 H ATOM 2470 HB3 CYS X 68 19.043 -1.775 6.451 1.00 0.00 H ATOM 2471 HG CYS X 68 15.779 -2.972 6.007 1.00 0.00 H ATOM 2472 H CYS X 68 19.497 -1.214 3.569 1.00 0.00 H ATOM 2473 N ASP X 69 17.307 -4.431 3.354 1.00 36.40 N ATOM 2474 CA ASP X 69 16.191 -4.834 2.469 1.00 36.43 C ATOM 2475 C ASP X 69 14.897 -5.008 3.281 1.00 37.32 C ATOM 2476 O ASP X 69 14.870 -4.708 4.482 1.00 35.17 O ATOM 2477 CB ASP X 69 16.549 -6.047 1.577 1.00 37.00 C ATOM 2478 CG ASP X 69 16.694 -7.334 2.338 1.00 39.54 C ATOM 2479 OD1 ASP X 69 16.323 -7.390 3.542 1.00 39.66 O ATOM 2480 OD2 ASP X 69 17.174 -8.305 1.696 1.00 39.93 O ATOM 2481 HA ASP X 69 16.006 -4.028 1.759 1.00 0.00 H ATOM 2482 HB2 ASP X 69 15.761 -6.173 0.834 1.00 0.00 H ATOM 2483 HB3 ASP X 69 17.492 -5.837 1.072 1.00 0.00 H ATOM 2484 H ASP X 69 17.972 -5.151 3.703 1.00 0.00 H ATOM 2485 N PHE X 70 13.824 -5.473 2.639 1.00 36.14 N ATOM 2486 CA PHE X 70 12.543 -5.480 3.327 1.00 35.88 C ATOM 2487 C PHE X 70 12.577 -6.517 4.477 1.00 36.56 C ATOM 2488 O PHE X 70 12.115 -6.225 5.564 1.00 37.32 O ATOM 2489 CB PHE X 70 11.433 -5.829 2.356 1.00 36.09 C ATOM 2490 CG PHE X 70 10.069 -5.666 2.939 1.00 38.60 C ATOM 2491 CD1 PHE X 70 9.439 -4.424 2.907 1.00 39.81 C ATOM 2492 CD2 PHE X 70 9.438 -6.739 3.572 1.00 37.94 C ATOM 2493 CE1 PHE X 70 8.175 -4.258 3.480 1.00 43.07 C ATOM 2494 CE2 PHE X 70 8.162 -6.587 4.145 1.00 39.44 C ATOM 2495 CZ PHE X 70 7.532 -5.347 4.075 1.00 40.32 C ATOM 2496 HA PHE X 70 12.354 -4.488 3.738 1.00 0.00 H ATOM 2497 HB2 PHE X 70 11.518 -5.179 1.485 1.00 0.00 H ATOM 2498 HB3 PHE X 70 11.556 -6.867 2.047 1.00 0.00 H ATOM 2499 HD2 PHE X 70 9.940 -7.705 3.623 1.00 0.00 H ATOM 2500 HE2 PHE X 70 7.673 -7.428 4.637 1.00 0.00 H ATOM 2501 HZ PHE X 70 6.530 -5.225 4.487 1.00 0.00 H ATOM 2502 HE1 PHE X 70 7.692 -3.281 3.463 1.00 0.00 H ATOM 2503 HD1 PHE X 70 9.934 -3.577 2.433 1.00 0.00 H ATOM 2504 H PHE X 70 13.902 -5.824 1.663 1.00 0.00 H ATOM 2505 N GLN X 71 13.124 -7.701 4.218 1.00 37.54 N ATOM 2506 CA GLN X 71 13.312 -8.740 5.264 1.00 38.03 C ATOM 2507 C GLN X 71 14.103 -8.212 6.482 1.00 37.41 C ATOM 2508 O GLN X 71 13.736 -8.454 7.643 1.00 36.26 O ATOM 2509 CB GLN X 71 14.015 -9.998 4.689 1.00 39.14 C ATOM 2510 CG GLN X 71 14.167 -11.163 5.700 1.00 39.66 C ATOM 2511 CD GLN X 71 14.757 -12.453 5.092 1.00 43.72 C ATOM 2512 OE1 GLN X 71 15.630 -12.383 4.236 1.00 49.42 O ATOM 2513 HA GLN X 71 12.314 -9.014 5.605 1.00 0.00 H ATOM 2514 HB2 GLN X 71 13.433 -10.356 3.840 1.00 0.00 H ATOM 2515 HB3 GLN X 71 15.010 -9.708 4.350 1.00 0.00 H ATOM 2516 HG2 GLN X 71 14.822 -10.833 6.506 1.00 0.00 H ATOM 2517 HG3 GLN X 71 13.182 -11.395 6.106 1.00 0.00 H ATOM 2518 H GLN X 71 13.432 -7.908 3.246 1.00 0.00 H ATOM 2519 N GLU X 72 15.201 -7.532 6.195 1.00 35.41 N ATOM 2520 CA GLU X 72 16.030 -6.882 7.226 1.00 35.99 C ATOM 2521 C GLU X 72 15.280 -5.793 7.962 1.00 34.81 C ATOM 2522 O GLU X 72 15.413 -5.661 9.185 1.00 35.19 O ATOM 2523 CB GLU X 72 17.339 -6.358 6.623 1.00 34.75 C ATOM 2524 CG GLU X 72 18.219 -7.515 6.133 1.00 33.77 C ATOM 2525 CD GLU X 72 19.315 -7.078 5.210 1.00 37.02 C ATOM 2526 OE1 GLU X 72 19.210 -5.989 4.582 1.00 36.61 O ATOM 2527 OE2 GLU X 72 20.284 -7.858 5.078 1.00 36.15 O ATOM 2528 HA GLU X 72 16.280 -7.641 7.968 1.00 0.00 H ATOM 2529 HB2 GLU X 72 17.108 -5.704 5.782 1.00 0.00 H ATOM 2530 HB3 GLU X 72 17.881 -5.794 7.382 1.00 0.00 H ATOM 2531 HG2 GLU X 72 18.669 -7.999 7.000 1.00 0.00 H ATOM 2532 HG3 GLU X 72 17.588 -8.231 5.606 1.00 0.00 H ATOM 2533 H GLU X 72 15.492 -7.453 5.200 1.00 0.00 H ATOM 2534 N PHE X 73 14.440 -5.057 7.237 1.00 35.26 N ATOM 2535 CA PHE X 73 13.595 -4.057 7.869 1.00 34.72 C ATOM 2536 C PHE X 73 12.554 -4.701 8.768 1.00 35.83 C ATOM 2537 O PHE X 73 12.276 -4.175 9.837 1.00 36.89 O ATOM 2538 CB PHE X 73 12.855 -3.179 6.827 1.00 35.66 C ATOM 2539 CG PHE X 73 11.960 -2.114 7.449 1.00 35.62 C ATOM 2540 CD1 PHE X 73 12.543 -1.013 8.138 1.00 38.87 C ATOM 2541 CD2 PHE X 73 10.579 -2.168 7.327 1.00 38.15 C ATOM 2542 CE1 PHE X 73 11.752 -0.031 8.711 1.00 38.88 C ATOM 2543 CE2 PHE X 73 9.794 -1.184 7.868 1.00 37.05 C ATOM 2544 CZ PHE X 73 10.378 -0.104 8.565 1.00 38.65 C ATOM 2545 HA PHE X 73 14.263 -3.430 8.460 1.00 0.00 H ATOM 2546 HB2 PHE X 73 13.599 -2.683 6.204 1.00 0.00 H ATOM 2547 HB3 PHE X 73 12.238 -3.828 6.206 1.00 0.00 H ATOM 2548 HD2 PHE X 73 10.115 -3.000 6.797 1.00 0.00 H ATOM 2549 HE2 PHE X 73 8.711 -1.235 7.759 1.00 0.00 H ATOM 2550 HZ PHE X 73 9.744 0.675 8.989 1.00 0.00 H ATOM 2551 HE1 PHE X 73 12.206 0.788 9.269 1.00 0.00 H ATOM 2552 HD1 PHE X 73 13.628 -0.942 8.216 1.00 0.00 H ATOM 2553 H PHE X 73 14.388 -5.199 6.208 1.00 0.00 H ATOM 2554 N MET X 74 11.985 -5.820 8.351 1.00 36.30 N ATOM 2555 CA MET X 74 11.055 -6.551 9.228 1.00 36.71 C ATOM 2556 C MET X 74 11.742 -6.973 10.545 1.00 35.85 C ATOM 2557 O MET X 74 11.120 -6.931 11.598 1.00 36.54 O ATOM 2558 CB MET X 74 10.496 -7.790 8.546 1.00 37.93 C ATOM 2559 CG MET X 74 9.572 -7.502 7.384 1.00 41.78 C ATOM 2560 SD MET X 74 8.033 -6.743 7.949 1.00 48.15 S ATOM 2561 CE MET X 74 8.307 -5.000 8.012 1.00 47.65 C ATOM 2562 HA MET X 74 10.236 -5.867 9.449 1.00 0.00 H ATOM 2563 HB2 MET X 74 11.333 -8.383 8.177 1.00 0.00 H ATOM 2564 HB3 MET X 74 9.942 -8.367 9.287 1.00 0.00 H ATOM 2565 HG2 MET X 74 9.341 -8.436 6.872 1.00 0.00 H ATOM 2566 HG3 MET X 74 10.071 -6.823 6.692 1.00 0.00 H ATOM 2567 HE1 MET X 74 9.119 -4.786 8.706 1.00 0.00 H ATOM 2568 HE2 MET X 74 8.572 -4.639 7.018 1.00 0.00 H ATOM 2569 HE3 MET X 74 7.398 -4.503 8.350 1.00 0.00 H ATOM 2570 H MET X 74 12.195 -6.185 7.400 1.00 0.00 H ATOM 2571 N ALA X 75 13.007 -7.377 10.468 1.00 35.25 N ATOM 2572 CA ALA X 75 13.776 -7.747 11.677 1.00 36.19 C ATOM 2573 C ALA X 75 13.979 -6.515 12.571 1.00 36.20 C ATOM 2574 O ALA X 75 13.895 -6.584 13.813 1.00 36.32 O ATOM 2575 CB ALA X 75 15.098 -8.376 11.290 1.00 35.89 C ATOM 2576 HA ALA X 75 13.212 -8.486 12.246 1.00 0.00 H ATOM 2577 HB1 ALA X 75 14.913 -9.272 10.698 1.00 0.00 H ATOM 2578 HB2 ALA X 75 15.679 -7.665 10.703 1.00 0.00 H ATOM 2579 HB3 ALA X 75 15.650 -8.642 12.191 1.00 0.00 H ATOM 2580 H ALA X 75 13.466 -7.434 9.537 1.00 0.00 H ATOM 2581 N PHE X 76 14.240 -5.379 11.943 1.00 35.34 N ATOM 2582 CA PHE X 76 14.335 -4.098 12.663 1.00 35.22 C ATOM 2583 C PHE X 76 13.023 -3.743 13.389 1.00 34.84 C ATOM 2584 O PHE X 76 13.026 -3.435 14.594 1.00 35.12 O ATOM 2585 CB PHE X 76 14.798 -3.002 11.689 1.00 34.36 C ATOM 2586 CG PHE X 76 14.990 -1.635 12.300 1.00 37.17 C ATOM 2587 CD1 PHE X 76 15.800 -1.436 13.407 1.00 38.64 C ATOM 2588 CD2 PHE X 76 14.395 -0.514 11.684 1.00 38.96 C ATOM 2589 CE1 PHE X 76 16.023 -0.149 13.904 1.00 39.41 C ATOM 2590 CE2 PHE X 76 14.617 0.784 12.185 1.00 38.62 C ATOM 2591 CZ PHE X 76 15.427 0.971 13.284 1.00 36.43 C ATOM 2592 HA PHE X 76 15.081 -4.187 13.453 1.00 0.00 H ATOM 2593 HB2 PHE X 76 15.749 -3.315 11.257 1.00 0.00 H ATOM 2594 HB3 PHE X 76 14.052 -2.916 10.899 1.00 0.00 H ATOM 2595 HD2 PHE X 76 13.757 -0.653 10.811 1.00 0.00 H ATOM 2596 HE2 PHE X 76 14.147 1.641 11.703 1.00 0.00 H ATOM 2597 HZ PHE X 76 15.606 1.974 13.671 1.00 0.00 H ATOM 2598 HE1 PHE X 76 16.661 -0.009 14.776 1.00 0.00 H ATOM 2599 HD1 PHE X 76 16.268 -2.291 13.895 1.00 0.00 H ATOM 2600 H PHE X 76 14.382 -5.392 10.913 1.00 0.00 H ATOM 2601 N VAL X 77 11.908 -3.833 12.670 1.00 35.25 N ATOM 2602 CA VAL X 77 10.588 -3.652 13.282 1.00 35.70 C ATOM 2603 C VAL X 77 10.349 -4.606 14.465 1.00 35.60 C ATOM 2604 O VAL X 77 9.871 -4.149 15.505 1.00 35.50 O ATOM 2605 CB VAL X 77 9.462 -3.775 12.259 1.00 37.25 C ATOM 2606 CG1 VAL X 77 8.063 -3.779 12.950 1.00 39.26 C ATOM 2607 CG2 VAL X 77 9.582 -2.612 11.281 1.00 36.43 C ATOM 2608 HA VAL X 77 10.579 -2.635 13.675 1.00 0.00 H ATOM 2609 HB VAL X 77 9.552 -4.723 11.728 1.00 0.00 H ATOM 2610 HG11 VAL X 77 8.001 -4.623 13.637 1.00 0.00 H ATOM 2611 HG12 VAL X 77 7.929 -2.849 13.502 1.00 0.00 H ATOM 2612 HG13 VAL X 77 7.285 -3.868 12.192 1.00 0.00 H ATOM 2613 HG21 VAL X 77 9.495 -1.671 11.825 1.00 0.00 H ATOM 2614 HG22 VAL X 77 10.550 -2.657 10.782 1.00 0.00 H ATOM 2615 HG23 VAL X 77 8.786 -2.679 10.539 1.00 0.00 H ATOM 2616 H VAL X 77 11.974 -4.036 11.652 1.00 0.00 H ATOM 2617 N ALA X 78 10.736 -5.873 14.321 1.00 35.90 N ATOM 2618 CA ALA X 78 10.595 -6.854 15.449 1.00 35.16 C ATOM 2619 C ALA X 78 11.423 -6.430 16.673 1.00 35.87 C ATOM 2620 O ALA X 78 10.938 -6.482 17.828 1.00 36.94 O ATOM 2621 CB ALA X 78 10.949 -8.299 14.969 1.00 36.29 C ATOM 2622 HA ALA X 78 9.552 -6.860 15.767 1.00 0.00 H ATOM 2623 HB1 ALA X 78 10.275 -8.588 14.163 1.00 0.00 H ATOM 2624 HB2 ALA X 78 11.978 -8.319 14.609 1.00 0.00 H ATOM 2625 HB3 ALA X 78 10.840 -8.994 15.802 1.00 0.00 H ATOM 2626 H ALA X 78 11.141 -6.186 13.416 1.00 0.00 H ATOM 2627 N MET X 79 12.641 -5.953 16.434 1.00 36.31 N ATOM 2628 CA MET X 79 13.501 -5.446 17.504 1.00 41.19 C ATOM 2629 C MET X 79 12.866 -4.245 18.236 1.00 37.64 C ATOM 2630 O MET X 79 12.869 -4.168 19.481 1.00 36.28 O ATOM 2631 CB MET X 79 14.853 -5.009 16.912 1.00 39.67 C ATOM 2632 CG MET X 79 15.898 -4.681 17.960 1.00 47.00 C ATOM 2633 SD MET X 79 17.479 -4.222 17.165 1.00 54.28 S ATOM 2634 CE MET X 79 17.232 -4.896 15.473 1.00 43.89 C ATOM 2635 HA MET X 79 13.637 -6.251 18.226 1.00 0.00 H ATOM 2636 HB2 MET X 79 15.233 -5.817 16.287 1.00 0.00 H ATOM 2637 HB3 MET X 79 14.690 -4.123 16.298 1.00 0.00 H ATOM 2638 HG2 MET X 79 16.055 -5.553 18.595 1.00 0.00 H ATOM 2639 HG3 MET X 79 15.547 -3.848 18.569 1.00 0.00 H ATOM 2640 HE1 MET X 79 17.071 -5.972 15.532 1.00 0.00 H ATOM 2641 HE2 MET X 79 16.362 -4.422 15.018 1.00 0.00 H ATOM 2642 HE3 MET X 79 18.116 -4.692 14.869 1.00 0.00 H ATOM 2643 H MET X 79 12.994 -5.940 15.456 1.00 0.00 H ATOM 2644 N ILE X 80 12.355 -3.295 17.458 1.00 36.60 N ATOM 2645 CA ILE X 80 11.775 -2.078 18.043 1.00 36.19 C ATOM 2646 C ILE X 80 10.557 -2.447 18.840 1.00 35.47 C ATOM 2647 O ILE X 80 10.381 -1.966 19.928 1.00 36.23 O ATOM 2648 CB ILE X 80 11.370 -1.063 16.950 1.00 37.14 C ATOM 2649 CG1 ILE X 80 12.632 -0.522 16.275 1.00 37.71 C ATOM 2650 CG2 ILE X 80 10.534 0.105 17.521 1.00 37.63 C ATOM 2651 CD1 ILE X 80 12.311 0.030 14.902 1.00 41.86 C ATOM 2652 HA ILE X 80 12.528 -1.615 18.681 1.00 0.00 H ATOM 2653 HB ILE X 80 10.745 -1.581 16.223 1.00 0.00 H ATOM 2654 HG12 ILE X 80 13.055 0.272 16.890 1.00 0.00 H ATOM 2655 HG13 ILE X 80 13.359 -1.328 16.176 1.00 0.00 H ATOM 2656 HD11 ILE X 80 11.892 -0.762 14.282 1.00 0.00 H ATOM 2657 HD12 ILE X 80 11.587 0.840 14.997 1.00 0.00 H ATOM 2658 HD13 ILE X 80 13.224 0.409 14.442 1.00 0.00 H ATOM 2659 HG21 ILE X 80 9.624 -0.289 17.973 1.00 0.00 H ATOM 2660 HG22 ILE X 80 11.117 0.633 18.275 1.00 0.00 H ATOM 2661 HG23 ILE X 80 10.273 0.792 16.715 1.00 0.00 H ATOM 2662 H ILE X 80 12.366 -3.415 16.425 1.00 0.00 H ATOM 2663 N THR X 81 9.686 -3.255 18.259 1.00 34.76 N ATOM 2664 CA THR X 81 8.438 -3.648 18.898 1.00 34.43 C ATOM 2665 C THR X 81 8.697 -4.402 20.198 1.00 34.88 C ATOM 2666 O THR X 81 8.020 -4.182 21.181 1.00 35.36 O ATOM 2667 CB THR X 81 7.580 -4.493 17.932 1.00 34.28 C ATOM 2668 OG1 THR X 81 7.322 -3.707 16.747 1.00 34.49 O ATOM 2669 CG2 THR X 81 6.227 -4.826 18.549 1.00 35.35 C ATOM 2670 HA THR X 81 7.885 -2.742 19.147 1.00 0.00 H ATOM 2671 HB THR X 81 8.119 -5.414 17.710 1.00 0.00 H ATOM 2672 HG1 THR X 81 8.181 -3.468 16.317 1.00 0.00 H ATOM 2673 HG23 THR X 81 6.377 -5.421 19.450 1.00 0.00 H ATOM 2674 HG21 THR X 81 5.708 -3.902 18.804 1.00 0.00 H ATOM 2675 HG22 THR X 81 5.632 -5.392 17.833 1.00 0.00 H ATOM 2676 H THR X 81 9.900 -3.623 17.310 1.00 0.00 H ATOM 2677 N THR X 82 9.661 -5.305 20.177 1.00 34.83 N ATOM 2678 CA THR X 82 10.043 -6.074 21.375 1.00 35.85 C ATOM 2679 C THR X 82 10.539 -5.154 22.453 1.00 35.80 C ATOM 2680 O THR X 82 10.185 -5.316 23.630 1.00 36.96 O ATOM 2681 CB THR X 82 11.134 -7.083 21.012 1.00 34.54 C ATOM 2682 OG1 THR X 82 10.576 -7.995 20.064 1.00 37.04 O ATOM 2683 CG2 THR X 82 11.664 -7.843 22.269 1.00 36.49 C ATOM 2684 HA THR X 82 9.166 -6.605 21.746 1.00 0.00 H ATOM 2685 HB THR X 82 11.991 -6.561 20.587 1.00 0.00 H ATOM 2686 HG1 THR X 82 10.284 -7.496 19.260 1.00 0.00 H ATOM 2687 HG23 THR X 82 12.084 -7.126 22.975 1.00 0.00 H ATOM 2688 HG21 THR X 82 10.841 -8.381 22.741 1.00 0.00 H ATOM 2689 HG22 THR X 82 12.436 -8.551 21.966 1.00 0.00 H ATOM 2690 H THR X 82 10.167 -5.479 19.285 1.00 0.00 H ATOM 2691 N ALA X 83 11.368 -4.190 22.070 1.00 36.80 N ATOM 2692 CA ALA X 83 11.947 -3.279 23.066 1.00 35.96 C ATOM 2693 C ALA X 83 10.889 -2.352 23.693 1.00 36.86 C ATOM 2694 O ALA X 83 10.896 -2.108 24.924 1.00 36.82 O ATOM 2695 CB ALA X 83 13.095 -2.489 22.447 1.00 37.21 C ATOM 2696 HA ALA X 83 12.343 -3.882 23.883 1.00 0.00 H ATOM 2697 HB1 ALA X 83 13.865 -3.179 22.102 1.00 0.00 H ATOM 2698 HB2 ALA X 83 12.721 -1.908 21.604 1.00 0.00 H ATOM 2699 HB3 ALA X 83 13.517 -1.817 23.195 1.00 0.00 H ATOM 2700 H ALA X 83 11.607 -4.080 21.064 1.00 0.00 H ATOM 2701 N CYS X 84 9.960 -1.881 22.868 1.00 36.84 N ATOM 2702 CA CYS X 84 8.807 -1.096 23.326 1.00 37.67 C ATOM 2703 C CYS X 84 7.875 -1.877 24.266 1.00 36.78 C ATOM 2704 O CYS X 84 7.518 -1.393 25.338 1.00 36.69 O ATOM 2705 CB CYS X 84 8.035 -0.611 22.116 1.00 37.76 C ATOM 2706 SG CYS X 84 8.926 0.767 21.292 1.00 45.23 S ATOM 2707 HA CYS X 84 9.191 -0.257 23.906 1.00 0.00 H ATOM 2708 HB2 CYS X 84 7.052 -0.263 22.433 1.00 0.00 H ATOM 2709 HB3 CYS X 84 7.918 -1.434 21.412 1.00 0.00 H ATOM 2710 HG CYS X 84 10.170 0.330 20.884 1.00 0.00 H ATOM 2711 H CYS X 84 10.054 -2.077 21.851 1.00 0.00 H ATOM 2712 N HIS X 85 7.520 -3.099 23.869 1.00 36.23 N ATOM 2713 CA HIS X 85 6.668 -3.979 24.676 1.00 36.83 C ATOM 2714 C HIS X 85 7.266 -4.154 26.056 1.00 37.45 C ATOM 2715 O HIS X 85 6.592 -4.019 27.103 1.00 36.84 O ATOM 2716 CB HIS X 85 6.558 -5.353 23.963 1.00 36.35 C ATOM 2717 CG HIS X 85 5.890 -6.421 24.769 1.00 36.70 C ATOM 2718 ND1 HIS X 85 6.455 -7.665 24.954 1.00 38.48 N ATOM 2719 CD2 HIS X 85 4.717 -6.436 25.451 1.00 37.54 C ATOM 2720 CE1 HIS X 85 5.652 -8.409 25.694 1.00 39.13 C ATOM 2721 NE2 HIS X 85 4.587 -7.690 26.007 1.00 42.45 N ATOM 2722 HA HIS X 85 5.676 -3.540 24.784 1.00 0.00 H ATOM 2723 HB2 HIS X 85 5.989 -5.215 23.044 1.00 0.00 H ATOM 2724 HB3 HIS X 85 7.565 -5.691 23.718 1.00 0.00 H ATOM 2725 HD2 HIS X 85 4.010 -5.611 25.542 1.00 0.00 H ATOM 2726 HE1 HIS X 85 5.836 -9.440 25.995 1.00 0.00 H ATOM 2727 H HIS X 85 7.861 -3.443 22.949 1.00 0.00 H ATOM 2728 N GLU X 86 8.560 -4.429 26.076 1.00 38.73 N ATOM 2729 CA GLU X 86 9.243 -4.663 27.353 1.00 40.50 C ATOM 2730 C GLU X 86 9.482 -3.428 28.212 1.00 40.91 C ATOM 2731 O GLU X 86 9.455 -3.519 29.431 1.00 40.14 O ATOM 2732 CB GLU X 86 10.527 -5.443 27.109 1.00 41.49 C ATOM 2733 CG GLU X 86 10.238 -6.779 26.401 1.00 45.25 C ATOM 2734 CD GLU X 86 11.473 -7.661 26.244 1.00 52.27 C ATOM 2735 OE1 GLU X 86 12.570 -7.143 25.890 1.00 54.80 O ATOM 2736 OE2 GLU X 86 11.328 -8.880 26.457 1.00 53.28 O ATOM 2737 HA GLU X 86 8.553 -5.254 27.955 1.00 0.00 H ATOM 2738 HB2 GLU X 86 11.193 -4.846 26.486 1.00 0.00 H ATOM 2739 HB3 GLU X 86 11.009 -5.644 28.066 1.00 0.00 H ATOM 2740 HG2 GLU X 86 9.495 -7.325 26.982 1.00 0.00 H ATOM 2741 HG3 GLU X 86 9.837 -6.566 25.410 1.00 0.00 H ATOM 2742 H GLU X 86 9.094 -4.479 25.185 1.00 0.00 H ATOM 2743 N PHE X 87 9.706 -2.282 27.579 1.00 41.62 N ATOM 2744 CA PHE X 87 9.858 -1.005 28.287 1.00 43.07 C ATOM 2745 C PHE X 87 8.670 -0.698 29.218 1.00 43.84 C ATOM 2746 O PHE X 87 8.859 -0.235 30.336 1.00 41.71 O ATOM 2747 CB PHE X 87 10.102 0.136 27.280 1.00 43.94 C ATOM 2748 CG PHE X 87 10.695 1.379 27.894 1.00 46.49 C ATOM 2749 CD1 PHE X 87 11.780 1.297 28.777 1.00 47.84 C ATOM 2750 CD2 PHE X 87 10.174 2.634 27.591 1.00 48.61 C ATOM 2751 CE1 PHE X 87 12.328 2.434 29.348 1.00 49.12 C ATOM 2752 CE2 PHE X 87 10.721 3.789 28.171 1.00 47.72 C ATOM 2753 CZ PHE X 87 11.799 3.687 29.041 1.00 48.15 C ATOM 2754 HA PHE X 87 10.731 -1.090 28.934 1.00 0.00 H ATOM 2755 HB2 PHE X 87 10.784 -0.226 26.510 1.00 0.00 H ATOM 2756 HB3 PHE X 87 9.148 0.400 26.823 1.00 0.00 H ATOM 2757 HD2 PHE X 87 9.336 2.720 26.899 1.00 0.00 H ATOM 2758 HE2 PHE X 87 10.300 4.767 27.939 1.00 0.00 H ATOM 2759 HZ PHE X 87 12.231 4.585 29.483 1.00 0.00 H ATOM 2760 HE1 PHE X 87 13.170 2.349 30.035 1.00 0.00 H ATOM 2761 HD1 PHE X 87 12.200 0.321 29.019 1.00 0.00 H ATOM 2762 H PHE X 87 9.776 -2.290 26.541 1.00 0.00 H ATOM 2763 N PHE X 88 7.462 -1.045 28.781 1.00 45.20 N ATOM 2764 CA PHE X 88 6.213 -0.670 29.478 1.00 47.49 C ATOM 2765 C PHE X 88 5.670 -1.683 30.456 1.00 47.45 C ATOM 2766 O PHE X 88 4.648 -1.443 31.097 1.00 48.47 O ATOM 2767 CB PHE X 88 5.153 -0.344 28.434 1.00 50.10 C ATOM 2768 CG PHE X 88 5.478 0.875 27.667 1.00 53.39 C ATOM 2769 CD1 PHE X 88 6.579 0.898 26.816 1.00 54.49 C ATOM 2770 CD2 PHE X 88 4.755 2.022 27.859 1.00 56.64 C ATOM 2771 CE1 PHE X 88 6.925 2.039 26.150 1.00 58.13 C ATOM 2772 CE2 PHE X 88 5.095 3.175 27.194 1.00 58.39 C ATOM 2773 CZ PHE X 88 6.177 3.185 26.340 1.00 57.36 C ATOM 2774 HA PHE X 88 6.469 0.192 30.095 1.00 0.00 H ATOM 2775 HB2 PHE X 88 5.072 -1.183 27.742 1.00 0.00 H ATOM 2776 HB3 PHE X 88 4.198 -0.197 28.938 1.00 0.00 H ATOM 2777 HD2 PHE X 88 3.906 2.020 28.543 1.00 0.00 H ATOM 2778 HE2 PHE X 88 4.509 4.082 27.342 1.00 0.00 H ATOM 2779 HZ PHE X 88 6.444 4.101 25.812 1.00 0.00 H ATOM 2780 HE1 PHE X 88 7.782 2.045 25.476 1.00 0.00 H ATOM 2781 HD1 PHE X 88 7.173 -0.006 26.679 1.00 0.00 H ATOM 2782 H PHE X 88 7.393 -1.606 27.908 1.00 0.00 H ATOM 2783 N GLU X 89 6.363 -2.806 30.589 1.00 46.63 N ATOM 2784 CA GLU X 89 5.921 -3.880 31.456 1.00 46.21 C ATOM 2785 C GLU X 89 6.977 -4.220 32.474 1.00 46.42 C ATOM 2786 O GLU X 89 8.125 -3.790 32.362 1.00 45.65 O ATOM 2787 CB GLU X 89 5.619 -5.133 30.630 1.00 46.36 C ATOM 2788 CG GLU X 89 4.363 -5.026 29.853 1.00 44.80 C ATOM 2789 CD GLU X 89 4.125 -6.259 28.983 1.00 44.63 C ATOM 2790 OE1 GLU X 89 3.189 -6.196 28.177 1.00 43.98 O ATOM 2791 OE2 GLU X 89 4.877 -7.261 29.088 1.00 41.47 O ATOM 2792 HA GLU X 89 5.021 -3.543 31.970 1.00 0.00 H ATOM 2793 HB2 GLU X 89 6.443 -5.299 29.937 1.00 0.00 H ATOM 2794 HB3 GLU X 89 5.538 -5.984 31.306 1.00 0.00 H ATOM 2795 HG2 GLU X 89 3.528 -4.916 30.545 1.00 0.00 H ATOM 2796 HG3 GLU X 89 4.419 -4.147 29.211 1.00 0.00 H ATOM 2797 H GLU X 89 7.249 -2.919 30.056 1.00 0.00 H ATOM 2798 N HIS X 90 6.565 -5.021 33.454 1.00 46.92 N ATOM 2799 CA HIS X 90 7.426 -5.476 34.537 1.00 47.41 C ATOM 2800 C HIS X 90 8.136 -6.784 34.204 1.00 48.10 C ATOM 2801 O HIS X 90 7.748 -7.488 33.274 1.00 49.27 O ATOM 2802 CB HIS X 90 6.596 -5.664 35.796 1.00 47.07 C ATOM 2803 CG HIS X 90 6.117 -4.383 36.400 1.00 46.30 C ATOM 2804 ND1 HIS X 90 4.979 -3.738 35.968 1.00 45.46 N ATOM 2805 CD2 HIS X 90 6.612 -3.635 37.415 1.00 45.69 C ATOM 2806 CE1 HIS X 90 4.799 -2.641 36.684 1.00 46.10 C ATOM 2807 NE2 HIS X 90 5.774 -2.558 37.571 1.00 45.77 N ATOM 2808 HA HIS X 90 8.191 -4.714 34.689 1.00 0.00 H ATOM 2809 HB2 HIS X 90 5.727 -6.273 35.547 1.00 0.00 H ATOM 2810 HB3 HIS X 90 7.205 -6.186 36.534 1.00 0.00 H ATOM 2811 HD2 HIS X 90 7.508 -3.848 37.999 1.00 0.00 H ATOM 2812 HE1 HIS X 90 3.985 -1.927 36.563 1.00 0.00 H ATOM 2813 H HIS X 90 5.575 -5.339 33.446 1.00 0.00 H TER 2814 HIS X 90 HETATM 2815 ZN ZN A 1 7.860 -3.098 -2.253 1.00 43.17 ZN HETATM 2816 CA CA A 2 16.955 3.115 -1.655 1.00 35.76 CA HETATM 2817 CA CA A 3 21.360 -6.141 3.385 1.00 35.63 CA HETATM 2818 ZN ZN A 4 3.098 -7.860 27.295 1.00 43.17 ZN HETATM 2819 CA CA A 5 -3.115 -16.955 26.697 1.00 35.76 CA HETATM 2820 CA CA A 6 6.141 -21.360 21.657 1.00 35.63 CA HETATM 2821 O HOH 7 13.766 -5.502 -0.342 1.00 33.53 O HETATM 2822 O HOH 8 19.264 2.348 -1.570 1.00 34.05 O HETATM 2823 O HOH 9 8.482 10.088 15.358 1.00 38.57 O HETATM 2824 O HOH 10 5.753 6.588 10.026 1.00 39.49 O HETATM 2825 O HOH 11 20.091 -6.155 1.477 1.00 35.12 O HETATM 2826 O HOH 12 14.549 -9.027 15.111 1.00 43.29 O HETATM 2827 O HOH 13 9.796 9.623 0.692 1.00 35.13 O HETATM 2828 O HOH 14 -3.427 0.135 13.088 1.00 39.09 O HETATM 2829 O HOH 15 6.080 11.113 11.096 1.00 40.71 O HETATM 2830 O HOH 16 17.696 -6.805 10.328 1.00 44.07 O HETATM 2831 O HOH 17 3.335 4.346 7.404 1.00 39.59 O HETATM 2832 O HOH 18 13.098 -2.405 26.493 1.00 39.66 O HETATM 2833 O HOH 19 14.997 9.360 16.155 1.00 38.16 O HETATM 2834 O HOH 20 20.331 10.968 5.302 1.00 38.17 O HETATM 2835 O HOH 21 24.300 2.148 2.509 1.00 38.29 O HETATM 2836 O HOH 22 19.352 -10.499 4.718 1.00 42.46 O HETATM 2837 O HOH 23 3.149 9.523 2.818 1.00 57.35 O HETATM 2838 O HOH 24 4.518 6.483 7.336 1.00 40.21 O HETATM 2839 O HOH 25 3.641 8.741 7.602 1.00 41.28 O HETATM 2840 O HOH 26 24.162 6.031 2.293 1.00 37.54 O HETATM 2841 O HOH 27 29.151 -1.918 14.496 1.00 42.46 O HETATM 2842 O HOH 28 13.436 -8.989 17.618 1.00 45.62 O HETATM 2843 O HOH 29 3.850 -3.439 26.851 1.00 45.74 O HETATM 2844 O HOH 30 14.719 -5.843 21.001 1.00 39.34 O HETATM 2845 O HOH 31 17.995 -9.469 9.665 1.00 42.07 O HETATM 2846 O HOH 32 13.724 -8.860 1.421 1.00 37.69 O HETATM 2847 O HOH 33 -9.552 -3.813 14.741 1.00 42.29 O HETATM 2848 O HOH 34 2.400 -1.614 32.161 1.00 30.51 O HETATM 2849 O HOH 35 24.361 -5.943 16.787 1.00 34.86 O HETATM 2850 O HOH 36 21.276 2.001 -3.370 1.00 35.58 O HETATM 2851 O HOH 37 6.593 11.637 13.850 1.00 42.48 O HETATM 2852 O HOH 38 13.989 8.527 23.468 1.00 57.00 O HETATM 2853 O HOH 39 3.883 1.573 0.080 1.00 48.79 O HETATM 2854 O HOH 40 17.147 9.786 1.599 1.00 46.15 O HETATM 2855 O HOH 41 12.573 -10.564 8.795 1.00 49.01 O HETATM 2856 O HOH 42 10.797 -10.569 4.703 1.00 41.68 O HETATM 2857 O HOH 43 13.418 -11.056 13.557 1.00 42.14 O HETATM 2858 O HOH 44 14.761 -8.233 19.882 1.00 46.35 O HETATM 2859 O HOH 45 0.634 4.684 7.021 1.00 48.84 O HETATM 2860 O HOH 46 27.954 -0.159 8.622 1.00 48.63 O HETATM 2861 O HOH 47 26.665 -2.872 15.128 1.00 50.36 O HETATM 2862 O HOH 48 11.010 0.188 31.779 1.00 44.45 O HETATM 2863 O HOH 49 -0.516 2.920 5.639 1.00 43.73 O HETATM 2864 O HOH 50 15.659 -6.239 -2.122 1.00 46.79 O HETATM 2865 O HOH 51 14.596 12.025 15.996 1.00 38.83 O HETATM 2866 O HOH 52 31.048 9.580 12.952 1.00 47.79 O HETATM 2867 O HOH 53 19.185 -7.433 -4.372 1.00 53.26 O HETATM 2868 O HOH 54 22.322 -1.483 16.594 1.00 48.61 O HETATM 2869 O HOH 55 8.470 13.538 12.591 1.00 47.43 O HETATM 2870 O HOH 56 30.231 -6.742 11.183 1.00 40.12 O HETATM 2871 O HOH 57 26.995 -4.388 6.789 1.00 41.90 O HETATM 2872 O HOH 58 20.738 -2.605 18.499 1.00 50.02 O HETATM 2873 O HOH 59 21.606 -8.138 -0.988 1.00 64.83 O HETATM 2874 O HOH 60 21.188 -3.315 -4.291 1.00 40.24 O HETATM 2875 O HOH 61 17.885 -10.466 2.700 1.00 50.67 O HETATM 2876 O HOH 62 3.762 6.454 3.412 1.00 47.01 O HETATM 2877 O HOH 63 7.009 -8.114 28.770 1.00 52.81 O HETATM 2878 O HOH 64 31.835 -4.966 12.725 1.00 41.19 O HETATM 2879 O HOH 65 -1.754 1.825 13.959 1.00 57.81 O HETATM 2880 O HOH 66 6.098 10.271 7.167 1.00 52.47 O HETATM 2881 O HOH 67 8.401 -9.475 24.566 1.00 43.25 O HETATM 2882 O HOH 68 13.888 -5.945 -4.535 1.00 58.70 O HETATM 2883 O HOH 69 24.456 8.849 5.718 1.00 44.90 O HETATM 2884 O HOH 70 15.989 0.186 -7.838 1.00 52.58 O HETATM 2885 O HOH 71 9.864 12.545 5.202 1.00 53.37 O HETATM 2886 O HOH 72 11.400 -6.758 -1.061 1.00 44.53 O HETATM 2887 O HOH 73 19.414 6.188 17.490 1.00 56.54 O HETATM 2888 O HOH 74 16.755 12.339 20.083 1.00 44.72 O HETATM 2889 O HOH 75 5.373 -8.804 31.295 1.00 68.17 O HETATM 2890 O HOH 76 21.127 11.710 0.952 1.00 44.63 O HETATM 2891 O HOH 77 17.225 -8.224 -1.072 1.00 49.38 O HETATM 2892 O HOH 78 20.753 -12.748 4.999 1.00 52.15 O HETATM 2893 O HOH 79 20.261 14.673 12.330 1.00 43.59 O HETATM 2894 O HOH 80 8.529 10.657 2.656 1.00 45.54 O HETATM 2895 O HOH 81 13.974 -5.066 25.971 1.00 53.35 O HETATM 2896 O HOH 82 14.781 -5.785 23.628 1.00 50.46 O HETATM 2897 O HOH 83 26.544 0.185 5.005 1.00 52.48 O HETATM 2898 O HOH 84 8.647 -10.007 33.683 1.00 68.33 O HETATM 2899 O HOH 85 -3.240 2.778 15.865 1.00 64.02 O HETATM 2900 O HOH 86 4.773 5.359 1.299 1.00 45.51 O HETATM 2901 O HOH 87 29.140 12.388 10.648 1.00 53.28 O HETATM 2902 O HOH 88 10.795 -11.427 7.063 1.00 54.54 O HETATM 2903 O HOH 89 5.502 -13.766 25.384 1.00 33.53 O HETATM 2904 O HOH 90 -2.348 -19.264 26.612 1.00 34.05 O HETATM 2905 O HOH 91 -10.088 -8.482 9.684 1.00 38.57 O HETATM 2906 O HOH 92 -6.588 -5.753 15.016 1.00 39.49 O HETATM 2907 O HOH 93 6.155 -20.091 23.565 1.00 35.12 O HETATM 2908 O HOH 94 9.027 -14.549 9.931 1.00 43.29 O HETATM 2909 O HOH 95 -0.135 3.427 11.954 1.00 39.09 O HETATM 2910 O HOH 96 -11.113 -6.080 13.946 1.00 40.71 O HETATM 2911 O HOH 97 6.805 -17.696 14.714 1.00 44.07 O HETATM 2912 O HOH 98 -4.346 -3.335 17.638 1.00 39.59 O HETATM 2913 O HOH 99 2.405 -13.098 -1.451 1.00 39.66 O HETATM 2914 O HOH 100 -9.360 -14.997 8.887 1.00 38.16 O HETATM 2915 O HOH 101 -10.968 -20.331 19.740 1.00 38.17 O HETATM 2916 O HOH 102 -2.148 -24.300 22.533 1.00 38.29 O HETATM 2917 O HOH 103 10.499 -19.352 20.324 1.00 42.46 O HETATM 2918 O HOH 104 -9.523 -3.149 22.224 1.00 57.35 O HETATM 2919 O HOH 105 -6.483 -4.518 17.706 1.00 40.21 O HETATM 2920 O HOH 106 -8.741 -3.641 17.440 1.00 41.28 O HETATM 2921 O HOH 107 -6.031 -24.162 22.749 1.00 37.54 O HETATM 2922 O HOH 108 1.918 -29.151 10.546 1.00 42.46 O HETATM 2923 O HOH 109 8.989 -13.436 7.424 1.00 45.62 O HETATM 2924 O HOH 110 3.439 -3.850 -1.809 1.00 45.74 O HETATM 2925 O HOH 111 5.843 -14.719 4.041 1.00 39.34 O HETATM 2926 O HOH 112 9.469 -17.995 15.377 1.00 42.07 O HETATM 2927 O HOH 113 8.860 -13.724 23.621 1.00 37.69 O HETATM 2928 O HOH 114 3.813 9.552 10.301 1.00 42.29 O HETATM 2929 O HOH 115 1.614 -2.400 -7.119 1.00 30.51 O HETATM 2930 O HOH 116 5.943 -24.361 8.255 1.00 34.86 O HETATM 2931 O HOH 117 -2.001 -21.276 28.412 1.00 35.58 O HETATM 2932 O HOH 118 -11.637 -6.593 11.192 1.00 42.48 O HETATM 2933 O HOH 119 -8.527 -13.989 1.574 1.00 57.00 O HETATM 2934 O HOH 120 -1.573 -3.883 24.962 1.00 48.79 O HETATM 2935 O HOH 121 -9.786 -17.147 23.443 1.00 46.15 O HETATM 2936 O HOH 122 10.564 -12.573 16.247 1.00 49.01 O HETATM 2937 O HOH 123 10.569 -10.797 20.339 1.00 41.68 O HETATM 2938 O HOH 124 11.056 -13.418 11.485 1.00 42.14 O HETATM 2939 O HOH 125 8.233 -14.761 5.160 1.00 46.35 O HETATM 2940 O HOH 126 -4.684 -0.634 18.021 1.00 48.84 O HETATM 2941 O HOH 127 0.159 -27.954 16.420 1.00 48.63 O HETATM 2942 O HOH 128 2.872 -26.665 9.914 1.00 50.36 O HETATM 2943 O HOH 129 -0.188 -11.010 -6.737 1.00 44.45 O HETATM 2944 O HOH 130 -2.920 0.516 19.403 1.00 43.73 O HETATM 2945 O HOH 131 6.239 -15.659 27.164 1.00 46.79 O HETATM 2946 O HOH 132 -12.025 -14.596 9.046 1.00 38.83 O HETATM 2947 O HOH 133 -9.580 -31.048 12.090 1.00 47.79 O HETATM 2948 O HOH 134 7.433 -19.185 29.414 1.00 53.26 O HETATM 2949 O HOH 135 1.483 -22.322 8.448 1.00 48.61 O HETATM 2950 O HOH 136 -13.538 -8.470 12.451 1.00 47.43 O HETATM 2951 O HOH 137 6.742 -30.231 13.859 1.00 40.12 O HETATM 2952 O HOH 138 4.388 -26.995 18.253 1.00 41.90 O HETATM 2953 O HOH 139 2.605 -20.738 6.543 1.00 50.02 O HETATM 2954 O HOH 140 8.138 -21.606 26.030 1.00 64.83 O HETATM 2955 O HOH 141 3.315 -21.188 29.333 1.00 40.24 O HETATM 2956 O HOH 142 10.466 -17.885 22.342 1.00 50.67 O HETATM 2957 O HOH 143 -6.454 -3.762 21.630 1.00 47.01 O HETATM 2958 O HOH 144 8.114 -7.009 -3.728 1.00 52.81 O HETATM 2959 O HOH 145 4.966 -31.835 12.317 1.00 41.19 O HETATM 2960 O HOH 146 -1.825 1.754 11.083 1.00 57.81 O HETATM 2961 O HOH 147 -10.271 -6.098 17.875 1.00 52.47 O HETATM 2962 O HOH 148 9.475 -8.401 0.476 1.00 43.25 O HETATM 2963 O HOH 149 5.945 -13.888 29.577 1.00 58.70 O HETATM 2964 O HOH 150 -8.849 -24.456 19.324 1.00 44.90 O HETATM 2965 O HOH 151 -0.186 -15.989 32.880 1.00 52.58 O HETATM 2966 O HOH 152 -12.545 -9.864 19.840 1.00 53.37 O HETATM 2967 O HOH 153 6.758 -11.400 26.103 1.00 44.53 O HETATM 2968 O HOH 154 -6.188 -19.414 7.552 1.00 56.54 O HETATM 2969 O HOH 155 -12.339 -16.755 4.959 1.00 44.72 O HETATM 2970 O HOH 156 8.804 -5.373 -6.253 1.00 68.17 O HETATM 2971 O HOH 157 -11.710 -21.127 24.090 1.00 44.63 O HETATM 2972 O HOH 158 8.224 -17.225 26.114 1.00 49.38 O HETATM 2973 O HOH 159 12.748 -20.753 20.043 1.00 52.15 O HETATM 2974 O HOH 160 -14.673 -20.261 12.712 1.00 43.59 O HETATM 2975 O HOH 161 -10.657 -8.529 22.386 1.00 45.54 O HETATM 2976 O HOH 162 5.066 -13.974 -0.929 1.00 53.35 O HETATM 2977 O HOH 163 5.785 -14.781 1.414 1.00 50.46 O HETATM 2978 O HOH 164 -0.185 -26.544 20.037 1.00 52.48 O HETATM 2979 O HOH 165 10.007 -8.647 -8.641 1.00 68.33 O HETATM 2980 O HOH 166 -2.778 3.240 9.177 1.00 64.02 O HETATM 2981 O HOH 167 -5.359 -4.773 23.743 1.00 45.51 O HETATM 2982 O HOH 168 -12.388 -29.140 14.394 1.00 53.28 O HETATM 2983 O HOH 169 11.427 -10.795 17.979 1.00 54.54 O HETATM 2984 C1 PNT A 170 -0.996 2.643 24.634 1.00 0.09 C HETATM 2985 C2 PNT A 170 0.176 2.061 25.099 1.00 -0.03 C HETATM 2986 C3 PNT A 170 1.170 2.798 25.720 1.00 -0.07 C HETATM 2987 C4 PNT A 170 0.983 4.157 25.868 1.00 0.01 C HETATM 2988 C5 PNT A 170 -0.185 4.747 25.420 1.00 -0.07 C HETATM 2989 C6 PNT A 170 -1.171 4.002 24.801 1.00 -0.03 C HETATM 2990 H4 PNT A 170 -2.077 4.482 24.449 1.00 0.05 H HETATM 2991 H3 PNT A 170 -0.330 5.813 25.557 1.00 0.06 H HETATM 2992 C9 PNT A 170 2.003 5.023 26.526 1.00 0.23 C HETATM 2993 N1 PNT A 170 3.232 4.842 26.331 1.00 -0.27 N HETATM 2994 H19 PNT A 170 3.922 5.450 26.794 1.00 0.32 H HETATM 2995 H20 PNT A 170 3.549 4.085 25.708 1.00 0.32 H HETATM 2996 N2 PNT A 170 1.604 6.019 27.313 1.00 -0.27 N HETATM 2997 H21 PNT A 170 0.599 6.174 27.478 1.00 0.32 H HETATM 2998 H22 PNT A 170 2.300 6.635 27.757 1.00 0.32 H HETATM 2999 H2 PNT A 170 2.073 2.319 26.081 1.00 0.06 H HETATM 3000 H1 PNT A 170 0.317 0.994 24.971 1.00 0.05 H HETATM 3001 O1 PNT A 170 -1.997 1.945 24.013 1.00 -0.32 O HETATM 3002 C7 PNT A 170 -1.916 0.567 23.780 1.00 0.07 C HETATM 3003 C8 PNT A 170 -0.484 0.184 23.441 1.00 -0.03 C HETATM 3004 C10 PNT A 170 -0.082 -0.968 24.335 1.00 -0.05 C HETATM 3005 C8' PNT A 170 -0.346 -0.582 25.779 1.00 -0.03 C HETATM 3006 C7' PNT A 170 0.561 -1.343 26.727 1.00 0.07 C HETATM 3007 O1' PNT A 170 1.771 -1.714 26.110 1.00 -0.32 O HETATM 3008 C1' PNT A 170 2.574 -0.796 25.477 1.00 0.09 C HETATM 3009 C2' PNT A 170 2.153 0.491 25.154 1.00 -0.03 C HETATM 3010 C3' PNT A 170 2.965 1.405 24.501 1.00 -0.07 C HETATM 3011 C4' PNT A 170 4.250 1.019 24.188 1.00 0.01 C HETATM 3012 C5' PNT A 170 4.686 -0.259 24.500 1.00 -0.07 C HETATM 3013 C6' PNT A 170 3.860 -1.168 25.141 1.00 -0.03 C HETATM 3014 H14 PNT A 170 4.221 -2.163 25.377 1.00 0.05 H HETATM 3015 H13 PNT A 170 5.695 -0.554 24.237 1.00 0.06 H HETATM 3016 C9' PNT A 170 5.202 1.930 23.486 1.00 0.23 C HETATM 3017 N1' PNT A 170 5.143 3.187 23.586 1.00 -0.27 N HETATM 3018 H23 PNT A 170 5.822 3.776 23.083 1.00 0.32 H HETATM 3019 H24 PNT A 170 4.416 3.624 24.171 1.00 0.32 H HETATM 3020 N2' PNT A 170 6.140 1.368 22.725 1.00 -0.27 N HETATM 3021 H25 PNT A 170 6.190 0.343 22.642 1.00 0.32 H HETATM 3022 H26 PNT A 170 6.815 1.959 22.220 1.00 0.32 H HETATM 3023 H12 PNT A 170 2.600 2.393 24.244 1.00 0.06 H HETATM 3024 H11 PNT A 170 1.147 0.791 25.425 1.00 0.05 H HETATM 3025 H15 PNT A 170 0.041 -2.251 27.065 1.00 0.06 H HETATM 3026 H16 PNT A 170 0.785 -0.705 27.594 1.00 0.06 H HETATM 3027 H17 PNT A 170 -1.394 -0.810 26.025 1.00 0.03 H HETATM 3028 H18 PNT A 170 -0.167 0.496 25.900 1.00 0.03 H HETATM 3029 H9 PNT A 170 0.988 -1.185 24.200 1.00 0.03 H HETATM 3030 H10 PNT A 170 -0.672 -1.860 24.077 1.00 0.03 H HETATM 3031 H7 PNT A 170 0.183 1.042 23.615 1.00 0.03 H HETATM 3032 H8 PNT A 170 -0.419 -0.122 22.387 1.00 0.03 H HETATM 3033 H5 PNT A 170 -2.235 0.025 24.683 1.00 0.06 H HETATM 3034 H6 PNT A 170 -2.574 0.300 22.940 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 249 247 248 2818 CONECT 297 296 2819 CONECT 339 338 2819 CONECT 361 360 2819 CONECT 411 410 2819 CONECT 985 984 2820 CONECT 1008 1007 2820 CONECT 1027 1026 2820 CONECT 1043 1042 2820 CONECT 1314 1312 1313 2815 CONECT 1383 1382 2815 CONECT 1408 1409 1424 1425 1426 CONECT 1424 1408 CONECT 1425 1408 CONECT 1426 1408 CONECT 1656 1654 1655 2815 CONECT 1704 1703 2816 CONECT 1746 1745 2816 CONECT 1768 1767 2816 CONECT 1808 1806 1807 2815 CONECT 1818 1817 2816 CONECT 2392 2391 2817 CONECT 2415 2414 2817 CONECT 2434 2433 2817 CONECT 2450 2449 2817 CONECT 2721 2719 2720 2818 CONECT 2790 2789 2818 CONECT 2791 2789 2818 CONECT 2815 1314 1383 1656 1808 CONECT 2816 1704 1746 1768 1818 CONECT 2817 2392 2415 2434 2450 CONECT 2818 249 2721 2790 2791 CONECT 2819 297 339 361 411 CONECT 2820 985 1008 1027 1043 CONECT 2984 2985 2989 3001 CONECT 2985 2984 2986 3000 CONECT 2986 2985 2987 2999 CONECT 2987 2986 2988 2992 CONECT 2988 2987 2989 2991 CONECT 2989 2984 2988 2990 CONECT 2990 2989 CONECT 2991 2988 CONECT 2992 2987 2993 2996 CONECT 2993 2992 2994 2995 CONECT 2994 2993 CONECT 2995 2993 CONECT 2996 2992 2997 2998 CONECT 2997 2996 CONECT 2998 2996 CONECT 2999 2986 CONECT 3000 2985 CONECT 3001 2984 3002 CONECT 3002 3001 3003 3033 3034 CONECT 3003 3002 3004 3031 3032 CONECT 3004 3003 3005 3029 3030 CONECT 3005 3004 3006 3027 3028 CONECT 3006 3005 3007 3025 3026 CONECT 3007 3006 3008 CONECT 3008 3007 3009 3013 CONECT 3009 3008 3010 3024 CONECT 3010 3009 3011 3023 CONECT 3011 3010 3012 3016 CONECT 3012 3011 3013 3015 CONECT 3013 3008 3012 3014 CONECT 3014 3013 CONECT 3015 3012 CONECT 3016 3011 3017 3020 CONECT 3017 3016 3018 3019 CONECT 3018 3017 CONECT 3019 3017 CONECT 3020 3016 3021 3022 CONECT 3021 3020 CONECT 3022 3020 CONECT 3023 3010 CONECT 3024 3009 CONECT 3025 3006 CONECT 3026 3006 CONECT 3027 3005 CONECT 3028 3005 CONECT 3029 3004 CONECT 3030 3004 CONECT 3031 3003 CONECT 3032 3003 CONECT 3033 3002 CONECT 3034 3002 MASTER 0 0 0 0 0 0 0 0 3032 2 89 14 END
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Structure:
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Protein
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Related entries of code: 3cr5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
91aa, >1MQ1_1|Chains... at 97%
1mwn
RCSB PDB
PDBbind
92aa, >1MWN_1|Chains... *
2m49
RCSB PDB
PDBbind
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3cr4
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PDBbind
92aa, >3CR4_1|Chain... at 95%
3gk1
RCSB PDB
PDBbind
92aa, >3GK1_1|Chain... at 95%
3gk2
RCSB PDB
PDBbind
92aa, >3GK2_1|Chain... at 95%
3gk4
RCSB PDB
PDBbind
92aa, >3GK4_1|Chain... at 95%
3hcm
RCSB PDB
PDBbind
92aa, >3HCM_1|Chains... at 97%
3iqq
RCSB PDB
PDBbind
92aa, >3IQQ_1|Chain... at 95%
3lk0
RCSB PDB
PDBbind
90aa, >3LK0_1|Chains... at 95%
3lk1
RCSB PDB
PDBbind
90aa, >3LK1_1|Chain... at 95%
3lle
RCSB PDB
PDBbind
92aa, >3LLE_1|Chains... at 95%
4fqo
RCSB PDB
PDBbind
89aa, >4FQO_1|Chain... at 95%
4xyn
RCSB PDB
PDBbind
92aa, >4XYN_2|Chains... at 97%
5dkn
RCSB PDB
PDBbind
92aa, >5DKN_1|Chain... at 95%
5dkr
RCSB PDB
PDBbind
92aa, >5DKR_1|Chains... at 95%
5er4
RCSB PDB
PDBbind
92aa, >5ER4_1|Chain... at 95%
5er5
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3cr4
RCSB PDB
PDBbind
PNT
3gy3
RCSB PDB
PDBbind
PNT
3hii
RCSB PDB
PDBbind
PNT
Entry Information
PDB ID
3cr5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ca2+ Zn2+ loaded Protein S100-B
Ligand Name
PNT
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=64uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 382: pp. 56-73
Ligand Properties
Formula
C
1
9
H
2
6
N
4
O
2
Molecular Weight
342.435
Exact Mass
342.206
No. of atoms
51
No. of bonds
52
Polar Surface Area
121.68
LOGP Value
6.21 (
Computed with XLOGP3
)
0.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
NC(=[NH2+])c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=[NH2+])N
InChI String
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+2
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):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
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