Browse entries in the PDBbind-CN Database
HEADER 1J7Z_COMPLEX COMPND 1J7Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 101 ASN TYR CYS ASN GLN MET MET LYS SER ARG ASN LEU THR SEQRES 2 B 101 LYS ASP ARG CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SEQRES 3 B 101 SER LEU ALA ASP VAL GLN ALA VAL CYS SER GLN LYS ASN SEQRES 4 B 101 VAL ALA CYS LYS ASN GLY GLN THR ASN CYS TYR GLN SER SEQRES 5 B 101 TYR SER THR MET SER ILE THR ASP CYS ARG GLU THR GLY SEQRES 6 B 101 SER SER LYS TYR PRO ASN CYS ALA TYR LYS THR THR GLN SEQRES 7 B 101 ALA ASN LYS HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO SEQRES 8 B 101 TYR VAL PRO VAL HIS PHE ASP ALA SER VAL HET LYS A 145 241 SSBOND 1 CYS B 65 CYS B 72 SSBOND 2 CYS B 26 CYS B 84 SSBOND 3 CYS B 40 CYS B 95 SSBOND 4 CYS B 58 CYS B 110 ATOM 1 N ASN B 24 -29.473 -7.309 -2.373 1.00 25.64 N ATOM 2 CA ASN B 24 -28.755 -8.474 -1.783 1.00 26.69 C ATOM 3 C ASN B 24 -28.118 -8.185 -0.417 1.00 25.96 C ATOM 4 O ASN B 24 -28.027 -7.033 0.022 1.00 25.16 O ATOM 5 CB ASN B 24 -27.704 -9.027 -2.779 1.00 30.13 C ATOM 6 CG ASN B 24 -26.507 -8.081 -3.004 1.00 28.75 C ATOM 7 OD1 ASN B 24 -25.829 -7.670 -2.066 1.00 28.82 O ATOM 8 ND2 ASN B 24 -26.244 -7.755 -4.263 1.00 32.83 N ATOM 9 HA ASN B 24 -29.513 -9.235 -1.599 1.00 0.00 H ATOM 10 HB2 ASN B 24 -27.327 -9.974 -2.392 1.00 0.00 H ATOM 11 HB3 ASN B 24 -28.194 -9.197 -3.738 1.00 0.00 H ATOM 12 HD22 ASN B 24 -26.841 -8.123 -5.031 1.00 0.00 H ATOM 13 HD21 ASN B 24 -25.441 -7.132 -4.482 1.00 0.00 H ATOM 14 HN3 ASN B 24 -28.806 -6.522 -2.504 1.00 0.00 H ATOM 15 HN2 ASN B 24 -30.237 -7.014 -1.732 1.00 0.00 H ATOM 16 HN1 ASN B 24 -29.875 -7.581 -3.293 1.00 0.00 H ATOM 17 N TYR B 25 -27.686 -9.247 0.253 1.00 24.53 N ATOM 18 CA TYR B 25 -27.077 -9.163 1.580 1.00 22.07 C ATOM 19 C TYR B 25 -25.923 -8.160 1.702 1.00 19.15 C ATOM 20 O TYR B 25 -25.847 -7.403 2.674 1.00 20.02 O ATOM 21 CB TYR B 25 -26.613 -10.566 1.993 1.00 23.20 C ATOM 22 CG TYR B 25 -25.753 -10.621 3.237 1.00 24.03 C ATOM 23 CD1 TYR B 25 -26.327 -10.722 4.502 1.00 22.01 C ATOM 24 CD2 TYR B 25 -24.363 -10.567 3.148 1.00 22.89 C ATOM 25 CE1 TYR B 25 -25.533 -10.765 5.650 1.00 22.20 C ATOM 26 CE2 TYR B 25 -23.570 -10.607 4.285 1.00 21.66 C ATOM 27 CZ TYR B 25 -24.162 -10.706 5.530 1.00 21.56 C ATOM 28 OH TYR B 25 -23.371 -10.734 6.649 1.00 24.67 O ATOM 29 HA TYR B 25 -27.845 -8.780 2.252 1.00 0.00 H ATOM 30 HB3 TYR B 25 -26.040 -10.988 1.168 1.00 0.00 H ATOM 31 HB2 TYR B 25 -27.499 -11.176 2.168 1.00 0.00 H ATOM 32 HD2 TYR B 25 -23.891 -10.492 2.168 1.00 0.00 H ATOM 33 HE2 TYR B 25 -22.485 -10.561 4.197 1.00 0.00 H ATOM 34 HE1 TYR B 25 -25.995 -10.845 6.634 1.00 0.00 H ATOM 35 HD1 TYR B 25 -27.412 -10.768 4.597 1.00 0.00 H ATOM 36 HH TYR B 25 -23.943 -10.807 7.454 1.00 0.00 H ATOM 37 H TYR B 25 -27.786 -10.184 -0.187 1.00 0.00 H ATOM 38 N CYS B 26 -25.030 -8.154 0.722 1.00 15.50 N ATOM 39 CA CYS B 26 -23.879 -7.265 0.743 1.00 19.53 C ATOM 40 C CYS B 26 -24.260 -5.801 0.665 1.00 21.82 C ATOM 41 O CYS B 26 -23.742 -4.973 1.415 1.00 23.50 O ATOM 42 CB CYS B 26 -22.937 -7.597 -0.407 1.00 17.54 C ATOM 43 SG CYS B 26 -21.854 -9.006 -0.054 1.00 22.07 S ATOM 44 HA CYS B 26 -23.384 -7.425 1.701 1.00 0.00 H ATOM 45 HB2 CYS B 26 -22.316 -6.724 -0.610 1.00 0.00 H ATOM 46 HB3 CYS B 26 -23.534 -7.830 -1.289 1.00 0.00 H ATOM 47 H CYS B 26 -25.156 -8.801 -0.082 1.00 0.00 H ATOM 48 N ASN B 27 -25.157 -5.475 -0.253 1.00 24.47 N ATOM 49 CA ASN B 27 -25.602 -4.098 -0.418 1.00 26.41 C ATOM 50 C ASN B 27 -26.284 -3.589 0.842 1.00 26.54 C ATOM 51 O ASN B 27 -26.092 -2.435 1.241 1.00 26.84 O ATOM 52 CB ASN B 27 -26.560 -4.014 -1.601 1.00 27.88 C ATOM 53 CG ASN B 27 -25.830 -3.956 -2.922 1.00 30.00 C ATOM 54 OD1 ASN B 27 -25.399 -4.978 -3.457 1.00 34.04 O ATOM 55 ND2 ASN B 27 -25.673 -2.750 -3.449 1.00 39.37 N ATOM 56 HA ASN B 27 -24.731 -3.470 -0.606 1.00 0.00 H ATOM 57 HB2 ASN B 27 -27.205 -4.893 -1.594 1.00 0.00 H ATOM 58 HB3 ASN B 27 -27.170 -3.116 -1.497 1.00 0.00 H ATOM 59 HD22 ASN B 27 -26.055 -1.915 -2.960 1.00 0.00 H ATOM 60 HD21 ASN B 27 -25.168 -2.639 -4.351 1.00 0.00 H ATOM 61 H ASN B 27 -25.551 -6.216 -0.867 1.00 0.00 H ATOM 62 N GLN B 28 -27.061 -4.469 1.473 1.00 24.09 N ATOM 63 CA GLN B 28 -27.784 -4.126 2.690 1.00 23.62 C ATOM 64 C GLN B 28 -26.881 -4.053 3.923 1.00 23.61 C ATOM 65 O GLN B 28 -26.980 -3.112 4.714 1.00 23.85 O ATOM 66 CB GLN B 28 -28.902 -5.142 2.938 1.00 28.29 C ATOM 67 CG GLN B 28 -30.292 -4.651 2.551 1.00 38.09 C ATOM 68 CD GLN B 28 -30.478 -4.523 1.042 1.00 45.70 C ATOM 69 OE1 GLN B 28 -30.854 -5.484 0.361 1.00 50.74 O ATOM 70 NE2 GLN B 28 -30.215 -3.332 0.511 1.00 49.02 N ATOM 71 HA GLN B 28 -28.200 -3.131 2.535 1.00 0.00 H ATOM 72 HB2 GLN B 28 -28.683 -6.039 2.359 1.00 0.00 H ATOM 73 HB3 GLN B 28 -28.910 -5.389 4.000 1.00 0.00 H ATOM 74 HG2 GLN B 28 -31.029 -5.356 2.934 1.00 0.00 H ATOM 75 HG3 GLN B 28 -30.455 -3.674 3.006 1.00 0.00 H ATOM 76 HE22 GLN B 28 -29.901 -2.549 1.119 1.00 0.00 H ATOM 77 HE21 GLN B 28 -30.324 -3.184 -0.513 1.00 0.00 H ATOM 78 H GLN B 28 -27.154 -5.429 1.085 1.00 0.00 H ATOM 79 N MET B 29 -25.998 -5.039 4.081 1.00 22.53 N ATOM 80 CA MET B 29 -25.100 -5.095 5.229 1.00 20.41 C ATOM 81 C MET B 29 -24.031 -4.016 5.160 1.00 22.00 C ATOM 82 O MET B 29 -23.620 -3.477 6.188 1.00 25.20 O ATOM 83 CB MET B 29 -24.448 -6.475 5.324 1.00 14.64 C ATOM 84 CG MET B 29 -24.023 -6.863 6.731 1.00 12.85 C ATOM 85 SD MET B 29 -25.273 -6.561 7.999 1.00 11.85 S ATOM 86 CE MET B 29 -26.209 -7.996 7.900 1.00 5.10 C ATOM 87 HA MET B 29 -25.697 -4.916 6.123 1.00 0.00 H ATOM 88 HB2 MET B 29 -25.161 -7.217 4.964 1.00 0.00 H ATOM 89 HB3 MET B 29 -23.565 -6.482 4.685 1.00 0.00 H ATOM 90 HG2 MET B 29 -23.131 -6.291 6.988 1.00 0.00 H ATOM 91 HG3 MET B 29 -23.784 -7.927 6.734 1.00 0.00 H ATOM 92 HE1 MET B 29 -26.624 -8.089 6.897 1.00 0.00 H ATOM 93 HE2 MET B 29 -25.575 -8.857 8.113 1.00 0.00 H ATOM 94 HE3 MET B 29 -27.020 -7.950 8.627 1.00 0.00 H ATOM 95 H MET B 29 -25.948 -5.791 3.364 1.00 0.00 H ATOM 96 N MET B 30 -23.581 -3.690 3.950 1.00 25.15 N ATOM 97 CA MET B 30 -22.561 -2.660 3.791 1.00 23.40 C ATOM 98 C MET B 30 -23.166 -1.307 4.135 1.00 23.77 C ATOM 99 O MET B 30 -22.497 -0.438 4.694 1.00 24.37 O ATOM 100 CB MET B 30 -22.020 -2.645 2.359 1.00 23.93 C ATOM 101 CG MET B 30 -21.288 -3.924 1.948 1.00 24.11 C ATOM 102 SD MET B 30 -19.577 -4.030 2.509 1.00 28.74 S ATOM 103 CE MET B 30 -18.764 -2.787 1.488 1.00 24.37 C ATOM 104 HA MET B 30 -21.730 -2.875 4.462 1.00 0.00 H ATOM 105 HB2 MET B 30 -22.859 -2.498 1.679 1.00 0.00 H ATOM 106 HB3 MET B 30 -21.327 -1.809 2.265 1.00 0.00 H ATOM 107 HG2 MET B 30 -21.293 -3.983 0.860 1.00 0.00 H ATOM 108 HG3 MET B 30 -21.833 -4.774 2.359 1.00 0.00 H ATOM 109 HE1 MET B 30 -18.884 -3.047 0.436 1.00 0.00 H ATOM 110 HE2 MET B 30 -19.215 -1.813 1.676 1.00 0.00 H ATOM 111 HE3 MET B 30 -17.703 -2.752 1.736 1.00 0.00 H ATOM 112 H MET B 30 -23.960 -4.174 3.111 1.00 0.00 H ATOM 113 N LYS B 31 -24.442 -1.137 3.810 1.00 23.85 N ATOM 114 CA LYS B 31 -25.125 0.111 4.105 1.00 29.11 C ATOM 115 C LYS B 31 -25.348 0.206 5.609 1.00 26.18 C ATOM 116 O LYS B 31 -24.966 1.192 6.245 1.00 28.76 O ATOM 117 CB LYS B 31 -26.466 0.159 3.376 1.00 38.41 C ATOM 118 CG LYS B 31 -26.582 1.306 2.386 1.00 52.34 C ATOM 119 CD LYS B 31 -25.841 0.995 1.071 1.00 63.66 C ATOM 120 CE LYS B 31 -26.722 0.236 0.066 1.00 65.79 C ATOM 121 NZ LYS B 31 -26.091 0.107 -1.277 1.00 63.67 N ATOM 122 HA LYS B 31 -24.517 0.950 3.768 1.00 0.00 H ATOM 123 HB2 LYS B 31 -26.598 -0.778 2.835 1.00 0.00 H ATOM 124 HB3 LYS B 31 -27.258 0.263 4.118 1.00 0.00 H ATOM 125 HG2 LYS B 31 -27.635 1.480 2.167 1.00 0.00 H ATOM 126 HG3 LYS B 31 -26.152 2.203 2.831 1.00 0.00 H ATOM 127 HD2 LYS B 31 -25.522 1.934 0.618 1.00 0.00 H ATOM 128 HD3 LYS B 31 -24.965 0.387 1.298 1.00 0.00 H ATOM 129 HE2 LYS B 31 -27.666 0.771 -0.043 1.00 0.00 H ATOM 130 HE3 LYS B 31 -26.915 -0.763 0.457 1.00 0.00 H ATOM 131 HZ1 LYS B 31 -25.910 1.054 -1.666 1.00 0.00 H ATOM 132 HZ2 LYS B 31 -25.193 -0.410 -1.189 1.00 0.00 H ATOM 133 HZ3 LYS B 31 -26.731 -0.413 -1.911 1.00 0.00 H ATOM 134 H LYS B 31 -24.959 -1.906 3.339 1.00 0.00 H ATOM 135 N SER B 32 -25.963 -0.831 6.171 1.00 23.79 N ATOM 136 CA SER B 32 -26.243 -0.891 7.603 1.00 25.67 C ATOM 137 C SER B 32 -25.028 -0.617 8.473 1.00 24.97 C ATOM 138 O SER B 32 -25.116 0.121 9.452 1.00 26.52 O ATOM 139 CB SER B 32 -26.808 -2.259 7.982 1.00 23.60 C ATOM 140 OG SER B 32 -28.174 -2.353 7.636 1.00 35.13 O ATOM 141 HA SER B 32 -26.971 -0.102 7.790 1.00 0.00 H ATOM 142 HB2 SER B 32 -26.701 -2.404 9.057 1.00 0.00 H ATOM 143 HB3 SER B 32 -26.252 -3.034 7.455 1.00 0.00 H ATOM 144 HG SER B 32 -28.275 -2.225 6.660 1.00 0.00 H ATOM 145 H SER B 32 -26.255 -1.627 5.569 1.00 0.00 H ATOM 146 N ARG B 33 -23.890 -1.195 8.106 1.00 21.47 N ATOM 147 CA ARG B 33 -22.684 -1.032 8.901 1.00 19.85 C ATOM 148 C ARG B 33 -21.892 0.246 8.636 1.00 22.56 C ATOM 149 O ARG B 33 -20.735 0.354 9.034 1.00 24.19 O ATOM 150 CB ARG B 33 -21.797 -2.267 8.730 1.00 20.45 C ATOM 151 CG ARG B 33 -22.441 -3.539 9.275 1.00 14.11 C ATOM 152 CD ARG B 33 -22.902 -3.369 10.734 1.00 14.45 C ATOM 153 NE ARG B 33 -23.421 -4.618 11.283 1.00 14.61 N ATOM 154 CZ ARG B 33 -22.655 -5.634 11.678 1.00 18.50 C ATOM 155 NH1 ARG B 33 -23.209 -6.738 12.163 1.00 16.35 N ATOM 156 NH2 ARG B 33 -21.334 -5.540 11.615 1.00 17.17 N ATOM 157 HA ARG B 33 -23.018 -0.930 9.934 1.00 0.00 H ATOM 158 HB2 ARG B 33 -21.595 -2.406 7.668 1.00 0.00 H ATOM 159 HB3 ARG B 33 -20.859 -2.098 9.258 1.00 0.00 H ATOM 160 HG2 ARG B 33 -23.305 -3.789 8.659 1.00 0.00 H ATOM 161 HG3 ARG B 33 -21.715 -4.351 9.227 1.00 0.00 H ATOM 162 HD2 ARG B 33 -23.686 -2.613 10.772 1.00 0.00 H ATOM 163 HD3 ARG B 33 -22.055 -3.042 11.337 1.00 0.00 H ATOM 164 HE ARG B 33 -24.452 -4.721 11.371 1.00 0.00 H ATOM 165 HH12 ARG B 33 -22.608 -7.529 12.471 1.00 0.00 H ATOM 166 HH11 ARG B 33 -24.244 -6.812 12.236 1.00 0.00 H ATOM 167 HH22 ARG B 33 -20.741 -6.336 11.925 1.00 0.00 H ATOM 168 HH21 ARG B 33 -20.891 -4.670 11.256 1.00 0.00 H ATOM 169 H ARG B 33 -23.861 -1.771 7.240 1.00 0.00 H ATOM 170 N ASN B 34 -22.525 1.221 7.987 1.00 27.26 N ATOM 171 CA ASN B 34 -21.878 2.501 7.686 1.00 30.82 C ATOM 172 C ASN B 34 -20.606 2.340 6.846 1.00 30.83 C ATOM 173 O ASN B 34 -19.604 3.021 7.079 1.00 30.19 O ATOM 174 CB ASN B 34 -21.556 3.233 9.005 1.00 34.42 C ATOM 175 CG ASN B 34 -20.786 4.532 8.786 1.00 40.02 C ATOM 176 OD1 ASN B 34 -19.961 4.928 9.617 1.00 42.62 O ATOM 177 ND2 ASN B 34 -21.053 5.197 7.664 1.00 40.12 N ATOM 178 HA ASN B 34 -22.575 3.089 7.088 1.00 0.00 H ATOM 179 HB2 ASN B 34 -22.492 3.464 9.513 1.00 0.00 H ATOM 180 HB3 ASN B 34 -20.956 2.574 9.632 1.00 0.00 H ATOM 181 HD22 ASN B 34 -21.756 4.825 6.994 1.00 0.00 H ATOM 182 HD21 ASN B 34 -20.559 6.089 7.458 1.00 0.00 H ATOM 183 H ASN B 34 -23.508 1.070 7.684 1.00 0.00 H ATOM 184 N LEU B 35 -20.651 1.457 5.854 1.00 28.84 N ATOM 185 CA LEU B 35 -19.475 1.221 5.019 1.00 27.49 C ATOM 186 C LEU B 35 -19.618 1.832 3.629 1.00 28.62 C ATOM 187 O LEU B 35 -18.624 2.177 2.985 1.00 30.76 O ATOM 188 CB LEU B 35 -19.198 -0.285 4.916 1.00 18.58 C ATOM 189 CG LEU B 35 -18.566 -0.934 6.150 1.00 14.52 C ATOM 190 CD1 LEU B 35 -19.169 -2.287 6.388 1.00 8.70 C ATOM 191 CD2 LEU B 35 -17.068 -1.053 5.941 1.00 20.72 C ATOM 192 HA LEU B 35 -18.630 1.715 5.498 1.00 0.00 H ATOM 193 HB2 LEU B 35 -20.146 -0.787 4.723 1.00 0.00 H ATOM 194 HB3 LEU B 35 -18.526 -0.444 4.073 1.00 0.00 H ATOM 195 HG LEU B 35 -18.758 -0.314 7.025 1.00 0.00 H ATOM 196 HD21 LEU B 35 -16.873 -1.669 5.063 1.00 0.00 H ATOM 197 HD22 LEU B 35 -16.643 -0.060 5.792 1.00 0.00 H ATOM 198 HD23 LEU B 35 -16.616 -1.515 6.819 1.00 0.00 H ATOM 199 HD11 LEU B 35 -20.242 -2.182 6.549 1.00 0.00 H ATOM 200 HD12 LEU B 35 -18.991 -2.921 5.519 1.00 0.00 H ATOM 201 HD13 LEU B 35 -18.711 -2.738 7.268 1.00 0.00 H ATOM 202 H LEU B 35 -21.529 0.930 5.671 1.00 0.00 H ATOM 203 N THR B 36 -20.854 1.983 3.172 1.00 26.21 N ATOM 204 CA THR B 36 -21.081 2.557 1.856 1.00 29.89 C ATOM 205 C THR B 36 -22.042 3.730 1.898 1.00 26.38 C ATOM 206 O THR B 36 -22.622 4.100 0.884 1.00 27.08 O ATOM 207 CB THR B 36 -21.624 1.507 0.869 1.00 33.86 C ATOM 208 OG1 THR B 36 -22.880 1.001 1.343 1.00 34.75 O ATOM 209 CG2 THR B 36 -20.632 0.363 0.714 1.00 32.99 C ATOM 210 HA THR B 36 -20.109 2.912 1.514 1.00 0.00 H ATOM 211 HB THR B 36 -21.768 1.979 -0.103 1.00 0.00 H ATOM 212 HG1 THR B 36 -23.527 1.746 1.419 1.00 0.00 H ATOM 213 HG23 THR B 36 -19.681 0.755 0.354 1.00 0.00 H ATOM 214 HG21 THR B 36 -20.485 -0.122 1.679 1.00 0.00 H ATOM 215 HG22 THR B 36 -21.023 -0.361 -0.002 1.00 0.00 H ATOM 216 H THR B 36 -21.663 1.690 3.757 1.00 0.00 H ATOM 217 N LYS B 37 -22.193 4.324 3.076 1.00 26.90 N ATOM 218 CA LYS B 37 -23.091 5.457 3.236 1.00 25.36 C ATOM 219 C LYS B 37 -22.464 6.737 2.699 1.00 26.31 C ATOM 220 O LYS B 37 -23.170 7.625 2.216 1.00 33.51 O ATOM 221 CB LYS B 37 -23.460 5.641 4.711 1.00 28.67 C ATOM 222 CG LYS B 37 -24.604 4.747 5.164 1.00 33.64 C ATOM 223 CD LYS B 37 -25.078 5.094 6.571 1.00 34.57 C ATOM 224 CE LYS B 37 -26.438 4.463 6.858 1.00 35.24 C ATOM 225 NZ LYS B 37 -26.938 4.769 8.226 1.00 36.79 N ATOM 226 HA LYS B 37 -23.994 5.249 2.662 1.00 0.00 H ATOM 227 HB2 LYS B 37 -22.583 5.414 5.318 1.00 0.00 H ATOM 228 HB3 LYS B 37 -23.750 6.680 4.868 1.00 0.00 H ATOM 229 HG2 LYS B 37 -25.438 4.865 4.472 1.00 0.00 H ATOM 230 HG3 LYS B 37 -24.267 3.710 5.152 1.00 0.00 H ATOM 231 HD2 LYS B 37 -24.352 4.723 7.294 1.00 0.00 H ATOM 232 HD3 LYS B 37 -25.160 6.177 6.664 1.00 0.00 H ATOM 233 HE2 LYS B 37 -26.350 3.382 6.753 1.00 0.00 H ATOM 234 HE3 LYS B 37 -27.158 4.840 6.131 1.00 0.00 H ATOM 235 HZ1 LYS B 37 -26.264 4.406 8.930 1.00 0.00 H ATOM 236 HZ2 LYS B 37 -27.035 5.799 8.336 1.00 0.00 H ATOM 237 HZ3 LYS B 37 -27.864 4.316 8.365 1.00 0.00 H ATOM 238 H LYS B 37 -21.660 3.973 3.898 1.00 0.00 H ATOM 239 N ASP B 38 -21.139 6.827 2.766 1.00 27.04 N ATOM 240 CA ASP B 38 -20.426 8.013 2.297 1.00 24.95 C ATOM 241 C ASP B 38 -19.391 7.718 1.219 1.00 22.47 C ATOM 242 O ASP B 38 -18.576 8.580 0.886 1.00 20.34 O ATOM 243 CB ASP B 38 -19.740 8.705 3.478 1.00 33.31 C ATOM 244 CG ASP B 38 -18.748 7.802 4.185 1.00 38.61 C ATOM 245 OD1 ASP B 38 -18.636 6.611 3.818 1.00 41.76 O ATOM 246 OD2 ASP B 38 -18.083 8.285 5.121 1.00 46.93 O ATOM 247 HA ASP B 38 -21.176 8.662 1.846 1.00 0.00 H ATOM 248 HB2 ASP B 38 -19.211 9.584 3.109 1.00 0.00 H ATOM 249 HB3 ASP B 38 -20.502 9.014 4.193 1.00 0.00 H ATOM 250 H ASP B 38 -20.596 6.033 3.162 1.00 0.00 H ATOM 251 N ARG B 39 -19.422 6.498 0.686 1.00 23.24 N ATOM 252 CA ARG B 39 -18.499 6.075 -0.360 1.00 23.28 C ATOM 253 C ARG B 39 -18.723 4.599 -0.635 1.00 25.18 C ATOM 254 O ARG B 39 -19.382 3.915 0.146 1.00 24.83 O ATOM 255 CB ARG B 39 -17.052 6.298 0.088 1.00 29.19 C ATOM 256 CG ARG B 39 -16.330 5.039 0.558 1.00 36.17 C ATOM 257 CD ARG B 39 -15.393 5.318 1.728 1.00 46.56 C ATOM 258 NE ARG B 39 -15.838 4.619 2.933 1.00 55.91 N ATOM 259 CZ ARG B 39 -15.670 3.317 3.148 1.00 58.45 C ATOM 260 NH1 ARG B 39 -16.114 2.766 4.275 1.00 57.31 N ATOM 261 NH2 ARG B 39 -15.055 2.564 2.244 1.00 59.35 N ATOM 262 HA ARG B 39 -18.678 6.659 -1.263 1.00 0.00 H ATOM 263 HB2 ARG B 39 -16.496 6.715 -0.752 1.00 0.00 H ATOM 264 HB3 ARG B 39 -17.057 7.014 0.910 1.00 0.00 H ATOM 265 HG2 ARG B 39 -17.072 4.303 0.869 1.00 0.00 H ATOM 266 HG3 ARG B 39 -15.747 4.637 -0.271 1.00 0.00 H ATOM 267 HD2 ARG B 39 -15.375 6.390 1.923 1.00 0.00 H ATOM 268 HD3 ARG B 39 -14.389 4.980 1.470 1.00 0.00 H ATOM 269 HE ARG B 39 -16.317 5.176 3.669 1.00 0.00 H ATOM 270 HH12 ARG B 39 -15.983 1.748 4.443 1.00 0.00 H ATOM 271 HH11 ARG B 39 -16.592 3.353 4.988 1.00 0.00 H ATOM 272 HH22 ARG B 39 -14.926 1.546 2.416 1.00 0.00 H ATOM 273 HH21 ARG B 39 -14.703 2.992 1.364 1.00 0.00 H ATOM 274 H ARG B 39 -20.132 5.821 1.029 1.00 0.00 H ATOM 275 N CYS B 40 -18.180 4.103 -1.744 1.00 25.84 N ATOM 276 CA CYS B 40 -18.330 2.690 -2.076 1.00 26.09 C ATOM 277 C CYS B 40 -17.042 1.976 -1.738 1.00 26.57 C ATOM 278 O CYS B 40 -16.034 2.176 -2.412 1.00 29.87 O ATOM 279 CB CYS B 40 -18.618 2.476 -3.565 1.00 25.29 C ATOM 280 SG CYS B 40 -20.156 3.200 -4.231 1.00 25.11 S ATOM 281 HA CYS B 40 -19.172 2.299 -1.504 1.00 0.00 H ATOM 282 HB2 CYS B 40 -18.659 1.401 -3.740 1.00 0.00 H ATOM 283 HB3 CYS B 40 -17.786 2.902 -4.125 1.00 0.00 H ATOM 284 H CYS B 40 -17.644 4.728 -2.380 1.00 0.00 H ATOM 285 N LYS B 41 -17.073 1.153 -0.689 1.00 26.88 N ATOM 286 CA LYS B 41 -15.897 0.390 -0.273 1.00 23.52 C ATOM 287 C LYS B 41 -15.741 -0.735 -1.291 1.00 19.78 C ATOM 288 O LYS B 41 -16.683 -1.471 -1.550 1.00 22.99 O ATOM 289 CB LYS B 41 -16.111 -0.173 1.133 1.00 20.96 C ATOM 290 CG LYS B 41 -14.981 -1.058 1.614 1.00 28.22 C ATOM 291 CD LYS B 41 -14.684 -0.867 3.098 1.00 33.76 C ATOM 292 CE LYS B 41 -13.196 -1.057 3.398 1.00 37.40 C ATOM 293 NZ LYS B 41 -12.945 -1.911 4.594 1.00 41.37 N ATOM 294 HA LYS B 41 -15.002 1.011 -0.238 1.00 0.00 H ATOM 295 HB2 LYS B 41 -16.213 0.662 1.826 1.00 0.00 H ATOM 296 HB3 LYS B 41 -17.031 -0.758 1.133 1.00 0.00 H ATOM 297 HG2 LYS B 41 -15.254 -2.099 1.443 1.00 0.00 H ATOM 298 HG3 LYS B 41 -14.083 -0.821 1.044 1.00 0.00 H ATOM 299 HD2 LYS B 41 -14.980 0.140 3.393 1.00 0.00 H ATOM 300 HD3 LYS B 41 -15.258 -1.595 3.671 1.00 0.00 H ATOM 301 HE2 LYS B 41 -12.749 -0.078 3.570 1.00 0.00 H ATOM 302 HE3 LYS B 41 -12.724 -1.523 2.533 1.00 0.00 H ATOM 303 HZ1 LYS B 41 -13.382 -1.472 5.430 1.00 0.00 H ATOM 304 HZ2 LYS B 41 -13.359 -2.853 4.439 1.00 0.00 H ATOM 305 HZ3 LYS B 41 -11.920 -2.002 4.745 1.00 0.00 H ATOM 306 H LYS B 41 -17.958 1.051 -0.152 1.00 0.00 H ATOM 307 N PRO B 42 -14.551 -0.877 -1.893 1.00 18.57 N ATOM 308 CA PRO B 42 -14.333 -1.932 -2.893 1.00 20.96 C ATOM 309 C PRO B 42 -14.636 -3.361 -2.452 1.00 20.18 C ATOM 310 O PRO B 42 -15.405 -4.065 -3.103 1.00 21.68 O ATOM 311 CB PRO B 42 -12.866 -1.760 -3.301 1.00 19.76 C ATOM 312 CG PRO B 42 -12.535 -0.365 -2.933 1.00 23.02 C ATOM 313 CD PRO B 42 -13.344 -0.065 -1.693 1.00 19.01 C ATOM 314 HA PRO B 42 -15.043 -1.808 -3.711 1.00 0.00 H ATOM 315 HD3 PRO B 42 -12.811 -0.368 -0.792 1.00 0.00 H ATOM 316 HD2 PRO B 42 -13.589 0.995 -1.630 1.00 0.00 H ATOM 317 HG3 PRO B 42 -12.808 0.316 -3.739 1.00 0.00 H ATOM 318 HG2 PRO B 42 -11.469 -0.270 -2.724 1.00 0.00 H ATOM 319 HB2 PRO B 42 -12.231 -2.462 -2.760 1.00 0.00 H ATOM 320 HB3 PRO B 42 -12.744 -1.914 -4.373 1.00 0.00 H ATOM 321 N VAL B 43 -14.031 -3.787 -1.352 1.00 18.64 N ATOM 322 CA VAL B 43 -14.246 -5.133 -0.860 1.00 18.00 C ATOM 323 C VAL B 43 -14.381 -5.182 0.660 1.00 17.99 C ATOM 324 O VAL B 43 -13.814 -4.362 1.374 1.00 19.09 O ATOM 325 CB VAL B 43 -13.087 -6.059 -1.292 1.00 13.29 C ATOM 326 CG1 VAL B 43 -11.768 -5.411 -0.962 1.00 11.25 C ATOM 327 CG2 VAL B 43 -13.203 -7.397 -0.599 1.00 12.48 C ATOM 328 HA VAL B 43 -15.184 -5.477 -1.296 1.00 0.00 H ATOM 329 HB VAL B 43 -13.142 -6.221 -2.368 1.00 0.00 H ATOM 330 HG11 VAL B 43 -11.689 -4.461 -1.491 1.00 0.00 H ATOM 331 HG12 VAL B 43 -11.709 -5.236 0.112 1.00 0.00 H ATOM 332 HG13 VAL B 43 -10.955 -6.069 -1.269 1.00 0.00 H ATOM 333 HG21 VAL B 43 -13.161 -7.251 0.480 1.00 0.00 H ATOM 334 HG22 VAL B 43 -14.152 -7.862 -0.867 1.00 0.00 H ATOM 335 HG23 VAL B 43 -12.380 -8.040 -0.912 1.00 0.00 H ATOM 336 H VAL B 43 -13.394 -3.147 -0.836 1.00 0.00 H ATOM 337 N ASN B 44 -15.146 -6.153 1.142 1.00 16.63 N ATOM 338 CA ASN B 44 -15.335 -6.343 2.570 1.00 18.64 C ATOM 339 C ASN B 44 -15.810 -7.760 2.848 1.00 18.96 C ATOM 340 O ASN B 44 -16.579 -8.322 2.072 1.00 22.32 O ATOM 341 CB ASN B 44 -16.344 -5.346 3.141 1.00 16.07 C ATOM 342 CG ASN B 44 -16.355 -5.350 4.663 1.00 13.58 C ATOM 343 OD1 ASN B 44 -15.367 -4.992 5.301 1.00 16.81 O ATOM 344 ND2 ASN B 44 -17.471 -5.767 5.247 1.00 14.09 N ATOM 345 HA ASN B 44 -14.375 -6.173 3.056 1.00 0.00 H ATOM 346 HB2 ASN B 44 -16.085 -4.346 2.794 1.00 0.00 H ATOM 347 HB3 ASN B 44 -17.339 -5.608 2.781 1.00 0.00 H ATOM 348 HD22 ASN B 44 -18.283 -6.061 4.667 1.00 0.00 H ATOM 349 HD21 ASN B 44 -17.534 -5.800 6.285 1.00 0.00 H ATOM 350 H ASN B 44 -15.624 -6.796 0.479 1.00 0.00 H ATOM 351 N THR B 45 -15.356 -8.324 3.967 1.00 18.47 N ATOM 352 CA THR B 45 -15.711 -9.688 4.357 1.00 16.69 C ATOM 353 C THR B 45 -16.438 -9.707 5.699 1.00 16.34 C ATOM 354 O THR B 45 -16.008 -9.066 6.657 1.00 17.16 O ATOM 355 CB THR B 45 -14.440 -10.583 4.484 1.00 17.68 C ATOM 356 OG1 THR B 45 -13.740 -10.612 3.235 1.00 19.16 O ATOM 357 CG2 THR B 45 -14.823 -12.001 4.874 1.00 16.86 C ATOM 358 HA THR B 45 -16.365 -10.078 3.577 1.00 0.00 H ATOM 359 HB THR B 45 -13.798 -10.162 5.258 1.00 0.00 H ATOM 360 HG1 THR B 45 -14.333 -10.982 2.534 1.00 0.00 H ATOM 361 HG23 THR B 45 -15.356 -11.984 5.825 1.00 0.00 H ATOM 362 HG21 THR B 45 -15.465 -12.428 4.103 1.00 0.00 H ATOM 363 HG22 THR B 45 -13.921 -12.605 4.973 1.00 0.00 H ATOM 364 H THR B 45 -14.726 -7.774 4.585 1.00 0.00 H ATOM 365 N PHE B 46 -17.548 -10.432 5.762 1.00 17.33 N ATOM 366 CA PHE B 46 -18.301 -10.558 7.005 1.00 15.09 C ATOM 367 C PHE B 46 -18.155 -11.989 7.499 1.00 16.29 C ATOM 368 O PHE B 46 -18.406 -12.923 6.746 1.00 16.20 O ATOM 369 CB PHE B 46 -19.778 -10.270 6.767 1.00 13.24 C ATOM 370 CG PHE B 46 -20.068 -8.851 6.385 1.00 15.51 C ATOM 371 CD1 PHE B 46 -20.165 -7.860 7.356 1.00 13.14 C ATOM 372 CD2 PHE B 46 -20.316 -8.516 5.056 1.00 16.94 C ATOM 373 CE1 PHE B 46 -20.510 -6.560 7.012 1.00 13.66 C ATOM 374 CE2 PHE B 46 -20.665 -7.214 4.703 1.00 11.82 C ATOM 375 CZ PHE B 46 -20.761 -6.238 5.682 1.00 12.43 C ATOM 376 HA PHE B 46 -17.919 -9.846 7.736 1.00 0.00 H ATOM 377 HB2 PHE B 46 -20.129 -10.920 5.965 1.00 0.00 H ATOM 378 HB3 PHE B 46 -20.324 -10.497 7.683 1.00 0.00 H ATOM 379 HD2 PHE B 46 -20.236 -9.281 4.283 1.00 0.00 H ATOM 380 HE2 PHE B 46 -20.862 -6.964 3.660 1.00 0.00 H ATOM 381 HZ PHE B 46 -21.033 -5.218 5.410 1.00 0.00 H ATOM 382 HE1 PHE B 46 -20.584 -5.793 7.783 1.00 0.00 H ATOM 383 HD1 PHE B 46 -19.968 -8.107 8.399 1.00 0.00 H ATOM 384 H PHE B 46 -17.888 -10.920 4.909 1.00 0.00 H ATOM 385 N VAL B 47 -17.741 -12.165 8.749 1.00 16.40 N ATOM 386 CA VAL B 47 -17.580 -13.506 9.310 1.00 18.24 C ATOM 387 C VAL B 47 -18.835 -13.895 10.084 1.00 20.07 C ATOM 388 O VAL B 47 -19.348 -13.105 10.878 1.00 20.39 O ATOM 389 CB VAL B 47 -16.361 -13.599 10.283 1.00 17.02 C ATOM 390 CG1 VAL B 47 -16.010 -15.056 10.545 1.00 18.02 C ATOM 391 CG2 VAL B 47 -15.168 -12.871 9.703 1.00 17.82 C ATOM 392 HA VAL B 47 -17.408 -14.182 8.472 1.00 0.00 H ATOM 393 HB VAL B 47 -16.632 -13.127 11.227 1.00 0.00 H ATOM 394 HG11 VAL B 47 -16.866 -15.559 10.994 1.00 0.00 H ATOM 395 HG12 VAL B 47 -15.754 -15.542 9.603 1.00 0.00 H ATOM 396 HG13 VAL B 47 -15.159 -15.107 11.224 1.00 0.00 H ATOM 397 HG21 VAL B 47 -14.897 -13.323 8.749 1.00 0.00 H ATOM 398 HG22 VAL B 47 -15.423 -11.822 9.551 1.00 0.00 H ATOM 399 HG23 VAL B 47 -14.328 -12.946 10.393 1.00 0.00 H ATOM 400 H VAL B 47 -17.528 -11.335 9.339 1.00 0.00 H ATOM 401 N HIS B 48 -19.327 -15.109 9.858 1.00 17.81 N ATOM 402 CA HIS B 48 -20.525 -15.567 10.546 1.00 17.14 C ATOM 403 C HIS B 48 -20.219 -16.529 11.689 1.00 21.50 C ATOM 404 O HIS B 48 -20.695 -17.663 11.709 1.00 27.71 O ATOM 405 CB HIS B 48 -21.484 -16.226 9.553 1.00 13.30 C ATOM 406 CG HIS B 48 -21.827 -15.357 8.385 1.00 20.34 C ATOM 407 ND1 HIS B 48 -22.678 -14.282 8.487 1.00 21.76 N ATOM 408 CD2 HIS B 48 -21.423 -15.396 7.090 1.00 19.22 C ATOM 409 CE1 HIS B 48 -22.787 -13.690 7.309 1.00 24.20 C ATOM 410 NE2 HIS B 48 -22.036 -14.351 6.446 1.00 21.93 N ATOM 411 HA HIS B 48 -20.993 -14.686 10.985 1.00 0.00 H ATOM 412 HB2 HIS B 48 -21.020 -17.139 9.179 1.00 0.00 H ATOM 413 HB3 HIS B 48 -22.405 -16.477 10.078 1.00 0.00 H ATOM 414 HD2 HIS B 48 -20.741 -16.120 6.646 1.00 0.00 H ATOM 415 HE1 HIS B 48 -23.391 -12.810 7.089 1.00 0.00 H ATOM 416 H HIS B 48 -18.850 -15.739 9.182 1.00 0.00 H ATOM 417 N GLU B 49 -19.412 -16.073 12.640 1.00 24.36 N ATOM 418 CA GLU B 49 -19.076 -16.875 13.811 1.00 23.77 C ATOM 419 C GLU B 49 -19.246 -15.953 15.011 1.00 23.93 C ATOM 420 O GLU B 49 -19.354 -14.736 14.844 1.00 26.21 O ATOM 421 CB GLU B 49 -17.633 -17.387 13.723 1.00 20.96 C ATOM 422 CG GLU B 49 -17.333 -18.179 12.447 1.00 28.92 C ATOM 423 CD GLU B 49 -17.935 -19.590 12.451 1.00 31.84 C ATOM 424 OE1 GLU B 49 -18.012 -20.225 11.372 1.00 25.69 O ATOM 425 OE2 GLU B 49 -18.328 -20.067 13.538 1.00 35.72 O ATOM 426 HA GLU B 49 -19.717 -17.754 13.888 1.00 0.00 H ATOM 427 HB2 GLU B 49 -16.961 -16.529 13.761 1.00 0.00 H ATOM 428 HB3 GLU B 49 -17.445 -18.033 14.581 1.00 0.00 H ATOM 429 HG2 GLU B 49 -17.740 -17.632 11.597 1.00 0.00 H ATOM 430 HG3 GLU B 49 -16.252 -18.264 12.339 1.00 0.00 H ATOM 431 H GLU B 49 -19.009 -15.119 12.547 1.00 0.00 H ATOM 432 N SER B 50 -19.288 -16.522 16.213 1.00 20.72 N ATOM 433 CA SER B 50 -19.453 -15.723 17.415 1.00 18.78 C ATOM 434 C SER B 50 -18.230 -14.823 17.563 1.00 19.75 C ATOM 435 O SER B 50 -17.145 -15.169 17.090 1.00 20.84 O ATOM 436 CB SER B 50 -19.619 -16.633 18.639 1.00 16.07 C ATOM 437 OG SER B 50 -18.359 -17.018 19.164 1.00 22.47 O ATOM 438 HA SER B 50 -20.350 -15.108 17.340 1.00 0.00 H ATOM 439 HB2 SER B 50 -20.171 -17.526 18.347 1.00 0.00 H ATOM 440 HB3 SER B 50 -20.177 -16.098 19.408 1.00 0.00 H ATOM 441 HG SER B 50 -18.495 -17.603 19.951 1.00 0.00 H ATOM 442 H SER B 50 -19.201 -17.555 16.293 1.00 0.00 H ATOM 443 N LEU B 51 -18.402 -13.671 18.209 1.00 15.71 N ATOM 444 CA LEU B 51 -17.294 -12.740 18.379 1.00 15.93 C ATOM 445 C LEU B 51 -16.148 -13.319 19.202 1.00 14.60 C ATOM 446 O LEU B 51 -14.987 -12.978 18.983 1.00 19.60 O ATOM 447 CB LEU B 51 -17.789 -11.438 19.017 1.00 21.29 C ATOM 448 CG LEU B 51 -16.756 -10.322 19.240 1.00 29.73 C ATOM 449 CD1 LEU B 51 -15.892 -10.112 17.989 1.00 33.09 C ATOM 450 CD2 LEU B 51 -17.482 -9.039 19.603 1.00 27.69 C ATOM 451 HA LEU B 51 -16.900 -12.540 17.383 1.00 0.00 H ATOM 452 HB2 LEU B 51 -18.572 -11.036 18.374 1.00 0.00 H ATOM 453 HB3 LEU B 51 -18.213 -11.690 19.989 1.00 0.00 H ATOM 454 HG LEU B 51 -16.092 -10.611 20.055 1.00 0.00 H ATOM 455 HD21 LEU B 51 -18.154 -8.761 18.791 1.00 0.00 H ATOM 456 HD22 LEU B 51 -18.058 -9.194 20.515 1.00 0.00 H ATOM 457 HD23 LEU B 51 -16.754 -8.244 19.762 1.00 0.00 H ATOM 458 HD11 LEU B 51 -15.363 -11.036 17.755 1.00 0.00 H ATOM 459 HD12 LEU B 51 -16.531 -9.835 17.150 1.00 0.00 H ATOM 460 HD13 LEU B 51 -15.171 -9.317 18.177 1.00 0.00 H ATOM 461 H LEU B 51 -19.337 -13.433 18.596 1.00 0.00 H ATOM 462 N ALA B 52 -16.466 -14.190 20.146 1.00 12.92 N ATOM 463 CA ALA B 52 -15.440 -14.784 20.989 1.00 15.12 C ATOM 464 C ALA B 52 -14.619 -15.786 20.199 1.00 12.61 C ATOM 465 O ALA B 52 -13.409 -15.886 20.381 1.00 18.01 O ATOM 466 CB ALA B 52 -16.075 -15.464 22.196 1.00 16.12 C ATOM 467 HA ALA B 52 -14.780 -13.990 21.339 1.00 0.00 H ATOM 468 HB1 ALA B 52 -16.630 -14.727 22.776 1.00 0.00 H ATOM 469 HB2 ALA B 52 -16.753 -16.246 21.856 1.00 0.00 H ATOM 470 HB3 ALA B 52 -15.294 -15.903 22.817 1.00 0.00 H ATOM 471 H ALA B 52 -17.462 -14.453 20.287 1.00 0.00 H ATOM 472 N ASP B 53 -15.280 -16.514 19.308 1.00 13.29 N ATOM 473 CA ASP B 53 -14.604 -17.508 18.498 1.00 15.26 C ATOM 474 C ASP B 53 -13.623 -16.873 17.519 1.00 17.20 C ATOM 475 O ASP B 53 -12.615 -17.483 17.159 1.00 16.99 O ATOM 476 CB ASP B 53 -15.633 -18.350 17.743 1.00 24.47 C ATOM 477 CG ASP B 53 -16.323 -19.357 18.639 1.00 26.78 C ATOM 478 OD1 ASP B 53 -15.929 -19.448 19.824 1.00 26.41 O ATOM 479 OD2 ASP B 53 -17.252 -20.054 18.166 1.00 27.69 O ATOM 480 HA ASP B 53 -14.029 -18.148 19.167 1.00 0.00 H ATOM 481 HB2 ASP B 53 -16.385 -17.686 17.318 1.00 0.00 H ATOM 482 HB3 ASP B 53 -15.127 -18.885 16.940 1.00 0.00 H ATOM 483 H ASP B 53 -16.303 -16.369 19.189 1.00 0.00 H ATOM 484 N VAL B 54 -13.917 -15.655 17.078 1.00 16.80 N ATOM 485 CA VAL B 54 -13.019 -14.964 16.159 1.00 18.64 C ATOM 486 C VAL B 54 -11.899 -14.301 16.957 1.00 18.35 C ATOM 487 O VAL B 54 -10.759 -14.241 16.502 1.00 22.31 O ATOM 488 CB VAL B 54 -13.763 -13.891 15.323 1.00 20.04 C ATOM 489 CG1 VAL B 54 -12.769 -13.114 14.448 1.00 15.81 C ATOM 490 CG2 VAL B 54 -14.836 -14.556 14.467 1.00 19.32 C ATOM 491 HA VAL B 54 -12.611 -15.700 15.467 1.00 0.00 H ATOM 492 HB VAL B 54 -14.245 -13.183 15.997 1.00 0.00 H ATOM 493 HG11 VAL B 54 -12.033 -12.623 15.085 1.00 0.00 H ATOM 494 HG12 VAL B 54 -12.264 -13.805 13.773 1.00 0.00 H ATOM 495 HG13 VAL B 54 -13.307 -12.365 13.867 1.00 0.00 H ATOM 496 HG21 VAL B 54 -14.369 -15.277 13.796 1.00 0.00 H ATOM 497 HG22 VAL B 54 -15.549 -15.068 15.113 1.00 0.00 H ATOM 498 HG23 VAL B 54 -15.355 -13.796 13.882 1.00 0.00 H ATOM 499 H VAL B 54 -14.794 -15.191 17.390 1.00 0.00 H ATOM 500 N GLN B 55 -12.225 -13.808 18.148 1.00 17.25 N ATOM 501 CA GLN B 55 -11.218 -13.172 18.995 1.00 18.58 C ATOM 502 C GLN B 55 -10.202 -14.225 19.421 1.00 17.78 C ATOM 503 O GLN B 55 -9.030 -13.929 19.650 1.00 18.17 O ATOM 504 CB GLN B 55 -11.882 -12.536 20.227 1.00 23.35 C ATOM 505 CG GLN B 55 -12.687 -11.268 19.902 1.00 27.38 C ATOM 506 CD GLN B 55 -13.331 -10.629 21.121 1.00 25.86 C ATOM 507 OE1 GLN B 55 -13.771 -11.314 22.042 1.00 27.74 O ATOM 508 NE2 GLN B 55 -13.392 -9.308 21.125 1.00 27.78 N ATOM 509 HA GLN B 55 -10.714 -12.382 18.439 1.00 0.00 H ATOM 510 HB2 GLN B 55 -12.555 -13.268 20.673 1.00 0.00 H ATOM 511 HB3 GLN B 55 -11.103 -12.276 20.944 1.00 0.00 H ATOM 512 HG2 GLN B 55 -12.016 -10.541 19.445 1.00 0.00 H ATOM 513 HG3 GLN B 55 -13.473 -11.530 19.194 1.00 0.00 H ATOM 514 HE22 GLN B 55 -13.007 -8.767 20.324 1.00 0.00 H ATOM 515 HE21 GLN B 55 -13.825 -8.810 21.929 1.00 0.00 H ATOM 516 H GLN B 55 -13.208 -13.876 18.481 1.00 0.00 H ATOM 517 N ALA B 56 -10.664 -15.467 19.507 1.00 18.32 N ATOM 518 CA ALA B 56 -9.816 -16.587 19.896 1.00 19.60 C ATOM 519 C ALA B 56 -8.674 -16.875 18.911 1.00 19.27 C ATOM 520 O ALA B 56 -7.655 -17.459 19.286 1.00 20.10 O ATOM 521 CB ALA B 56 -10.670 -17.833 20.069 1.00 16.09 C ATOM 522 HA ALA B 56 -9.343 -16.304 20.837 1.00 0.00 H ATOM 523 HB1 ALA B 56 -11.417 -17.656 20.843 1.00 0.00 H ATOM 524 HB2 ALA B 56 -11.169 -18.064 19.128 1.00 0.00 H ATOM 525 HB3 ALA B 56 -10.035 -18.670 20.360 1.00 0.00 H ATOM 526 H ALA B 56 -11.665 -15.647 19.289 1.00 0.00 H ATOM 527 N VAL B 57 -8.839 -16.466 17.657 1.00 20.15 N ATOM 528 CA VAL B 57 -7.823 -16.705 16.632 1.00 17.12 C ATOM 529 C VAL B 57 -6.487 -16.029 16.948 1.00 18.90 C ATOM 530 O VAL B 57 -5.439 -16.439 16.447 1.00 20.00 O ATOM 531 CB VAL B 57 -8.324 -16.226 15.254 1.00 17.49 C ATOM 532 CG1 VAL B 57 -7.308 -16.572 14.167 1.00 15.35 C ATOM 533 CG2 VAL B 57 -9.667 -16.869 14.946 1.00 12.08 C ATOM 534 HA VAL B 57 -7.651 -17.781 16.616 1.00 0.00 H ATOM 535 HB VAL B 57 -8.444 -15.143 15.277 1.00 0.00 H ATOM 536 HG11 VAL B 57 -6.359 -16.084 14.389 1.00 0.00 H ATOM 537 HG12 VAL B 57 -7.164 -17.652 14.137 1.00 0.00 H ATOM 538 HG13 VAL B 57 -7.679 -16.226 13.202 1.00 0.00 H ATOM 539 HG21 VAL B 57 -9.555 -17.953 14.934 1.00 0.00 H ATOM 540 HG22 VAL B 57 -10.388 -16.585 15.712 1.00 0.00 H ATOM 541 HG23 VAL B 57 -10.017 -16.528 13.972 1.00 0.00 H ATOM 542 H VAL B 57 -9.712 -15.964 17.398 1.00 0.00 H ATOM 543 N CYS B 58 -6.530 -15.007 17.800 1.00 19.29 N ATOM 544 CA CYS B 58 -5.331 -14.255 18.168 1.00 20.21 C ATOM 545 C CYS B 58 -4.329 -15.048 18.999 1.00 19.26 C ATOM 546 O CYS B 58 -3.240 -14.560 19.297 1.00 15.06 O ATOM 547 CB CYS B 58 -5.723 -12.990 18.917 1.00 18.28 C ATOM 548 SG CYS B 58 -6.436 -11.703 17.841 1.00 21.14 S ATOM 549 HA CYS B 58 -4.830 -14.013 17.231 1.00 0.00 H ATOM 550 HB2 CYS B 58 -4.834 -12.584 19.399 1.00 0.00 H ATOM 551 HB3 CYS B 58 -6.459 -13.252 19.677 1.00 0.00 H ATOM 552 H CYS B 58 -7.444 -14.735 18.216 1.00 0.00 H ATOM 553 N SER B 59 -4.710 -16.267 19.371 1.00 18.63 N ATOM 554 CA SER B 59 -3.835 -17.137 20.141 1.00 20.44 C ATOM 555 C SER B 59 -3.656 -18.463 19.406 1.00 21.34 C ATOM 556 O SER B 59 -3.268 -19.472 20.001 1.00 22.21 O ATOM 557 CB SER B 59 -4.406 -17.380 21.542 1.00 17.58 C ATOM 558 OG SER B 59 -5.758 -17.786 21.495 1.00 21.44 O ATOM 559 HA SER B 59 -2.865 -16.652 20.250 1.00 0.00 H ATOM 560 HB2 SER B 59 -4.334 -16.457 22.117 1.00 0.00 H ATOM 561 HB3 SER B 59 -3.821 -18.158 22.032 1.00 0.00 H ATOM 562 HG SER B 59 -6.298 -17.081 21.057 1.00 0.00 H ATOM 563 H SER B 59 -5.656 -16.606 19.105 1.00 0.00 H ATOM 564 N GLN B 60 -3.938 -18.460 18.105 1.00 17.67 N ATOM 565 CA GLN B 60 -3.794 -19.660 17.300 1.00 18.66 C ATOM 566 C GLN B 60 -2.516 -19.625 16.437 1.00 23.76 C ATOM 567 O GLN B 60 -1.496 -19.104 16.883 1.00 24.82 O ATOM 568 CB GLN B 60 -5.074 -19.872 16.484 1.00 18.17 C ATOM 569 CG GLN B 60 -6.203 -20.352 17.398 1.00 16.71 C ATOM 570 CD GLN B 60 -7.569 -20.414 16.752 1.00 17.95 C ATOM 571 OE1 GLN B 60 -7.696 -20.579 15.542 1.00 20.07 O ATOM 572 NE2 GLN B 60 -8.610 -20.294 17.571 1.00 18.08 N ATOM 573 HA GLN B 60 -3.666 -20.523 17.953 1.00 0.00 H ATOM 574 HB2 GLN B 60 -5.364 -18.932 16.015 1.00 0.00 H ATOM 575 HB3 GLN B 60 -4.891 -20.620 15.712 1.00 0.00 H ATOM 576 HG2 GLN B 60 -5.950 -21.352 17.751 1.00 0.00 H ATOM 577 HG3 GLN B 60 -6.262 -19.672 18.248 1.00 0.00 H ATOM 578 HE22 GLN B 60 -8.457 -20.155 18.590 1.00 0.00 H ATOM 579 HE21 GLN B 60 -9.578 -20.339 17.192 1.00 0.00 H ATOM 580 H GLN B 60 -4.268 -17.581 17.657 1.00 0.00 H ATOM 581 N LYS B 61 -2.545 -20.175 15.226 1.00 25.87 N ATOM 582 CA LYS B 61 -1.340 -20.188 14.392 1.00 25.68 C ATOM 583 C LYS B 61 -0.804 -18.805 14.015 1.00 24.33 C ATOM 584 O LYS B 61 -1.484 -18.030 13.355 1.00 25.12 O ATOM 585 CB LYS B 61 -1.590 -20.996 13.119 1.00 30.64 C ATOM 586 CG LYS B 61 -0.341 -21.224 12.273 1.00 43.09 C ATOM 587 CD LYS B 61 0.615 -22.230 12.933 1.00 55.27 C ATOM 588 CE LYS B 61 1.810 -22.573 12.035 1.00 60.01 C ATOM 589 NZ LYS B 61 2.693 -21.397 11.774 1.00 64.76 N ATOM 590 HA LYS B 61 -0.571 -20.652 15.009 1.00 0.00 H ATOM 591 HB2 LYS B 61 -1.994 -21.968 13.403 1.00 0.00 H ATOM 592 HB3 LYS B 61 -2.322 -20.463 12.513 1.00 0.00 H ATOM 593 HG2 LYS B 61 -0.640 -21.607 11.297 1.00 0.00 H ATOM 594 HG3 LYS B 61 0.178 -20.274 12.145 1.00 0.00 H ATOM 595 HD2 LYS B 61 0.987 -21.802 13.864 1.00 0.00 H ATOM 596 HD3 LYS B 61 0.065 -23.146 13.150 1.00 0.00 H ATOM 597 HE2 LYS B 61 1.434 -22.945 11.082 1.00 0.00 H ATOM 598 HE3 LYS B 61 2.399 -23.351 12.521 1.00 0.00 H ATOM 599 HZ1 LYS B 61 2.144 -20.651 11.302 1.00 0.00 H ATOM 600 HZ2 LYS B 61 3.065 -21.037 12.676 1.00 0.00 H ATOM 601 HZ3 LYS B 61 3.483 -21.687 11.163 1.00 0.00 H ATOM 602 H LYS B 61 -3.426 -20.597 14.870 1.00 0.00 H ATOM 603 N ASN B 62 0.419 -18.502 14.438 1.00 21.85 N ATOM 604 CA ASN B 62 1.032 -17.220 14.116 1.00 21.24 C ATOM 605 C ASN B 62 1.674 -17.286 12.740 1.00 23.66 C ATOM 606 O ASN B 62 2.408 -18.218 12.418 1.00 21.99 O ATOM 607 CB ASN B 62 2.096 -16.851 15.152 1.00 21.50 C ATOM 608 CG ASN B 62 2.754 -15.502 14.866 1.00 24.05 C ATOM 609 OD1 ASN B 62 3.924 -15.306 15.176 1.00 27.42 O ATOM 610 ND2 ASN B 62 2.007 -14.570 14.276 1.00 25.55 N ATOM 611 HA ASN B 62 0.253 -16.458 14.124 1.00 0.00 H ATOM 612 HB2 ASN B 62 1.627 -16.809 16.135 1.00 0.00 H ATOM 613 HB3 ASN B 62 2.866 -17.622 15.151 1.00 0.00 H ATOM 614 HD22 ASN B 62 1.018 -14.776 14.029 1.00 0.00 H ATOM 615 HD21 ASN B 62 2.413 -13.637 14.063 1.00 0.00 H ATOM 616 H ASN B 62 0.948 -19.192 15.009 1.00 0.00 H ATOM 617 N VAL B 63 1.391 -16.285 11.925 1.00 23.65 N ATOM 618 CA VAL B 63 1.936 -16.235 10.588 1.00 24.14 C ATOM 619 C VAL B 63 2.339 -14.798 10.318 1.00 26.48 C ATOM 620 O VAL B 63 2.097 -13.915 11.144 1.00 26.54 O ATOM 621 CB VAL B 63 0.884 -16.680 9.549 1.00 23.07 C ATOM 622 CG1 VAL B 63 0.560 -18.158 9.733 1.00 23.28 C ATOM 623 CG2 VAL B 63 -0.388 -15.839 9.697 1.00 23.55 C ATOM 624 HA VAL B 63 2.790 -16.908 10.508 1.00 0.00 H ATOM 625 HB VAL B 63 1.290 -16.531 8.549 1.00 0.00 H ATOM 626 HG11 VAL B 63 1.467 -18.747 9.599 1.00 0.00 H ATOM 627 HG12 VAL B 63 0.165 -18.320 10.736 1.00 0.00 H ATOM 628 HG13 VAL B 63 -0.183 -18.460 8.995 1.00 0.00 H ATOM 629 HG21 VAL B 63 -0.795 -15.972 10.699 1.00 0.00 H ATOM 630 HG22 VAL B 63 -0.148 -14.788 9.537 1.00 0.00 H ATOM 631 HG23 VAL B 63 -1.123 -16.161 8.959 1.00 0.00 H ATOM 632 H VAL B 63 0.766 -15.521 12.251 1.00 0.00 H ATOM 633 N ALA B 64 2.959 -14.564 9.165 1.00 28.85 N ATOM 634 CA ALA B 64 3.370 -13.213 8.797 1.00 27.07 C ATOM 635 C ALA B 64 2.227 -12.545 8.037 1.00 26.23 C ATOM 636 O ALA B 64 1.421 -13.209 7.385 1.00 24.50 O ATOM 637 CB ALA B 64 4.625 -13.261 7.931 1.00 21.94 C ATOM 638 HA ALA B 64 3.599 -12.639 9.695 1.00 0.00 H ATOM 639 HB1 ALA B 64 5.431 -13.740 8.487 1.00 0.00 H ATOM 640 HB2 ALA B 64 4.418 -13.831 7.025 1.00 0.00 H ATOM 641 HB3 ALA B 64 4.920 -12.246 7.664 1.00 0.00 H ATOM 642 H ALA B 64 3.153 -15.354 8.517 1.00 0.00 H ATOM 643 N CYS B 65 2.137 -11.229 8.149 1.00 29.68 N ATOM 644 CA CYS B 65 1.107 -10.486 7.442 1.00 32.52 C ATOM 645 C CYS B 65 1.667 -10.172 6.057 1.00 33.84 C ATOM 646 O CYS B 65 2.880 -10.233 5.848 1.00 33.53 O ATOM 647 CB CYS B 65 0.793 -9.186 8.181 1.00 29.13 C ATOM 648 SG CYS B 65 0.492 -9.407 9.969 1.00 30.75 S ATOM 649 HA CYS B 65 0.185 -11.064 7.375 1.00 0.00 H ATOM 650 HB2 CYS B 65 -0.097 -8.743 7.735 1.00 0.00 H ATOM 651 HB3 CYS B 65 1.636 -8.507 8.056 1.00 0.00 H ATOM 652 H CYS B 65 2.814 -10.719 8.752 1.00 0.00 H ATOM 653 N LYS B 66 0.790 -9.841 5.115 1.00 37.68 N ATOM 654 CA LYS B 66 1.220 -9.523 3.759 1.00 39.92 C ATOM 655 C LYS B 66 2.400 -8.569 3.814 1.00 42.33 C ATOM 656 O LYS B 66 3.457 -8.833 3.246 1.00 48.72 O ATOM 657 CB LYS B 66 0.085 -8.857 2.985 1.00 40.86 C ATOM 658 CG LYS B 66 -1.120 -9.736 2.756 1.00 48.77 C ATOM 659 CD LYS B 66 -2.252 -8.941 2.115 1.00 58.93 C ATOM 660 CE LYS B 66 -3.261 -8.446 3.147 1.00 62.92 C ATOM 661 NZ LYS B 66 -4.082 -7.295 2.658 1.00 67.77 N ATOM 662 HA LYS B 66 1.505 -10.448 3.257 1.00 0.00 H ATOM 663 HB2 LYS B 66 -0.237 -7.977 3.542 1.00 0.00 H ATOM 664 HB3 LYS B 66 0.471 -8.549 2.013 1.00 0.00 H ATOM 665 HG2 LYS B 66 -0.843 -10.559 2.098 1.00 0.00 H ATOM 666 HG3 LYS B 66 -1.459 -10.135 3.712 1.00 0.00 H ATOM 667 HD2 LYS B 66 -1.828 -8.081 1.596 1.00 0.00 H ATOM 668 HD3 LYS B 66 -2.767 -9.579 1.397 1.00 0.00 H ATOM 669 HE2 LYS B 66 -2.720 -8.132 4.040 1.00 0.00 H ATOM 670 HE3 LYS B 66 -3.931 -9.268 3.400 1.00 0.00 H ATOM 671 HZ1 LYS B 66 -3.455 -6.499 2.422 1.00 0.00 H ATOM 672 HZ2 LYS B 66 -4.612 -7.584 1.811 1.00 0.00 H ATOM 673 HZ3 LYS B 66 -4.748 -7.004 3.402 1.00 0.00 H ATOM 674 H LYS B 66 -0.223 -9.808 5.350 1.00 0.00 H ATOM 675 N ASN B 67 2.210 -7.460 4.515 1.00 42.03 N ATOM 676 CA ASN B 67 3.232 -6.432 4.631 1.00 44.23 C ATOM 677 C ASN B 67 4.567 -6.920 5.159 1.00 45.93 C ATOM 678 O ASN B 67 5.574 -6.219 5.056 1.00 50.02 O ATOM 679 CB ASN B 67 2.723 -5.309 5.521 1.00 46.33 C ATOM 680 CG ASN B 67 2.282 -5.805 6.883 1.00 50.43 C ATOM 681 OD1 ASN B 67 2.240 -7.007 7.130 1.00 55.95 O ATOM 682 ND2 ASN B 67 1.956 -4.879 7.777 1.00 48.87 N ATOM 683 HA ASN B 67 3.419 -6.086 3.614 1.00 0.00 H ATOM 684 HB2 ASN B 67 3.522 -4.580 5.656 1.00 0.00 H ATOM 685 HB3 ASN B 67 1.875 -4.831 5.031 1.00 0.00 H ATOM 686 HD22 ASN B 67 2.006 -3.871 7.524 1.00 0.00 H ATOM 687 HD21 ASN B 67 1.650 -5.161 8.730 1.00 0.00 H ATOM 688 H ASN B 67 1.300 -7.321 4.998 1.00 0.00 H ATOM 689 N GLY B 68 4.573 -8.115 5.736 1.00 47.04 N ATOM 690 CA GLY B 68 5.805 -8.656 6.282 1.00 46.24 C ATOM 691 C GLY B 68 5.866 -8.579 7.796 1.00 45.83 C ATOM 692 O GLY B 68 6.898 -8.888 8.394 1.00 47.36 O ATOM 693 HA3 GLY B 68 6.644 -8.094 5.871 1.00 0.00 H ATOM 694 HA2 GLY B 68 5.888 -9.701 5.983 1.00 0.00 H ATOM 695 H GLY B 68 3.693 -8.666 5.797 1.00 0.00 H ATOM 696 N GLN B 69 4.766 -8.158 8.420 1.00 44.86 N ATOM 697 CA GLN B 69 4.698 -8.056 9.874 1.00 42.58 C ATOM 698 C GLN B 69 4.428 -9.456 10.398 1.00 41.25 C ATOM 699 O GLN B 69 4.208 -10.376 9.612 1.00 39.60 O ATOM 700 CB GLN B 69 3.563 -7.117 10.291 1.00 41.40 C ATOM 701 CG GLN B 69 3.797 -5.665 9.923 1.00 39.58 C ATOM 702 CD GLN B 69 4.746 -4.972 10.870 1.00 38.51 C ATOM 703 OE1 GLN B 69 4.442 -4.787 12.049 1.00 36.97 O ATOM 704 NE2 GLN B 69 5.908 -4.584 10.359 1.00 38.11 N ATOM 705 HA GLN B 69 5.627 -7.653 10.278 1.00 0.00 H ATOM 706 HB2 GLN B 69 2.646 -7.450 9.805 1.00 0.00 H ATOM 707 HB3 GLN B 69 3.444 -7.182 11.373 1.00 0.00 H ATOM 708 HG2 GLN B 69 4.214 -5.622 8.917 1.00 0.00 H ATOM 709 HG3 GLN B 69 2.841 -5.142 9.941 1.00 0.00 H ATOM 710 HE22 GLN B 69 6.121 -4.762 9.357 1.00 0.00 H ATOM 711 HE21 GLN B 69 6.606 -4.102 10.961 1.00 0.00 H ATOM 712 H GLN B 69 3.933 -7.895 7.855 1.00 0.00 H ATOM 713 N THR B 70 4.451 -9.636 11.714 1.00 39.98 N ATOM 714 CA THR B 70 4.179 -10.960 12.257 1.00 42.65 C ATOM 715 C THR B 70 3.169 -11.025 13.390 1.00 37.52 C ATOM 716 O THR B 70 3.190 -11.962 14.191 1.00 35.58 O ATOM 717 CB THR B 70 5.454 -11.649 12.725 1.00 45.03 C ATOM 718 OG1 THR B 70 6.585 -11.000 12.141 1.00 51.37 O ATOM 719 CG2 THR B 70 5.443 -13.107 12.292 1.00 50.25 C ATOM 720 HA THR B 70 3.731 -11.476 11.408 1.00 0.00 H ATOM 721 HB THR B 70 5.511 -11.593 13.812 1.00 0.00 H ATOM 722 HG1 THR B 70 7.414 -11.448 12.445 1.00 0.00 H ATOM 723 HG23 THR B 70 4.582 -13.609 12.734 1.00 0.00 H ATOM 724 HG21 THR B 70 5.379 -13.161 11.205 1.00 0.00 H ATOM 725 HG22 THR B 70 6.360 -13.591 12.628 1.00 0.00 H ATOM 726 H THR B 70 4.661 -8.840 12.350 1.00 0.00 H ATOM 727 N ASN B 71 2.290 -10.033 13.462 1.00 34.00 N ATOM 728 CA ASN B 71 1.256 -10.029 14.488 1.00 31.08 C ATOM 729 C ASN B 71 -0.033 -10.544 13.857 1.00 27.61 C ATOM 730 O ASN B 71 -1.122 -10.067 14.171 1.00 25.62 O ATOM 731 CB ASN B 71 1.047 -8.619 15.064 1.00 34.12 C ATOM 732 CG ASN B 71 0.568 -7.618 14.030 1.00 36.58 C ATOM 733 OD1 ASN B 71 1.063 -7.585 12.901 1.00 35.72 O ATOM 734 ND2 ASN B 71 -0.398 -6.787 14.416 1.00 35.30 N ATOM 735 HA ASN B 71 1.558 -10.671 15.316 1.00 0.00 H ATOM 736 HB2 ASN B 71 0.306 -8.676 15.861 1.00 0.00 H ATOM 737 HB3 ASN B 71 1.994 -8.268 15.474 1.00 0.00 H ATOM 738 HD22 ASN B 71 -0.786 -6.852 15.379 1.00 0.00 H ATOM 739 HD21 ASN B 71 -0.765 -6.073 13.755 1.00 0.00 H ATOM 740 H ASN B 71 2.340 -9.250 12.779 1.00 0.00 H ATOM 741 N CYS B 72 0.114 -11.526 12.967 1.00 23.96 N ATOM 742 CA CYS B 72 -1.014 -12.122 12.261 1.00 21.83 C ATOM 743 C CYS B 72 -1.199 -13.567 12.679 1.00 19.69 C ATOM 744 O CYS B 72 -0.247 -14.236 13.061 1.00 19.77 O ATOM 745 CB CYS B 72 -0.800 -12.044 10.752 1.00 23.49 C ATOM 746 SG CYS B 72 -1.255 -10.434 10.015 1.00 27.55 S ATOM 747 HA CYS B 72 -1.912 -11.562 12.521 1.00 0.00 H ATOM 748 HB2 CYS B 72 -1.403 -12.819 10.280 1.00 0.00 H ATOM 749 HB3 CYS B 72 0.254 -12.230 10.546 1.00 0.00 H ATOM 750 H CYS B 72 1.071 -11.881 12.769 1.00 0.00 H ATOM 751 N TYR B 73 -2.440 -14.038 12.608 1.00 20.79 N ATOM 752 CA TYR B 73 -2.772 -15.394 13.012 1.00 19.65 C ATOM 753 C TYR B 73 -3.806 -16.035 12.097 1.00 21.53 C ATOM 754 O TYR B 73 -4.785 -15.398 11.707 1.00 23.68 O ATOM 755 CB TYR B 73 -3.309 -15.386 14.449 1.00 22.81 C ATOM 756 CG TYR B 73 -2.304 -14.911 15.459 1.00 21.07 C ATOM 757 CD1 TYR B 73 -1.622 -15.818 16.265 1.00 24.12 C ATOM 758 CD2 TYR B 73 -1.958 -13.563 15.543 1.00 22.44 C ATOM 759 CE1 TYR B 73 -0.606 -15.391 17.122 1.00 26.42 C ATOM 760 CE2 TYR B 73 -0.947 -13.126 16.391 1.00 23.90 C ATOM 761 CZ TYR B 73 -0.274 -14.042 17.173 1.00 26.23 C ATOM 762 OH TYR B 73 0.736 -13.608 17.996 1.00 32.96 O ATOM 763 HA TYR B 73 -1.858 -15.984 12.946 1.00 0.00 H ATOM 764 HB3 TYR B 73 -3.610 -16.400 14.711 1.00 0.00 H ATOM 765 HB2 TYR B 73 -4.178 -14.729 14.490 1.00 0.00 H ATOM 766 HD2 TYR B 73 -2.492 -12.836 14.931 1.00 0.00 H ATOM 767 HE2 TYR B 73 -0.688 -12.068 16.438 1.00 0.00 H ATOM 768 HE1 TYR B 73 -0.077 -16.110 17.747 1.00 0.00 H ATOM 769 HD1 TYR B 73 -1.885 -16.875 16.227 1.00 0.00 H ATOM 770 HH TYR B 73 1.115 -14.380 18.486 1.00 0.00 H ATOM 771 H TYR B 73 -3.196 -13.418 12.253 1.00 0.00 H ATOM 772 N GLN B 74 -3.584 -17.302 11.771 1.00 22.68 N ATOM 773 CA GLN B 74 -4.484 -18.046 10.909 1.00 19.23 C ATOM 774 C GLN B 74 -5.296 -19.011 11.760 1.00 18.32 C ATOM 775 O GLN B 74 -4.756 -19.680 12.642 1.00 19.53 O ATOM 776 CB GLN B 74 -3.675 -18.812 9.869 1.00 21.82 C ATOM 777 CG GLN B 74 -4.500 -19.707 8.980 1.00 28.33 C ATOM 778 CD GLN B 74 -3.691 -20.238 7.821 1.00 31.42 C ATOM 779 OE1 GLN B 74 -2.839 -19.539 7.279 1.00 34.74 O ATOM 780 NE2 GLN B 74 -3.953 -21.479 7.432 1.00 38.20 N ATOM 781 HA GLN B 74 -5.159 -17.363 10.394 1.00 0.00 H ATOM 782 HB2 GLN B 74 -3.156 -18.089 9.239 1.00 0.00 H ATOM 783 HB3 GLN B 74 -2.944 -19.429 10.391 1.00 0.00 H ATOM 784 HG2 GLN B 74 -4.869 -20.547 9.568 1.00 0.00 H ATOM 785 HG3 GLN B 74 -5.345 -19.138 8.591 1.00 0.00 H ATOM 786 HE22 GLN B 74 -4.684 -22.034 7.921 1.00 0.00 H ATOM 787 HE21 GLN B 74 -3.427 -21.897 6.638 1.00 0.00 H ATOM 788 H GLN B 74 -2.738 -17.777 12.145 1.00 0.00 H ATOM 789 N SER B 75 -6.598 -19.065 11.506 1.00 18.16 N ATOM 790 CA SER B 75 -7.477 -19.938 12.263 1.00 18.40 C ATOM 791 C SER B 75 -7.173 -21.395 11.964 1.00 20.60 C ATOM 792 O SER B 75 -6.843 -21.747 10.828 1.00 20.19 O ATOM 793 CB SER B 75 -8.943 -19.640 11.929 1.00 18.46 C ATOM 794 OG SER B 75 -9.200 -19.817 10.548 1.00 20.22 O ATOM 795 HA SER B 75 -7.306 -19.752 13.323 1.00 0.00 H ATOM 796 HB2 SER B 75 -9.168 -18.609 12.204 1.00 0.00 H ATOM 797 HB3 SER B 75 -9.582 -20.314 12.499 1.00 0.00 H ATOM 798 HG SER B 75 -9.002 -20.753 10.294 1.00 0.00 H ATOM 799 H SER B 75 -6.996 -18.471 10.751 1.00 0.00 H ATOM 800 N TYR B 76 -7.278 -22.243 12.984 1.00 17.01 N ATOM 801 CA TYR B 76 -7.038 -23.678 12.812 1.00 19.03 C ATOM 802 C TYR B 76 -8.104 -24.248 11.884 1.00 17.38 C ATOM 803 O TYR B 76 -7.838 -25.123 11.063 1.00 18.33 O ATOM 804 CB TYR B 76 -7.120 -24.407 14.158 1.00 21.01 C ATOM 805 CG TYR B 76 -5.931 -24.183 15.057 1.00 20.10 C ATOM 806 CD1 TYR B 76 -4.653 -24.549 14.652 1.00 25.93 C ATOM 807 CD2 TYR B 76 -6.081 -23.593 16.315 1.00 18.85 C ATOM 808 CE1 TYR B 76 -3.552 -24.332 15.475 1.00 25.45 C ATOM 809 CE2 TYR B 76 -4.985 -23.373 17.142 1.00 16.63 C ATOM 810 CZ TYR B 76 -3.725 -23.742 16.717 1.00 19.80 C ATOM 811 OH TYR B 76 -2.625 -23.509 17.516 1.00 26.89 O ATOM 812 HA TYR B 76 -6.042 -23.819 12.392 1.00 0.00 H ATOM 813 HB3 TYR B 76 -7.205 -25.476 13.963 1.00 0.00 H ATOM 814 HB2 TYR B 76 -8.013 -24.062 14.680 1.00 0.00 H ATOM 815 HD2 TYR B 76 -7.075 -23.300 16.654 1.00 0.00 H ATOM 816 HE2 TYR B 76 -5.120 -22.912 18.120 1.00 0.00 H ATOM 817 HE1 TYR B 76 -2.556 -24.625 15.144 1.00 0.00 H ATOM 818 HD1 TYR B 76 -4.511 -25.013 13.676 1.00 0.00 H ATOM 819 HH TYR B 76 -1.810 -23.835 17.057 1.00 0.00 H ATOM 820 H TYR B 76 -7.536 -21.879 13.924 1.00 0.00 H ATOM 821 N SER B 77 -9.322 -23.741 12.035 1.00 19.89 N ATOM 822 CA SER B 77 -10.453 -24.188 11.227 1.00 22.97 C ATOM 823 C SER B 77 -10.985 -23.137 10.249 1.00 21.26 C ATOM 824 O SER B 77 -10.617 -21.960 10.295 1.00 19.57 O ATOM 825 CB SER B 77 -11.594 -24.635 12.146 1.00 17.75 C ATOM 826 OG SER B 77 -12.191 -23.519 12.779 1.00 15.31 O ATOM 827 HA SER B 77 -10.079 -25.013 10.621 1.00 0.00 H ATOM 828 HB2 SER B 77 -11.199 -25.309 12.906 1.00 0.00 H ATOM 829 HB3 SER B 77 -12.347 -25.157 11.555 1.00 0.00 H ATOM 830 HG SER B 77 -11.511 -23.045 13.319 1.00 0.00 H ATOM 831 H SER B 77 -9.475 -23.003 12.751 1.00 0.00 H ATOM 832 N THR B 78 -11.859 -23.590 9.359 1.00 24.46 N ATOM 833 CA THR B 78 -12.481 -22.714 8.380 1.00 23.26 C ATOM 834 C THR B 78 -13.744 -22.155 9.031 1.00 21.57 C ATOM 835 O THR B 78 -14.353 -22.796 9.893 1.00 23.08 O ATOM 836 CB THR B 78 -12.857 -23.476 7.083 1.00 24.39 C ATOM 837 OG1 THR B 78 -13.920 -24.397 7.353 1.00 27.43 O ATOM 838 CG2 THR B 78 -11.661 -24.238 6.549 1.00 22.54 C ATOM 839 HA THR B 78 -11.785 -21.925 8.094 1.00 0.00 H ATOM 840 HB THR B 78 -13.178 -22.750 6.337 1.00 0.00 H ATOM 841 HG1 THR B 78 -14.710 -23.900 7.682 1.00 0.00 H ATOM 842 HG23 THR B 78 -10.850 -23.540 6.342 1.00 0.00 H ATOM 843 HG21 THR B 78 -11.335 -24.966 7.291 1.00 0.00 H ATOM 844 HG22 THR B 78 -11.941 -24.754 5.631 1.00 0.00 H ATOM 845 H THR B 78 -12.106 -24.600 9.362 1.00 0.00 H ATOM 846 N MET B 79 -14.136 -20.960 8.613 1.00 20.28 N ATOM 847 CA MET B 79 -15.306 -20.305 9.162 1.00 16.87 C ATOM 848 C MET B 79 -16.205 -19.829 8.029 1.00 17.52 C ATOM 849 O MET B 79 -15.747 -19.638 6.910 1.00 16.37 O ATOM 850 CB MET B 79 -14.864 -19.121 10.025 1.00 21.59 C ATOM 851 CG MET B 79 -13.966 -19.510 11.204 1.00 12.99 C ATOM 852 SD MET B 79 -13.442 -18.065 12.154 1.00 24.75 S ATOM 853 CE MET B 79 -12.864 -18.812 13.672 1.00 20.72 C ATOM 854 HA MET B 79 -15.866 -21.007 9.781 1.00 0.00 H ATOM 855 HB2 MET B 79 -14.317 -18.421 9.393 1.00 0.00 H ATOM 856 HB3 MET B 79 -15.755 -18.632 10.419 1.00 0.00 H ATOM 857 HG2 MET B 79 -13.082 -20.020 10.821 1.00 0.00 H ATOM 858 HG3 MET B 79 -14.517 -20.183 11.861 1.00 0.00 H ATOM 859 HE1 MET B 79 -13.682 -19.359 14.141 1.00 0.00 H ATOM 860 HE2 MET B 79 -12.047 -19.498 13.450 1.00 0.00 H ATOM 861 HE3 MET B 79 -12.512 -18.033 14.348 1.00 0.00 H ATOM 862 H MET B 79 -13.589 -20.479 7.871 1.00 0.00 H ATOM 863 N SER B 80 -17.494 -19.664 8.312 1.00 19.33 N ATOM 864 CA SER B 80 -18.424 -19.196 7.295 1.00 19.04 C ATOM 865 C SER B 80 -18.183 -17.701 7.099 1.00 21.27 C ATOM 866 O SER B 80 -18.185 -16.928 8.061 1.00 20.66 O ATOM 867 CB SER B 80 -19.869 -19.459 7.748 1.00 20.18 C ATOM 868 OG SER B 80 -20.832 -18.842 6.907 1.00 26.11 O ATOM 869 HA SER B 80 -18.268 -19.725 6.355 1.00 0.00 H ATOM 870 HB2 SER B 80 -19.992 -19.073 8.760 1.00 0.00 H ATOM 871 HB3 SER B 80 -20.044 -20.535 7.747 1.00 0.00 H ATOM 872 HG SER B 80 -20.736 -19.191 5.986 1.00 0.00 H ATOM 873 H SER B 80 -17.841 -19.872 9.270 1.00 0.00 H ATOM 874 N ILE B 81 -17.961 -17.291 5.858 1.00 19.93 N ATOM 875 CA ILE B 81 -17.720 -15.886 5.574 1.00 20.16 C ATOM 876 C ILE B 81 -18.450 -15.505 4.306 1.00 19.55 C ATOM 877 O ILE B 81 -18.736 -16.355 3.468 1.00 20.47 O ATOM 878 CB ILE B 81 -16.202 -15.563 5.374 1.00 21.05 C ATOM 879 CG1 ILE B 81 -15.658 -16.308 4.160 1.00 23.96 C ATOM 880 CG2 ILE B 81 -15.400 -15.950 6.616 1.00 24.07 C ATOM 881 CD1 ILE B 81 -14.710 -15.487 3.330 1.00 30.20 C ATOM 882 HA ILE B 81 -18.078 -15.320 6.434 1.00 0.00 H ATOM 883 HB ILE B 81 -16.102 -14.490 5.211 1.00 0.00 H ATOM 884 HG12 ILE B 81 -15.132 -17.197 4.507 1.00 0.00 H ATOM 885 HG13 ILE B 81 -16.498 -16.606 3.532 1.00 0.00 H ATOM 886 HD11 ILE B 81 -15.225 -14.598 2.965 1.00 0.00 H ATOM 887 HD12 ILE B 81 -13.858 -15.190 3.941 1.00 0.00 H ATOM 888 HD13 ILE B 81 -14.363 -16.080 2.484 1.00 0.00 H ATOM 889 HG21 ILE B 81 -15.770 -15.390 7.475 1.00 0.00 H ATOM 890 HG22 ILE B 81 -15.512 -17.018 6.801 1.00 0.00 H ATOM 891 HG23 ILE B 81 -14.348 -15.717 6.455 1.00 0.00 H ATOM 892 H ILE B 81 -17.959 -17.981 5.080 1.00 0.00 H ATOM 893 N THR B 82 -18.764 -14.221 4.177 1.00 21.30 N ATOM 894 CA THR B 82 -19.429 -13.717 2.990 1.00 17.47 C ATOM 895 C THR B 82 -18.563 -12.612 2.415 1.00 15.95 C ATOM 896 O THR B 82 -18.309 -11.614 3.085 1.00 16.47 O ATOM 897 CB THR B 82 -20.811 -13.131 3.305 1.00 18.89 C ATOM 898 OG1 THR B 82 -21.657 -14.160 3.833 1.00 20.51 O ATOM 899 CG2 THR B 82 -21.437 -12.557 2.026 1.00 17.12 C ATOM 900 HA THR B 82 -19.568 -14.543 2.292 1.00 0.00 H ATOM 901 HB THR B 82 -20.704 -12.334 4.041 1.00 0.00 H ATOM 902 HG1 THR B 82 -21.255 -14.523 4.662 1.00 0.00 H ATOM 903 HG23 THR B 82 -20.792 -11.775 1.627 1.00 0.00 H ATOM 904 HG21 THR B 82 -21.546 -13.352 1.288 1.00 0.00 H ATOM 905 HG22 THR B 82 -22.416 -12.138 2.258 1.00 0.00 H ATOM 906 H THR B 82 -18.528 -13.561 4.945 1.00 0.00 H ATOM 907 N ASP B 83 -18.102 -12.800 1.183 1.00 17.25 N ATOM 908 CA ASP B 83 -17.273 -11.800 0.515 1.00 18.95 C ATOM 909 C ASP B 83 -18.140 -10.851 -0.301 1.00 17.66 C ATOM 910 O ASP B 83 -19.004 -11.278 -1.068 1.00 20.96 O ATOM 911 CB ASP B 83 -16.250 -12.469 -0.406 1.00 14.60 C ATOM 912 CG ASP B 83 -15.200 -13.224 0.359 1.00 16.97 C ATOM 913 OD1 ASP B 83 -14.605 -12.642 1.294 1.00 19.16 O ATOM 914 OD2 ASP B 83 -14.972 -14.404 0.031 1.00 17.87 O ATOM 915 HA ASP B 83 -16.744 -11.237 1.284 1.00 0.00 H ATOM 916 HB2 ASP B 83 -16.772 -13.164 -1.064 1.00 0.00 H ATOM 917 HB3 ASP B 83 -15.762 -11.700 -1.005 1.00 0.00 H ATOM 918 H ASP B 83 -18.337 -13.681 0.682 1.00 0.00 H ATOM 919 N CYS B 84 -17.901 -9.558 -0.122 1.00 18.79 N ATOM 920 CA CYS B 84 -18.645 -8.531 -0.836 1.00 20.45 C ATOM 921 C CYS B 84 -17.694 -7.825 -1.784 1.00 20.38 C ATOM 922 O CYS B 84 -16.756 -7.169 -1.342 1.00 23.50 O ATOM 923 CB CYS B 84 -19.231 -7.526 0.154 1.00 20.32 C ATOM 924 SG CYS B 84 -20.489 -8.261 1.242 1.00 20.10 S ATOM 925 HA CYS B 84 -19.464 -8.984 -1.394 1.00 0.00 H ATOM 926 HB2 CYS B 84 -19.688 -6.711 -0.406 1.00 0.00 H ATOM 927 HB3 CYS B 84 -18.423 -7.133 0.771 1.00 0.00 H ATOM 928 H CYS B 84 -17.160 -9.270 0.548 1.00 0.00 H ATOM 929 N ARG B 85 -17.931 -7.974 -3.086 1.00 19.80 N ATOM 930 CA ARG B 85 -17.082 -7.355 -4.104 1.00 16.94 C ATOM 931 C ARG B 85 -17.856 -6.361 -4.971 1.00 19.48 C ATOM 932 O ARG B 85 -18.908 -6.689 -5.515 1.00 20.15 O ATOM 933 CB ARG B 85 -16.456 -8.433 -4.989 1.00 10.50 C ATOM 934 CG ARG B 85 -15.231 -7.959 -5.749 1.00 3.28 C ATOM 935 CD ARG B 85 -13.959 -8.473 -5.112 1.00 2.00 C ATOM 936 NE ARG B 85 -12.826 -7.630 -5.456 1.00 2.00 N ATOM 937 CZ ARG B 85 -11.568 -7.899 -5.141 1.00 2.00 C ATOM 938 NH1 ARG B 85 -10.606 -7.071 -5.498 1.00 2.00 N ATOM 939 NH2 ARG B 85 -11.273 -9.004 -4.474 1.00 2.00 N ATOM 940 HA ARG B 85 -16.300 -6.802 -3.584 1.00 0.00 H ATOM 941 HB2 ARG B 85 -16.166 -9.273 -4.357 1.00 0.00 H ATOM 942 HB3 ARG B 85 -17.203 -8.764 -5.711 1.00 0.00 H ATOM 943 HG2 ARG B 85 -15.287 -8.322 -6.775 1.00 0.00 H ATOM 944 HG3 ARG B 85 -15.213 -6.869 -5.751 1.00 0.00 H ATOM 945 HD2 ARG B 85 -13.769 -9.487 -5.463 1.00 0.00 H ATOM 946 HD3 ARG B 85 -14.081 -8.482 -4.029 1.00 0.00 H ATOM 947 HE ARG B 85 -13.016 -6.756 -5.986 1.00 0.00 H ATOM 948 HH12 ARG B 85 -9.619 -7.283 -5.250 1.00 0.00 H ATOM 949 HH11 ARG B 85 -10.835 -6.206 -6.028 1.00 0.00 H ATOM 950 HH22 ARG B 85 -10.285 -9.214 -4.227 1.00 0.00 H ATOM 951 HH21 ARG B 85 -12.029 -9.662 -4.197 1.00 0.00 H ATOM 952 H ARG B 85 -18.744 -8.548 -3.388 1.00 0.00 H ATOM 953 N GLU B 86 -17.334 -5.142 -5.085 1.00 19.38 N ATOM 954 CA GLU B 86 -17.971 -4.111 -5.896 1.00 22.23 C ATOM 955 C GLU B 86 -17.924 -4.488 -7.378 1.00 24.62 C ATOM 956 O GLU B 86 -16.877 -4.886 -7.886 1.00 26.20 O ATOM 957 CB GLU B 86 -17.262 -2.764 -5.687 1.00 21.52 C ATOM 958 CG GLU B 86 -18.165 -1.562 -5.881 1.00 23.74 C ATOM 959 CD GLU B 86 -17.440 -0.234 -5.795 1.00 29.07 C ATOM 960 OE1 GLU B 86 -18.081 0.797 -6.097 1.00 30.01 O ATOM 961 OE2 GLU B 86 -16.242 -0.209 -5.431 1.00 24.68 O ATOM 962 HA GLU B 86 -19.012 -4.025 -5.586 1.00 0.00 H ATOM 963 HB2 GLU B 86 -16.867 -2.737 -4.672 1.00 0.00 H ATOM 964 HB3 GLU B 86 -16.439 -2.694 -6.398 1.00 0.00 H ATOM 965 HG2 GLU B 86 -18.631 -1.637 -6.863 1.00 0.00 H ATOM 966 HG3 GLU B 86 -18.937 -1.583 -5.111 1.00 0.00 H ATOM 967 H GLU B 86 -16.450 -4.919 -4.584 1.00 0.00 H ATOM 968 N THR B 87 -19.059 -4.375 -8.062 1.00 24.62 N ATOM 969 CA THR B 87 -19.109 -4.685 -9.483 1.00 29.21 C ATOM 970 C THR B 87 -18.254 -3.647 -10.215 1.00 30.35 C ATOM 971 O THR B 87 -17.932 -2.593 -9.662 1.00 27.83 O ATOM 972 CB THR B 87 -20.558 -4.638 -10.015 1.00 30.24 C ATOM 973 OG1 THR B 87 -21.018 -3.280 -10.069 1.00 32.20 O ATOM 974 CG2 THR B 87 -21.473 -5.427 -9.102 1.00 32.39 C ATOM 975 HA THR B 87 -18.731 -5.693 -9.651 1.00 0.00 H ATOM 976 HB THR B 87 -20.573 -5.072 -11.015 1.00 0.00 H ATOM 977 HG1 THR B 87 -21.947 -3.261 -10.411 1.00 0.00 H ATOM 978 HG23 THR B 87 -21.132 -6.461 -9.054 1.00 0.00 H ATOM 979 HG21 THR B 87 -21.453 -4.990 -8.104 1.00 0.00 H ATOM 980 HG22 THR B 87 -22.490 -5.396 -9.494 1.00 0.00 H ATOM 981 H THR B 87 -19.922 -4.061 -7.575 1.00 0.00 H ATOM 982 N GLY B 88 -17.879 -3.946 -11.453 1.00 31.24 N ATOM 983 CA GLY B 88 -17.051 -3.023 -12.214 1.00 32.04 C ATOM 984 C GLY B 88 -17.747 -1.729 -12.584 1.00 31.92 C ATOM 985 O GLY B 88 -17.110 -0.685 -12.733 1.00 30.96 O ATOM 986 HA3 GLY B 88 -16.740 -3.520 -13.133 1.00 0.00 H ATOM 987 HA2 GLY B 88 -16.171 -2.781 -11.618 1.00 0.00 H ATOM 988 H GLY B 88 -18.179 -4.845 -11.881 1.00 0.00 H ATOM 989 N SER B 89 -19.062 -1.799 -12.713 1.00 34.83 N ATOM 990 CA SER B 89 -19.865 -0.643 -13.077 1.00 42.10 C ATOM 991 C SER B 89 -20.293 0.182 -11.863 1.00 45.00 C ATOM 992 O SER B 89 -20.907 1.238 -12.013 1.00 49.63 O ATOM 993 CB SER B 89 -21.108 -1.110 -13.828 1.00 43.35 C ATOM 994 OG SER B 89 -21.778 -2.117 -13.084 1.00 48.43 O ATOM 995 HA SER B 89 -19.247 -0.003 -13.706 1.00 0.00 H ATOM 996 HB2 SER B 89 -20.814 -1.513 -14.797 1.00 0.00 H ATOM 997 HB3 SER B 89 -21.779 -0.264 -13.976 1.00 0.00 H ATOM 998 HG SER B 89 -22.582 -2.412 -13.580 1.00 0.00 H ATOM 999 H SER B 89 -19.536 -2.710 -12.549 1.00 0.00 H ATOM 1000 N SER B 90 -19.971 -0.291 -10.664 1.00 45.26 N ATOM 1001 CA SER B 90 -20.357 0.407 -9.437 1.00 40.20 C ATOM 1002 C SER B 90 -19.744 1.793 -9.290 1.00 38.00 C ATOM 1003 O SER B 90 -18.553 1.985 -9.536 1.00 35.51 O ATOM 1004 CB SER B 90 -19.992 -0.439 -8.220 1.00 36.89 C ATOM 1005 OG SER B 90 -20.478 0.147 -7.025 1.00 36.93 O ATOM 1006 HA SER B 90 -21.435 0.551 -9.503 1.00 0.00 H ATOM 1007 HB2 SER B 90 -18.907 -0.525 -8.159 1.00 0.00 H ATOM 1008 HB3 SER B 90 -20.428 -1.432 -8.333 1.00 0.00 H ATOM 1009 HG SER B 90 -20.081 1.047 -6.915 1.00 0.00 H ATOM 1010 H SER B 90 -19.432 -1.178 -10.596 1.00 0.00 H ATOM 1011 N LYS B 91 -20.578 2.753 -8.887 1.00 35.91 N ATOM 1012 CA LYS B 91 -20.148 4.133 -8.675 1.00 32.92 C ATOM 1013 C LYS B 91 -21.075 4.840 -7.684 1.00 28.19 C ATOM 1014 O LYS B 91 -22.292 4.751 -7.798 1.00 28.64 O ATOM 1015 CB LYS B 91 -20.136 4.896 -10.000 1.00 35.49 C ATOM 1016 CG LYS B 91 -19.314 6.173 -9.958 1.00 44.46 C ATOM 1017 CD LYS B 91 -20.056 7.364 -10.583 1.00 50.07 C ATOM 1018 CE LYS B 91 -19.410 8.704 -10.212 1.00 46.76 C ATOM 1019 NZ LYS B 91 -19.719 9.100 -8.805 1.00 42.94 N ATOM 1020 HA LYS B 91 -19.139 4.114 -8.263 1.00 0.00 H ATOM 1021 HB2 LYS B 91 -19.722 4.244 -10.770 1.00 0.00 H ATOM 1022 HB3 LYS B 91 -21.163 5.155 -10.258 1.00 0.00 H ATOM 1023 HG2 LYS B 91 -19.085 6.409 -8.919 1.00 0.00 H ATOM 1024 HG3 LYS B 91 -18.386 6.011 -10.506 1.00 0.00 H ATOM 1025 HD2 LYS B 91 -20.044 7.256 -11.668 1.00 0.00 H ATOM 1026 HD3 LYS B 91 -21.087 7.361 -10.230 1.00 0.00 H ATOM 1027 HE2 LYS B 91 -19.784 9.475 -10.886 1.00 0.00 H ATOM 1028 HE3 LYS B 91 -18.329 8.618 -10.325 1.00 0.00 H ATOM 1029 HZ1 LYS B 91 -20.749 9.191 -8.690 1.00 0.00 H ATOM 1030 HZ2 LYS B 91 -19.359 8.373 -8.154 1.00 0.00 H ATOM 1031 HZ3 LYS B 91 -19.264 10.011 -8.595 1.00 0.00 H ATOM 1032 H LYS B 91 -21.575 2.509 -8.717 1.00 0.00 H ATOM 1033 N TYR B 92 -20.492 5.535 -6.714 1.00 23.87 N ATOM 1034 CA TYR B 92 -21.260 6.255 -5.704 1.00 25.93 C ATOM 1035 C TYR B 92 -22.156 7.330 -6.318 1.00 27.80 C ATOM 1036 O TYR B 92 -21.751 8.035 -7.247 1.00 30.30 O ATOM 1037 CB TYR B 92 -20.312 6.906 -4.695 1.00 26.08 C ATOM 1038 CG TYR B 92 -21.023 7.524 -3.516 1.00 26.89 C ATOM 1039 CD1 TYR B 92 -21.334 6.762 -2.393 1.00 22.24 C ATOM 1040 CD2 TYR B 92 -21.415 8.862 -3.532 1.00 28.91 C ATOM 1041 CE1 TYR B 92 -22.017 7.313 -1.318 1.00 26.04 C ATOM 1042 CE2 TYR B 92 -22.103 9.424 -2.452 1.00 29.25 C ATOM 1043 CZ TYR B 92 -22.397 8.641 -1.355 1.00 29.45 C ATOM 1044 OH TYR B 92 -23.070 9.186 -0.294 1.00 30.28 O ATOM 1045 HA TYR B 92 -21.901 5.527 -5.206 1.00 0.00 H ATOM 1046 HB3 TYR B 92 -19.747 7.686 -5.205 1.00 0.00 H ATOM 1047 HB2 TYR B 92 -19.626 6.145 -4.324 1.00 0.00 H ATOM 1048 HD2 TYR B 92 -21.182 9.479 -4.400 1.00 0.00 H ATOM 1049 HE2 TYR B 92 -22.404 10.471 -2.477 1.00 0.00 H ATOM 1050 HE1 TYR B 92 -22.253 6.701 -0.448 1.00 0.00 H ATOM 1051 HD1 TYR B 92 -21.036 5.714 -2.358 1.00 0.00 H ATOM 1052 HH TYR B 92 -23.199 8.495 0.403 1.00 0.00 H ATOM 1053 H TYR B 92 -19.453 5.567 -6.673 1.00 0.00 H ATOM 1054 N PRO B 93 -23.375 7.501 -5.784 1.00 27.59 N ATOM 1055 CA PRO B 93 -24.026 6.798 -4.669 1.00 31.40 C ATOM 1056 C PRO B 93 -24.597 5.397 -4.947 1.00 35.49 C ATOM 1057 O PRO B 93 -25.038 4.706 -4.023 1.00 37.47 O ATOM 1058 CB PRO B 93 -25.125 7.770 -4.246 1.00 28.62 C ATOM 1059 CG PRO B 93 -25.510 8.438 -5.511 1.00 25.93 C ATOM 1060 CD PRO B 93 -24.240 8.565 -6.324 1.00 27.20 C ATOM 1061 HA PRO B 93 -23.281 6.564 -3.908 1.00 0.00 H ATOM 1062 HD3 PRO B 93 -24.438 8.405 -7.384 1.00 0.00 H ATOM 1063 HD2 PRO B 93 -23.785 9.545 -6.185 1.00 0.00 H ATOM 1064 HG3 PRO B 93 -25.928 9.424 -5.306 1.00 0.00 H ATOM 1065 HG2 PRO B 93 -26.244 7.837 -6.048 1.00 0.00 H ATOM 1066 HB2 PRO B 93 -25.972 7.236 -3.815 1.00 0.00 H ATOM 1067 HB3 PRO B 93 -24.747 8.493 -3.523 1.00 0.00 H ATOM 1068 N ASN B 94 -24.596 4.979 -6.207 1.00 33.45 N ATOM 1069 CA ASN B 94 -25.138 3.677 -6.553 1.00 34.08 C ATOM 1070 C ASN B 94 -24.113 2.556 -6.461 1.00 32.08 C ATOM 1071 O ASN B 94 -23.674 2.025 -7.479 1.00 36.80 O ATOM 1072 CB ASN B 94 -25.727 3.753 -7.954 1.00 40.92 C ATOM 1073 CG ASN B 94 -26.300 5.122 -8.255 1.00 51.22 C ATOM 1074 OD1 ASN B 94 -27.334 5.500 -7.700 1.00 56.73 O ATOM 1075 ND2 ASN B 94 -25.627 5.883 -9.125 1.00 53.47 N ATOM 1076 HA ASN B 94 -25.911 3.431 -5.825 1.00 0.00 H ATOM 1077 HB2 ASN B 94 -24.943 3.532 -8.678 1.00 0.00 H ATOM 1078 HB3 ASN B 94 -26.521 3.012 -8.043 1.00 0.00 H ATOM 1079 HD22 ASN B 94 -24.759 5.522 -9.569 1.00 0.00 H ATOM 1080 HD21 ASN B 94 -25.972 6.836 -9.358 1.00 0.00 H ATOM 1081 H ASN B 94 -24.204 5.589 -6.952 1.00 0.00 H ATOM 1082 N CYS B 95 -23.732 2.195 -5.237 1.00 31.34 N ATOM 1083 CA CYS B 95 -22.760 1.120 -5.018 1.00 27.04 C ATOM 1084 C CYS B 95 -23.425 -0.228 -5.303 1.00 27.94 C ATOM 1085 O CYS B 95 -24.610 -0.426 -5.011 1.00 26.49 O ATOM 1086 CB CYS B 95 -22.247 1.117 -3.571 1.00 24.81 C ATOM 1087 SG CYS B 95 -21.619 2.697 -2.923 1.00 23.46 S ATOM 1088 HA CYS B 95 -21.916 1.285 -5.688 1.00 0.00 H ATOM 1089 HB2 CYS B 95 -21.438 0.389 -3.509 1.00 0.00 H ATOM 1090 HB3 CYS B 95 -23.069 0.800 -2.929 1.00 0.00 H ATOM 1091 H CYS B 95 -24.135 2.689 -4.415 1.00 0.00 H ATOM 1092 N ALA B 96 -22.661 -1.154 -5.873 1.00 25.12 N ATOM 1093 CA ALA B 96 -23.187 -2.476 -6.191 1.00 24.05 C ATOM 1094 C ALA B 96 -22.196 -3.549 -5.770 1.00 21.57 C ATOM 1095 O ALA B 96 -20.996 -3.404 -5.972 1.00 16.72 O ATOM 1096 CB ALA B 96 -23.474 -2.584 -7.672 1.00 28.24 C ATOM 1097 HA ALA B 96 -24.118 -2.622 -5.643 1.00 0.00 H ATOM 1098 HB1 ALA B 96 -24.209 -1.830 -7.954 1.00 0.00 H ATOM 1099 HB2 ALA B 96 -22.553 -2.423 -8.232 1.00 0.00 H ATOM 1100 HB3 ALA B 96 -23.866 -3.577 -7.893 1.00 0.00 H ATOM 1101 H ALA B 96 -21.670 -0.932 -6.096 1.00 0.00 H ATOM 1102 N TYR B 97 -22.713 -4.626 -5.194 1.00 21.39 N ATOM 1103 CA TYR B 97 -21.864 -5.702 -4.723 1.00 22.32 C ATOM 1104 C TYR B 97 -22.197 -7.095 -5.205 1.00 22.92 C ATOM 1105 O TYR B 97 -23.360 -7.458 -5.403 1.00 23.40 O ATOM 1106 CB TYR B 97 -21.820 -5.697 -3.187 1.00 17.55 C ATOM 1107 CG TYR B 97 -21.131 -4.471 -2.664 1.00 16.84 C ATOM 1108 CD1 TYR B 97 -19.744 -4.424 -2.572 1.00 17.04 C ATOM 1109 CD2 TYR B 97 -21.852 -3.315 -2.377 1.00 16.40 C ATOM 1110 CE1 TYR B 97 -19.084 -3.254 -2.219 1.00 19.95 C ATOM 1111 CE2 TYR B 97 -21.204 -2.131 -2.022 1.00 20.86 C ATOM 1112 CZ TYR B 97 -19.820 -2.106 -1.951 1.00 19.68 C ATOM 1113 OH TYR B 97 -19.171 -0.934 -1.635 1.00 17.83 O ATOM 1114 HA TYR B 97 -20.893 -5.482 -5.167 1.00 0.00 H ATOM 1115 HB3 TYR B 97 -21.281 -6.580 -2.844 1.00 0.00 H ATOM 1116 HB2 TYR B 97 -22.840 -5.723 -2.802 1.00 0.00 H ATOM 1117 HD2 TYR B 97 -22.941 -3.335 -2.430 1.00 0.00 H ATOM 1118 HE2 TYR B 97 -21.782 -1.233 -1.802 1.00 0.00 H ATOM 1119 HE1 TYR B 97 -17.996 -3.236 -2.153 1.00 0.00 H ATOM 1120 HD1 TYR B 97 -19.164 -5.323 -2.781 1.00 0.00 H ATOM 1121 HH TYR B 97 -18.194 -1.091 -1.627 1.00 0.00 H ATOM 1122 H TYR B 97 -23.744 -4.700 -5.078 1.00 0.00 H ATOM 1123 N LYS B 98 -21.134 -7.868 -5.387 1.00 22.80 N ATOM 1124 CA LYS B 98 -21.219 -9.251 -5.804 1.00 25.61 C ATOM 1125 C LYS B 98 -21.041 -10.040 -4.510 1.00 23.36 C ATOM 1126 O LYS B 98 -20.027 -9.903 -3.823 1.00 19.51 O ATOM 1127 CB LYS B 98 -20.090 -9.565 -6.787 1.00 33.21 C ATOM 1128 CG LYS B 98 -20.435 -10.636 -7.806 1.00 42.04 C ATOM 1129 CD LYS B 98 -19.501 -11.829 -7.677 1.00 50.31 C ATOM 1130 CE LYS B 98 -20.083 -13.059 -8.353 1.00 52.39 C ATOM 1131 NZ LYS B 98 -19.800 -14.277 -7.553 1.00 56.50 N ATOM 1132 HA LYS B 98 -22.155 -9.490 -6.309 1.00 0.00 H ATOM 1133 HB2 LYS B 98 -19.839 -8.650 -7.323 1.00 0.00 H ATOM 1134 HB3 LYS B 98 -19.223 -9.901 -6.217 1.00 0.00 H ATOM 1135 HG2 LYS B 98 -21.461 -10.966 -7.643 1.00 0.00 H ATOM 1136 HG3 LYS B 98 -20.344 -10.218 -8.808 1.00 0.00 H ATOM 1137 HD2 LYS B 98 -18.546 -11.585 -8.143 1.00 0.00 H ATOM 1138 HD3 LYS B 98 -19.344 -12.045 -6.620 1.00 0.00 H ATOM 1139 HE2 LYS B 98 -19.639 -13.168 -9.342 1.00 0.00 H ATOM 1140 HE3 LYS B 98 -21.162 -12.937 -8.452 1.00 0.00 H ATOM 1141 HZ1 LYS B 98 -18.771 -14.398 -7.460 1.00 0.00 H ATOM 1142 HZ2 LYS B 98 -20.225 -14.177 -6.609 1.00 0.00 H ATOM 1143 HZ3 LYS B 98 -20.206 -15.107 -8.031 1.00 0.00 H ATOM 1144 H LYS B 98 -20.192 -7.459 -5.222 1.00 0.00 H ATOM 1145 N THR B 99 -22.038 -10.854 -4.177 1.00 24.30 N ATOM 1146 CA THR B 99 -22.016 -11.653 -2.958 1.00 25.98 C ATOM 1147 C THR B 99 -21.461 -13.073 -3.181 1.00 27.63 C ATOM 1148 O THR B 99 -21.961 -13.822 -4.021 1.00 27.24 O ATOM 1149 CB THR B 99 -23.442 -11.759 -2.342 1.00 25.57 C ATOM 1150 OG1 THR B 99 -24.021 -10.446 -2.224 1.00 20.60 O ATOM 1151 CG2 THR B 99 -23.387 -12.429 -0.958 1.00 18.52 C ATOM 1152 HA THR B 99 -21.346 -11.135 -2.271 1.00 0.00 H ATOM 1153 HB THR B 99 -24.059 -12.371 -3.000 1.00 0.00 H ATOM 1154 HG1 THR B 99 -23.451 -9.887 -1.638 1.00 0.00 H ATOM 1155 HG23 THR B 99 -22.948 -13.422 -1.054 1.00 0.00 H ATOM 1156 HG21 THR B 99 -22.777 -11.824 -0.287 1.00 0.00 H ATOM 1157 HG22 THR B 99 -24.397 -12.514 -0.556 1.00 0.00 H ATOM 1158 H THR B 99 -22.862 -10.923 -4.808 1.00 0.00 H ATOM 1159 N THR B 100 -20.417 -13.421 -2.429 1.00 29.60 N ATOM 1160 CA THR B 100 -19.779 -14.736 -2.523 1.00 29.58 C ATOM 1161 C THR B 100 -19.660 -15.384 -1.149 1.00 29.52 C ATOM 1162 O THR B 100 -18.795 -15.012 -0.360 1.00 29.66 O ATOM 1163 CB THR B 100 -18.351 -14.649 -3.108 1.00 28.04 C ATOM 1164 OG1 THR B 100 -18.402 -14.179 -4.458 1.00 27.13 O ATOM 1165 CG2 THR B 100 -17.697 -16.017 -3.100 1.00 32.76 C ATOM 1166 HA THR B 100 -20.414 -15.329 -3.181 1.00 0.00 H ATOM 1167 HB THR B 100 -17.772 -13.959 -2.494 1.00 0.00 H ATOM 1168 HG1 THR B 100 -18.818 -13.281 -4.478 1.00 0.00 H ATOM 1169 HG23 THR B 100 -17.650 -16.390 -2.077 1.00 0.00 H ATOM 1170 HG21 THR B 100 -18.284 -16.702 -3.712 1.00 0.00 H ATOM 1171 HG22 THR B 100 -16.688 -15.939 -3.506 1.00 0.00 H ATOM 1172 H THR B 100 -20.040 -12.731 -1.748 1.00 0.00 H ATOM 1173 N GLN B 101 -20.531 -16.350 -0.872 1.00 28.01 N ATOM 1174 CA GLN B 101 -20.508 -17.061 0.402 1.00 28.33 C ATOM 1175 C GLN B 101 -19.440 -18.163 0.384 1.00 26.81 C ATOM 1176 O GLN B 101 -19.225 -18.810 -0.635 1.00 27.36 O ATOM 1177 CB GLN B 101 -21.884 -17.662 0.699 1.00 24.33 C ATOM 1178 CG GLN B 101 -21.892 -18.629 1.880 1.00 29.31 C ATOM 1179 CD GLN B 101 -21.620 -17.939 3.211 1.00 32.62 C ATOM 1180 OE1 GLN B 101 -21.022 -18.525 4.123 1.00 30.24 O ATOM 1181 NE2 GLN B 101 -22.061 -16.686 3.325 1.00 31.19 N ATOM 1182 HA GLN B 101 -20.258 -16.350 1.190 1.00 0.00 H ATOM 1183 HB2 GLN B 101 -22.575 -16.848 0.916 1.00 0.00 H ATOM 1184 HB3 GLN B 101 -22.224 -18.198 -0.187 1.00 0.00 H ATOM 1185 HG2 GLN B 101 -22.869 -19.110 1.930 1.00 0.00 H ATOM 1186 HG3 GLN B 101 -21.124 -19.385 1.716 1.00 0.00 H ATOM 1187 HE22 GLN B 101 -22.559 -16.236 2.531 1.00 0.00 H ATOM 1188 HE21 GLN B 101 -21.907 -16.159 4.208 1.00 0.00 H ATOM 1189 H GLN B 101 -21.247 -16.605 -1.582 1.00 0.00 H ATOM 1190 N ALA B 102 -18.787 -18.391 1.518 1.00 27.30 N ATOM 1191 CA ALA B 102 -17.740 -19.403 1.578 1.00 27.01 C ATOM 1192 C ALA B 102 -17.292 -19.814 2.984 1.00 25.71 C ATOM 1193 O ALA B 102 -17.647 -19.196 3.986 1.00 24.82 O ATOM 1194 CB ALA B 102 -16.525 -18.921 0.773 1.00 26.15 C ATOM 1195 HA ALA B 102 -18.184 -20.302 1.150 1.00 0.00 H ATOM 1196 HB1 ALA B 102 -16.819 -18.759 -0.264 1.00 0.00 H ATOM 1197 HB2 ALA B 102 -16.157 -17.987 1.198 1.00 0.00 H ATOM 1198 HB3 ALA B 102 -15.740 -19.676 0.816 1.00 0.00 H ATOM 1199 H ALA B 102 -19.025 -17.843 2.369 1.00 0.00 H ATOM 1200 N ASN B 103 -16.501 -20.881 3.024 1.00 28.96 N ATOM 1201 CA ASN B 103 -15.933 -21.416 4.254 1.00 28.73 C ATOM 1202 C ASN B 103 -14.429 -21.380 4.056 1.00 26.98 C ATOM 1203 O ASN B 103 -13.894 -22.093 3.221 1.00 28.85 O ATOM 1204 CB ASN B 103 -16.371 -22.862 4.471 1.00 36.14 C ATOM 1205 CG ASN B 103 -17.849 -22.985 4.748 1.00 42.79 C ATOM 1206 OD1 ASN B 103 -18.281 -22.935 5.901 1.00 43.84 O ATOM 1207 ND2 ASN B 103 -18.642 -23.147 3.687 1.00 50.00 N ATOM 1208 HA ASN B 103 -16.259 -20.838 5.119 1.00 0.00 H ATOM 1209 HB2 ASN B 103 -16.134 -23.437 3.576 1.00 0.00 H ATOM 1210 HB3 ASN B 103 -15.821 -23.270 5.319 1.00 0.00 H ATOM 1211 HD22 ASN B 103 -18.232 -23.183 2.732 1.00 0.00 H ATOM 1212 HD21 ASN B 103 -19.670 -23.237 3.815 1.00 0.00 H ATOM 1213 H ASN B 103 -16.275 -21.360 2.129 1.00 0.00 H ATOM 1214 N LYS B 104 -13.735 -20.545 4.806 1.00 26.25 N ATOM 1215 CA LYS B 104 -12.300 -20.468 4.641 1.00 25.54 C ATOM 1216 C LYS B 104 -11.618 -20.141 5.949 1.00 26.07 C ATOM 1217 O LYS B 104 -12.267 -19.727 6.903 1.00 25.77 O ATOM 1218 CB LYS B 104 -11.952 -19.393 3.616 1.00 30.82 C ATOM 1219 CG LYS B 104 -12.505 -19.645 2.231 1.00 39.03 C ATOM 1220 CD LYS B 104 -12.761 -18.336 1.495 1.00 47.21 C ATOM 1221 CE LYS B 104 -11.480 -17.778 0.886 1.00 52.49 C ATOM 1222 NZ LYS B 104 -11.580 -16.311 0.632 1.00 52.20 N ATOM 1223 HA LYS B 104 -11.950 -21.441 4.296 1.00 0.00 H ATOM 1224 HB2 LYS B 104 -12.347 -18.442 3.973 1.00 0.00 H ATOM 1225 HB3 LYS B 104 -10.866 -19.330 3.543 1.00 0.00 H ATOM 1226 HG2 LYS B 104 -11.788 -20.238 1.664 1.00 0.00 H ATOM 1227 HG3 LYS B 104 -13.442 -20.195 2.316 1.00 0.00 H ATOM 1228 HD2 LYS B 104 -13.484 -18.512 0.699 1.00 0.00 H ATOM 1229 HD3 LYS B 104 -13.166 -17.608 2.197 1.00 0.00 H ATOM 1230 HE2 LYS B 104 -11.287 -18.287 -0.058 1.00 0.00 H ATOM 1231 HE3 LYS B 104 -10.653 -17.962 1.572 1.00 0.00 H ATOM 1232 HZ1 LYS B 104 -12.363 -16.127 -0.028 1.00 0.00 H ATOM 1233 HZ2 LYS B 104 -11.758 -15.816 1.529 1.00 0.00 H ATOM 1234 HZ3 LYS B 104 -10.689 -15.971 0.218 1.00 0.00 H ATOM 1235 H LYS B 104 -14.215 -19.948 5.509 1.00 0.00 H ATOM 1236 N HIS B 105 -10.304 -20.340 5.983 1.00 23.74 N ATOM 1237 CA HIS B 105 -9.507 -20.038 7.156 1.00 25.41 C ATOM 1238 C HIS B 105 -9.319 -18.540 7.118 1.00 27.77 C ATOM 1239 O HIS B 105 -9.000 -17.981 6.065 1.00 29.06 O ATOM 1240 CB HIS B 105 -8.133 -20.697 7.067 1.00 26.41 C ATOM 1241 CG HIS B 105 -8.164 -22.189 7.177 1.00 31.13 C ATOM 1242 ND1 HIS B 105 -8.024 -22.845 8.378 1.00 32.78 N ATOM 1243 CD2 HIS B 105 -8.298 -23.148 6.233 1.00 31.39 C ATOM 1244 CE1 HIS B 105 -8.071 -24.150 8.170 1.00 32.81 C ATOM 1245 NE2 HIS B 105 -8.236 -24.360 6.877 1.00 31.98 N ATOM 1246 HA HIS B 105 -9.991 -20.396 8.065 1.00 0.00 H ATOM 1247 HB2 HIS B 105 -7.688 -20.433 6.108 1.00 0.00 H ATOM 1248 HB3 HIS B 105 -7.513 -20.307 7.874 1.00 0.00 H ATOM 1249 HD2 HIS B 105 -8.430 -22.989 5.163 1.00 0.00 H ATOM 1250 HE1 HIS B 105 -7.988 -24.921 8.936 1.00 0.00 H ATOM 1251 H HIS B 105 -9.832 -20.725 5.140 1.00 0.00 H ATOM 1252 N ILE B 106 -9.520 -17.876 8.248 1.00 24.17 N ATOM 1253 CA ILE B 106 -9.345 -16.435 8.258 1.00 22.06 C ATOM 1254 C ILE B 106 -7.985 -16.103 8.823 1.00 18.62 C ATOM 1255 O ILE B 106 -7.423 -16.876 9.586 1.00 19.79 O ATOM 1256 CB ILE B 106 -10.441 -15.720 9.092 1.00 21.63 C ATOM 1257 CG1 ILE B 106 -10.296 -16.078 10.574 1.00 21.21 C ATOM 1258 CG2 ILE B 106 -11.811 -16.114 8.574 1.00 21.26 C ATOM 1259 CD1 ILE B 106 -10.837 -15.021 11.538 1.00 20.64 C ATOM 1260 HA ILE B 106 -9.429 -16.081 7.231 1.00 0.00 H ATOM 1261 HB ILE B 106 -10.325 -14.641 8.992 1.00 0.00 H ATOM 1262 HG12 ILE B 106 -10.833 -17.009 10.754 1.00 0.00 H ATOM 1263 HG13 ILE B 106 -9.237 -16.223 10.787 1.00 0.00 H ATOM 1264 HD11 ILE B 106 -10.303 -14.083 11.384 1.00 0.00 H ATOM 1265 HD12 ILE B 106 -11.900 -14.870 11.350 1.00 0.00 H ATOM 1266 HD13 ILE B 106 -10.692 -15.359 12.564 1.00 0.00 H ATOM 1267 HG21 ILE B 106 -11.901 -15.820 7.528 1.00 0.00 H ATOM 1268 HG22 ILE B 106 -11.934 -17.193 8.661 1.00 0.00 H ATOM 1269 HG23 ILE B 106 -12.579 -15.610 9.161 1.00 0.00 H ATOM 1270 H ILE B 106 -9.799 -18.380 9.114 1.00 0.00 H ATOM 1271 N ILE B 107 -7.456 -14.958 8.420 1.00 15.51 N ATOM 1272 CA ILE B 107 -6.168 -14.504 8.901 1.00 17.47 C ATOM 1273 C ILE B 107 -6.420 -13.085 9.353 1.00 18.26 C ATOM 1274 O ILE B 107 -6.937 -12.270 8.592 1.00 18.30 O ATOM 1275 CB ILE B 107 -5.106 -14.558 7.789 1.00 18.09 C ATOM 1276 CG1 ILE B 107 -5.018 -15.988 7.260 1.00 16.52 C ATOM 1277 CG2 ILE B 107 -3.742 -14.111 8.322 1.00 16.15 C ATOM 1278 CD1 ILE B 107 -4.444 -16.094 5.884 1.00 22.11 C ATOM 1279 HA ILE B 107 -5.779 -15.131 9.703 1.00 0.00 H ATOM 1280 HB ILE B 107 -5.393 -13.881 6.984 1.00 0.00 H ATOM 1281 HG12 ILE B 107 -4.391 -16.567 7.939 1.00 0.00 H ATOM 1282 HG13 ILE B 107 -6.023 -16.411 7.246 1.00 0.00 H ATOM 1283 HD11 ILE B 107 -5.066 -15.531 5.188 1.00 0.00 H ATOM 1284 HD12 ILE B 107 -3.433 -15.687 5.881 1.00 0.00 H ATOM 1285 HD13 ILE B 107 -4.416 -17.141 5.583 1.00 0.00 H ATOM 1286 HG21 ILE B 107 -3.815 -13.088 8.691 1.00 0.00 H ATOM 1287 HG22 ILE B 107 -3.437 -14.771 9.134 1.00 0.00 H ATOM 1288 HG23 ILE B 107 -3.007 -14.157 7.519 1.00 0.00 H ATOM 1289 H ILE B 107 -7.979 -14.370 7.740 1.00 0.00 H ATOM 1290 N VAL B 108 -6.089 -12.817 10.615 1.00 20.67 N ATOM 1291 CA VAL B 108 -6.293 -11.510 11.226 1.00 18.08 C ATOM 1292 C VAL B 108 -5.030 -10.983 11.895 1.00 18.34 C ATOM 1293 O VAL B 108 -4.164 -11.758 12.313 1.00 19.35 O ATOM 1294 CB VAL B 108 -7.405 -11.566 12.318 1.00 20.44 C ATOM 1295 CG1 VAL B 108 -8.761 -11.814 11.681 1.00 18.79 C ATOM 1296 CG2 VAL B 108 -7.092 -12.659 13.338 1.00 14.73 C ATOM 1297 HA VAL B 108 -6.583 -10.846 10.411 1.00 0.00 H ATOM 1298 HB VAL B 108 -7.433 -10.606 12.833 1.00 0.00 H ATOM 1299 HG11 VAL B 108 -8.987 -11.006 10.985 1.00 0.00 H ATOM 1300 HG12 VAL B 108 -8.741 -12.763 11.145 1.00 0.00 H ATOM 1301 HG13 VAL B 108 -9.525 -11.850 12.458 1.00 0.00 H ATOM 1302 HG21 VAL B 108 -7.041 -13.623 12.832 1.00 0.00 H ATOM 1303 HG22 VAL B 108 -6.135 -12.446 13.814 1.00 0.00 H ATOM 1304 HG23 VAL B 108 -7.877 -12.685 14.093 1.00 0.00 H ATOM 1305 H VAL B 108 -5.666 -13.574 11.190 1.00 0.00 H ATOM 1306 N ALA B 109 -4.943 -9.657 11.996 1.00 16.68 N ATOM 1307 CA ALA B 109 -3.827 -8.987 12.648 1.00 15.81 C ATOM 1308 C ALA B 109 -4.322 -8.605 14.042 1.00 19.83 C ATOM 1309 O ALA B 109 -5.372 -7.987 14.163 1.00 23.70 O ATOM 1310 CB ALA B 109 -3.449 -7.739 11.879 1.00 15.37 C ATOM 1311 HA ALA B 109 -2.948 -9.629 12.693 1.00 0.00 H ATOM 1312 HB1 ALA B 109 -3.160 -8.013 10.864 1.00 0.00 H ATOM 1313 HB2 ALA B 109 -4.303 -7.062 11.845 1.00 0.00 H ATOM 1314 HB3 ALA B 109 -2.613 -7.247 12.376 1.00 0.00 H ATOM 1315 H ALA B 109 -5.705 -9.076 11.592 1.00 0.00 H ATOM 1316 N CYS B 110 -3.578 -8.973 15.084 1.00 19.06 N ATOM 1317 CA CYS B 110 -3.981 -8.661 16.449 1.00 21.10 C ATOM 1318 C CYS B 110 -3.131 -7.606 17.151 1.00 23.51 C ATOM 1319 O CYS B 110 -1.939 -7.481 16.901 1.00 27.22 O ATOM 1320 CB CYS B 110 -4.003 -9.940 17.285 1.00 21.21 C ATOM 1321 SG CYS B 110 -4.955 -11.283 16.514 1.00 22.86 S ATOM 1322 HA CYS B 110 -4.976 -8.224 16.364 1.00 0.00 H ATOM 1323 HB2 CYS B 110 -4.446 -9.713 18.255 1.00 0.00 H ATOM 1324 HB3 CYS B 110 -2.977 -10.279 17.427 1.00 0.00 H ATOM 1325 H CYS B 110 -2.692 -9.493 14.920 1.00 0.00 H ATOM 1326 N GLU B 111 -3.763 -6.854 18.041 1.00 25.36 N ATOM 1327 CA GLU B 111 -3.079 -5.804 18.772 1.00 29.21 C ATOM 1328 C GLU B 111 -3.829 -5.459 20.045 1.00 29.35 C ATOM 1329 O GLU B 111 -5.016 -5.749 20.170 1.00 28.10 O ATOM 1330 CB GLU B 111 -2.985 -4.539 17.919 1.00 35.92 C ATOM 1331 CG GLU B 111 -1.834 -4.505 16.930 1.00 48.32 C ATOM 1332 CD GLU B 111 -2.010 -3.419 15.883 1.00 56.24 C ATOM 1333 OE1 GLU B 111 -1.433 -3.558 14.782 1.00 62.62 O ATOM 1334 OE2 GLU B 111 -2.724 -2.427 16.158 1.00 56.20 O ATOM 1335 HA GLU B 111 -2.082 -6.169 19.018 1.00 0.00 H ATOM 1336 HB2 GLU B 111 -3.914 -4.442 17.358 1.00 0.00 H ATOM 1337 HB3 GLU B 111 -2.877 -3.687 18.591 1.00 0.00 H ATOM 1338 HG2 GLU B 111 -0.908 -4.321 17.475 1.00 0.00 H ATOM 1339 HG3 GLU B 111 -1.773 -5.471 16.428 1.00 0.00 H ATOM 1340 H GLU B 111 -4.774 -7.021 18.220 1.00 0.00 H ATOM 1341 N GLY B 112 -3.113 -4.849 20.987 1.00 32.18 N ATOM 1342 CA GLY B 112 -3.704 -4.412 22.241 1.00 33.78 C ATOM 1343 C GLY B 112 -3.803 -5.364 23.420 1.00 35.68 C ATOM 1344 O GLY B 112 -3.233 -6.463 23.442 1.00 31.77 O ATOM 1345 HA3 GLY B 112 -4.720 -4.091 22.012 1.00 0.00 H ATOM 1346 HA2 GLY B 112 -3.121 -3.555 22.579 1.00 0.00 H ATOM 1347 H GLY B 112 -2.100 -4.680 20.821 1.00 0.00 H ATOM 1348 N ASN B 113 -4.540 -4.899 24.423 1.00 36.62 N ATOM 1349 CA ASN B 113 -4.786 -5.649 25.641 1.00 40.40 C ATOM 1350 C ASN B 113 -6.234 -5.395 26.050 1.00 40.80 C ATOM 1351 O ASN B 113 -6.601 -4.278 26.424 1.00 45.08 O ATOM 1352 CB ASN B 113 -3.839 -5.192 26.753 1.00 38.71 C ATOM 1353 CG ASN B 113 -3.375 -6.342 27.621 1.00 39.25 C ATOM 1354 OD1 ASN B 113 -4.181 -7.025 28.259 1.00 39.42 O ATOM 1355 ND2 ASN B 113 -2.067 -6.567 27.648 1.00 39.09 N ATOM 1356 HA ASN B 113 -4.612 -6.712 25.473 1.00 0.00 H ATOM 1357 HB2 ASN B 113 -2.967 -4.721 26.300 1.00 0.00 H ATOM 1358 HB3 ASN B 113 -4.358 -4.467 27.380 1.00 0.00 H ATOM 1359 HD22 ASN B 113 -1.424 -5.966 27.094 1.00 0.00 H ATOM 1360 HD21 ASN B 113 -1.685 -7.345 28.223 1.00 0.00 H ATOM 1361 H ASN B 113 -4.961 -3.952 24.331 1.00 0.00 H ATOM 1362 N PRO B 114 -7.081 -6.433 25.968 1.00 38.15 N ATOM 1363 CA PRO B 114 -6.678 -7.772 25.523 1.00 33.70 C ATOM 1364 C PRO B 114 -6.199 -7.795 24.073 1.00 31.29 C ATOM 1365 O PRO B 114 -6.463 -6.869 23.315 1.00 32.77 O ATOM 1366 CB PRO B 114 -7.936 -8.612 25.726 1.00 34.80 C ATOM 1367 CG PRO B 114 -9.065 -7.619 25.643 1.00 35.46 C ATOM 1368 CD PRO B 114 -8.522 -6.357 26.266 1.00 36.01 C ATOM 1369 HA PRO B 114 -5.822 -8.150 26.082 1.00 0.00 H ATOM 1370 HD3 PRO B 114 -8.970 -5.472 25.813 1.00 0.00 H ATOM 1371 HD2 PRO B 114 -8.700 -6.343 27.341 1.00 0.00 H ATOM 1372 HG3 PRO B 114 -9.932 -7.978 26.197 1.00 0.00 H ATOM 1373 HG2 PRO B 114 -9.346 -7.444 24.604 1.00 0.00 H ATOM 1374 HB2 PRO B 114 -8.027 -9.367 24.945 1.00 0.00 H ATOM 1375 HB3 PRO B 114 -7.922 -9.100 26.701 1.00 0.00 H ATOM 1376 N TYR B 115 -5.478 -8.855 23.714 1.00 29.74 N ATOM 1377 CA TYR B 115 -4.963 -9.050 22.358 1.00 28.00 C ATOM 1378 C TYR B 115 -6.143 -9.435 21.456 1.00 26.44 C ATOM 1379 O TYR B 115 -6.605 -10.580 21.482 1.00 24.97 O ATOM 1380 CB TYR B 115 -3.937 -10.181 22.378 1.00 26.92 C ATOM 1381 CG TYR B 115 -2.921 -10.165 21.256 1.00 23.15 C ATOM 1382 CD1 TYR B 115 -2.122 -9.047 21.013 1.00 27.15 C ATOM 1383 CD2 TYR B 115 -2.713 -11.303 20.475 1.00 21.93 C ATOM 1384 CE1 TYR B 115 -1.128 -9.072 20.009 1.00 26.88 C ATOM 1385 CE2 TYR B 115 -1.733 -11.332 19.482 1.00 22.22 C ATOM 1386 CZ TYR B 115 -0.945 -10.221 19.256 1.00 18.98 C ATOM 1387 OH TYR B 115 0.032 -10.271 18.289 1.00 21.00 O ATOM 1388 HA TYR B 115 -4.488 -8.142 21.986 1.00 0.00 H ATOM 1389 HB3 TYR B 115 -4.478 -11.126 22.327 1.00 0.00 H ATOM 1390 HB2 TYR B 115 -3.395 -10.125 23.322 1.00 0.00 H ATOM 1391 HD2 TYR B 115 -3.328 -12.187 20.644 1.00 0.00 H ATOM 1392 HE2 TYR B 115 -1.590 -12.232 18.884 1.00 0.00 H ATOM 1393 HE1 TYR B 115 -0.509 -8.193 19.828 1.00 0.00 H ATOM 1394 HD1 TYR B 115 -2.266 -8.143 21.605 1.00 0.00 H ATOM 1395 HH TYR B 115 0.503 -9.401 18.253 1.00 0.00 H ATOM 1396 H TYR B 115 -5.271 -9.579 24.431 1.00 0.00 H ATOM 1397 N VAL B 116 -6.630 -8.485 20.661 1.00 25.92 N ATOM 1398 CA VAL B 116 -7.773 -8.740 19.791 1.00 20.14 C ATOM 1399 C VAL B 116 -7.543 -8.331 18.348 1.00 18.66 C ATOM 1400 O VAL B 116 -6.653 -7.529 18.049 1.00 16.85 O ATOM 1401 CB VAL B 116 -9.041 -8.003 20.292 1.00 20.15 C ATOM 1402 CG1 VAL B 116 -9.524 -8.619 21.599 1.00 26.77 C ATOM 1403 CG2 VAL B 116 -8.751 -6.516 20.467 1.00 14.36 C ATOM 1404 HA VAL B 116 -7.910 -9.821 19.828 1.00 0.00 H ATOM 1405 HB VAL B 116 -9.831 -8.112 19.549 1.00 0.00 H ATOM 1406 HG11 VAL B 116 -9.761 -9.671 21.438 1.00 0.00 H ATOM 1407 HG12 VAL B 116 -8.740 -8.534 22.351 1.00 0.00 H ATOM 1408 HG13 VAL B 116 -10.415 -8.092 21.940 1.00 0.00 H ATOM 1409 HG21 VAL B 116 -7.951 -6.386 21.196 1.00 0.00 H ATOM 1410 HG22 VAL B 116 -8.445 -6.092 19.511 1.00 0.00 H ATOM 1411 HG23 VAL B 116 -9.650 -6.011 20.819 1.00 0.00 H ATOM 1412 H VAL B 116 -6.188 -7.544 20.660 1.00 0.00 H ATOM 1413 N PRO B 117 -8.361 -8.875 17.428 1.00 18.86 N ATOM 1414 CA PRO B 117 -8.213 -8.536 16.012 1.00 19.60 C ATOM 1415 C PRO B 117 -8.587 -7.087 15.710 1.00 19.96 C ATOM 1416 O PRO B 117 -9.581 -6.573 16.220 1.00 20.77 O ATOM 1417 CB PRO B 117 -9.120 -9.534 15.285 1.00 17.32 C ATOM 1418 CG PRO B 117 -9.953 -10.165 16.310 1.00 19.83 C ATOM 1419 CD PRO B 117 -9.458 -9.828 17.673 1.00 18.65 C ATOM 1420 HA PRO B 117 -7.176 -8.609 15.686 1.00 0.00 H ATOM 1421 HD3 PRO B 117 -10.246 -9.367 18.269 1.00 0.00 H ATOM 1422 HD2 PRO B 117 -9.091 -10.718 18.184 1.00 0.00 H ATOM 1423 HG3 PRO B 117 -9.926 -11.247 16.177 1.00 0.00 H ATOM 1424 HG2 PRO B 117 -10.979 -9.812 16.204 1.00 0.00 H ATOM 1425 HB2 PRO B 117 -9.745 -9.015 14.559 1.00 0.00 H ATOM 1426 HB3 PRO B 117 -8.519 -10.286 14.773 1.00 0.00 H ATOM 1427 N VAL B 118 -7.763 -6.432 14.897 1.00 17.47 N ATOM 1428 CA VAL B 118 -8.006 -5.054 14.508 1.00 18.77 C ATOM 1429 C VAL B 118 -8.020 -4.939 12.984 1.00 22.01 C ATOM 1430 O VAL B 118 -8.473 -3.940 12.431 1.00 24.43 O ATOM 1431 CB VAL B 118 -6.930 -4.129 15.078 1.00 17.81 C ATOM 1432 CG1 VAL B 118 -7.004 -4.140 16.602 1.00 23.80 C ATOM 1433 CG2 VAL B 118 -5.553 -4.571 14.604 1.00 21.32 C ATOM 1434 HA VAL B 118 -8.974 -4.752 14.908 1.00 0.00 H ATOM 1435 HB VAL B 118 -7.102 -3.113 14.724 1.00 0.00 H ATOM 1436 HG11 VAL B 118 -7.987 -3.793 16.919 1.00 0.00 H ATOM 1437 HG12 VAL B 118 -6.841 -5.155 16.965 1.00 0.00 H ATOM 1438 HG13 VAL B 118 -6.236 -3.480 17.007 1.00 0.00 H ATOM 1439 HG21 VAL B 118 -5.364 -5.590 14.941 1.00 0.00 H ATOM 1440 HG22 VAL B 118 -5.516 -4.534 13.515 1.00 0.00 H ATOM 1441 HG23 VAL B 118 -4.796 -3.904 15.017 1.00 0.00 H ATOM 1442 H VAL B 118 -6.921 -6.920 14.530 1.00 0.00 H ATOM 1443 N HIS B 119 -7.528 -5.977 12.310 1.00 23.53 N ATOM 1444 CA HIS B 119 -7.489 -6.001 10.852 1.00 23.86 C ATOM 1445 C HIS B 119 -7.724 -7.390 10.275 1.00 27.92 C ATOM 1446 O HIS B 119 -7.309 -8.393 10.841 1.00 28.65 O ATOM 1447 CB HIS B 119 -6.134 -5.493 10.350 1.00 29.41 C ATOM 1448 CG HIS B 119 -5.927 -4.025 10.564 1.00 36.20 C ATOM 1449 ND1 HIS B 119 -6.798 -3.077 10.080 1.00 40.34 N ATOM 1450 CD2 HIS B 119 -4.957 -3.353 11.224 1.00 37.83 C ATOM 1451 CE1 HIS B 119 -6.378 -1.877 10.432 1.00 42.46 C ATOM 1452 NE2 HIS B 119 -5.262 -2.013 11.129 1.00 42.35 N ATOM 1453 HA HIS B 119 -8.298 -5.352 10.515 1.00 0.00 H ATOM 1454 HB2 HIS B 119 -5.347 -6.033 10.877 1.00 0.00 H ATOM 1455 HB3 HIS B 119 -6.062 -5.699 9.282 1.00 0.00 H ATOM 1456 HD2 HIS B 119 -4.098 -3.788 11.734 1.00 0.00 H ATOM 1457 HE1 HIS B 119 -6.867 -0.934 10.190 1.00 0.00 H ATOM 1458 H HIS B 119 -7.161 -6.794 12.838 1.00 0.00 H ATOM 1459 N PHE B 120 -8.392 -7.435 9.131 1.00 26.78 N ATOM 1460 CA PHE B 120 -8.663 -8.690 8.458 1.00 29.93 C ATOM 1461 C PHE B 120 -7.646 -8.792 7.332 1.00 33.43 C ATOM 1462 O PHE B 120 -7.724 -8.047 6.358 1.00 39.49 O ATOM 1463 CB PHE B 120 -10.078 -8.680 7.882 1.00 28.34 C ATOM 1464 CG PHE B 120 -10.563 -10.024 7.453 1.00 25.89 C ATOM 1465 CD1 PHE B 120 -10.204 -10.535 6.211 1.00 29.11 C ATOM 1466 CD2 PHE B 120 -11.380 -10.782 8.284 1.00 29.10 C ATOM 1467 CE1 PHE B 120 -10.643 -11.781 5.790 1.00 29.73 C ATOM 1468 CE2 PHE B 120 -11.830 -12.034 7.878 1.00 33.86 C ATOM 1469 CZ PHE B 120 -11.458 -12.537 6.620 1.00 35.71 C ATOM 1470 HA PHE B 120 -8.589 -9.535 9.143 1.00 0.00 H ATOM 1471 HB2 PHE B 120 -10.757 -8.296 8.644 1.00 0.00 H ATOM 1472 HB3 PHE B 120 -10.093 -8.017 7.017 1.00 0.00 H ATOM 1473 HD2 PHE B 120 -11.670 -10.393 9.260 1.00 0.00 H ATOM 1474 HE2 PHE B 120 -12.470 -12.624 8.534 1.00 0.00 H ATOM 1475 HZ PHE B 120 -11.808 -13.517 6.297 1.00 0.00 H ATOM 1476 HE1 PHE B 120 -10.350 -12.164 4.813 1.00 0.00 H ATOM 1477 HD1 PHE B 120 -9.565 -9.944 5.555 1.00 0.00 H ATOM 1478 H PHE B 120 -8.730 -6.548 8.706 1.00 0.00 H ATOM 1479 N ASP B 121 -6.689 -9.704 7.469 1.00 38.70 N ATOM 1480 CA ASP B 121 -5.653 -9.882 6.457 1.00 37.56 C ATOM 1481 C ASP B 121 -6.106 -10.692 5.245 1.00 38.80 C ATOM 1482 O ASP B 121 -5.775 -10.334 4.116 1.00 40.66 O ATOM 1483 CB ASP B 121 -4.416 -10.531 7.074 1.00 36.56 C ATOM 1484 CG ASP B 121 -3.136 -10.067 6.425 1.00 36.44 C ATOM 1485 OD1 ASP B 121 -2.620 -8.991 6.806 1.00 42.48 O ATOM 1486 OD2 ASP B 121 -2.644 -10.778 5.531 1.00 30.38 O ATOM 1487 HA ASP B 121 -5.417 -8.882 6.093 1.00 0.00 H ATOM 1488 HB2 ASP B 121 -4.381 -10.281 8.134 1.00 0.00 H ATOM 1489 HB3 ASP B 121 -4.494 -11.612 6.960 1.00 0.00 H ATOM 1490 H ASP B 121 -6.678 -10.305 8.318 1.00 0.00 H ATOM 1491 N ALA B 122 -6.841 -11.782 5.470 1.00 38.07 N ATOM 1492 CA ALA B 122 -7.326 -12.601 4.359 1.00 36.49 C ATOM 1493 C ALA B 122 -8.050 -13.881 4.771 1.00 35.99 C ATOM 1494 O ALA B 122 -8.174 -14.192 5.950 1.00 31.20 O ATOM 1495 CB ALA B 122 -6.167 -12.950 3.427 1.00 40.78 C ATOM 1496 HA ALA B 122 -8.071 -11.988 3.852 1.00 0.00 H ATOM 1497 HB1 ALA B 122 -5.729 -12.032 3.034 1.00 0.00 H ATOM 1498 HB2 ALA B 122 -5.411 -13.506 3.982 1.00 0.00 H ATOM 1499 HB3 ALA B 122 -6.536 -13.560 2.603 1.00 0.00 H ATOM 1500 H ALA B 122 -7.072 -12.053 6.447 1.00 0.00 H ATOM 1501 N SER B 123 -8.523 -14.609 3.762 1.00 40.14 N ATOM 1502 CA SER B 123 -9.228 -15.874 3.943 1.00 44.15 C ATOM 1503 C SER B 123 -8.688 -16.901 2.946 1.00 47.04 C ATOM 1504 O SER B 123 -8.787 -16.709 1.730 1.00 47.65 O ATOM 1505 CB SER B 123 -10.734 -15.695 3.716 1.00 46.53 C ATOM 1506 OG SER B 123 -11.008 -14.564 2.903 1.00 51.71 O ATOM 1507 HA SER B 123 -9.067 -16.219 4.964 1.00 0.00 H ATOM 1508 HB2 SER B 123 -11.225 -15.565 4.681 1.00 0.00 H ATOM 1509 HB3 SER B 123 -11.127 -16.586 3.227 1.00 0.00 H ATOM 1510 HG SER B 123 -11.986 -14.479 2.777 1.00 0.00 H ATOM 1511 H SER B 123 -8.383 -14.258 2.793 1.00 0.00 H ATOM 1512 N VAL B 124 -8.118 -17.988 3.466 1.00 50.05 N ATOM 1513 CA VAL B 124 -7.553 -19.054 2.635 1.00 49.24 C ATOM 1514 C VAL B 124 -8.465 -20.278 2.536 1.00 45.67 C ATOM 1515 O VAL B 124 -9.393 -20.253 1.705 1.00 47.48 O ATOM 1516 CB VAL B 124 -6.178 -19.519 3.180 1.00 51.13 C ATOM 1517 CG1 VAL B 124 -5.079 -18.621 2.638 1.00 56.19 C ATOM 1518 CG2 VAL B 124 -6.179 -19.501 4.700 1.00 51.92 C ATOM 1519 HA VAL B 124 -7.442 -18.621 1.641 1.00 0.00 H ATOM 1520 OXT VAL B 124 -8.239 -21.246 3.289 1.00 40.75 O ATOM 1521 HB VAL B 124 -5.992 -20.541 2.850 1.00 0.00 H ATOM 1522 HG11 VAL B 124 -5.072 -18.674 1.549 1.00 0.00 H ATOM 1523 HG12 VAL B 124 -5.263 -17.594 2.952 1.00 0.00 H ATOM 1524 HG13 VAL B 124 -4.116 -18.954 3.025 1.00 0.00 H ATOM 1525 HG21 VAL B 124 -6.377 -18.488 5.050 1.00 0.00 H ATOM 1526 HG22 VAL B 124 -6.954 -20.172 5.070 1.00 0.00 H ATOM 1527 HG23 VAL B 124 -5.207 -19.830 5.067 1.00 0.00 H ATOM 1528 H VAL B 124 -8.073 -18.083 4.501 1.00 0.00 H TER 1529 VAL B 124 HETATM 1530 O HOH 1 -19.250 1.387 15.650 1.00 40.05 O HETATM 1531 O HOH 2 -16.106 -6.713 22.518 1.00 52.10 O HETATM 1532 O HOH 3 -8.851 -1.106 19.632 1.00 28.92 O HETATM 1533 O HOH 4 -12.118 -1.800 22.273 1.00 43.02 O HETATM 1534 O HOH 5 -15.025 -3.256 21.829 1.00 56.86 O HETATM 1535 O HOH 6 -10.735 -4.058 23.266 1.00 43.81 O HETATM 1536 O HOH 7 -7.273 2.039 19.149 1.00 43.58 O HETATM 1537 O HOH 8 -6.774 -3.372 20.123 1.00 40.65 O HETATM 1538 O HOH 9 -11.979 -6.851 17.766 1.00 24.06 O HETATM 1539 O HOH 10 -17.590 -11.474 -4.205 1.00 28.51 O HETATM 1540 O HOH 11 -16.673 6.128 -3.486 1.00 30.86 O HETATM 1541 O HOH 12 -24.985 2.836 9.453 1.00 37.04 O HETATM 1542 O HOH 13 -6.945 -14.991 21.619 1.00 32.86 O HETATM 1543 O HOH 14 -19.454 -13.752 22.022 1.00 34.12 O HETATM 1544 O HOH 15 -9.942 -22.077 14.600 1.00 33.69 O HETATM 1545 O HOH 16 -29.086 3.085 8.502 1.00 36.65 O HETATM 1546 O HOH 17 -9.852 -1.779 12.435 1.00 30.95 O HETATM 1547 O HOH 18 -21.799 -13.648 19.656 1.00 27.99 O HETATM 1548 O HOH 19 -19.608 -19.881 16.042 1.00 33.71 O HETATM 1549 O HOH 20 -11.130 -2.695 10.387 1.00 32.88 O HETATM 1550 O HOH 21 -11.597 -19.859 17.146 1.00 21.28 O HETATM 1551 O HOH 22 -12.232 -7.353 4.185 1.00 26.30 O HETATM 1552 O HOH 23 -11.542 -23.411 15.955 1.00 40.86 O HETATM 1553 O HOH 24 -19.598 -18.465 21.698 1.00 31.38 O HETATM 1554 O HOH 25 -12.505 -6.204 21.843 1.00 34.66 O HETATM 1555 O HOH 26 -15.644 -21.460 14.125 1.00 45.51 O HETATM 1556 O HOH 27 -7.574 -4.473 23.077 1.00 39.12 O HETATM 1557 O HOH 28 -17.562 5.469 -6.424 1.00 24.82 O HETATM 1558 O HOH 29 -16.924 8.049 -7.455 1.00 27.90 O HETATM 1559 O HOH 30 -15.933 0.028 -9.911 1.00 33.30 O HETATM 1560 O HOH 31 -9.640 -1.550 10.076 1.00 64.00 O HETATM 1561 O HOH 32 -2.441 -14.065 23.069 1.00 62.22 O HETATM 1562 O HOH 33 0.746 -1.877 12.350 1.00 69.25 O HETATM 1563 O HOH 34 -16.490 -23.748 12.468 1.00 35.43 O HETATM 1564 O HOH 35 -7.381 -14.147 0.075 1.00 58.52 O HETATM 1565 O HOH 36 -11.281 -2.328 0.164 1.00 47.68 O HETATM 1566 O HOH 37 -21.930 -17.694 -3.651 1.00 51.05 O HETATM 1567 O HOH 38 -19.839 -4.864 -14.147 1.00 52.26 O HETATM 1568 O HOH 39 -18.223 -16.310 -9.648 1.00 44.94 O HETATM 1569 O HOH 40 -11.213 -0.884 6.627 1.00 52.53 O HETATM 1570 O HOH 41 -13.934 0.833 -7.977 1.00 54.59 O HETATM 1571 O HOH 42 2.064 -20.474 16.516 1.00 32.68 O HETATM 1572 O HOH 43 -23.386 -19.618 8.944 1.00 34.42 O HETATM 1573 N LYS A 44 -13.104 8.496 19.881 1.00 0.24 N HETATM 1574 CA LYS A 44 -13.802 7.924 18.691 1.00 0.07 C HETATM 1575 C LYS A 44 -13.869 6.399 18.781 1.00 0.23 C HETATM 1576 O LYS A 44 -13.683 5.806 19.849 1.00 -0.39 O HETATM 1577 N LYS A 44 -14.152 5.785 17.640 1.00 -0.26 N HETATM 1578 CA LYS A 44 -14.239 4.339 17.510 1.00 0.13 C HETATM 1579 C LYS A 44 -12.842 3.717 17.470 1.00 0.20 C HETATM 1580 O LYS A 44 -12.032 4.054 16.604 1.00 -0.39 O HETATM 1581 N LYS A 44 -12.556 2.818 18.408 1.00 -0.26 N HETATM 1582 CA LYS A 44 -11.252 2.166 18.441 1.00 0.16 C HETATM 1583 C LYS A 44 -11.090 1.233 17.254 1.00 0.21 C HETATM 1584 O LYS A 44 -12.047 0.962 16.531 1.00 -0.39 O HETATM 1585 N LYS A 44 -9.877 0.726 17.067 1.00 -0.26 N HETATM 1586 CA LYS A 44 -9.592 -0.165 15.949 1.00 0.13 C HETATM 1587 C LYS A 44 -10.290 -1.504 16.099 1.00 0.20 C HETATM 1588 O LYS A 44 -10.704 -2.112 15.114 1.00 -0.39 O HETATM 1589 N LYS A 44 -10.406 -1.964 17.337 1.00 -0.26 N HETATM 1590 CA LYS A 44 -11.054 -3.235 17.611 1.00 0.13 C HETATM 1591 C LYS A 44 -12.568 -3.114 17.455 1.00 0.20 C HETATM 1592 O LYS A 44 -13.228 -4.064 17.051 1.00 -0.39 O HETATM 1593 N LYS A 44 -13.112 -1.939 17.764 1.00 -0.26 N HETATM 1594 CA LYS A 44 -14.544 -1.688 17.644 1.00 0.13 C HETATM 1595 C LYS A 44 -14.898 -1.556 16.168 1.00 0.20 C HETATM 1596 O LYS A 44 -15.972 -1.970 15.739 1.00 -0.39 O HETATM 1597 N LYS A 44 -13.986 -0.972 15.397 1.00 -0.26 N HETATM 1598 CA LYS A 44 -14.182 -0.788 13.961 1.00 0.13 C HETATM 1599 C LYS A 44 -14.138 -2.153 13.270 1.00 0.20 C HETATM 1600 O LYS A 44 -14.908 -2.422 12.344 1.00 -0.39 O HETATM 1601 N LYS A 44 -13.229 -3.012 13.716 1.00 -0.26 N HETATM 1602 CA LYS A 44 -13.142 -4.340 13.134 1.00 0.14 C HETATM 1603 C LYS A 44 -14.501 -5.024 13.290 1.00 0.21 C HETATM 1604 O LYS A 44 -15.012 -5.654 12.359 1.00 -0.39 O HETATM 1605 N LYS A 44 -15.088 -4.885 14.475 1.00 -0.26 N HETATM 1606 CA LYS A 44 -16.375 -5.505 14.768 1.00 0.13 C HETATM 1607 C LYS A 44 -17.526 -4.980 13.915 1.00 0.20 C HETATM 1608 O LYS A 44 -18.309 -5.763 13.385 1.00 -0.39 O HETATM 1609 N LYS A 44 -17.637 -3.663 13.789 1.00 -0.26 N HETATM 1610 CA LYS A 44 -18.712 -3.071 13.008 1.00 0.13 C HETATM 1611 C LYS A 44 -18.571 -3.427 11.536 1.00 0.20 C HETATM 1612 O LYS A 44 -19.557 -3.580 10.821 1.00 -0.39 O HETATM 1613 N LYS A 44 -17.332 -3.575 11.092 1.00 -0.26 N HETATM 1614 CA LYS A 44 -17.059 -3.882 9.698 1.00 0.13 C HETATM 1615 C LYS A 44 -17.041 -5.349 9.277 1.00 0.20 C HETATM 1616 O LYS A 44 -17.390 -5.667 8.137 1.00 -0.39 O HETATM 1617 N LYS A 44 -16.663 -6.255 10.173 1.00 -0.26 N HETATM 1618 CA LYS A 44 -16.559 -7.655 9.763 1.00 0.14 C HETATM 1619 C LYS A 44 -17.353 -8.700 10.529 1.00 0.21 C HETATM 1620 O LYS A 44 -17.458 -9.840 10.084 1.00 -0.39 O HETATM 1621 N LYS A 44 -17.915 -8.338 11.671 1.00 -0.26 N HETATM 1622 CA LYS A 44 -18.655 -9.320 12.452 1.00 0.13 C HETATM 1623 C LYS A 44 -20.144 -9.407 12.161 1.00 0.20 C HETATM 1624 O LYS A 44 -20.849 -8.404 12.163 1.00 -0.39 O HETATM 1625 N LYS A 44 -20.609 -10.618 11.888 1.00 -0.26 N HETATM 1626 CA LYS A 44 -22.017 -10.845 11.667 1.00 0.14 C HETATM 1627 C LYS A 44 -22.333 -12.241 12.163 1.00 0.21 C HETATM 1628 O LYS A 44 -22.585 -13.152 11.379 1.00 -0.39 O HETATM 1629 N LYS A 44 -22.319 -12.389 13.482 1.00 -0.26 N HETATM 1630 CA LYS A 44 -22.596 -13.656 14.132 1.00 0.15 C HETATM 1631 C LYS A 44 -24.017 -14.135 13.848 1.00 0.20 C HETATM 1632 O LYS A 44 -24.224 -15.297 13.486 1.00 -0.39 O HETATM 1633 N LYS A 44 -24.998 -13.242 14.012 1.00 -0.30 N HETATM 1634 H118 LYS A 44 -25.947 -13.505 13.839 1.00 0.18 H HETATM 1635 H119 LYS A 44 -24.783 -12.311 14.307 1.00 0.18 H HETATM 1636 CB LYS A 44 -22.387 -13.511 15.636 1.00 0.08 C HETATM 1637 OG LYS A 44 -21.273 -12.676 15.895 1.00 -0.39 O HETATM 1638 H117 LYS A 44 -20.495 -13.059 15.507 1.00 0.21 H HETATM 1639 H115 LYS A 44 -22.208 -14.503 16.076 1.00 0.06 H HETATM 1640 H116 LYS A 44 -23.287 -13.067 16.087 1.00 0.06 H HETATM 1641 H114 LYS A 44 -21.892 -14.408 13.746 1.00 0.08 H HETATM 1642 H113 LYS A 44 -22.109 -11.594 14.051 1.00 0.19 H HETATM 1643 CB LYS A 44 -22.408 -10.711 10.196 1.00 0.04 C HETATM 1644 CG LYS A 44 -23.913 -10.748 10.000 1.00 0.04 C HETATM 1645 OD1 LYS A 44 -24.637 -10.301 10.915 1.00 -0.57 O HETATM 1646 OD2 LYS A 44 -24.378 -11.234 8.945 1.00 -0.57 O HETATM 1647 H111 LYS A 44 -21.956 -11.540 9.632 1.00 0.05 H HETATM 1648 H112 LYS A 44 -22.024 -9.754 9.812 1.00 0.05 H HETATM 1649 H110 LYS A 44 -22.593 -10.110 12.248 1.00 0.08 H HETATM 1650 H109 LYS A 44 -19.973 -11.388 11.834 1.00 0.19 H HETATM 1651 CB LYS A 44 -18.448 -9.064 13.951 1.00 -0.00 C HETATM 1652 CG LYS A 44 -17.056 -9.425 14.460 1.00 -0.00 C HETATM 1653 SD LYS A 44 -16.577 -11.128 14.090 1.00 -0.16 S HETATM 1654 CE LYS A 44 -17.986 -12.039 14.701 1.00 -0.02 C HETATM 1655 H106 LYS A 44 -17.826 -13.115 14.537 1.00 0.03 H HETATM 1656 H107 LYS A 44 -18.891 -11.717 14.166 1.00 0.03 H HETATM 1657 H108 LYS A 44 -18.108 -11.847 15.777 1.00 0.03 H HETATM 1658 H104 LYS A 44 -17.037 -9.286 15.551 1.00 0.04 H HETATM 1659 H105 LYS A 44 -16.327 -8.748 13.991 1.00 0.04 H HETATM 1660 H102 LYS A 44 -19.185 -9.661 14.508 1.00 0.03 H HETATM 1661 H103 LYS A 44 -18.620 -7.995 14.146 1.00 0.03 H HETATM 1662 H101 LYS A 44 -18.225 -10.304 12.213 1.00 0.08 H HETATM 1663 H100 LYS A 44 -17.832 -7.396 11.996 1.00 0.19 H HETATM 1664 CB LYS A 44 -15.087 -8.083 9.759 1.00 0.01 C HETATM 1665 CG LYS A 44 -14.170 -7.118 9.068 1.00 -0.00 C HETATM 1666 ND1 LYS A 44 -14.178 -6.937 7.703 1.00 -0.33 N HETATM 1667 CE1 LYS A 44 -13.263 -6.040 7.375 1.00 0.09 C HETATM 1668 NE2 LYS A 44 -12.664 -5.636 8.479 1.00 -0.28 N HETATM 1669 CD2 LYS A 44 -13.214 -6.295 9.554 1.00 0.03 C HETATM 1670 H97 LYS A 44 -12.932 -6.176 10.599 1.00 0.07 H HETATM 1671 H99 LYS A 44 -11.907 -4.939 8.528 1.00 0.24 H HETATM 1672 H98 LYS A 44 -13.042 -5.694 6.366 1.00 0.12 H HETATM 1673 H95 LYS A 44 -15.011 -9.056 9.251 1.00 0.04 H HETATM 1674 H96 LYS A 44 -14.755 -8.188 10.802 1.00 0.04 H HETATM 1675 H94 LYS A 44 -16.925 -7.692 8.726 1.00 0.08 H HETATM 1676 H93 LYS A 44 -16.453 -5.984 11.112 1.00 0.19 H HETATM 1677 CB LYS A 44 -15.726 -3.259 9.285 1.00 0.00 C HETATM 1678 CG LYS A 44 -15.783 -1.766 9.031 1.00 0.04 C HETATM 1679 CD LYS A 44 -14.497 -1.230 8.431 1.00 0.17 C HETATM 1680 OE1 LYS A 44 -13.416 -1.772 8.668 1.00 -0.40 O HETATM 1681 NE2 LYS A 44 -14.608 -0.153 7.653 1.00 -0.30 N HETATM 1682 H91 LYS A 44 -13.794 0.244 7.230 1.00 0.18 H HETATM 1683 H92 LYS A 44 -15.506 0.257 7.492 1.00 0.18 H HETATM 1684 H89 LYS A 44 -15.968 -1.252 9.986 1.00 0.05 H HETATM 1685 H90 LYS A 44 -16.610 -1.558 8.336 1.00 0.05 H HETATM 1686 H87 LYS A 44 -15.387 -3.752 8.362 1.00 0.03 H HETATM 1687 H88 LYS A 44 -14.997 -3.443 10.088 1.00 0.03 H HETATM 1688 H86 LYS A 44 -17.858 -3.400 9.116 1.00 0.08 H HETATM 1689 H85 LYS A 44 -16.568 -3.473 11.729 1.00 0.19 H HETATM 1690 CB LYS A 44 -18.710 -1.545 13.168 1.00 -0.01 C HETATM 1691 CG LYS A 44 -19.881 -0.853 12.479 1.00 -0.02 C HETATM 1692 CD LYS A 44 -19.830 0.669 12.593 1.00 0.06 C HETATM 1693 NE LYS A 44 -18.471 1.178 12.497 1.00 -0.27 N HETATM 1694 CZ LYS A 44 -17.808 1.337 11.357 1.00 0.29 C HETATM 1695 NH1 LYS A 44 -16.568 1.804 11.373 1.00 -0.28 N HETATM 1696 H81 LYS A 44 -16.053 1.928 10.490 1.00 0.26 H HETATM 1697 H82 LYS A 44 -16.119 2.043 12.269 1.00 0.26 H HETATM 1698 NH2 LYS A 44 -18.386 1.041 10.198 1.00 -0.28 N HETATM 1699 H83 LYS A 44 -19.350 0.678 10.181 1.00 0.26 H HETATM 1700 H84 LYS A 44 -17.870 1.175 9.316 1.00 0.26 H HETATM 1701 H80 LYS A 44 -17.990 1.432 13.372 1.00 0.26 H HETATM 1702 H78 LYS A 44 -20.253 0.967 13.564 1.00 0.07 H HETATM 1703 H79 LYS A 44 -20.431 1.106 11.782 1.00 0.07 H HETATM 1704 H76 LYS A 44 -20.816 -1.207 12.938 1.00 0.03 H HETATM 1705 H77 LYS A 44 -19.870 -1.125 11.413 1.00 0.03 H HETATM 1706 H74 LYS A 44 -17.775 -1.153 12.741 1.00 0.03 H HETATM 1707 H75 LYS A 44 -18.750 -1.309 14.242 1.00 0.03 H HETATM 1708 H73 LYS A 44 -19.671 -3.465 13.377 1.00 0.08 H HETATM 1709 H72 LYS A 44 -16.971 -3.068 14.238 1.00 0.19 H HETATM 1710 CB LYS A 44 -16.709 -5.328 16.251 1.00 -0.00 C HETATM 1711 CG LYS A 44 -16.126 -6.414 17.149 1.00 0.00 C HETATM 1712 CD LYS A 44 -15.892 -5.947 18.586 1.00 0.04 C HETATM 1713 OE1 LYS A 44 -16.252 -4.803 18.927 1.00 -0.57 O HETATM 1714 OE2 LYS A 44 -15.345 -6.738 19.385 1.00 -0.57 O HETATM 1715 H70 LYS A 44 -15.164 -6.738 16.726 1.00 0.04 H HETATM 1716 H71 LYS A 44 -16.824 -7.264 17.167 1.00 0.04 H HETATM 1717 H68 LYS A 44 -17.803 -5.336 16.363 1.00 0.03 H HETATM 1718 H69 LYS A 44 -16.314 -4.356 16.582 1.00 0.03 H HETATM 1719 H67 LYS A 44 -16.277 -6.581 14.562 1.00 0.08 H HETATM 1720 H66 LYS A 44 -14.636 -4.342 15.183 1.00 0.19 H HETATM 1721 CB LYS A 44 -12.053 -5.168 13.839 1.00 0.02 C HETATM 1722 CG LYS A 44 -12.017 -6.619 13.404 1.00 -0.04 C HETATM 1723 CD1 LYS A 44 -11.234 -7.017 12.322 1.00 -0.06 C HETATM 1724 CE1 LYS A 44 -11.219 -8.352 11.901 1.00 -0.07 C HETATM 1725 CZ LYS A 44 -11.995 -9.304 12.569 1.00 -0.07 C HETATM 1726 CE2 LYS A 44 -12.778 -8.924 13.651 1.00 -0.07 C HETATM 1727 CD2 LYS A 44 -12.784 -7.582 14.064 1.00 -0.06 C HETATM 1728 H62 LYS A 44 -13.395 -7.288 14.910 1.00 0.06 H HETATM 1729 H64 LYS A 44 -13.380 -9.658 14.173 1.00 0.06 H HETATM 1730 H65 LYS A 44 -11.985 -10.338 12.243 1.00 0.06 H HETATM 1731 H63 LYS A 44 -10.606 -8.648 11.057 1.00 0.06 H HETATM 1732 H61 LYS A 44 -10.629 -6.284 11.800 1.00 0.06 H HETATM 1733 H59 LYS A 44 -12.238 -5.135 14.923 1.00 0.05 H HETATM 1734 H60 LYS A 44 -11.075 -4.715 13.620 1.00 0.05 H HETATM 1735 H58 LYS A 44 -12.894 -4.255 12.066 1.00 0.08 H HETATM 1736 H57 LYS A 44 -12.606 -2.745 14.451 1.00 0.19 H HETATM 1737 CB LYS A 44 -13.091 0.131 13.400 1.00 -0.01 C HETATM 1738 CG LYS A 44 -13.261 0.544 11.942 1.00 -0.04 C HETATM 1739 CD LYS A 44 -11.924 0.976 11.329 1.00 -0.01 C HETATM 1740 CE LYS A 44 -12.075 1.290 9.851 1.00 -0.04 C HETATM 1741 NZ LYS A 44 -10.786 1.265 9.093 1.00 0.22 N HETATM 1742 H54 LYS A 44 -10.962 1.481 8.124 1.00 0.20 H HETATM 1743 H55 LYS A 44 -10.373 0.348 9.163 1.00 0.20 H HETATM 1744 H56 LYS A 44 -10.155 1.949 9.481 1.00 0.20 H HETATM 1745 H52 LYS A 44 -12.515 2.293 9.753 1.00 0.08 H HETATM 1746 H53 LYS A 44 -12.753 0.547 9.406 1.00 0.08 H HETATM 1747 H50 LYS A 44 -11.194 0.162 11.450 1.00 0.03 H HETATM 1748 H51 LYS A 44 -11.563 1.874 11.852 1.00 0.03 H HETATM 1749 H48 LYS A 44 -13.969 1.384 11.887 1.00 0.03 H HETATM 1750 H49 LYS A 44 -13.659 -0.308 11.372 1.00 0.03 H HETATM 1751 H46 LYS A 44 -12.128 -0.392 13.493 1.00 0.03 H HETATM 1752 H47 LYS A 44 -13.072 1.046 14.011 1.00 0.03 H HETATM 1753 H45 LYS A 44 -15.165 -0.326 13.785 1.00 0.08 H HETATM 1754 H44 LYS A 44 -13.137 -0.648 15.814 1.00 0.19 H HETATM 1755 CB LYS A 44 -14.914 -0.411 18.375 1.00 -0.02 C HETATM 1756 H41 LYS A 44 -15.995 -0.233 18.277 1.00 0.03 H HETATM 1757 H42 LYS A 44 -14.362 0.434 17.939 1.00 0.03 H HETATM 1758 H43 LYS A 44 -14.653 -0.509 19.439 1.00 0.03 H HETATM 1759 H40 LYS A 44 -15.101 -2.530 18.081 1.00 0.08 H HETATM 1760 H39 LYS A 44 -12.518 -1.203 18.090 1.00 0.19 H HETATM 1761 CB LYS A 44 -10.701 -3.710 19.013 1.00 -0.02 C HETATM 1762 H36 LYS A 44 -11.197 -4.672 19.210 1.00 0.03 H HETATM 1763 H37 LYS A 44 -11.040 -2.966 19.749 1.00 0.03 H HETATM 1764 H38 LYS A 44 -9.611 -3.836 19.094 1.00 0.03 H HETATM 1765 H35 LYS A 44 -10.688 -3.977 16.887 1.00 0.08 H HETATM 1766 H34 LYS A 44 -10.040 -1.426 18.096 1.00 0.19 H HETATM 1767 CB LYS A 44 -8.098 -0.373 15.825 1.00 -0.02 C HETATM 1768 H31 LYS A 44 -7.890 -1.046 14.980 1.00 0.03 H HETATM 1769 H32 LYS A 44 -7.712 -0.820 16.753 1.00 0.03 H HETATM 1770 H33 LYS A 44 -7.606 0.596 15.652 1.00 0.03 H HETATM 1771 H30 LYS A 44 -9.958 0.312 15.028 1.00 0.08 H HETATM 1772 H29 LYS A 44 -9.144 0.960 17.706 1.00 0.19 H HETATM 1773 CB LYS A 44 -11.059 1.350 19.717 1.00 0.09 C HETATM 1774 OG1 LYS A 44 -11.995 0.268 19.737 1.00 -0.39 O HETATM 1775 H25 LYS A 44 -11.874 -0.239 20.531 1.00 0.21 H HETATM 1776 CG2 LYS A 44 -11.272 2.220 20.927 1.00 -0.03 C HETATM 1777 H26 LYS A 44 -11.130 1.621 21.839 1.00 0.03 H HETATM 1778 H27 LYS A 44 -12.294 2.627 20.911 1.00 0.03 H HETATM 1779 H28 LYS A 44 -10.547 3.048 20.916 1.00 0.03 H HETATM 1780 H24 LYS A 44 -10.036 0.947 19.737 1.00 0.06 H HETATM 1781 H23 LYS A 44 -10.475 2.943 18.396 1.00 0.08 H HETATM 1782 H22 LYS A 44 -13.242 2.587 19.098 1.00 0.19 H HETATM 1783 CB LYS A 44 -14.985 4.019 16.220 1.00 -0.00 C HETATM 1784 CG LYS A 44 -15.171 2.559 15.920 1.00 0.00 C HETATM 1785 CD LYS A 44 -15.945 2.347 14.632 1.00 0.04 C HETATM 1786 OE1 LYS A 44 -15.490 2.846 13.578 1.00 -0.57 O HETATM 1787 OE2 LYS A 44 -17.004 1.688 14.673 1.00 -0.57 O HETATM 1788 H20 LYS A 44 -15.723 2.092 16.749 1.00 0.04 H HETATM 1789 H21 LYS A 44 -14.183 2.086 15.825 1.00 0.04 H HETATM 1790 H18 LYS A 44 -14.425 4.467 15.386 1.00 0.03 H HETATM 1791 H19 LYS A 44 -15.981 4.481 16.282 1.00 0.03 H HETATM 1792 H17 LYS A 44 -14.792 3.927 18.367 1.00 0.08 H HETATM 1793 H16 LYS A 44 -14.314 6.345 16.827 1.00 0.19 H HETATM 1794 CB LYS A 44 -13.065 8.331 17.400 1.00 0.01 C HETATM 1795 CG LYS A 44 -13.966 8.914 16.301 1.00 -0.04 C HETATM 1796 CD LYS A 44 -14.000 8.025 15.060 1.00 -0.01 C HETATM 1797 CE LYS A 44 -15.291 8.217 14.261 1.00 -0.04 C HETATM 1798 NZ LYS A 44 -15.824 6.935 13.692 1.00 0.22 N HETATM 1799 H13 LYS A 44 -16.671 7.122 13.178 1.00 0.20 H HETATM 1800 H14 LYS A 44 -16.021 6.291 14.442 1.00 0.20 H HETATM 1801 H15 LYS A 44 -15.138 6.531 13.073 1.00 0.20 H HETATM 1802 H11 LYS A 44 -15.090 8.912 13.432 1.00 0.08 H HETATM 1803 H12 LYS A 44 -16.054 8.649 14.925 1.00 0.08 H HETATM 1804 H9 LYS A 44 -13.928 6.973 15.373 1.00 0.03 H HETATM 1805 H10 LYS A 44 -13.143 8.276 14.418 1.00 0.03 H HETATM 1806 H7 LYS A 44 -13.584 9.906 16.017 1.00 0.03 H HETATM 1807 H8 LYS A 44 -14.988 9.014 16.695 1.00 0.03 H HETATM 1808 H5 LYS A 44 -12.565 7.439 16.995 1.00 0.03 H HETATM 1809 H6 LYS A 44 -12.310 9.087 17.661 1.00 0.03 H HETATM 1810 H4 LYS A 44 -14.827 8.322 18.658 1.00 0.11 H HETATM 1811 H1 LYS A 44 -13.071 9.500 19.801 1.00 0.20 H HETATM 1812 H2 LYS A 44 -12.165 8.132 19.927 1.00 0.20 H HETATM 1813 H3 LYS A 44 -13.604 8.242 20.718 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 43 42 924 CONECT 280 279 1087 CONECT 548 547 1321 CONECT 648 647 746 CONECT 746 648 745 CONECT 924 43 923 CONECT 1087 280 1086 CONECT 1321 548 1320 CONECT 1573 1574 1811 1812 1813 CONECT 1574 1573 1575 1794 1810 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1793 CONECT 1578 1577 1579 1783 1792 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1782 CONECT 1582 1581 1583 1773 1781 CONECT 1583 1582 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1772 CONECT 1586 1585 1587 1767 1771 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 1590 1766 CONECT 1590 1589 1591 1761 1765 CONECT 1591 1590 1592 1593 CONECT 1592 1591 CONECT 1593 1591 1594 1760 CONECT 1594 1593 1595 1755 1759 CONECT 1595 1594 1596 1597 CONECT 1596 1595 CONECT 1597 1595 1598 1754 CONECT 1598 1597 1599 1737 1753 CONECT 1599 1598 1600 1601 CONECT 1600 1599 CONECT 1601 1599 1602 1736 CONECT 1602 1601 1603 1721 1735 CONECT 1603 1602 1604 1605 CONECT 1604 1603 CONECT 1605 1603 1606 1720 CONECT 1606 1605 1607 1710 1719 CONECT 1607 1606 1608 1609 CONECT 1608 1607 CONECT 1609 1607 1610 1709 CONECT 1610 1609 1611 1690 1708 CONECT 1611 1610 1612 1613 CONECT 1612 1611 CONECT 1613 1611 1614 1689 CONECT 1614 1613 1615 1677 1688 CONECT 1615 1614 1616 1617 CONECT 1616 1615 CONECT 1617 1615 1618 1676 CONECT 1618 1617 1619 1664 1675 CONECT 1619 1618 1620 1621 CONECT 1620 1619 CONECT 1621 1619 1622 1663 CONECT 1622 1621 1623 1651 1662 CONECT 1623 1622 1624 1625 CONECT 1624 1623 CONECT 1625 1623 1626 1650 CONECT 1626 1625 1627 1643 1649 CONECT 1627 1626 1628 1629 CONECT 1628 1627 CONECT 1629 1627 1630 1642 CONECT 1630 1629 1631 1636 1641 CONECT 1631 1630 1632 1633 CONECT 1632 1631 CONECT 1633 1631 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1630 1637 1639 1640 CONECT 1637 1636 1638 CONECT 1638 1637 CONECT 1639 1636 CONECT 1640 1636 CONECT 1641 1630 CONECT 1642 1629 CONECT 1643 1626 1644 1647 1648 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1643 CONECT 1648 1643 CONECT 1649 1626 CONECT 1650 1625 CONECT 1651 1622 1652 1660 1661 CONECT 1652 1651 1653 1658 1659 CONECT 1653 1652 1654 CONECT 1654 1653 1655 1656 1657 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1654 CONECT 1658 1652 CONECT 1659 1652 CONECT 1660 1651 CONECT 1661 1651 CONECT 1662 1622 CONECT 1663 1621 CONECT 1664 1618 1665 1673 1674 CONECT 1665 1664 1666 1669 CONECT 1666 1665 1667 CONECT 1667 1666 1668 1672 CONECT 1668 1667 1669 1671 CONECT 1669 1665 1668 1670 CONECT 1670 1669 CONECT 1671 1668 CONECT 1672 1667 CONECT 1673 1664 CONECT 1674 1664 CONECT 1675 1618 CONECT 1676 1617 CONECT 1677 1614 1678 1686 1687 CONECT 1678 1677 1679 1684 1685 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 1683 CONECT 1682 1681 CONECT 1683 1681 CONECT 1684 1678 CONECT 1685 1678 CONECT 1686 1677 CONECT 1687 1677 CONECT 1688 1614 CONECT 1689 1613 CONECT 1690 1610 1691 1706 1707 CONECT 1691 1690 1692 1704 1705 CONECT 1692 1691 1693 1702 1703 CONECT 1693 1692 1694 1701 CONECT 1694 1693 1695 1698 CONECT 1695 1694 1696 1697 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1694 1699 1700 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1693 CONECT 1702 1692 CONECT 1703 1692 CONECT 1704 1691 CONECT 1705 1691 CONECT 1706 1690 CONECT 1707 1690 CONECT 1708 1610 CONECT 1709 1609 CONECT 1710 1606 1711 1717 1718 CONECT 1711 1710 1712 1715 1716 CONECT 1712 1711 1713 1714 CONECT 1713 1712 CONECT 1714 1712 CONECT 1715 1711 CONECT 1716 1711 CONECT 1717 1710 CONECT 1718 1710 CONECT 1719 1606 CONECT 1720 1605 CONECT 1721 1602 1722 1733 1734 CONECT 1722 1721 1723 1727 CONECT 1723 1722 1724 1732 CONECT 1724 1723 1725 1731 CONECT 1725 1724 1726 1730 CONECT 1726 1725 1727 1729 CONECT 1727 1722 1726 1728 CONECT 1728 1727 CONECT 1729 1726 CONECT 1730 1725 CONECT 1731 1724 CONECT 1732 1723 CONECT 1733 1721 CONECT 1734 1721 CONECT 1735 1602 CONECT 1736 1601 CONECT 1737 1598 1738 1751 1752 CONECT 1738 1737 1739 1749 1750 CONECT 1739 1738 1740 1747 1748 CONECT 1740 1739 1741 1745 1746 CONECT 1741 1740 1742 1743 1744 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1741 CONECT 1745 1740 CONECT 1746 1740 CONECT 1747 1739 CONECT 1748 1739 CONECT 1749 1738 CONECT 1750 1738 CONECT 1751 1737 CONECT 1752 1737 CONECT 1753 1598 CONECT 1754 1597 CONECT 1755 1594 1756 1757 1758 CONECT 1756 1755 CONECT 1757 1755 CONECT 1758 1755 CONECT 1759 1594 CONECT 1760 1593 CONECT 1761 1590 1762 1763 1764 CONECT 1762 1761 CONECT 1763 1761 CONECT 1764 1761 CONECT 1765 1590 CONECT 1766 1589 CONECT 1767 1586 1768 1769 1770 CONECT 1768 1767 CONECT 1769 1767 CONECT 1770 1767 CONECT 1771 1586 CONECT 1772 1585 CONECT 1773 1582 1774 1776 1780 CONECT 1774 1773 1775 CONECT 1775 1774 CONECT 1776 1773 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1773 CONECT 1781 1582 CONECT 1782 1581 CONECT 1783 1578 1784 1790 1791 CONECT 1784 1783 1785 1788 1789 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 CONECT 1788 1784 CONECT 1789 1784 CONECT 1790 1783 CONECT 1791 1783 CONECT 1792 1578 CONECT 1793 1577 CONECT 1794 1574 1795 1808 1809 CONECT 1795 1794 1796 1806 1807 CONECT 1796 1795 1797 1804 1805 CONECT 1797 1796 1798 1802 1803 CONECT 1798 1797 1799 1800 1801 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1798 CONECT 1802 1797 CONECT 1803 1797 CONECT 1804 1796 CONECT 1805 1796 CONECT 1806 1795 CONECT 1807 1795 CONECT 1808 1794 CONECT 1809 1794 CONECT 1810 1574 CONECT 1811 1573 CONECT 1812 1573 CONECT 1813 1573 MASTER 0 0 0 0 0 0 0 0 1812 1 253 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1j7z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
1j7z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease S(RNase S)
Ligand Name
15-mer
EC.Number
E.C.3.1.27.5
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd=0.02uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) J.Biol.Chem. Vol. 276: pp. 28789-28798
Ligand Properties
Formula
C
7
3
H
1
2
2
N
2
4
O
2
4
S
Molecular Weight
1751.960
Exact Mass
1750.880
No. of atoms
244
No. of bonds
245
Polar Surface Area
848.85
LOGP Value
-9.72 (
Computed with XLOGP3
)
-6.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CC(=O)O)CCSC)Cc1nc[nH]c1)CCC(=O)N)CCC[NH+]=C(N)N)CCC(=O)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])CCC(=O)O)C)C)C
InChI String
InChI=1S/C73H118N24O24S/c1-36(84-60(109)37(2)86-72(121)57(39(4)99)97-68(117)47(21-24-55(103)104)88-62(111)42(76)16-9-11-26-74)59(108)85-38(3)61(110)87-43(17-10-12-27-75)64(113)93-49(30-40-14-7-6-8-15-40)69(118)91-46(20-23-54(101)102)65(114)89-44(18-13-28-82-73(79)80)63(112)90-45(19-22-53(77)100)66(115)94-50(31-41-33-81-35-83-41)70(119)92-48(25-29-122-5)67(116)95-51(32-56(105)106)71(120)96-52(34-98)58(78)107/h6-8,14-15,33,35-39,42-52,57,98-99H,9-13,16-32,34,74-76H2,1-5H3,(H2,77,100)(H2,78,107)(H,81,83)(H,84,109)(H,85,108)(H,86,121)(H,87,110)(H,88,111)(H,89,114)(H,90,112)(H,91,118)(H,92,119)(H,93,113)(H,94,115)(H,95,116)(H,96,120)(H,97,117)(H,101,102)(H,103,104)(H,105,106)(H4,79,80,82)/p+4/t36-,37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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