Browse entries in the PDBbind-CN Database
HEADER 2L7U_COMPLEX COMPND 2L7U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY SER ALA GLN ASN ILE THR ALA ARG ILE GLY GLU PRO SEQRES 2 A 105 LEU VAL LEU LYS CYS LYS GLY ALA PRO LYS LYS PRO PRO SEQRES 3 A 105 GLN ARG LEU GLU TRP LYS LEU ASN THR GLY ARG THR GLU SEQRES 4 A 105 ALA TRP LYS VAL LEU SER PRO GLN GLY GLY GLY PRO TRP SEQRES 5 A 105 ASP SER VAL ALA ARG VAL LEU PRO ASN GLY SER LEU PHE SEQRES 6 A 105 LEU PRO ALA VAL GLY ILE GLN ASP GLU GLY ILE PHE ARG SEQRES 7 A 105 CYS GLN ALA MET ASN ARG ASN GLY LYS GLU THR LYS SER SEQRES 8 A 105 ASN TYR ARG VAL ARG VAL TYR GLN ILE PRO GLY LYS PRO SEQRES 9 A 105 GLU HET ASP A 106 117 SSBOND 1 CYS A 18 CYS A 79 ATOM 1 N GLY A 1 11.215 1.146 9.401 1.00 65.21 N ATOM 2 CA GLY A 1 10.509 -0.035 8.939 1.00 30.12 C ATOM 3 C GLY A 1 11.361 -0.905 8.037 1.00 14.11 C ATOM 4 O GLY A 1 11.992 -1.856 8.497 1.00 3.32 O ATOM 5 HA3 GLY A 1 9.624 0.280 8.386 1.00 0.00 H ATOM 6 HA2 GLY A 1 10.205 -0.622 9.806 1.00 0.00 H ATOM 7 HN3 GLY A 1 11.503 1.719 8.582 1.00 0.00 H ATOM 8 HN2 GLY A 1 12.058 0.857 9.937 1.00 0.00 H ATOM 9 HN1 GLY A 1 10.588 1.706 10.014 1.00 0.00 H ATOM 10 N SER A 2 11.380 -0.580 6.749 1.00 72.21 N ATOM 11 CA SER A 2 12.158 -1.343 5.778 1.00 33.42 C ATOM 12 C SER A 2 11.669 -2.786 5.706 1.00 75.13 C ATOM 13 O SER A 2 11.983 -3.602 6.570 1.00 45.50 O ATOM 14 CB SER A 2 13.643 -1.313 6.147 1.00 20.31 C ATOM 15 OG SER A 2 14.442 -1.792 5.079 1.00 35.33 O ATOM 16 HA SER A 2 12.025 -0.883 4.799 1.00 0.00 H ATOM 17 HB2 SER A 2 13.806 -1.941 7.023 1.00 0.00 H ATOM 18 HB3 SER A 2 13.933 -0.288 6.377 1.00 0.00 H ATOM 19 HG SER A 2 15.396 -1.762 5.343 1.00 0.00 H ATOM 20 H SER A 2 10.827 0.239 6.424 1.00 0.00 H ATOM 21 N ALA A 3 10.899 -3.091 4.667 1.00 74.41 N ATOM 22 CA ALA A 3 10.368 -4.435 4.478 1.00 51.32 C ATOM 23 C ALA A 3 9.669 -4.932 5.738 1.00 34.15 C ATOM 24 O ALA A 3 10.152 -5.844 6.408 1.00 11.41 O ATOM 25 CB ALA A 3 11.483 -5.392 4.078 1.00 11.24 C ATOM 26 HA ALA A 3 9.631 -4.398 3.676 1.00 0.00 H ATOM 27 HB1 ALA A 3 11.934 -5.053 3.146 1.00 0.00 H ATOM 28 HB2 ALA A 3 12.240 -5.415 4.862 1.00 0.00 H ATOM 29 HB3 ALA A 3 11.070 -6.391 3.941 1.00 0.00 H ATOM 30 H ALA A 3 10.670 -2.353 3.972 1.00 0.00 H ATOM 31 N GLN A 4 8.530 -4.325 6.056 1.00 72.53 N ATOM 32 CA GLN A 4 7.766 -4.704 7.238 1.00 51.44 C ATOM 33 C GLN A 4 6.707 -5.744 6.889 1.00 2.24 C ATOM 34 O GLN A 4 5.970 -5.591 5.915 1.00 53.03 O ATOM 35 CB GLN A 4 7.105 -3.474 7.862 1.00 63.53 C ATOM 36 CG GLN A 4 7.359 -3.337 9.354 1.00 1.04 C ATOM 37 CD GLN A 4 6.563 -2.208 9.979 1.00 10.25 C ATOM 38 OE1 GLN A 4 7.123 -1.187 10.379 1.00 32.13 O ATOM 39 NE2 GLN A 4 5.250 -2.388 10.070 1.00 50.01 N ATOM 40 HA GLN A 4 8.455 -5.141 7.961 1.00 0.00 H ATOM 41 HB2 GLN A 4 7.491 -2.585 7.363 1.00 0.00 H ATOM 42 HB3 GLN A 4 6.029 -3.541 7.700 1.00 0.00 H ATOM 43 HG2 GLN A 4 7.083 -4.271 9.843 1.00 0.00 H ATOM 44 HG3 GLN A 4 8.420 -3.145 9.512 1.00 0.00 H ATOM 45 HE22 GLN A 4 4.820 -3.267 9.719 1.00 0.00 H ATOM 46 HE21 GLN A 4 4.652 -1.650 10.493 1.00 0.00 H ATOM 47 H GLN A 4 8.175 -3.561 5.446 1.00 0.00 H ATOM 48 N ASN A 5 6.635 -6.801 7.692 1.00 51.11 N ATOM 49 CA ASN A 5 5.665 -7.867 7.467 1.00 71.32 C ATOM 50 C ASN A 5 4.360 -7.578 8.203 1.00 20.41 C ATOM 51 O ASN A 5 4.344 -7.430 9.426 1.00 42.12 O ATOM 52 CB ASN A 5 6.236 -9.210 7.927 1.00 73.23 C ATOM 53 CG ASN A 5 6.839 -9.136 9.316 1.00 15.32 C ATOM 54 OD1 ASN A 5 6.167 -9.408 10.312 1.00 61.00 O ATOM 55 ND2 ASN A 5 8.113 -8.767 9.390 1.00 2.52 N ATOM 56 HA ASN A 5 5.456 -7.915 6.398 1.00 0.00 H ATOM 57 HB2 ASN A 5 5.434 -9.948 7.932 1.00 0.00 H ATOM 58 HB3 ASN A 5 7.010 -9.521 7.225 1.00 0.00 H ATOM 59 HD22 ASN A 5 8.642 -8.547 8.522 1.00 0.00 H ATOM 60 HD21 ASN A 5 8.582 -8.698 10.316 1.00 0.00 H ATOM 61 H ASN A 5 7.286 -6.870 8.500 1.00 0.00 H ATOM 62 N ILE A 6 3.267 -7.501 7.450 1.00 73.21 N ATOM 63 CA ILE A 6 1.958 -7.233 8.030 1.00 1.04 C ATOM 64 C ILE A 6 0.949 -8.303 7.630 1.00 45.33 C ATOM 65 O ILE A 6 0.710 -8.535 6.444 1.00 53.42 O ATOM 66 CB ILE A 6 1.424 -5.854 7.599 1.00 31.12 C ATOM 67 CG1 ILE A 6 2.269 -4.738 8.220 1.00 43.23 C ATOM 68 CG2 ILE A 6 -0.037 -5.703 8.000 1.00 70.45 C ATOM 69 CD1 ILE A 6 3.448 -4.327 7.366 1.00 5.43 C ATOM 70 HA ILE A 6 2.085 -7.244 9.113 1.00 0.00 H ATOM 71 HB ILE A 6 1.494 -5.777 6.514 1.00 0.00 H ATOM 72 HG12 ILE A 6 1.632 -3.867 8.372 1.00 0.00 H ATOM 73 HG13 ILE A 6 2.644 -5.084 9.183 1.00 0.00 H ATOM 74 HD11 ILE A 6 4.102 -5.186 7.214 1.00 0.00 H ATOM 75 HD12 ILE A 6 3.089 -3.967 6.402 1.00 0.00 H ATOM 76 HD13 ILE A 6 4.000 -3.533 7.869 1.00 0.00 H ATOM 77 HG21 ILE A 6 -0.628 -6.481 7.516 1.00 0.00 H ATOM 78 HG22 ILE A 6 -0.127 -5.797 9.082 1.00 0.00 H ATOM 79 HG23 ILE A 6 -0.399 -4.723 7.688 1.00 0.00 H ATOM 80 H ILE A 6 3.349 -7.635 6.422 1.00 0.00 H ATOM 81 N THR A 7 0.358 -8.954 8.627 1.00 34.31 N ATOM 82 CA THR A 7 -0.626 -10.000 8.380 1.00 45.03 C ATOM 83 C THR A 7 -2.045 -9.443 8.430 1.00 20.01 C ATOM 84 O THR A 7 -2.357 -8.586 9.256 1.00 54.32 O ATOM 85 CB THR A 7 -0.500 -11.144 9.404 1.00 72.54 C ATOM 86 OG1 THR A 7 -0.481 -10.612 10.732 1.00 0.42 O ATOM 87 CG2 THR A 7 0.766 -11.952 9.157 1.00 0.54 C ATOM 88 HA THR A 7 -0.427 -10.392 7.383 1.00 0.00 H ATOM 89 HB THR A 7 -1.361 -11.802 9.290 1.00 0.00 H ATOM 90 HG1 THR A 7 -1.321 -10.115 10.899 1.00 0.00 H ATOM 91 HG23 THR A 7 0.747 -12.355 8.144 1.00 0.00 H ATOM 92 HG21 THR A 7 1.636 -11.307 9.276 1.00 0.00 H ATOM 93 HG22 THR A 7 0.819 -12.771 9.874 1.00 0.00 H ATOM 94 H THR A 7 0.604 -8.711 9.608 1.00 0.00 H ATOM 95 N ALA A 8 -2.901 -9.938 7.541 1.00 14.33 N ATOM 96 CA ALA A 8 -4.289 -9.491 7.486 1.00 15.40 C ATOM 97 C ALA A 8 -5.209 -10.619 7.034 1.00 22.40 C ATOM 98 O ALA A 8 -4.750 -11.650 6.545 1.00 21.04 O ATOM 99 CB ALA A 8 -4.420 -8.292 6.559 1.00 62.02 C ATOM 100 HA ALA A 8 -4.591 -9.192 8.490 1.00 0.00 H ATOM 101 HB1 ALA A 8 -3.797 -7.478 6.930 1.00 0.00 H ATOM 102 HB2 ALA A 8 -4.095 -8.572 5.557 1.00 0.00 H ATOM 103 HB3 ALA A 8 -5.461 -7.970 6.528 1.00 0.00 H ATOM 104 H ALA A 8 -2.573 -10.661 6.869 1.00 0.00 H ATOM 105 N ARG A 9 -6.512 -10.413 7.198 1.00 22.15 N ATOM 106 CA ARG A 9 -7.498 -11.414 6.808 1.00 71.24 C ATOM 107 C ARG A 9 -8.447 -10.858 5.749 1.00 12.00 C ATOM 108 O ARG A 9 -8.738 -9.662 5.729 1.00 31.12 O ATOM 109 CB ARG A 9 -8.295 -11.879 8.028 1.00 4.20 C ATOM 110 CG ARG A 9 -7.883 -13.250 8.539 1.00 33.12 C ATOM 111 CD ARG A 9 -7.517 -13.207 10.015 1.00 63.42 C ATOM 112 NE ARG A 9 -7.623 -14.522 10.642 1.00 33.15 N ATOM 113 CZ ARG A 9 -7.567 -14.716 11.955 1.00 33.24 C ATOM 114 NH1 ARG A 9 -7.407 -13.685 12.775 1.00 25.12 N ATOM 115 NH2 ARG A 9 -7.670 -15.942 12.451 1.00 70.41 N ATOM 116 HA ARG A 9 -6.966 -12.266 6.384 1.00 0.00 H ATOM 117 HB2 ARG A 9 -8.151 -11.155 8.830 1.00 0.00 H ATOM 118 HB3 ARG A 9 -9.350 -11.915 7.757 1.00 0.00 H ATOM 119 HG2 ARG A 9 -8.712 -13.944 8.399 1.00 0.00 H ATOM 120 HG3 ARG A 9 -7.020 -13.596 7.970 1.00 0.00 H ATOM 121 HD2 ARG A 9 -8.190 -12.518 10.525 1.00 0.00 H ATOM 122 HD3 ARG A 9 -6.491 -12.851 10.114 1.00 0.00 H ATOM 123 HE ARG A 9 -7.749 -15.351 10.027 1.00 0.00 H ATOM 124 HH12 ARG A 9 -7.363 -13.840 13.803 1.00 0.00 H ATOM 125 HH11 ARG A 9 -7.325 -12.722 12.390 1.00 0.00 H ATOM 126 HH22 ARG A 9 -7.626 -16.092 13.479 1.00 0.00 H ATOM 127 HH21 ARG A 9 -7.795 -16.753 11.812 1.00 0.00 H ATOM 128 H ARG A 9 -6.836 -9.517 7.614 1.00 0.00 H ATOM 129 N ILE A 10 -8.923 -11.734 4.871 1.00 10.02 N ATOM 130 CA ILE A 10 -9.837 -11.331 3.810 1.00 60.41 C ATOM 131 C ILE A 10 -11.029 -10.564 4.373 1.00 35.05 C ATOM 132 O ILE A 10 -11.782 -11.082 5.197 1.00 13.31 O ATOM 133 CB ILE A 10 -10.352 -12.548 3.018 1.00 61.44 C ATOM 134 CG1 ILE A 10 -9.185 -13.296 2.375 1.00 43.31 C ATOM 135 CG2 ILE A 10 -11.353 -12.105 1.961 1.00 51.32 C ATOM 136 CD1 ILE A 10 -9.419 -14.785 2.244 1.00 61.40 C ATOM 137 HA ILE A 10 -9.274 -10.682 3.139 1.00 0.00 H ATOM 138 HB ILE A 10 -10.856 -13.226 3.707 1.00 0.00 H ATOM 139 HG12 ILE A 10 -9.018 -12.884 1.380 1.00 0.00 H ATOM 140 HG13 ILE A 10 -8.296 -13.139 2.986 1.00 0.00 H ATOM 141 HD11 ILE A 10 -9.577 -15.215 3.233 1.00 0.00 H ATOM 142 HD12 ILE A 10 -10.299 -14.960 1.625 1.00 0.00 H ATOM 143 HD13 ILE A 10 -8.549 -15.249 1.779 1.00 0.00 H ATOM 144 HG21 ILE A 10 -12.196 -11.612 2.445 1.00 0.00 H ATOM 145 HG22 ILE A 10 -10.870 -11.411 1.273 1.00 0.00 H ATOM 146 HG23 ILE A 10 -11.707 -12.976 1.410 1.00 0.00 H ATOM 147 H ILE A 10 -8.636 -12.731 4.943 1.00 0.00 H ATOM 148 N GLY A 11 -11.195 -9.324 3.922 1.00 34.43 N ATOM 149 CA GLY A 11 -12.297 -8.506 4.392 1.00 73.23 C ATOM 150 C GLY A 11 -11.940 -7.706 5.630 1.00 62.41 C ATOM 151 O GLY A 11 -12.807 -7.090 6.249 1.00 71.32 O ATOM 152 HA3 GLY A 11 -13.140 -9.156 4.627 1.00 0.00 H ATOM 153 HA2 GLY A 11 -12.583 -7.815 3.599 1.00 0.00 H ATOM 154 H GLY A 11 -10.528 -8.937 3.225 1.00 0.00 H ATOM 155 N GLU A 12 -10.662 -7.716 5.991 1.00 53.13 N ATOM 156 CA GLU A 12 -10.193 -6.988 7.164 1.00 61.30 C ATOM 157 C GLU A 12 -9.516 -5.682 6.759 1.00 34.22 C ATOM 158 O GLU A 12 -8.752 -5.622 5.795 1.00 3.32 O ATOM 159 CB GLU A 12 -9.223 -7.850 7.974 1.00 73.43 C ATOM 160 CG GLU A 12 -9.842 -9.133 8.500 1.00 1.13 C ATOM 161 CD GLU A 12 -11.234 -8.921 9.065 1.00 51.04 C ATOM 162 OE1 GLU A 12 -11.380 -8.094 9.988 1.00 11.32 O ATOM 163 OE2 GLU A 12 -12.177 -9.583 8.581 1.00 31.12 O ATOM 164 HA GLU A 12 -11.059 -6.751 7.783 1.00 0.00 H ATOM 165 HB2 GLU A 12 -8.379 -8.111 7.336 1.00 0.00 H ATOM 166 HB3 GLU A 12 -8.868 -7.265 8.823 1.00 0.00 H ATOM 167 HG2 GLU A 12 -9.902 -9.852 7.683 1.00 0.00 H ATOM 168 HG3 GLU A 12 -9.203 -9.532 9.287 1.00 0.00 H ATOM 169 H GLU A 12 -9.979 -8.256 5.423 1.00 0.00 H ATOM 170 N PRO A 13 -9.800 -4.609 7.514 1.00 43.21 N ATOM 171 CA PRO A 13 -9.230 -3.285 7.253 1.00 54.44 C ATOM 172 C PRO A 13 -7.736 -3.228 7.560 1.00 34.44 C ATOM 173 O PRO A 13 -7.265 -3.842 8.518 1.00 72.32 O ATOM 174 CB PRO A 13 -10.006 -2.371 8.202 1.00 3.02 C ATOM 175 CG PRO A 13 -10.455 -3.264 9.307 1.00 14.21 C ATOM 176 CD PRO A 13 -10.702 -4.608 8.678 1.00 44.32 C ATOM 177 HA PRO A 13 -9.316 -3.003 6.204 1.00 0.00 H ATOM 178 HD3 PRO A 13 -10.451 -5.414 9.367 1.00 0.00 H ATOM 179 HD2 PRO A 13 -11.742 -4.708 8.367 1.00 0.00 H ATOM 180 HG3 PRO A 13 -11.372 -2.881 9.756 1.00 0.00 H ATOM 181 HG2 PRO A 13 -9.682 -3.339 10.072 1.00 0.00 H ATOM 182 HB2 PRO A 13 -9.362 -1.579 8.585 1.00 0.00 H ATOM 183 HB3 PRO A 13 -10.862 -1.928 7.694 1.00 0.00 H ATOM 184 N LEU A 14 -6.997 -2.484 6.743 1.00 4.32 N ATOM 185 CA LEU A 14 -5.557 -2.346 6.928 1.00 32.50 C ATOM 186 C LEU A 14 -5.088 -0.953 6.522 1.00 21.23 C ATOM 187 O LEU A 14 -5.568 -0.386 5.540 1.00 41.34 O ATOM 188 CB LEU A 14 -4.814 -3.405 6.113 1.00 62.31 C ATOM 189 CG LEU A 14 -3.384 -3.715 6.558 1.00 71.42 C ATOM 190 CD1 LEU A 14 -3.389 -4.493 7.864 1.00 33.34 C ATOM 191 CD2 LEU A 14 -2.643 -4.487 5.476 1.00 35.14 C ATOM 192 HA LEU A 14 -5.336 -2.490 7.985 1.00 0.00 H ATOM 193 HB2 LEU A 14 -5.388 -4.330 6.167 1.00 0.00 H ATOM 194 HB3 LEU A 14 -4.775 -3.063 5.079 1.00 0.00 H ATOM 195 HG LEU A 14 -2.863 -2.772 6.723 1.00 0.00 H ATOM 196 HD21 LEU A 14 -3.164 -5.424 5.279 1.00 0.00 H ATOM 197 HD22 LEU A 14 -2.609 -3.890 4.564 1.00 0.00 H ATOM 198 HD23 LEU A 14 -1.628 -4.698 5.812 1.00 0.00 H ATOM 199 HD11 LEU A 14 -3.880 -3.901 8.636 1.00 0.00 H ATOM 200 HD12 LEU A 14 -3.928 -5.430 7.725 1.00 0.00 H ATOM 201 HD13 LEU A 14 -2.362 -4.704 8.164 1.00 0.00 H ATOM 202 H LEU A 14 -7.457 -1.988 5.953 1.00 0.00 H ATOM 203 N VAL A 15 -4.145 -0.406 7.282 1.00 14.21 N ATOM 204 CA VAL A 15 -3.608 0.919 7.000 1.00 73.54 C ATOM 205 C VAL A 15 -2.085 0.894 6.934 1.00 43.21 C ATOM 206 O VAL A 15 -1.430 0.217 7.729 1.00 31.14 O ATOM 207 CB VAL A 15 -4.047 1.942 8.065 1.00 73.42 C ATOM 208 CG1 VAL A 15 -3.550 3.334 7.706 1.00 74.31 C ATOM 209 CG2 VAL A 15 -5.560 1.931 8.223 1.00 53.45 C ATOM 210 HA VAL A 15 -4.006 1.220 6.031 1.00 0.00 H ATOM 211 HB VAL A 15 -3.603 1.659 9.020 1.00 0.00 H ATOM 212 HG11 VAL A 15 -2.461 3.326 7.650 1.00 0.00 H ATOM 213 HG12 VAL A 15 -3.963 3.628 6.741 1.00 0.00 H ATOM 214 HG13 VAL A 15 -3.871 4.041 8.471 1.00 0.00 H ATOM 215 HG21 VAL A 15 -6.025 2.188 7.271 1.00 0.00 H ATOM 216 HG22 VAL A 15 -5.885 0.937 8.531 1.00 0.00 H ATOM 217 HG23 VAL A 15 -5.850 2.660 8.979 1.00 0.00 H ATOM 218 H VAL A 15 -3.781 -0.937 8.099 1.00 0.00 H ATOM 219 N LEU A 16 -1.527 1.633 5.983 1.00 50.12 N ATOM 220 CA LEU A 16 -0.078 1.695 5.812 1.00 31.13 C ATOM 221 C LEU A 16 0.392 3.140 5.675 1.00 12.11 C ATOM 222 O LEU A 16 -0.331 3.993 5.162 1.00 13.30 O ATOM 223 CB LEU A 16 0.346 0.890 4.583 1.00 1.21 C ATOM 224 CG LEU A 16 0.219 -0.629 4.700 1.00 40.21 C ATOM 225 CD1 LEU A 16 0.763 -1.308 3.452 1.00 31.22 C ATOM 226 CD2 LEU A 16 0.942 -1.133 5.940 1.00 60.50 C ATOM 227 HA LEU A 16 0.387 1.263 6.698 1.00 0.00 H ATOM 228 HB2 LEU A 16 -0.270 1.213 3.744 1.00 0.00 H ATOM 229 HB3 LEU A 16 1.391 1.123 4.376 1.00 0.00 H ATOM 230 HG LEU A 16 -0.838 -0.878 4.794 1.00 0.00 H ATOM 231 HD21 LEU A 16 1.998 -0.870 5.875 1.00 0.00 H ATOM 232 HD22 LEU A 16 0.505 -0.672 6.826 1.00 0.00 H ATOM 233 HD23 LEU A 16 0.839 -2.216 6.004 1.00 0.00 H ATOM 234 HD11 LEU A 16 0.199 -0.971 2.582 1.00 0.00 H ATOM 235 HD12 LEU A 16 1.814 -1.049 3.328 1.00 0.00 H ATOM 236 HD13 LEU A 16 0.663 -2.389 3.555 1.00 0.00 H ATOM 237 H LEU A 16 -2.137 2.182 5.344 1.00 0.00 H ATOM 238 N LYS A 17 1.608 3.406 6.138 1.00 53.41 N ATOM 239 CA LYS A 17 2.179 4.745 6.065 1.00 33.50 C ATOM 240 C LYS A 17 3.362 4.781 5.102 1.00 30.34 C ATOM 241 O LYS A 17 4.032 3.771 4.887 1.00 43.11 O ATOM 242 CB LYS A 17 2.622 5.210 7.453 1.00 15.41 C ATOM 243 CG LYS A 17 3.022 6.674 7.506 1.00 55.31 C ATOM 244 CD LYS A 17 3.010 7.205 8.931 1.00 64.14 C ATOM 245 CE LYS A 17 1.603 7.562 9.380 1.00 60.14 C ATOM 246 NZ LYS A 17 1.608 8.595 10.453 1.00 43.13 N ATOM 247 HA LYS A 17 1.409 5.421 5.692 1.00 0.00 H ATOM 248 HB2 LYS A 17 1.798 5.052 8.149 1.00 0.00 H ATOM 249 HB3 LYS A 17 3.476 4.608 7.762 1.00 0.00 H ATOM 250 HG2 LYS A 17 4.026 6.782 7.096 1.00 0.00 H ATOM 251 HG3 LYS A 17 2.322 7.255 6.906 1.00 0.00 H ATOM 252 HD2 LYS A 17 3.412 6.442 9.597 1.00 0.00 H ATOM 253 HD3 LYS A 17 3.635 8.096 8.983 1.00 0.00 H ATOM 254 HE2 LYS A 17 1.115 6.664 9.758 1.00 0.00 H ATOM 255 HE3 LYS A 17 1.046 7.945 8.525 1.00 0.00 H ATOM 256 HZ1 LYS A 17 2.132 8.235 11.276 1.00 0.00 H ATOM 257 HZ2 LYS A 17 2.067 9.459 10.099 1.00 0.00 H ATOM 258 HZ3 LYS A 17 0.629 8.810 10.730 1.00 0.00 H ATOM 259 H LYS A 17 2.167 2.639 6.564 1.00 0.00 H ATOM 260 N CYS A 18 3.616 5.952 4.527 1.00 14.34 N ATOM 261 CA CYS A 18 4.719 6.120 3.589 1.00 60.44 C ATOM 262 C CYS A 18 5.870 6.887 4.234 1.00 45.41 C ATOM 263 O CYS A 18 5.832 8.113 4.343 1.00 62.40 O ATOM 264 CB CYS A 18 4.242 6.857 2.335 1.00 51.42 C ATOM 265 SG CYS A 18 5.578 7.304 1.181 1.00 13.05 S ATOM 266 HA CYS A 18 5.077 5.130 3.308 1.00 0.00 H ATOM 267 HB2 CYS A 18 3.738 7.772 2.646 1.00 0.00 H ATOM 268 HB3 CYS A 18 3.535 6.215 1.809 1.00 0.00 H ATOM 269 H CYS A 18 3.013 6.769 4.752 1.00 0.00 H ATOM 270 N LYS A 19 6.894 6.157 4.661 1.00 53.21 N ATOM 271 CA LYS A 19 8.058 6.765 5.295 1.00 74.11 C ATOM 272 C LYS A 19 8.654 7.852 4.407 1.00 51.11 C ATOM 273 O LYS A 19 8.921 7.626 3.226 1.00 35.33 O ATOM 274 CB LYS A 19 9.115 5.701 5.596 1.00 63.03 C ATOM 275 CG LYS A 19 8.554 4.457 6.263 1.00 3.32 C ATOM 276 CD LYS A 19 7.770 4.803 7.517 1.00 11.12 C ATOM 277 CE LYS A 19 8.655 5.463 8.564 1.00 32.24 C ATOM 278 NZ LYS A 19 7.971 5.568 9.883 1.00 4.33 N ATOM 279 HA LYS A 19 7.734 7.221 6.231 1.00 0.00 H ATOM 280 HB2 LYS A 19 9.585 5.407 4.658 1.00 0.00 H ATOM 281 HB3 LYS A 19 9.865 6.137 6.256 1.00 0.00 H ATOM 282 HG2 LYS A 19 7.894 3.946 5.562 1.00 0.00 H ATOM 283 HG3 LYS A 19 9.378 3.796 6.531 1.00 0.00 H ATOM 284 HD2 LYS A 19 6.963 5.487 7.253 1.00 0.00 H ATOM 285 HD3 LYS A 19 7.348 3.889 7.935 1.00 0.00 H ATOM 286 HE2 LYS A 19 8.919 6.464 8.223 1.00 0.00 H ATOM 287 HE3 LYS A 19 9.562 4.871 8.683 1.00 0.00 H ATOM 288 HZ1 LYS A 19 7.107 6.138 9.780 1.00 0.00 H ATOM 289 HZ2 LYS A 19 7.722 4.616 10.220 1.00 0.00 H ATOM 290 HZ3 LYS A 19 8.608 6.023 10.567 1.00 0.00 H ATOM 291 H LYS A 19 6.865 5.124 4.540 1.00 0.00 H ATOM 292 N GLY A 20 8.863 9.032 4.983 1.00 40.44 N ATOM 293 CA GLY A 20 9.428 10.136 4.228 1.00 13.34 C ATOM 294 C GLY A 20 8.560 11.377 4.278 1.00 2.13 C ATOM 295 O GLY A 20 9.066 12.492 4.402 1.00 64.43 O ATOM 296 HA3 GLY A 20 9.539 9.828 3.188 1.00 0.00 H ATOM 297 HA2 GLY A 20 10.408 10.377 4.641 1.00 0.00 H ATOM 298 H GLY A 20 8.619 9.166 5.985 1.00 0.00 H ATOM 299 N ALA A 21 7.248 11.184 4.181 1.00 13.11 N ATOM 300 CA ALA A 21 6.308 12.297 4.216 1.00 41.31 C ATOM 301 C ALA A 21 5.843 12.578 5.642 1.00 72.05 C ATOM 302 O ALA A 21 5.419 11.681 6.369 1.00 5.43 O ATOM 303 CB ALA A 21 5.114 12.007 3.317 1.00 34.51 C ATOM 304 HA ALA A 21 6.820 13.186 3.847 1.00 0.00 H ATOM 305 HB1 ALA A 21 5.458 11.863 2.293 1.00 0.00 H ATOM 306 HB2 ALA A 21 4.611 11.104 3.663 1.00 0.00 H ATOM 307 HB3 ALA A 21 4.421 12.847 3.354 1.00 0.00 H ATOM 308 H ALA A 21 6.884 10.215 4.078 1.00 0.00 H ATOM 309 N PRO A 22 5.925 13.854 6.050 1.00 3.15 N ATOM 310 CA PRO A 22 5.517 14.281 7.392 1.00 42.11 C ATOM 311 C PRO A 22 4.006 14.213 7.588 1.00 74.54 C ATOM 312 O PRO A 22 3.297 13.574 6.810 1.00 34.32 O ATOM 313 CB PRO A 22 6.000 15.732 7.463 1.00 61.33 C ATOM 314 CG PRO A 22 6.048 16.185 6.043 1.00 11.13 C ATOM 315 CD PRO A 22 6.421 14.974 5.234 1.00 30.34 C ATOM 316 HA PRO A 22 5.933 13.639 8.168 1.00 0.00 H ATOM 317 HD3 PRO A 22 5.935 14.991 4.258 1.00 0.00 H ATOM 318 HD2 PRO A 22 7.501 14.911 5.100 1.00 0.00 H ATOM 319 HG3 PRO A 22 6.796 16.968 5.920 1.00 0.00 H ATOM 320 HG2 PRO A 22 5.074 16.563 5.733 1.00 0.00 H ATOM 321 HB2 PRO A 22 5.303 16.342 8.038 1.00 0.00 H ATOM 322 HB3 PRO A 22 6.989 15.786 7.918 1.00 0.00 H ATOM 323 N LYS A 23 3.519 14.874 8.632 1.00 74.14 N ATOM 324 CA LYS A 23 2.092 14.890 8.930 1.00 1.20 C ATOM 325 C LYS A 23 1.279 15.220 7.683 1.00 65.00 C ATOM 326 O LYS A 23 0.314 14.527 7.358 1.00 50.04 O ATOM 327 CB LYS A 23 1.792 15.911 10.031 1.00 51.31 C ATOM 328 CG LYS A 23 2.555 15.657 11.320 1.00 43.22 C ATOM 329 CD LYS A 23 2.260 14.275 11.880 1.00 53.12 C ATOM 330 CE LYS A 23 2.664 14.168 13.342 1.00 14.01 C ATOM 331 NZ LYS A 23 2.622 12.762 13.829 1.00 43.30 N ATOM 332 HA LYS A 23 1.807 13.896 9.275 1.00 0.00 H ATOM 333 HB2 LYS A 23 2.056 16.902 9.663 1.00 0.00 H ATOM 334 HB3 LYS A 23 0.725 15.879 10.250 1.00 0.00 H ATOM 335 HG2 LYS A 23 3.624 15.738 11.121 1.00 0.00 H ATOM 336 HG3 LYS A 23 2.266 16.407 12.056 1.00 0.00 H ATOM 337 HD2 LYS A 23 1.192 14.078 11.792 1.00 0.00 H ATOM 338 HD3 LYS A 23 2.814 13.534 11.304 1.00 0.00 H ATOM 339 HE2 LYS A 23 1.981 14.769 13.942 1.00 0.00 H ATOM 340 HE3 LYS A 23 3.678 14.551 13.456 1.00 0.00 H ATOM 341 HZ1 LYS A 23 1.656 12.391 13.730 1.00 0.00 H ATOM 342 HZ2 LYS A 23 3.277 12.182 13.267 1.00 0.00 H ATOM 343 HZ3 LYS A 23 2.904 12.734 14.830 1.00 0.00 H ATOM 344 H LYS A 23 4.172 15.393 9.253 1.00 0.00 H ATOM 345 N LYS A 24 1.675 16.280 6.986 1.00 14.00 N ATOM 346 CA LYS A 24 0.986 16.699 5.772 1.00 31.42 C ATOM 347 C LYS A 24 1.850 16.448 4.541 1.00 45.31 C ATOM 348 O LYS A 24 3.079 16.477 4.599 1.00 51.22 O ATOM 349 CB LYS A 24 0.619 18.183 5.856 1.00 55.34 C ATOM 350 CG LYS A 24 1.701 19.042 6.487 1.00 1.21 C ATOM 351 CD LYS A 24 2.948 19.095 5.619 1.00 11.04 C ATOM 352 CE LYS A 24 3.645 20.442 5.729 1.00 32.11 C ATOM 353 NZ LYS A 24 2.834 21.537 5.128 1.00 33.14 N ATOM 354 HA LYS A 24 0.074 16.109 5.680 1.00 0.00 H ATOM 355 HB2 LYS A 24 0.432 18.550 4.847 1.00 0.00 H ATOM 356 HB3 LYS A 24 -0.289 18.281 6.451 1.00 0.00 H ATOM 357 HG2 LYS A 24 1.318 20.054 6.619 1.00 0.00 H ATOM 358 HG3 LYS A 24 1.963 18.624 7.459 1.00 0.00 H ATOM 359 HD2 LYS A 24 3.636 18.312 5.938 1.00 0.00 H ATOM 360 HD3 LYS A 24 2.665 18.926 4.580 1.00 0.00 H ATOM 361 HE2 LYS A 24 4.603 20.387 5.211 1.00 0.00 H ATOM 362 HE3 LYS A 24 3.815 20.666 6.782 1.00 0.00 H ATOM 363 HZ1 LYS A 24 2.672 21.334 4.121 1.00 0.00 H ATOM 364 HZ2 LYS A 24 1.920 21.601 5.621 1.00 0.00 H ATOM 365 HZ3 LYS A 24 3.345 22.438 5.224 1.00 0.00 H ATOM 366 H LYS A 24 2.498 16.824 7.315 1.00 0.00 H ATOM 367 N PRO A 25 1.195 16.195 3.398 1.00 24.44 N ATOM 368 CA PRO A 25 1.883 15.935 2.131 1.00 54.11 C ATOM 369 C PRO A 25 2.568 17.181 1.577 1.00 45.20 C ATOM 370 O PRO A 25 1.919 18.126 1.127 1.00 12.34 O ATOM 371 CB PRO A 25 0.755 15.485 1.199 1.00 32.12 C ATOM 372 CG PRO A 25 -0.474 16.107 1.766 1.00 42.53 C ATOM 373 CD PRO A 25 -0.271 16.144 3.256 1.00 2.31 C ATOM 374 HA PRO A 25 2.679 15.199 2.243 1.00 0.00 H ATOM 375 HD3 PRO A 25 -0.737 17.028 3.692 1.00 0.00 H ATOM 376 HD2 PRO A 25 -0.678 15.250 3.728 1.00 0.00 H ATOM 377 HG3 PRO A 25 -1.351 15.509 1.518 1.00 0.00 H ATOM 378 HG2 PRO A 25 -0.602 17.117 1.376 1.00 0.00 H ATOM 379 HB2 PRO A 25 0.931 15.838 0.183 1.00 0.00 H ATOM 380 HB3 PRO A 25 0.670 14.398 1.195 1.00 0.00 H ATOM 381 N PRO A 26 3.908 17.183 1.608 1.00 12.10 N ATOM 382 CA PRO A 26 4.709 18.306 1.112 1.00 43.51 C ATOM 383 C PRO A 26 4.646 18.437 -0.405 1.00 40.23 C ATOM 384 O PRO A 26 3.839 19.197 -0.939 1.00 3.01 O ATOM 385 CB PRO A 26 6.131 17.953 1.560 1.00 24.44 C ATOM 386 CG PRO A 26 6.131 16.469 1.684 1.00 44.41 C ATOM 387 CD PRO A 26 4.747 16.090 2.130 1.00 25.14 C ATOM 388 HA PRO A 26 4.352 19.262 1.495 1.00 0.00 H ATOM 389 HD3 PRO A 26 4.449 15.132 1.705 1.00 0.00 H ATOM 390 HD2 PRO A 26 4.688 16.038 3.217 1.00 0.00 H ATOM 391 HG3 PRO A 26 6.867 16.150 2.422 1.00 0.00 H ATOM 392 HG2 PRO A 26 6.359 16.008 0.723 1.00 0.00 H ATOM 393 HB2 PRO A 26 6.860 18.277 0.817 1.00 0.00 H ATOM 394 HB3 PRO A 26 6.359 18.419 2.519 1.00 0.00 H ATOM 395 N GLN A 27 5.505 17.690 -1.095 1.00 24.51 N ATOM 396 CA GLN A 27 5.546 17.725 -2.553 1.00 42.01 C ATOM 397 C GLN A 27 4.874 16.490 -3.145 1.00 3.41 C ATOM 398 O GLN A 27 4.347 15.649 -2.417 1.00 51.43 O ATOM 399 CB GLN A 27 6.993 17.818 -3.041 1.00 24.53 C ATOM 400 CG GLN A 27 7.612 19.192 -2.849 1.00 3.22 C ATOM 401 CD GLN A 27 8.169 19.391 -1.454 1.00 2.30 C ATOM 402 OE1 GLN A 27 8.647 18.448 -0.823 1.00 41.24 O ATOM 403 NE2 GLN A 27 8.112 20.625 -0.963 1.00 52.43 N ATOM 404 HA GLN A 27 5.001 18.608 -2.887 1.00 0.00 H ATOM 405 HB2 GLN A 27 7.590 17.091 -2.491 1.00 0.00 H ATOM 406 HB3 GLN A 27 7.015 17.575 -4.103 1.00 0.00 H ATOM 407 HG2 GLN A 27 8.421 19.314 -3.569 1.00 0.00 H ATOM 408 HG3 GLN A 27 6.848 19.948 -3.031 1.00 0.00 H ATOM 409 HE22 GLN A 27 7.699 21.392 -1.531 1.00 0.00 H ATOM 410 HE21 GLN A 27 8.480 20.823 -0.011 1.00 0.00 H ATOM 411 H GLN A 27 6.162 17.067 -0.583 1.00 0.00 H ATOM 412 N ARG A 28 4.896 16.388 -4.469 1.00 52.04 N ATOM 413 CA ARG A 28 4.289 15.257 -5.160 1.00 32.32 C ATOM 414 C ARG A 28 5.001 13.956 -4.801 1.00 61.23 C ATOM 415 O ARG A 28 6.220 13.928 -4.634 1.00 72.13 O ATOM 416 CB ARG A 28 4.330 15.474 -6.674 1.00 15.31 C ATOM 417 CG ARG A 28 3.102 16.184 -7.221 1.00 14.51 C ATOM 418 CD ARG A 28 3.101 17.658 -6.851 1.00 73.23 C ATOM 419 NE ARG A 28 2.573 17.886 -5.509 1.00 73.54 N ATOM 420 CZ ARG A 28 2.665 19.047 -4.870 1.00 63.12 C ATOM 421 NH1 ARG A 28 3.262 20.081 -5.449 1.00 42.04 N ATOM 422 NH2 ARG A 28 2.160 19.176 -3.651 1.00 63.40 N ATOM 423 HA ARG A 28 3.250 15.183 -4.840 1.00 0.00 H ATOM 424 HB2 ARG A 28 5.209 16.072 -6.913 1.00 0.00 H ATOM 425 HB3 ARG A 28 4.411 14.502 -7.160 1.00 0.00 H ATOM 426 HG2 ARG A 28 3.093 16.091 -8.307 1.00 0.00 H ATOM 427 HG3 ARG A 28 2.208 15.715 -6.810 1.00 0.00 H ATOM 428 HD2 ARG A 28 2.485 18.201 -7.568 1.00 0.00 H ATOM 429 HD3 ARG A 28 4.124 18.033 -6.895 1.00 0.00 H ATOM 430 HE ARG A 28 2.099 17.096 -5.027 1.00 0.00 H ATOM 431 HH12 ARG A 28 3.333 20.989 -4.947 1.00 0.00 H ATOM 432 HH11 ARG A 28 3.659 19.984 -6.405 1.00 0.00 H ATOM 433 HH22 ARG A 28 2.233 20.085 -3.152 1.00 0.00 H ATOM 434 HH21 ARG A 28 1.691 18.368 -3.194 1.00 0.00 H ATOM 435 H ARG A 28 5.358 17.134 -5.027 1.00 0.00 H ATOM 436 N LEU A 29 4.231 12.880 -4.685 1.00 24.02 N ATOM 437 CA LEU A 29 4.787 11.575 -4.345 1.00 60.03 C ATOM 438 C LEU A 29 4.180 10.480 -5.220 1.00 33.13 C ATOM 439 O LEU A 29 3.028 10.577 -5.641 1.00 33.43 O ATOM 440 CB LEU A 29 4.539 11.260 -2.870 1.00 13.41 C ATOM 441 CG LEU A 29 3.147 11.602 -2.335 1.00 40.30 C ATOM 442 CD1 LEU A 29 2.109 10.646 -2.900 1.00 40.23 C ATOM 443 CD2 LEU A 29 3.138 11.565 -0.814 1.00 24.44 C ATOM 444 HA LEU A 29 5.861 11.607 -4.527 1.00 0.00 H ATOM 445 HB2 LEU A 29 4.699 10.191 -2.726 1.00 0.00 H ATOM 446 HB3 LEU A 29 5.268 11.818 -2.283 1.00 0.00 H ATOM 447 HG LEU A 29 2.892 12.612 -2.656 1.00 0.00 H ATOM 448 HD21 LEU A 29 3.413 10.567 -0.474 1.00 0.00 H ATOM 449 HD22 LEU A 29 3.854 12.291 -0.430 1.00 0.00 H ATOM 450 HD23 LEU A 29 2.140 11.811 -0.452 1.00 0.00 H ATOM 451 HD11 LEU A 29 2.100 10.723 -3.987 1.00 0.00 H ATOM 452 HD12 LEU A 29 2.360 9.626 -2.609 1.00 0.00 H ATOM 453 HD13 LEU A 29 1.126 10.906 -2.508 1.00 0.00 H ATOM 454 H LEU A 29 3.207 12.970 -4.840 1.00 0.00 H ATOM 455 N GLU A 30 4.963 9.439 -5.484 1.00 51.31 N ATOM 456 CA GLU A 30 4.501 8.326 -6.306 1.00 71.24 C ATOM 457 C GLU A 30 4.570 7.014 -5.532 1.00 51.12 C ATOM 458 O GLU A 30 5.612 6.658 -4.982 1.00 33.31 O ATOM 459 CB GLU A 30 5.340 8.224 -7.582 1.00 14.32 C ATOM 460 CG GLU A 30 4.738 7.308 -8.634 1.00 13.10 C ATOM 461 CD GLU A 30 3.738 8.022 -9.523 1.00 43.45 C ATOM 462 OE1 GLU A 30 3.393 9.181 -9.217 1.00 75.43 O ATOM 463 OE2 GLU A 30 3.300 7.419 -10.526 1.00 55.20 O ATOM 464 HA GLU A 30 3.462 8.513 -6.577 1.00 0.00 H ATOM 465 HB2 GLU A 30 5.440 9.222 -8.010 1.00 0.00 H ATOM 466 HB3 GLU A 30 6.326 7.843 -7.317 1.00 0.00 H ATOM 467 HG2 GLU A 30 5.542 6.915 -9.257 1.00 0.00 H ATOM 468 HG3 GLU A 30 4.233 6.483 -8.132 1.00 0.00 H ATOM 469 H GLU A 30 5.927 9.417 -5.096 1.00 0.00 H ATOM 470 N TRP A 31 3.452 6.297 -5.494 1.00 54.02 N ATOM 471 CA TRP A 31 3.384 5.024 -4.787 1.00 54.35 C ATOM 472 C TRP A 31 3.065 3.884 -5.747 1.00 61.05 C ATOM 473 O TRP A 31 2.312 4.058 -6.705 1.00 30.21 O ATOM 474 CB TRP A 31 2.329 5.085 -3.682 1.00 34.23 C ATOM 475 CG TRP A 31 2.520 6.238 -2.741 1.00 14.42 C ATOM 476 CD1 TRP A 31 3.688 6.899 -2.483 1.00 0.43 C ATOM 477 CD2 TRP A 31 1.516 6.860 -1.934 1.00 52.32 C ATOM 478 NE1 TRP A 31 3.469 7.895 -1.563 1.00 14.33 N ATOM 479 CE2 TRP A 31 2.145 7.894 -1.211 1.00 23.41 C ATOM 480 CE3 TRP A 31 0.147 6.649 -1.753 1.00 14.12 C ATOM 481 CZ2 TRP A 31 1.450 8.708 -0.322 1.00 62.31 C ATOM 482 CZ3 TRP A 31 -0.542 7.458 -0.870 1.00 52.20 C ATOM 483 CH2 TRP A 31 0.111 8.479 -0.164 1.00 5.11 C ATOM 484 HA TRP A 31 4.359 4.835 -4.338 1.00 0.00 H ATOM 485 HB2 TRP A 31 1.347 5.176 -4.146 1.00 0.00 H ATOM 486 HB3 TRP A 31 2.374 4.159 -3.109 1.00 0.00 H ATOM 487 HE1 TRP A 31 4.192 8.545 -1.193 1.00 0.00 H ATOM 488 HD1 TRP A 31 4.651 6.670 -2.940 1.00 0.00 H ATOM 489 HZ2 TRP A 31 1.955 9.501 0.229 1.00 0.00 H ATOM 490 HH2 TRP A 31 -0.460 9.102 0.524 1.00 0.00 H ATOM 491 HZ3 TRP A 31 -1.610 7.300 -0.720 1.00 0.00 H ATOM 492 HE3 TRP A 31 -0.369 5.859 -2.299 1.00 0.00 H ATOM 493 H TRP A 31 2.605 6.653 -5.981 1.00 0.00 H ATOM 494 N LYS A 32 3.644 2.716 -5.487 1.00 63.52 N ATOM 495 CA LYS A 32 3.420 1.546 -6.328 1.00 53.14 C ATOM 496 C LYS A 32 3.205 0.298 -5.478 1.00 11.21 C ATOM 497 O LYS A 32 3.885 0.096 -4.470 1.00 24.03 O ATOM 498 CB LYS A 32 4.606 1.336 -7.271 1.00 70.32 C ATOM 499 CG LYS A 32 4.293 0.431 -8.450 1.00 61.44 C ATOM 500 CD LYS A 32 5.047 0.860 -9.698 1.00 60.43 C ATOM 501 CE LYS A 32 4.556 2.206 -10.211 1.00 41.45 C ATOM 502 NZ LYS A 32 4.540 2.259 -11.699 1.00 73.53 N ATOM 503 HA LYS A 32 2.521 1.721 -6.919 1.00 0.00 H ATOM 504 HB2 LYS A 32 4.917 2.307 -7.655 1.00 0.00 H ATOM 505 HB3 LYS A 32 5.424 0.892 -6.703 1.00 0.00 H ATOM 506 HG2 LYS A 32 4.577 -0.591 -8.198 1.00 0.00 H ATOM 507 HG3 LYS A 32 3.223 0.470 -8.652 1.00 0.00 H ATOM 508 HD2 LYS A 32 6.108 0.936 -9.462 1.00 0.00 H ATOM 509 HD3 LYS A 32 4.902 0.110 -10.475 1.00 0.00 H ATOM 510 HE2 LYS A 32 5.216 2.989 -9.837 1.00 0.00 H ATOM 511 HE3 LYS A 32 3.545 2.378 -9.841 1.00 0.00 H ATOM 512 HZ1 LYS A 32 5.503 2.103 -12.061 1.00 0.00 H ATOM 513 HZ2 LYS A 32 3.907 1.519 -12.064 1.00 0.00 H ATOM 514 HZ3 LYS A 32 4.200 3.192 -12.008 1.00 0.00 H ATOM 515 H LYS A 32 4.273 2.635 -4.663 1.00 0.00 H ATOM 516 N LEU A 33 2.258 -0.537 -5.889 1.00 61.45 N ATOM 517 CA LEU A 33 1.954 -1.767 -5.166 1.00 41.43 C ATOM 518 C LEU A 33 1.745 -2.929 -6.132 1.00 2.43 C ATOM 519 O LEU A 33 1.114 -2.775 -7.177 1.00 14.41 O ATOM 520 CB LEU A 33 0.709 -1.579 -4.299 1.00 33.34 C ATOM 521 CG LEU A 33 -0.033 -2.856 -3.903 1.00 42.11 C ATOM 522 CD1 LEU A 33 -0.741 -2.670 -2.570 1.00 13.41 C ATOM 523 CD2 LEU A 33 -1.026 -3.253 -4.986 1.00 75.00 C ATOM 524 HA LEU A 33 2.803 -2.001 -4.524 1.00 0.00 H ATOM 525 HB2 LEU A 33 1.014 -1.073 -3.383 1.00 0.00 H ATOM 526 HB3 LEU A 33 0.013 -0.945 -4.848 1.00 0.00 H ATOM 527 HG LEU A 33 0.696 -3.659 -3.795 1.00 0.00 H ATOM 528 HD21 LEU A 33 -1.750 -2.450 -5.125 1.00 0.00 H ATOM 529 HD22 LEU A 33 -0.492 -3.428 -5.920 1.00 0.00 H ATOM 530 HD23 LEU A 33 -1.544 -4.164 -4.686 1.00 0.00 H ATOM 531 HD11 LEU A 33 -0.007 -2.433 -1.800 1.00 0.00 H ATOM 532 HD12 LEU A 33 -1.459 -1.854 -2.652 1.00 0.00 H ATOM 533 HD13 LEU A 33 -1.263 -3.590 -2.306 1.00 0.00 H ATOM 534 H LEU A 33 1.719 -0.308 -6.749 1.00 0.00 H ATOM 535 N ASN A 34 2.277 -4.094 -5.772 1.00 72.44 N ATOM 536 CA ASN A 34 2.148 -5.282 -6.607 1.00 24.53 C ATOM 537 C ASN A 34 1.325 -6.355 -5.901 1.00 43.20 C ATOM 538 O ASN A 34 1.695 -6.832 -4.827 1.00 53.43 O ATOM 539 CB ASN A 34 3.529 -5.836 -6.963 1.00 72.21 C ATOM 540 CG ASN A 34 4.085 -5.226 -8.236 1.00 10.41 C ATOM 541 OD1 ASN A 34 4.555 -5.938 -9.123 1.00 71.33 O ATOM 542 ND2 ASN A 34 4.033 -3.902 -8.329 1.00 41.23 N ATOM 543 HA ASN A 34 1.632 -4.996 -7.524 1.00 0.00 H ATOM 544 HB2 ASN A 34 4.215 -5.622 -6.143 1.00 0.00 H ATOM 545 HB3 ASN A 34 3.450 -6.915 -7.097 1.00 0.00 H ATOM 546 HD22 ASN A 34 3.626 -3.342 -7.553 1.00 0.00 H ATOM 547 HD21 ASN A 34 4.399 -3.426 -9.178 1.00 0.00 H ATOM 548 H ASN A 34 2.797 -4.159 -4.874 1.00 0.00 H ATOM 549 N THR A 35 0.205 -6.732 -6.509 1.00 63.22 N ATOM 550 CA THR A 35 -0.671 -7.748 -5.939 1.00 12.31 C ATOM 551 C THR A 35 -1.142 -8.730 -7.005 1.00 72.23 C ATOM 552 O THR A 35 -0.791 -8.603 -8.179 1.00 12.23 O ATOM 553 CB THR A 35 -1.901 -7.114 -5.263 1.00 73.54 C ATOM 554 OG1 THR A 35 -2.581 -6.257 -6.188 1.00 3.31 O ATOM 555 CG2 THR A 35 -1.492 -6.318 -4.033 1.00 33.23 C ATOM 556 HA THR A 35 -0.088 -8.282 -5.189 1.00 0.00 H ATOM 557 HB THR A 35 -2.571 -7.916 -4.951 1.00 0.00 H ATOM 558 HG1 THR A 35 -3.369 -5.854 -5.745 1.00 0.00 H ATOM 559 HG23 THR A 35 -0.975 -6.974 -3.333 1.00 0.00 H ATOM 560 HG21 THR A 35 -0.827 -5.507 -4.331 1.00 0.00 H ATOM 561 HG22 THR A 35 -2.381 -5.905 -3.557 1.00 0.00 H ATOM 562 H THR A 35 -0.053 -6.291 -7.415 1.00 0.00 H ATOM 563 N GLY A 36 -1.941 -9.709 -6.592 1.00 72.13 N ATOM 564 CA GLY A 36 -2.447 -10.697 -7.524 1.00 64.03 C ATOM 565 C GLY A 36 -1.388 -11.700 -7.938 1.00 65.24 C ATOM 566 O GLY A 36 -0.680 -12.250 -7.095 1.00 32.42 O ATOM 567 HA3 GLY A 36 -2.810 -10.184 -8.415 1.00 0.00 H ATOM 568 HA2 GLY A 36 -3.271 -11.233 -7.053 1.00 0.00 H ATOM 569 H GLY A 36 -2.206 -9.767 -5.588 1.00 0.00 H ATOM 570 N ARG A 37 -1.280 -11.940 -9.242 1.00 32.12 N ATOM 571 CA ARG A 37 -0.301 -12.886 -9.765 1.00 60.32 C ATOM 572 C ARG A 37 0.770 -12.165 -10.576 1.00 51.24 C ATOM 573 O ARG A 37 1.948 -12.524 -10.529 1.00 24.31 O ATOM 574 CB ARG A 37 -0.993 -13.939 -10.636 1.00 34.32 C ATOM 575 CG ARG A 37 -1.459 -15.160 -9.859 1.00 33.51 C ATOM 576 CD ARG A 37 -2.623 -14.823 -8.940 1.00 12.33 C ATOM 577 NE ARG A 37 -3.055 -15.979 -8.159 1.00 12.13 N ATOM 578 CZ ARG A 37 -4.200 -16.026 -7.487 1.00 55.42 C ATOM 579 NH1 ARG A 37 -5.024 -14.988 -7.501 1.00 73.20 N ATOM 580 NH2 ARG A 37 -4.522 -17.113 -6.798 1.00 23.21 N ATOM 581 HA ARG A 37 0.178 -13.380 -8.920 1.00 0.00 H ATOM 582 HB2 ARG A 37 -1.861 -13.479 -11.109 1.00 0.00 H ATOM 583 HB3 ARG A 37 -0.292 -14.266 -11.404 1.00 0.00 H ATOM 584 HG2 ARG A 37 -1.774 -15.930 -10.563 1.00 0.00 H ATOM 585 HG3 ARG A 37 -0.630 -15.536 -9.259 1.00 0.00 H ATOM 586 HD2 ARG A 37 -3.460 -14.474 -9.545 1.00 0.00 H ATOM 587 HD3 ARG A 37 -2.315 -14.031 -8.257 1.00 0.00 H ATOM 588 HE ARG A 37 -2.432 -16.811 -8.127 1.00 0.00 H ATOM 589 HH12 ARG A 37 -5.920 -15.028 -6.974 1.00 0.00 H ATOM 590 HH11 ARG A 37 -4.775 -14.134 -8.039 1.00 0.00 H ATOM 591 HH22 ARG A 37 -5.419 -17.149 -6.272 1.00 0.00 H ATOM 592 HH21 ARG A 37 -3.878 -17.929 -6.784 1.00 0.00 H ATOM 593 H ARG A 37 -1.908 -11.441 -9.904 1.00 0.00 H ATOM 594 N THR A 38 0.356 -11.145 -11.322 1.00 63.42 N ATOM 595 CA THR A 38 1.280 -10.374 -12.145 1.00 52.40 C ATOM 596 C THR A 38 0.555 -9.258 -12.887 1.00 74.21 C ATOM 597 O THR A 38 1.137 -8.212 -13.175 1.00 20.21 O ATOM 598 CB THR A 38 2.003 -11.270 -13.169 1.00 4.44 C ATOM 599 OG1 THR A 38 3.161 -10.599 -13.676 1.00 2.02 O ATOM 600 CG2 THR A 38 1.077 -11.634 -14.319 1.00 24.25 C ATOM 601 HA THR A 38 2.017 -9.939 -11.470 1.00 0.00 H ATOM 602 HB THR A 38 2.307 -12.187 -12.665 1.00 0.00 H ATOM 603 HG1 THR A 38 2.886 -9.756 -14.117 1.00 0.00 H ATOM 604 HG23 THR A 38 0.197 -12.145 -13.928 1.00 0.00 H ATOM 605 HG21 THR A 38 0.771 -10.726 -14.839 1.00 0.00 H ATOM 606 HG22 THR A 38 1.602 -12.291 -15.012 1.00 0.00 H ATOM 607 H THR A 38 -0.652 -10.891 -11.318 1.00 0.00 H ATOM 608 N GLU A 39 -0.718 -9.487 -13.194 1.00 41.24 N ATOM 609 CA GLU A 39 -1.521 -8.499 -13.905 1.00 21.32 C ATOM 610 C GLU A 39 -2.449 -7.760 -12.944 1.00 51.04 C ATOM 611 O GLU A 39 -3.567 -7.391 -13.303 1.00 52.24 O ATOM 612 CB GLU A 39 -2.344 -9.174 -15.005 1.00 72.53 C ATOM 613 CG GLU A 39 -1.499 -9.738 -16.137 1.00 33.35 C ATOM 614 CD GLU A 39 -2.190 -10.870 -16.870 1.00 64.44 C ATOM 615 OE1 GLU A 39 -2.418 -11.928 -16.250 1.00 50.00 O ATOM 616 OE2 GLU A 39 -2.502 -10.696 -18.068 1.00 11.13 O ATOM 617 HA GLU A 39 -0.843 -7.776 -14.359 1.00 0.00 H ATOM 618 HB2 GLU A 39 -2.912 -9.990 -14.559 1.00 0.00 H ATOM 619 HB3 GLU A 39 -3.032 -8.439 -15.422 1.00 0.00 H ATOM 620 HG2 GLU A 39 -1.288 -8.939 -16.847 1.00 0.00 H ATOM 621 HG3 GLU A 39 -0.562 -10.110 -15.722 1.00 0.00 H ATOM 622 H GLU A 39 -1.151 -10.392 -12.921 1.00 0.00 H ATOM 623 N ALA A 40 -1.975 -7.548 -11.720 1.00 73.41 N ATOM 624 CA ALA A 40 -2.759 -6.852 -10.708 1.00 34.32 C ATOM 625 C ALA A 40 -2.008 -5.639 -10.169 1.00 12.52 C ATOM 626 O ALA A 40 -2.551 -4.857 -9.387 1.00 40.30 O ATOM 627 CB ALA A 40 -3.118 -7.800 -9.573 1.00 42.41 C ATOM 628 HA ALA A 40 -3.678 -6.499 -11.176 1.00 0.00 H ATOM 629 HB1 ALA A 40 -3.702 -8.631 -9.967 1.00 0.00 H ATOM 630 HB2 ALA A 40 -2.204 -8.181 -9.116 1.00 0.00 H ATOM 631 HB3 ALA A 40 -3.703 -7.265 -8.826 1.00 0.00 H ATOM 632 H ALA A 40 -1.022 -7.887 -11.479 1.00 0.00 H ATOM 633 N TRP A 41 -0.757 -5.489 -10.590 1.00 13.20 N ATOM 634 CA TRP A 41 0.070 -4.372 -10.147 1.00 13.12 C ATOM 635 C TRP A 41 -0.571 -3.040 -10.521 1.00 62.20 C ATOM 636 O TRP A 41 -0.947 -2.823 -11.673 1.00 75.50 O ATOM 637 CB TRP A 41 1.467 -4.471 -10.761 1.00 73.32 C ATOM 638 CG TRP A 41 2.072 -5.836 -10.647 1.00 45.33 C ATOM 639 CD1 TRP A 41 1.821 -6.765 -9.678 1.00 52.32 C ATOM 640 CD2 TRP A 41 3.027 -6.428 -11.536 1.00 33.34 C ATOM 641 NE1 TRP A 41 2.564 -7.898 -9.909 1.00 10.31 N ATOM 642 CE2 TRP A 41 3.311 -7.717 -11.042 1.00 31.51 C ATOM 643 CE3 TRP A 41 3.669 -5.995 -12.699 1.00 24.33 C ATOM 644 CZ2 TRP A 41 4.210 -8.573 -11.674 1.00 72.51 C ATOM 645 CZ3 TRP A 41 4.560 -6.846 -13.324 1.00 21.01 C ATOM 646 CH2 TRP A 41 4.823 -8.123 -12.811 1.00 11.30 C ATOM 647 HA TRP A 41 0.154 -4.421 -9.061 1.00 0.00 H ATOM 648 HB2 TRP A 41 1.400 -4.210 -11.817 1.00 0.00 H ATOM 649 HB3 TRP A 41 2.119 -3.760 -10.253 1.00 0.00 H ATOM 650 HE1 TRP A 41 2.559 -8.754 -9.319 1.00 0.00 H ATOM 651 HD1 TRP A 41 1.133 -6.628 -8.844 1.00 0.00 H ATOM 652 HZ2 TRP A 41 4.418 -9.566 -11.276 1.00 0.00 H ATOM 653 HH2 TRP A 41 5.530 -8.771 -13.328 1.00 0.00 H ATOM 654 HZ3 TRP A 41 5.067 -6.518 -14.232 1.00 0.00 H ATOM 655 HE3 TRP A 41 3.470 -5.003 -13.106 1.00 0.00 H ATOM 656 H TRP A 41 -0.357 -6.185 -11.252 1.00 0.00 H ATOM 657 N LYS A 42 -0.692 -2.151 -9.541 1.00 13.43 N ATOM 658 CA LYS A 42 -1.286 -0.838 -9.767 1.00 1.34 C ATOM 659 C LYS A 42 -0.471 0.253 -9.082 1.00 61.03 C ATOM 660 O LYS A 42 0.289 -0.017 -8.153 1.00 33.13 O ATOM 661 CB LYS A 42 -2.727 -0.812 -9.251 1.00 5.44 C ATOM 662 CG LYS A 42 -2.844 -1.087 -7.762 1.00 25.15 C ATOM 663 CD LYS A 42 -3.410 -2.471 -7.493 1.00 31.41 C ATOM 664 CE LYS A 42 -3.918 -2.598 -6.064 1.00 21.41 C ATOM 665 NZ LYS A 42 -5.313 -2.095 -5.926 1.00 34.32 N ATOM 666 HA LYS A 42 -1.287 -0.647 -10.840 1.00 0.00 H ATOM 667 HB2 LYS A 42 -3.149 0.172 -9.454 1.00 0.00 H ATOM 668 HB3 LYS A 42 -3.299 -1.569 -9.788 1.00 0.00 H ATOM 669 HG2 LYS A 42 -1.855 -1.015 -7.310 1.00 0.00 H ATOM 670 HG3 LYS A 42 -3.502 -0.342 -7.315 1.00 0.00 H ATOM 671 HD2 LYS A 42 -4.235 -2.656 -8.180 1.00 0.00 H ATOM 672 HD3 LYS A 42 -2.628 -3.212 -7.658 1.00 0.00 H ATOM 673 HE2 LYS A 42 -3.268 -2.022 -5.406 1.00 0.00 H ATOM 674 HE3 LYS A 42 -3.891 -3.648 -5.771 1.00 0.00 H ATOM 675 HZ1 LYS A 42 -5.347 -1.092 -6.197 1.00 0.00 H ATOM 676 HZ2 LYS A 42 -5.941 -2.644 -6.547 1.00 0.00 H ATOM 677 HZ3 LYS A 42 -5.622 -2.199 -4.938 1.00 0.00 H ATOM 678 H LYS A 42 -0.355 -2.398 -8.589 1.00 0.00 H ATOM 679 N VAL A 43 -0.632 1.488 -9.549 1.00 64.30 N ATOM 680 CA VAL A 43 0.088 2.621 -8.980 1.00 5.11 C ATOM 681 C VAL A 43 -0.808 3.430 -8.049 1.00 24.51 C ATOM 682 O VAL A 43 -1.876 3.897 -8.449 1.00 43.22 O ATOM 683 CB VAL A 43 0.637 3.547 -10.081 1.00 44.42 C ATOM 684 CG1 VAL A 43 1.568 4.591 -9.486 1.00 13.44 C ATOM 685 CG2 VAL A 43 1.348 2.735 -11.154 1.00 75.43 C ATOM 686 HA VAL A 43 0.923 2.212 -8.411 1.00 0.00 H ATOM 687 HB VAL A 43 -0.201 4.066 -10.546 1.00 0.00 H ATOM 688 HG11 VAL A 43 1.021 5.191 -8.759 1.00 0.00 H ATOM 689 HG12 VAL A 43 2.403 4.093 -8.994 1.00 0.00 H ATOM 690 HG13 VAL A 43 1.945 5.235 -10.281 1.00 0.00 H ATOM 691 HG21 VAL A 43 2.177 2.188 -10.704 1.00 0.00 H ATOM 692 HG22 VAL A 43 0.646 2.031 -11.600 1.00 0.00 H ATOM 693 HG23 VAL A 43 1.729 3.407 -11.923 1.00 0.00 H ATOM 694 H VAL A 43 -1.288 1.650 -10.340 1.00 0.00 H ATOM 695 N LEU A 44 -0.368 3.593 -6.808 1.00 34.43 N ATOM 696 CA LEU A 44 -1.130 4.349 -5.818 1.00 25.40 C ATOM 697 C LEU A 44 -0.793 5.834 -5.889 1.00 34.00 C ATOM 698 O LEU A 44 0.353 6.210 -6.137 1.00 51.01 O ATOM 699 CB LEU A 44 -0.848 3.816 -4.413 1.00 72.03 C ATOM 700 CG LEU A 44 -1.638 2.575 -3.994 1.00 72.20 C ATOM 701 CD1 LEU A 44 -1.082 2.000 -2.701 1.00 31.12 C ATOM 702 CD2 LEU A 44 -3.114 2.911 -3.839 1.00 30.20 C ATOM 703 HA LEU A 44 -2.190 4.226 -6.040 1.00 0.00 H ATOM 704 HB2 LEU A 44 0.213 3.571 -4.356 1.00 0.00 H ATOM 705 HB3 LEU A 44 -1.075 4.611 -3.703 1.00 0.00 H ATOM 706 HG LEU A 44 -1.537 1.822 -4.775 1.00 0.00 H ATOM 707 HD21 LEU A 44 -3.232 3.681 -3.077 1.00 0.00 H ATOM 708 HD22 LEU A 44 -3.504 3.276 -4.789 1.00 0.00 H ATOM 709 HD23 LEU A 44 -3.660 2.016 -3.541 1.00 0.00 H ATOM 710 HD11 LEU A 44 -0.038 1.723 -2.847 1.00 0.00 H ATOM 711 HD12 LEU A 44 -1.153 2.748 -1.912 1.00 0.00 H ATOM 712 HD13 LEU A 44 -1.658 1.118 -2.420 1.00 0.00 H ATOM 713 H LEU A 44 0.542 3.172 -6.533 1.00 0.00 H ATOM 714 N SER A 45 -1.797 6.676 -5.666 1.00 43.33 N ATOM 715 CA SER A 45 -1.607 8.121 -5.706 1.00 3.11 C ATOM 716 C SER A 45 -2.130 8.773 -4.430 1.00 13.01 C ATOM 717 O SER A 45 -2.892 8.178 -3.666 1.00 75.52 O ATOM 718 CB SER A 45 -2.316 8.717 -6.924 1.00 4.14 C ATOM 719 OG SER A 45 -3.329 7.847 -7.400 1.00 44.14 O ATOM 720 HA SER A 45 -0.538 8.320 -5.784 1.00 0.00 H ATOM 721 HB2 SER A 45 -1.586 8.881 -7.716 1.00 0.00 H ATOM 722 HB3 SER A 45 -2.767 9.669 -6.644 1.00 0.00 H ATOM 723 HG SER A 45 -3.771 8.256 -8.186 1.00 0.00 H ATOM 724 H SER A 45 -2.742 6.294 -5.458 1.00 0.00 H ATOM 725 N PRO A 46 -1.712 10.025 -4.192 1.00 43.34 N ATOM 726 CA PRO A 46 -2.124 10.786 -3.009 1.00 11.03 C ATOM 727 C PRO A 46 -3.596 11.182 -3.059 1.00 60.34 C ATOM 728 O PRO A 46 -4.104 11.832 -2.146 1.00 1.03 O ATOM 729 CB PRO A 46 -1.232 12.030 -3.058 1.00 4.02 C ATOM 730 CG PRO A 46 -0.882 12.187 -4.498 1.00 14.34 C ATOM 731 CD PRO A 46 -0.803 10.794 -5.059 1.00 24.12 C ATOM 732 HA PRO A 46 -2.017 10.205 -2.093 1.00 0.00 H ATOM 733 HD3 PRO A 46 -1.139 10.771 -6.096 1.00 0.00 H ATOM 734 HD2 PRO A 46 0.214 10.406 -5.000 1.00 0.00 H ATOM 735 HG3 PRO A 46 0.078 12.693 -4.602 1.00 0.00 H ATOM 736 HG2 PRO A 46 -1.651 12.761 -5.015 1.00 0.00 H ATOM 737 HB2 PRO A 46 -1.772 12.905 -2.695 1.00 0.00 H ATOM 738 HB3 PRO A 46 -0.334 11.884 -2.457 1.00 0.00 H ATOM 739 N GLN A 47 -4.274 10.787 -4.131 1.00 61.24 N ATOM 740 CA GLN A 47 -5.687 11.103 -4.301 1.00 41.21 C ATOM 741 C GLN A 47 -6.396 10.017 -5.103 1.00 33.40 C ATOM 742 O GLN A 47 -6.471 10.087 -6.329 1.00 51.40 O ATOM 743 CB GLN A 47 -5.851 12.455 -4.995 1.00 70.23 C ATOM 744 CG GLN A 47 -7.298 12.902 -5.127 1.00 0.31 C ATOM 745 CD GLN A 47 -7.865 13.436 -3.826 1.00 41.35 C ATOM 746 OE1 GLN A 47 -7.949 14.648 -3.623 1.00 44.01 O ATOM 747 NE2 GLN A 47 -8.257 12.532 -2.935 1.00 53.33 N ATOM 748 HA GLN A 47 -6.142 11.154 -3.312 1.00 0.00 H ATOM 749 HB2 GLN A 47 -5.310 13.206 -4.419 1.00 0.00 H ATOM 750 HB3 GLN A 47 -5.420 12.384 -5.994 1.00 0.00 H ATOM 751 HG2 GLN A 47 -7.354 13.687 -5.881 1.00 0.00 H ATOM 752 HG3 GLN A 47 -7.899 12.051 -5.446 1.00 0.00 H ATOM 753 HE22 GLN A 47 -8.167 11.518 -3.149 1.00 0.00 H ATOM 754 HE21 GLN A 47 -8.653 12.838 -2.024 1.00 0.00 H ATOM 755 H GLN A 47 -3.785 10.239 -4.867 1.00 0.00 H ATOM 756 N GLY A 48 -6.913 9.011 -4.403 1.00 30.15 N ATOM 757 CA GLY A 48 -7.609 7.925 -5.068 1.00 14.31 C ATOM 758 C GLY A 48 -8.952 8.350 -5.625 1.00 51.32 C ATOM 759 O GLY A 48 -9.308 7.991 -6.746 1.00 25.41 O ATOM 760 HA3 GLY A 48 -7.767 7.120 -4.351 1.00 0.00 H ATOM 761 HA2 GLY A 48 -6.989 7.563 -5.888 1.00 0.00 H ATOM 762 H GLY A 48 -6.817 9.003 -3.367 1.00 0.00 H ATOM 763 N GLY A 49 -9.700 9.118 -4.839 1.00 25.25 N ATOM 764 CA GLY A 49 -11.006 9.578 -5.276 1.00 60.14 C ATOM 765 C GLY A 49 -11.808 8.487 -5.956 1.00 42.51 C ATOM 766 O GLY A 49 -12.524 8.743 -6.924 1.00 42.44 O ATOM 767 HA3 GLY A 49 -10.870 10.401 -5.977 1.00 0.00 H ATOM 768 HA2 GLY A 49 -11.562 9.931 -4.407 1.00 0.00 H ATOM 769 H GLY A 49 -9.346 9.392 -3.900 1.00 0.00 H ATOM 770 N GLY A 50 -11.688 7.262 -5.450 1.00 60.23 N ATOM 771 CA GLY A 50 -12.412 6.146 -6.027 1.00 72.14 C ATOM 772 C GLY A 50 -13.151 5.333 -4.983 1.00 63.03 C ATOM 773 O GLY A 50 -13.181 5.678 -3.802 1.00 21.41 O ATOM 774 HA3 GLY A 50 -11.703 5.496 -6.539 1.00 0.00 H ATOM 775 HA2 GLY A 50 -13.134 6.532 -6.746 1.00 0.00 H ATOM 776 H GLY A 50 -11.067 7.103 -4.631 1.00 0.00 H ATOM 777 N PRO A 51 -13.767 4.223 -5.419 1.00 62.33 N ATOM 778 CA PRO A 51 -14.521 3.335 -4.530 1.00 30.32 C ATOM 779 C PRO A 51 -13.618 2.573 -3.568 1.00 34.22 C ATOM 780 O PRO A 51 -12.628 1.969 -3.977 1.00 61.24 O ATOM 781 CB PRO A 51 -15.209 2.368 -5.496 1.00 5.24 C ATOM 782 CG PRO A 51 -14.344 2.363 -6.709 1.00 30.33 C ATOM 783 CD PRO A 51 -13.772 3.750 -6.813 1.00 43.33 C ATOM 784 HA PRO A 51 -15.212 3.888 -3.893 1.00 0.00 H ATOM 785 HD3 PRO A 51 -12.761 3.726 -7.221 1.00 0.00 H ATOM 786 HD2 PRO A 51 -14.399 4.385 -7.438 1.00 0.00 H ATOM 787 HG3 PRO A 51 -14.934 2.128 -7.595 1.00 0.00 H ATOM 788 HG2 PRO A 51 -13.545 1.630 -6.602 1.00 0.00 H ATOM 789 HB2 PRO A 51 -15.269 1.370 -5.063 1.00 0.00 H ATOM 790 HB3 PRO A 51 -16.212 2.718 -5.741 1.00 0.00 H ATOM 791 N TRP A 52 -13.965 2.608 -2.285 1.00 71.34 N ATOM 792 CA TRP A 52 -13.183 1.920 -1.263 1.00 62.12 C ATOM 793 C TRP A 52 -13.580 0.450 -1.174 1.00 20.32 C ATOM 794 O TRP A 52 -12.744 -0.412 -0.904 1.00 12.32 O ATOM 795 CB TRP A 52 -13.372 2.597 0.094 1.00 24.14 C ATOM 796 CG TRP A 52 -14.785 2.540 0.595 1.00 52.22 C ATOM 797 CD1 TRP A 52 -15.369 1.518 1.287 1.00 52.41 C ATOM 798 CD2 TRP A 52 -15.789 3.548 0.439 1.00 3.00 C ATOM 799 NE1 TRP A 52 -16.677 1.829 1.572 1.00 71.33 N ATOM 800 CE2 TRP A 52 -16.959 3.069 1.062 1.00 22.14 C ATOM 801 CE3 TRP A 52 -15.816 4.808 -0.165 1.00 72.11 C ATOM 802 CZ2 TRP A 52 -18.139 3.807 1.098 1.00 64.04 C ATOM 803 CZ3 TRP A 52 -16.988 5.538 -0.130 1.00 32.25 C ATOM 804 CH2 TRP A 52 -18.136 5.038 0.499 1.00 62.35 C ATOM 805 HA TRP A 52 -12.131 1.976 -1.544 1.00 0.00 H ATOM 806 HB2 TRP A 52 -12.727 2.102 0.820 1.00 0.00 H ATOM 807 HB3 TRP A 52 -13.079 3.643 0.003 1.00 0.00 H ATOM 808 HE1 TRP A 52 -17.344 1.222 2.090 1.00 0.00 H ATOM 809 HD1 TRP A 52 -14.871 0.591 1.572 1.00 0.00 H ATOM 810 HZ2 TRP A 52 -19.033 3.419 1.586 1.00 0.00 H ATOM 811 HH2 TRP A 52 -19.044 5.641 0.512 1.00 0.00 H ATOM 812 HZ3 TRP A 52 -17.021 6.521 -0.600 1.00 0.00 H ATOM 813 HE3 TRP A 52 -14.928 5.207 -0.655 1.00 0.00 H ATOM 814 H TRP A 52 -14.814 3.138 -2.003 1.00 0.00 H ATOM 815 N ASP A 53 -14.860 0.172 -1.400 1.00 72.11 N ATOM 816 CA ASP A 53 -15.365 -1.194 -1.345 1.00 63.42 C ATOM 817 C ASP A 53 -14.681 -2.070 -2.389 1.00 13.32 C ATOM 818 O ASP A 53 -14.588 -3.287 -2.228 1.00 54.23 O ATOM 819 CB ASP A 53 -16.879 -1.209 -1.563 1.00 65.53 C ATOM 820 CG ASP A 53 -17.252 -1.320 -3.029 1.00 4.32 C ATOM 821 OD1 ASP A 53 -17.196 -2.444 -3.571 1.00 11.15 O ATOM 822 OD2 ASP A 53 -17.600 -0.285 -3.634 1.00 75.41 O ATOM 823 HA ASP A 53 -15.143 -1.597 -0.357 1.00 0.00 H ATOM 824 HB2 ASP A 53 -17.301 -2.060 -1.029 1.00 0.00 H ATOM 825 HB3 ASP A 53 -17.299 -0.286 -1.164 1.00 0.00 H ATOM 826 H ASP A 53 -15.517 0.948 -1.621 1.00 0.00 H ATOM 827 N SER A 54 -14.205 -1.443 -3.459 1.00 54.41 N ATOM 828 CA SER A 54 -13.532 -2.166 -4.533 1.00 53.34 C ATOM 829 C SER A 54 -12.042 -2.319 -4.236 1.00 63.30 C ATOM 830 O SER A 54 -11.481 -3.407 -4.361 1.00 63.52 O ATOM 831 CB SER A 54 -13.726 -1.439 -5.865 1.00 44.24 C ATOM 832 OG SER A 54 -14.915 -0.670 -5.858 1.00 24.23 O ATOM 833 HA SER A 54 -13.975 -3.160 -4.601 1.00 0.00 H ATOM 834 HB2 SER A 54 -13.782 -2.175 -6.667 1.00 0.00 H ATOM 835 HB3 SER A 54 -12.876 -0.779 -6.038 1.00 0.00 H ATOM 836 HG SER A 54 -15.015 -0.212 -6.730 1.00 0.00 H ATOM 837 H SER A 54 -14.315 -0.411 -3.533 1.00 0.00 H ATOM 838 N VAL A 55 -11.409 -1.219 -3.841 1.00 53.10 N ATOM 839 CA VAL A 55 -9.985 -1.229 -3.526 1.00 23.14 C ATOM 840 C VAL A 55 -9.719 -0.577 -2.173 1.00 4.04 C ATOM 841 O VAL A 55 -9.892 -1.203 -1.126 1.00 62.33 O ATOM 842 CB VAL A 55 -9.166 -0.497 -4.604 1.00 63.03 C ATOM 843 CG1 VAL A 55 -8.792 -1.451 -5.728 1.00 51.45 C ATOM 844 CG2 VAL A 55 -9.940 0.697 -5.143 1.00 14.12 C ATOM 845 HA VAL A 55 -9.675 -2.274 -3.492 1.00 0.00 H ATOM 846 HB VAL A 55 -8.246 -0.129 -4.149 1.00 0.00 H ATOM 847 HG11 VAL A 55 -8.196 -2.270 -5.325 1.00 0.00 H ATOM 848 HG12 VAL A 55 -9.699 -1.850 -6.182 1.00 0.00 H ATOM 849 HG13 VAL A 55 -8.213 -0.915 -6.480 1.00 0.00 H ATOM 850 HG21 VAL A 55 -10.877 0.353 -5.582 1.00 0.00 H ATOM 851 HG22 VAL A 55 -10.152 1.389 -4.328 1.00 0.00 H ATOM 852 HG23 VAL A 55 -9.344 1.201 -5.904 1.00 0.00 H ATOM 853 H VAL A 55 -11.942 -0.330 -3.755 1.00 0.00 H ATOM 854 N ALA A 56 -9.297 0.681 -2.201 1.00 74.32 N ATOM 855 CA ALA A 56 -9.008 1.419 -0.978 1.00 10.44 C ATOM 856 C ALA A 56 -8.896 2.915 -1.250 1.00 75.22 C ATOM 857 O ALA A 56 -8.932 3.350 -2.402 1.00 52.54 O ATOM 858 CB ALA A 56 -7.729 0.900 -0.338 1.00 51.03 C ATOM 859 HA ALA A 56 -9.837 1.264 -0.287 1.00 0.00 H ATOM 860 HB1 ALA A 56 -7.847 -0.156 -0.097 1.00 0.00 H ATOM 861 HB2 ALA A 56 -6.899 1.025 -1.034 1.00 0.00 H ATOM 862 HB3 ALA A 56 -7.527 1.461 0.574 1.00 0.00 H ATOM 863 H ALA A 56 -9.169 1.152 -3.119 1.00 0.00 H ATOM 864 N ARG A 57 -8.762 3.698 -0.184 1.00 70.25 N ATOM 865 CA ARG A 57 -8.647 5.147 -0.311 1.00 44.41 C ATOM 866 C ARG A 57 -7.317 5.637 0.253 1.00 74.04 C ATOM 867 O ARG A 57 -6.668 4.943 1.037 1.00 64.31 O ATOM 868 CB ARG A 57 -9.804 5.837 0.413 1.00 4.43 C ATOM 869 CG ARG A 57 -11.174 5.311 0.011 1.00 63.25 C ATOM 870 CD ARG A 57 -11.415 5.469 -1.483 1.00 32.12 C ATOM 871 NE ARG A 57 -11.260 6.855 -1.917 1.00 23.43 N ATOM 872 CZ ARG A 57 -12.128 7.817 -1.626 1.00 72.52 C ATOM 873 NH1 ARG A 57 -13.207 7.547 -0.904 1.00 70.34 N ATOM 874 NH2 ARG A 57 -11.919 9.055 -2.059 1.00 11.14 N ATOM 875 HA ARG A 57 -8.689 5.398 -1.371 1.00 0.00 H ATOM 876 HB2 ARG A 57 -9.678 5.687 1.485 1.00 0.00 H ATOM 877 HB3 ARG A 57 -9.764 6.903 0.189 1.00 0.00 H ATOM 878 HG2 ARG A 57 -11.238 4.254 0.271 1.00 0.00 H ATOM 879 HG3 ARG A 57 -11.940 5.865 0.554 1.00 0.00 H ATOM 880 HD2 ARG A 57 -12.428 5.139 -1.714 1.00 0.00 H ATOM 881 HD3 ARG A 57 -10.700 4.848 -2.023 1.00 0.00 H ATOM 882 HE ARG A 57 -10.424 7.102 -2.485 1.00 0.00 H ATOM 883 HH12 ARG A 57 -13.884 8.303 -0.678 1.00 0.00 H ATOM 884 HH11 ARG A 57 -13.376 6.579 -0.563 1.00 0.00 H ATOM 885 HH22 ARG A 57 -12.599 9.808 -1.831 1.00 0.00 H ATOM 886 HH21 ARG A 57 -11.075 9.272 -2.627 1.00 0.00 H ATOM 887 H ARG A 57 -8.739 3.268 0.763 1.00 0.00 H ATOM 888 N VAL A 58 -6.915 6.837 -0.152 1.00 73.25 N ATOM 889 CA VAL A 58 -5.662 7.422 0.312 1.00 4.32 C ATOM 890 C VAL A 58 -5.918 8.569 1.283 1.00 62.14 C ATOM 891 O VAL A 58 -6.688 9.484 0.991 1.00 4.14 O ATOM 892 CB VAL A 58 -4.814 7.938 -0.865 1.00 73.34 C ATOM 893 CG1 VAL A 58 -3.674 8.810 -0.360 1.00 40.12 C ATOM 894 CG2 VAL A 58 -4.281 6.775 -1.688 1.00 24.11 C ATOM 895 HA VAL A 58 -5.114 6.632 0.825 1.00 0.00 H ATOM 896 HB VAL A 58 -5.449 8.547 -1.508 1.00 0.00 H ATOM 897 HG11 VAL A 58 -4.083 9.662 0.182 1.00 0.00 H ATOM 898 HG12 VAL A 58 -3.038 8.226 0.305 1.00 0.00 H ATOM 899 HG13 VAL A 58 -3.087 9.165 -1.207 1.00 0.00 H ATOM 900 HG21 VAL A 58 -3.661 6.139 -1.056 1.00 0.00 H ATOM 901 HG22 VAL A 58 -5.117 6.196 -2.080 1.00 0.00 H ATOM 902 HG23 VAL A 58 -3.684 7.160 -2.515 1.00 0.00 H ATOM 903 H VAL A 58 -7.509 7.373 -0.817 1.00 0.00 H ATOM 904 N LEU A 59 -5.266 8.516 2.438 1.00 52.32 N ATOM 905 CA LEU A 59 -5.421 9.552 3.454 1.00 2.42 C ATOM 906 C LEU A 59 -4.809 10.867 2.987 1.00 64.52 C ATOM 907 O LEU A 59 -3.926 10.901 2.129 1.00 15.12 O ATOM 908 CB LEU A 59 -4.768 9.109 4.765 1.00 32.53 C ATOM 909 CG LEU A 59 -5.532 8.061 5.575 1.00 23.21 C ATOM 910 CD1 LEU A 59 -4.716 7.618 6.779 1.00 52.52 C ATOM 911 CD2 LEU A 59 -6.882 8.608 6.016 1.00 40.02 C ATOM 912 HA LEU A 59 -6.487 9.708 3.620 1.00 0.00 H ATOM 913 HB2 LEU A 59 -3.788 8.697 4.527 1.00 0.00 H ATOM 914 HB3 LEU A 59 -4.647 9.992 5.392 1.00 0.00 H ATOM 915 HG LEU A 59 -5.704 7.193 4.939 1.00 0.00 H ATOM 916 HD21 LEU A 59 -6.730 9.492 6.635 1.00 0.00 H ATOM 917 HD22 LEU A 59 -7.469 8.874 5.137 1.00 0.00 H ATOM 918 HD23 LEU A 59 -7.410 7.848 6.591 1.00 0.00 H ATOM 919 HD11 LEU A 59 -3.775 7.186 6.439 1.00 0.00 H ATOM 920 HD12 LEU A 59 -4.513 8.479 7.416 1.00 0.00 H ATOM 921 HD13 LEU A 59 -5.277 6.872 7.342 1.00 0.00 H ATOM 922 H LEU A 59 -4.628 7.716 2.624 1.00 0.00 H ATOM 923 N PRO A 60 -5.287 11.980 3.563 1.00 30.34 N ATOM 924 CA PRO A 60 -4.800 13.321 3.223 1.00 13.50 C ATOM 925 C PRO A 60 -3.376 13.561 3.713 1.00 2.13 C ATOM 926 O PRO A 60 -2.664 14.415 3.186 1.00 40.13 O ATOM 927 CB PRO A 60 -5.779 14.248 3.948 1.00 15.41 C ATOM 928 CG PRO A 60 -6.300 13.436 5.084 1.00 0.31 C ATOM 929 CD PRO A 60 -6.340 12.015 4.592 1.00 75.10 C ATOM 930 HA PRO A 60 -4.760 13.480 2.145 1.00 0.00 H ATOM 931 HD3 PRO A 60 -6.120 11.316 5.399 1.00 0.00 H ATOM 932 HD2 PRO A 60 -7.313 11.778 4.163 1.00 0.00 H ATOM 933 HG3 PRO A 60 -7.300 13.770 5.362 1.00 0.00 H ATOM 934 HG2 PRO A 60 -5.638 13.521 5.946 1.00 0.00 H ATOM 935 HB2 PRO A 60 -5.267 15.138 4.314 1.00 0.00 H ATOM 936 HB3 PRO A 60 -6.591 14.545 3.284 1.00 0.00 H ATOM 937 N ASN A 61 -2.966 12.802 4.725 1.00 2.02 N ATOM 938 CA ASN A 61 -1.627 12.933 5.286 1.00 24.42 C ATOM 939 C ASN A 61 -0.613 12.144 4.464 1.00 65.22 C ATOM 940 O ASN A 61 0.577 12.127 4.775 1.00 50.20 O ATOM 941 CB ASN A 61 -1.609 12.450 6.737 1.00 60.41 C ATOM 942 CG ASN A 61 -2.195 11.060 6.890 1.00 1.04 C ATOM 943 OD1 ASN A 61 -2.441 10.364 5.905 1.00 31.41 O ATOM 944 ND2 ASN A 61 -2.425 10.648 8.133 1.00 22.12 N ATOM 945 HA ASN A 61 -1.351 13.987 5.257 1.00 0.00 H ATOM 946 HB2 ASN A 61 -0.578 12.436 7.089 1.00 0.00 H ATOM 947 HB3 ASN A 61 -2.190 13.144 7.345 1.00 0.00 H ATOM 948 HD22 ASN A 61 -2.202 11.269 8.936 1.00 0.00 H ATOM 949 HD21 ASN A 61 -2.828 9.704 8.302 1.00 0.00 H ATOM 950 H ASN A 61 -3.617 12.097 5.126 1.00 0.00 H ATOM 951 N GLY A 62 -1.094 11.491 3.410 1.00 43.41 N ATOM 952 CA GLY A 62 -0.217 10.709 2.557 1.00 4.32 C ATOM 953 C GLY A 62 -0.152 9.253 2.974 1.00 52.34 C ATOM 954 O GLY A 62 0.851 8.578 2.740 1.00 12.33 O ATOM 955 HA3 GLY A 62 0.786 11.132 2.605 1.00 0.00 H ATOM 956 HA2 GLY A 62 -0.585 10.764 1.532 1.00 0.00 H ATOM 957 H GLY A 62 -2.110 11.541 3.194 1.00 0.00 H ATOM 958 N SER A 63 -1.222 8.768 3.594 1.00 43.43 N ATOM 959 CA SER A 63 -1.280 7.383 4.049 1.00 21.43 C ATOM 960 C SER A 63 -2.263 6.575 3.207 1.00 14.51 C ATOM 961 O SER A 63 -2.898 7.104 2.295 1.00 61.24 O ATOM 962 CB SER A 63 -1.686 7.326 5.523 1.00 14.24 C ATOM 963 OG SER A 63 -0.562 7.490 6.370 1.00 54.31 O ATOM 964 HA SER A 63 -0.288 6.947 3.935 1.00 0.00 H ATOM 965 HB2 SER A 63 -2.148 6.360 5.728 1.00 0.00 H ATOM 966 HB3 SER A 63 -2.403 8.121 5.726 1.00 0.00 H ATOM 967 HG SER A 63 -0.854 7.449 7.315 1.00 0.00 H ATOM 968 H SER A 63 -2.038 9.391 3.759 1.00 0.00 H ATOM 969 N LEU A 64 -2.382 5.290 3.520 1.00 14.53 N ATOM 970 CA LEU A 64 -3.287 4.406 2.794 1.00 53.12 C ATOM 971 C LEU A 64 -4.200 3.651 3.755 1.00 61.15 C ATOM 972 O LEU A 64 -3.734 3.027 4.709 1.00 73.31 O ATOM 973 CB LEU A 64 -2.491 3.415 1.944 1.00 60.33 C ATOM 974 CG LEU A 64 -3.263 2.199 1.431 1.00 43.34 C ATOM 975 CD1 LEU A 64 -4.543 2.634 0.735 1.00 41.43 C ATOM 976 CD2 LEU A 64 -2.396 1.375 0.490 1.00 70.24 C ATOM 977 HA LEU A 64 -3.907 5.020 2.140 1.00 0.00 H ATOM 978 HB2 LEU A 64 -2.104 3.953 1.079 1.00 0.00 H ATOM 979 HB3 LEU A 64 -1.659 3.052 2.547 1.00 0.00 H ATOM 980 HG LEU A 64 -3.531 1.577 2.285 1.00 0.00 H ATOM 981 HD21 LEU A 64 -2.098 1.990 -0.359 1.00 0.00 H ATOM 982 HD22 LEU A 64 -1.508 1.033 1.022 1.00 0.00 H ATOM 983 HD23 LEU A 64 -2.963 0.514 0.136 1.00 0.00 H ATOM 984 HD11 LEU A 64 -5.170 3.181 1.439 1.00 0.00 H ATOM 985 HD12 LEU A 64 -4.295 3.278 -0.109 1.00 0.00 H ATOM 986 HD13 LEU A 64 -5.078 1.754 0.377 1.00 0.00 H ATOM 987 H LEU A 64 -1.816 4.904 4.302 1.00 0.00 H ATOM 988 N PHE A 65 -5.502 3.711 3.496 1.00 22.22 N ATOM 989 CA PHE A 65 -6.481 3.031 4.338 1.00 52.14 C ATOM 990 C PHE A 65 -7.375 2.119 3.503 1.00 35.24 C ATOM 991 O PHE A 65 -7.933 2.538 2.488 1.00 25.42 O ATOM 992 CB PHE A 65 -7.334 4.053 5.089 1.00 21.31 C ATOM 993 CG PHE A 65 -8.557 3.459 5.730 1.00 42.12 C ATOM 994 CD1 PHE A 65 -8.475 2.271 6.438 1.00 31.42 C ATOM 995 CD2 PHE A 65 -9.786 4.088 5.622 1.00 64.30 C ATOM 996 CE1 PHE A 65 -9.598 1.723 7.027 1.00 44.20 C ATOM 997 CE2 PHE A 65 -10.913 3.543 6.208 1.00 11.24 C ATOM 998 CZ PHE A 65 -10.818 2.359 6.913 1.00 31.14 C ATOM 999 HA PHE A 65 -5.941 2.418 5.060 1.00 0.00 H ATOM 1000 HB2 PHE A 65 -6.722 4.507 5.868 1.00 0.00 H ATOM 1001 HB3 PHE A 65 -7.652 4.821 4.384 1.00 0.00 H ATOM 1002 HD2 PHE A 65 -9.866 5.024 5.069 1.00 0.00 H ATOM 1003 HE2 PHE A 65 -11.875 4.047 6.114 1.00 0.00 H ATOM 1004 HZ PHE A 65 -11.704 1.928 7.378 1.00 0.00 H ATOM 1005 HE1 PHE A 65 -9.521 0.788 7.582 1.00 0.00 H ATOM 1006 HD1 PHE A 65 -7.515 1.764 6.531 1.00 0.00 H ATOM 1007 H PHE A 65 -5.831 4.256 2.673 1.00 0.00 H ATOM 1008 N LEU A 66 -7.506 0.871 3.938 1.00 63.44 N ATOM 1009 CA LEU A 66 -8.333 -0.103 3.231 1.00 32.52 C ATOM 1010 C LEU A 66 -9.491 -0.569 4.107 1.00 10.42 C ATOM 1011 O LEU A 66 -9.312 -0.956 5.261 1.00 14.42 O ATOM 1012 CB LEU A 66 -7.487 -1.302 2.800 1.00 34.15 C ATOM 1013 CG LEU A 66 -6.248 -0.984 1.963 1.00 31.02 C ATOM 1014 CD1 LEU A 66 -4.987 -1.132 2.799 1.00 33.42 C ATOM 1015 CD2 LEU A 66 -6.187 -1.883 0.738 1.00 2.22 C ATOM 1016 HA LEU A 66 -8.744 0.379 2.344 1.00 0.00 H ATOM 1017 HB2 LEU A 66 -7.157 -1.818 3.701 1.00 0.00 H ATOM 1018 HB3 LEU A 66 -8.123 -1.966 2.215 1.00 0.00 H ATOM 1019 HG LEU A 66 -6.316 0.050 1.626 1.00 0.00 H ATOM 1020 HD21 LEU A 66 -6.143 -2.925 1.055 1.00 0.00 H ATOM 1021 HD22 LEU A 66 -7.077 -1.725 0.128 1.00 0.00 H ATOM 1022 HD23 LEU A 66 -5.298 -1.641 0.155 1.00 0.00 H ATOM 1023 HD11 LEU A 66 -5.030 -0.445 3.644 1.00 0.00 H ATOM 1024 HD12 LEU A 66 -4.914 -2.156 3.166 1.00 0.00 H ATOM 1025 HD13 LEU A 66 -4.116 -0.901 2.185 1.00 0.00 H ATOM 1026 H LEU A 66 -7.007 0.580 4.803 1.00 0.00 H ATOM 1027 N PRO A 67 -10.708 -0.537 3.545 1.00 43.31 N ATOM 1028 CA PRO A 67 -11.920 -0.957 4.255 1.00 72.42 C ATOM 1029 C PRO A 67 -11.961 -2.463 4.491 1.00 20.31 C ATOM 1030 O PRO A 67 -12.462 -2.927 5.515 1.00 33.52 O ATOM 1031 CB PRO A 67 -13.049 -0.531 3.314 1.00 13.42 C ATOM 1032 CG PRO A 67 -12.425 -0.507 1.961 1.00 35.14 C ATOM 1033 CD PRO A 67 -10.996 -0.087 2.172 1.00 45.41 C ATOM 1034 HA PRO A 67 -11.985 -0.513 5.248 1.00 0.00 H ATOM 1035 HD3 PRO A 67 -10.336 -0.574 1.455 1.00 0.00 H ATOM 1036 HD2 PRO A 67 -10.890 0.994 2.085 1.00 0.00 H ATOM 1037 HG3 PRO A 67 -12.939 0.208 1.319 1.00 0.00 H ATOM 1038 HG2 PRO A 67 -12.466 -1.497 1.507 1.00 0.00 H ATOM 1039 HB2 PRO A 67 -13.869 -1.249 3.347 1.00 0.00 H ATOM 1040 HB3 PRO A 67 -13.422 0.457 3.583 1.00 0.00 H ATOM 1041 N ALA A 68 -11.432 -3.222 3.537 1.00 71.41 N ATOM 1042 CA ALA A 68 -11.407 -4.675 3.641 1.00 14.34 C ATOM 1043 C ALA A 68 -10.503 -5.286 2.577 1.00 50.01 C ATOM 1044 O ALA A 68 -10.894 -5.418 1.416 1.00 22.11 O ATOM 1045 CB ALA A 68 -12.817 -5.236 3.527 1.00 15.31 C ATOM 1046 HA ALA A 68 -11.001 -4.938 4.618 1.00 0.00 H ATOM 1047 HB1 ALA A 68 -13.434 -4.831 4.330 1.00 0.00 H ATOM 1048 HB2 ALA A 68 -13.242 -4.954 2.563 1.00 0.00 H ATOM 1049 HB3 ALA A 68 -12.782 -6.323 3.607 1.00 0.00 H ATOM 1050 H ALA A 68 -11.025 -2.767 2.695 1.00 0.00 H ATOM 1051 N VAL A 69 -9.292 -5.659 2.977 1.00 11.31 N ATOM 1052 CA VAL A 69 -8.333 -6.257 2.057 1.00 31.10 C ATOM 1053 C VAL A 69 -8.722 -7.690 1.712 1.00 50.33 C ATOM 1054 O VAL A 69 -8.722 -8.569 2.574 1.00 54.51 O ATOM 1055 CB VAL A 69 -6.909 -6.251 2.648 1.00 64.43 C ATOM 1056 CG1 VAL A 69 -6.366 -4.833 2.717 1.00 71.55 C ATOM 1057 CG2 VAL A 69 -6.901 -6.901 4.023 1.00 63.52 C ATOM 1058 HA VAL A 69 -8.345 -5.652 1.150 1.00 0.00 H ATOM 1059 HB VAL A 69 -6.260 -6.832 1.993 1.00 0.00 H ATOM 1060 HG11 VAL A 69 -6.335 -4.408 1.714 1.00 0.00 H ATOM 1061 HG12 VAL A 69 -7.015 -4.227 3.350 1.00 0.00 H ATOM 1062 HG13 VAL A 69 -5.360 -4.850 3.137 1.00 0.00 H ATOM 1063 HG21 VAL A 69 -7.564 -6.348 4.689 1.00 0.00 H ATOM 1064 HG22 VAL A 69 -7.246 -7.932 3.938 1.00 0.00 H ATOM 1065 HG23 VAL A 69 -5.888 -6.887 4.424 1.00 0.00 H ATOM 1066 H VAL A 69 -9.022 -5.521 3.972 1.00 0.00 H ATOM 1067 N GLY A 70 -9.053 -7.920 0.445 1.00 32.23 N ATOM 1068 CA GLY A 70 -9.440 -9.248 0.007 1.00 55.11 C ATOM 1069 C GLY A 70 -8.245 -10.116 -0.333 1.00 24.11 C ATOM 1070 O GLY A 70 -7.125 -9.621 -0.457 1.00 52.15 O ATOM 1071 HA3 GLY A 70 -10.069 -9.155 -0.878 1.00 0.00 H ATOM 1072 HA2 GLY A 70 -10.006 -9.729 0.805 1.00 0.00 H ATOM 1073 H GLY A 70 -9.034 -7.138 -0.241 1.00 0.00 H ATOM 1074 N ILE A 71 -8.484 -11.415 -0.482 1.00 52.25 N ATOM 1075 CA ILE A 71 -7.417 -12.354 -0.811 1.00 4.24 C ATOM 1076 C ILE A 71 -6.679 -11.926 -2.074 1.00 24.12 C ATOM 1077 O ILE A 71 -5.484 -12.182 -2.222 1.00 12.21 O ATOM 1078 CB ILE A 71 -7.966 -13.781 -1.007 1.00 73.05 C ATOM 1079 CG1 ILE A 71 -6.934 -14.813 -0.545 1.00 64.31 C ATOM 1080 CG2 ILE A 71 -8.337 -14.010 -2.464 1.00 61.44 C ATOM 1081 CD1 ILE A 71 -6.862 -16.033 -1.437 1.00 65.10 C ATOM 1082 HA ILE A 71 -6.723 -12.353 0.029 1.00 0.00 H ATOM 1083 HB ILE A 71 -8.865 -13.897 -0.402 1.00 0.00 H ATOM 1084 HG12 ILE A 71 -5.953 -14.338 -0.529 1.00 0.00 H ATOM 1085 HG13 ILE A 71 -7.196 -15.136 0.462 1.00 0.00 H ATOM 1086 HD11 ILE A 71 -7.834 -16.527 -1.455 1.00 0.00 H ATOM 1087 HD12 ILE A 71 -6.590 -15.727 -2.447 1.00 0.00 H ATOM 1088 HD13 ILE A 71 -6.111 -16.721 -1.050 1.00 0.00 H ATOM 1089 HG21 ILE A 71 -9.101 -13.291 -2.760 1.00 0.00 H ATOM 1090 HG22 ILE A 71 -7.452 -13.880 -3.088 1.00 0.00 H ATOM 1091 HG23 ILE A 71 -8.723 -15.022 -2.585 1.00 0.00 H ATOM 1092 H ILE A 71 -9.454 -11.770 -0.361 1.00 0.00 H ATOM 1093 N GLN A 72 -7.397 -11.273 -2.982 1.00 2.32 N ATOM 1094 CA GLN A 72 -6.808 -10.810 -4.232 1.00 62.31 C ATOM 1095 C GLN A 72 -5.957 -9.565 -4.005 1.00 11.21 C ATOM 1096 O GLN A 72 -5.073 -9.252 -4.802 1.00 2.23 O ATOM 1097 CB GLN A 72 -7.904 -10.512 -5.257 1.00 45.22 C ATOM 1098 CG GLN A 72 -8.854 -9.407 -4.828 1.00 64.41 C ATOM 1099 CD GLN A 72 -10.126 -9.377 -5.652 1.00 32.15 C ATOM 1100 OE1 GLN A 72 -10.475 -8.354 -6.242 1.00 2.35 O ATOM 1101 NE2 GLN A 72 -10.829 -10.503 -5.697 1.00 50.42 N ATOM 1102 HA GLN A 72 -6.165 -11.602 -4.616 1.00 0.00 H ATOM 1103 HB2 GLN A 72 -7.430 -10.215 -6.192 1.00 0.00 H ATOM 1104 HB3 GLN A 72 -8.483 -11.422 -5.417 1.00 0.00 H ATOM 1105 HG2 GLN A 72 -9.119 -9.561 -3.782 1.00 0.00 H ATOM 1106 HG3 GLN A 72 -8.346 -8.449 -4.935 1.00 0.00 H ATOM 1107 HE22 GLN A 72 -10.497 -11.344 -5.183 1.00 0.00 H ATOM 1108 HE21 GLN A 72 -11.711 -10.544 -6.246 1.00 0.00 H ATOM 1109 H GLN A 72 -8.403 -11.088 -2.796 1.00 0.00 H ATOM 1110 N ASP A 73 -6.230 -8.861 -2.912 1.00 74.44 N ATOM 1111 CA ASP A 73 -5.488 -7.650 -2.580 1.00 1.03 C ATOM 1112 C ASP A 73 -4.099 -7.991 -2.048 1.00 63.15 C ATOM 1113 O ASP A 73 -3.282 -7.104 -1.805 1.00 64.02 O ATOM 1114 CB ASP A 73 -6.254 -6.825 -1.544 1.00 4.11 C ATOM 1115 CG ASP A 73 -6.971 -5.641 -2.163 1.00 34.31 C ATOM 1116 OD1 ASP A 73 -8.019 -5.851 -2.807 1.00 72.23 O ATOM 1117 OD2 ASP A 73 -6.482 -4.501 -2.002 1.00 51.24 O ATOM 1118 HA ASP A 73 -5.375 -7.063 -3.491 1.00 0.00 H ATOM 1119 HB2 ASP A 73 -6.990 -7.467 -1.060 1.00 0.00 H ATOM 1120 HB3 ASP A 73 -5.549 -6.457 -0.799 1.00 0.00 H ATOM 1121 H ASP A 73 -6.990 -9.181 -2.278 1.00 0.00 H ATOM 1122 N GLU A 74 -3.842 -9.284 -1.870 1.00 40.13 N ATOM 1123 CA GLU A 74 -2.552 -9.741 -1.365 1.00 44.43 C ATOM 1124 C GLU A 74 -1.419 -9.294 -2.284 1.00 42.33 C ATOM 1125 O GLU A 74 -1.552 -9.313 -3.506 1.00 43.32 O ATOM 1126 CB GLU A 74 -2.545 -11.266 -1.233 1.00 74.30 C ATOM 1127 CG GLU A 74 -2.683 -11.994 -2.560 1.00 21.11 C ATOM 1128 CD GLU A 74 -1.349 -12.454 -3.115 1.00 2.05 C ATOM 1129 OE1 GLU A 74 -0.626 -13.179 -2.399 1.00 23.43 O ATOM 1130 OE2 GLU A 74 -1.030 -12.090 -4.266 1.00 72.11 O ATOM 1131 HA GLU A 74 -2.396 -9.296 -0.382 1.00 0.00 H ATOM 1132 HB2 GLU A 74 -1.605 -11.568 -0.771 1.00 0.00 H ATOM 1133 HB3 GLU A 74 -3.375 -11.560 -0.591 1.00 0.00 H ATOM 1134 HG2 GLU A 74 -3.321 -12.866 -2.415 1.00 0.00 H ATOM 1135 HG3 GLU A 74 -3.148 -11.321 -3.281 1.00 0.00 H ATOM 1136 H GLU A 74 -4.577 -9.984 -2.096 1.00 0.00 H ATOM 1137 N GLY A 75 -0.303 -8.892 -1.683 1.00 31.53 N ATOM 1138 CA GLY A 75 0.837 -8.444 -2.462 1.00 12.11 C ATOM 1139 C GLY A 75 1.852 -7.691 -1.623 1.00 71.55 C ATOM 1140 O GLY A 75 2.029 -7.983 -0.441 1.00 31.31 O ATOM 1141 HA3 GLY A 75 0.482 -7.787 -3.256 1.00 0.00 H ATOM 1142 HA2 GLY A 75 1.324 -9.314 -2.903 1.00 0.00 H ATOM 1143 H GLY A 75 -0.246 -8.899 -0.645 1.00 0.00 H ATOM 1144 N ILE A 76 2.519 -6.719 -2.237 1.00 12.04 N ATOM 1145 CA ILE A 76 3.522 -5.923 -1.539 1.00 21.31 C ATOM 1146 C ILE A 76 3.289 -4.433 -1.760 1.00 70.05 C ATOM 1147 O ILE A 76 3.026 -3.992 -2.880 1.00 13.23 O ATOM 1148 CB ILE A 76 4.947 -6.283 -1.998 1.00 21.00 C ATOM 1149 CG1 ILE A 76 5.092 -7.799 -2.144 1.00 62.33 C ATOM 1150 CG2 ILE A 76 5.973 -5.739 -1.016 1.00 41.21 C ATOM 1151 CD1 ILE A 76 4.753 -8.308 -3.528 1.00 42.11 C ATOM 1152 HA ILE A 76 3.424 -6.151 -0.478 1.00 0.00 H ATOM 1153 HB ILE A 76 5.126 -5.825 -2.971 1.00 0.00 H ATOM 1154 HG12 ILE A 76 6.124 -8.070 -1.920 1.00 0.00 H ATOM 1155 HG13 ILE A 76 4.427 -8.280 -1.427 1.00 0.00 H ATOM 1156 HD11 ILE A 76 3.719 -8.054 -3.764 1.00 0.00 H ATOM 1157 HD12 ILE A 76 5.418 -7.845 -4.257 1.00 0.00 H ATOM 1158 HD13 ILE A 76 4.879 -9.390 -3.557 1.00 0.00 H ATOM 1159 HG21 ILE A 76 5.881 -4.654 -0.960 1.00 0.00 H ATOM 1160 HG22 ILE A 76 5.796 -6.172 -0.031 1.00 0.00 H ATOM 1161 HG23 ILE A 76 6.975 -6.003 -1.356 1.00 0.00 H ATOM 1162 H ILE A 76 2.321 -6.521 -3.239 1.00 0.00 H ATOM 1163 N PHE A 77 3.390 -3.657 -0.685 1.00 4.00 N ATOM 1164 CA PHE A 77 3.191 -2.215 -0.760 1.00 10.24 C ATOM 1165 C PHE A 77 4.530 -1.483 -0.799 1.00 71.25 C ATOM 1166 O PHE A 77 5.377 -1.667 0.075 1.00 23.44 O ATOM 1167 CB PHE A 77 2.368 -1.729 0.434 1.00 40.23 C ATOM 1168 CG PHE A 77 0.961 -2.254 0.445 1.00 43.43 C ATOM 1169 CD1 PHE A 77 0.716 -3.611 0.589 1.00 22.13 C ATOM 1170 CD2 PHE A 77 -0.116 -1.392 0.312 1.00 45.31 C ATOM 1171 CE1 PHE A 77 -0.578 -4.098 0.600 1.00 21.41 C ATOM 1172 CE2 PHE A 77 -1.412 -1.875 0.323 1.00 23.21 C ATOM 1173 CZ PHE A 77 -1.643 -3.230 0.466 1.00 50.21 C ATOM 1174 HA PHE A 77 2.649 -1.996 -1.680 1.00 0.00 H ATOM 1175 HB2 PHE A 77 2.864 -2.051 1.349 1.00 0.00 H ATOM 1176 HB3 PHE A 77 2.330 -0.640 0.407 1.00 0.00 H ATOM 1177 HD2 PHE A 77 0.060 -0.322 0.198 1.00 0.00 H ATOM 1178 HE2 PHE A 77 -2.251 -1.187 0.219 1.00 0.00 H ATOM 1179 HZ PHE A 77 -2.664 -3.612 0.473 1.00 0.00 H ATOM 1180 HE1 PHE A 77 -0.757 -5.167 0.714 1.00 0.00 H ATOM 1181 HD1 PHE A 77 1.553 -4.302 0.695 1.00 0.00 H ATOM 1182 H PHE A 77 3.617 -4.090 0.233 1.00 0.00 H ATOM 1183 N ARG A 78 4.715 -0.654 -1.823 1.00 5.12 N ATOM 1184 CA ARG A 78 5.950 0.104 -1.979 1.00 1.24 C ATOM 1185 C ARG A 78 5.655 1.582 -2.212 1.00 44.52 C ATOM 1186 O ARG A 78 4.883 1.938 -3.103 1.00 53.24 O ATOM 1187 CB ARG A 78 6.772 -0.454 -3.142 1.00 60.52 C ATOM 1188 CG ARG A 78 8.221 -0.743 -2.782 1.00 25.12 C ATOM 1189 CD ARG A 78 9.175 0.157 -3.550 1.00 73.32 C ATOM 1190 NE ARG A 78 9.911 -0.574 -4.577 1.00 52.13 N ATOM 1191 CZ ARG A 78 10.463 0.004 -5.639 1.00 34.03 C ATOM 1192 NH1 ARG A 78 10.363 1.314 -5.811 1.00 23.34 N ATOM 1193 NH2 ARG A 78 11.117 -0.730 -6.529 1.00 41.41 N ATOM 1194 HA ARG A 78 6.525 0.008 -1.058 1.00 0.00 H ATOM 1195 HB2 ARG A 78 6.309 -1.382 -3.478 1.00 0.00 H ATOM 1196 HB3 ARG A 78 6.757 0.273 -3.954 1.00 0.00 H ATOM 1197 HG2 ARG A 78 8.361 -0.578 -1.714 1.00 0.00 H ATOM 1198 HG3 ARG A 78 8.445 -1.783 -3.020 1.00 0.00 H ATOM 1199 HD2 ARG A 78 9.887 0.594 -2.850 1.00 0.00 H ATOM 1200 HD3 ARG A 78 8.602 0.952 -4.027 1.00 0.00 H ATOM 1201 HE ARG A 78 10.009 -1.604 -4.472 1.00 0.00 H ATOM 1202 HH12 ARG A 78 10.796 1.764 -6.643 1.00 0.00 H ATOM 1203 HH11 ARG A 78 9.852 1.892 -5.114 1.00 0.00 H ATOM 1204 HH22 ARG A 78 11.549 -0.277 -7.360 1.00 0.00 H ATOM 1205 HH21 ARG A 78 11.198 -1.758 -6.396 1.00 0.00 H ATOM 1206 H ARG A 78 3.960 -0.544 -2.530 1.00 0.00 H ATOM 1207 N CYS A 79 6.273 2.438 -1.407 1.00 12.31 N ATOM 1208 CA CYS A 79 6.078 3.879 -1.524 1.00 44.33 C ATOM 1209 C CYS A 79 7.404 4.590 -1.779 1.00 5.20 C ATOM 1210 O CYS A 79 8.458 4.134 -1.334 1.00 61.10 O ATOM 1211 CB CYS A 79 5.425 4.431 -0.255 1.00 11.42 C ATOM 1212 SG CYS A 79 6.382 5.749 0.558 1.00 12.24 S ATOM 1213 HA CYS A 79 5.420 4.063 -2.373 1.00 0.00 H ATOM 1214 HB2 CYS A 79 5.302 3.611 0.452 1.00 0.00 H ATOM 1215 HB3 CYS A 79 4.446 4.831 -0.519 1.00 0.00 H ATOM 1216 H CYS A 79 6.913 2.072 -0.674 1.00 0.00 H ATOM 1217 N GLN A 80 7.342 5.705 -2.496 1.00 61.15 N ATOM 1218 CA GLN A 80 8.538 6.478 -2.809 1.00 73.41 C ATOM 1219 C GLN A 80 8.246 7.975 -2.770 1.00 4.55 C ATOM 1220 O GLN A 80 7.324 8.455 -3.431 1.00 11.35 O ATOM 1221 CB GLN A 80 9.076 6.089 -4.188 1.00 20.21 C ATOM 1222 CG GLN A 80 10.321 6.860 -4.595 1.00 3.01 C ATOM 1223 CD GLN A 80 11.567 6.378 -3.879 1.00 2.10 C ATOM 1224 OE1 GLN A 80 11.629 6.377 -2.650 1.00 71.21 O ATOM 1225 NE2 GLN A 80 12.568 5.963 -4.647 1.00 62.32 N ATOM 1226 HA GLN A 80 9.292 6.253 -2.054 1.00 0.00 H ATOM 1227 HB2 GLN A 80 9.317 5.026 -4.177 1.00 0.00 H ATOM 1228 HB3 GLN A 80 8.297 6.276 -4.927 1.00 0.00 H ATOM 1229 HG2 GLN A 80 10.468 6.744 -5.669 1.00 0.00 H ATOM 1230 HG3 GLN A 80 10.170 7.914 -4.362 1.00 0.00 H ATOM 1231 HE22 GLN A 80 12.471 5.982 -5.682 1.00 0.00 H ATOM 1232 HE21 GLN A 80 13.448 5.619 -4.213 1.00 0.00 H ATOM 1233 H GLN A 80 6.419 6.035 -2.843 1.00 0.00 H ATOM 1234 N ALA A 81 9.035 8.707 -1.991 1.00 60.11 N ATOM 1235 CA ALA A 81 8.861 10.149 -1.867 1.00 11.00 C ATOM 1236 C ALA A 81 10.195 10.876 -1.998 1.00 74.43 C ATOM 1237 O ALA A 81 11.258 10.270 -1.865 1.00 73.12 O ATOM 1238 CB ALA A 81 8.202 10.489 -0.538 1.00 5.34 C ATOM 1239 HA ALA A 81 8.213 10.483 -2.678 1.00 0.00 H ATOM 1240 HB1 ALA A 81 7.226 10.006 -0.484 1.00 0.00 H ATOM 1241 HB2 ALA A 81 8.830 10.134 0.279 1.00 0.00 H ATOM 1242 HB3 ALA A 81 8.079 11.569 -0.461 1.00 0.00 H ATOM 1243 H ALA A 81 9.795 8.240 -1.457 1.00 0.00 H ATOM 1244 N MET A 82 10.132 12.177 -2.262 1.00 31.24 N ATOM 1245 CA MET A 82 11.336 12.986 -2.411 1.00 23.43 C ATOM 1246 C MET A 82 11.253 14.248 -1.558 1.00 24.44 C ATOM 1247 O MET A 82 10.295 15.013 -1.657 1.00 63.32 O ATOM 1248 CB MET A 82 11.543 13.362 -3.879 1.00 53.02 C ATOM 1249 CG MET A 82 12.814 14.159 -4.128 1.00 33.12 C ATOM 1250 SD MET A 82 14.289 13.123 -4.154 1.00 40.12 S ATOM 1251 CE MET A 82 13.897 12.009 -5.501 1.00 50.34 C ATOM 1252 HA MET A 82 12.186 12.395 -2.070 1.00 0.00 H ATOM 1253 HB2 MET A 82 11.590 12.445 -4.467 1.00 0.00 H ATOM 1254 HB3 MET A 82 10.692 13.959 -4.206 1.00 0.00 H ATOM 1255 HG2 MET A 82 12.922 14.901 -3.336 1.00 0.00 H ATOM 1256 HG3 MET A 82 12.726 14.666 -5.089 1.00 0.00 H ATOM 1257 HE1 MET A 82 12.984 11.462 -5.265 1.00 0.00 H ATOM 1258 HE2 MET A 82 13.751 12.584 -6.416 1.00 0.00 H ATOM 1259 HE3 MET A 82 14.718 11.305 -5.639 1.00 0.00 H ATOM 1260 H MET A 82 9.201 12.629 -2.365 1.00 0.00 H ATOM 1261 N ASN A 83 12.261 14.457 -0.717 1.00 65.45 N ATOM 1262 CA ASN A 83 12.300 15.625 0.154 1.00 74.31 C ATOM 1263 C ASN A 83 12.929 16.817 -0.563 1.00 23.04 C ATOM 1264 O ASN A 83 13.475 16.678 -1.656 1.00 62.23 O ATOM 1265 CB ASN A 83 13.085 15.310 1.429 1.00 51.42 C ATOM 1266 CG ASN A 83 12.633 14.018 2.082 1.00 51.42 C ATOM 1267 OD1 ASN A 83 13.454 13.180 2.459 1.00 43.13 O ATOM 1268 ND2 ASN A 83 11.323 13.851 2.219 1.00 20.02 N ATOM 1269 HA ASN A 83 11.275 15.883 0.421 1.00 0.00 H ATOM 1270 HB2 ASN A 83 14.142 15.224 1.177 1.00 0.00 H ATOM 1271 HB3 ASN A 83 12.946 16.127 2.137 1.00 0.00 H ATOM 1272 HD22 ASN A 83 10.667 14.586 1.886 1.00 0.00 H ATOM 1273 HD21 ASN A 83 10.952 12.985 2.660 1.00 0.00 H ATOM 1274 H ASN A 83 13.041 13.770 -0.680 1.00 0.00 H ATOM 1275 N ARG A 84 12.846 17.986 0.064 1.00 62.43 N ATOM 1276 CA ARG A 84 13.405 19.203 -0.514 1.00 70.31 C ATOM 1277 C ARG A 84 14.931 19.186 -0.445 1.00 25.22 C ATOM 1278 O ARG A 84 15.601 19.942 -1.146 1.00 51.35 O ATOM 1279 CB ARG A 84 12.865 20.433 0.215 1.00 33.42 C ATOM 1280 CG ARG A 84 13.451 21.743 -0.285 1.00 62.44 C ATOM 1281 CD ARG A 84 12.831 22.939 0.423 1.00 21.22 C ATOM 1282 NE ARG A 84 11.583 23.360 -0.206 1.00 24.14 N ATOM 1283 CZ ARG A 84 11.021 24.548 -0.003 1.00 1.54 C ATOM 1284 NH1 ARG A 84 11.596 25.425 0.808 1.00 64.30 N ATOM 1285 NH2 ARG A 84 9.883 24.857 -0.611 1.00 71.25 N ATOM 1286 HA ARG A 84 13.106 19.249 -1.561 1.00 0.00 H ATOM 1287 HB2 ARG A 84 11.784 20.466 0.082 1.00 0.00 H ATOM 1288 HB3 ARG A 84 13.096 20.334 1.276 1.00 0.00 H ATOM 1289 HG2 ARG A 84 14.526 21.742 -0.104 1.00 0.00 H ATOM 1290 HG3 ARG A 84 13.264 21.829 -1.355 1.00 0.00 H ATOM 1291 HD2 ARG A 84 13.537 23.769 0.396 1.00 0.00 H ATOM 1292 HD3 ARG A 84 12.629 22.669 1.460 1.00 0.00 H ATOM 1293 HE ARG A 84 11.107 22.694 -0.848 1.00 0.00 H ATOM 1294 HH12 ARG A 84 11.156 26.354 0.966 1.00 0.00 H ATOM 1295 HH11 ARG A 84 12.488 25.184 1.286 1.00 0.00 H ATOM 1296 HH22 ARG A 84 9.444 25.786 -0.452 1.00 0.00 H ATOM 1297 HH21 ARG A 84 9.430 24.170 -1.247 1.00 0.00 H ATOM 1298 H ARG A 84 12.371 18.034 0.988 1.00 0.00 H ATOM 1299 N ASN A 85 15.470 18.319 0.406 1.00 61.10 N ATOM 1300 CA ASN A 85 16.914 18.203 0.567 1.00 74.40 C ATOM 1301 C ASN A 85 17.546 17.535 -0.650 1.00 73.20 C ATOM 1302 O ASN A 85 18.742 17.680 -0.900 1.00 32.13 O ATOM 1303 CB ASN A 85 17.246 17.407 1.831 1.00 30.24 C ATOM 1304 CG ASN A 85 16.475 17.897 3.041 1.00 35.14 C ATOM 1305 OD1 ASN A 85 15.415 17.368 3.372 1.00 11.03 O ATOM 1306 ND2 ASN A 85 17.008 18.914 3.710 1.00 60.34 N ATOM 1307 HA ASN A 85 17.325 19.208 0.661 1.00 0.00 H ATOM 1308 HB2 ASN A 85 17.000 16.359 1.660 1.00 0.00 H ATOM 1309 HB3 ASN A 85 18.313 17.500 2.034 1.00 0.00 H ATOM 1310 HD22 ASN A 85 17.907 19.331 3.394 1.00 0.00 H ATOM 1311 HD21 ASN A 85 16.526 19.293 4.550 1.00 0.00 H ATOM 1312 H ASN A 85 14.846 17.708 0.971 1.00 0.00 H ATOM 1313 N GLY A 86 16.734 16.803 -1.406 1.00 24.05 N ATOM 1314 CA GLY A 86 17.230 16.124 -2.587 1.00 3.14 C ATOM 1315 C GLY A 86 17.200 14.614 -2.444 1.00 10.32 C ATOM 1316 O GLY A 86 17.204 13.888 -3.438 1.00 12.30 O ATOM 1317 HA3 GLY A 86 18.258 16.438 -2.765 1.00 0.00 H ATOM 1318 HA2 GLY A 86 16.612 16.407 -3.439 1.00 0.00 H ATOM 1319 H GLY A 86 15.730 16.716 -1.147 1.00 0.00 H ATOM 1320 N LYS A 87 17.172 14.140 -1.202 1.00 55.43 N ATOM 1321 CA LYS A 87 17.143 12.708 -0.931 1.00 44.02 C ATOM 1322 C LYS A 87 15.717 12.172 -0.990 1.00 21.35 C ATOM 1323 O LYS A 87 14.769 12.866 -0.621 1.00 4.53 O ATOM 1324 CB LYS A 87 17.753 12.415 0.442 1.00 61.33 C ATOM 1325 CG LYS A 87 17.107 13.196 1.574 1.00 43.03 C ATOM 1326 CD LYS A 87 18.147 13.781 2.513 1.00 11.41 C ATOM 1327 CE LYS A 87 19.052 14.772 1.797 1.00 72.02 C ATOM 1328 NZ LYS A 87 20.436 14.245 1.635 1.00 70.10 N ATOM 1329 HA LYS A 87 17.733 12.207 -1.698 1.00 0.00 H ATOM 1330 HB2 LYS A 87 17.641 11.351 0.649 1.00 0.00 H ATOM 1331 HB3 LYS A 87 18.813 12.668 0.410 1.00 0.00 H ATOM 1332 HG2 LYS A 87 16.515 14.008 1.151 1.00 0.00 H ATOM 1333 HG3 LYS A 87 16.456 12.528 2.138 1.00 0.00 H ATOM 1334 HD2 LYS A 87 17.639 14.292 3.330 1.00 0.00 H ATOM 1335 HD3 LYS A 87 18.756 12.972 2.915 1.00 0.00 H ATOM 1336 HE2 LYS A 87 19.092 15.695 2.376 1.00 0.00 H ATOM 1337 HE3 LYS A 87 18.636 14.980 0.811 1.00 0.00 H ATOM 1338 HZ1 LYS A 87 20.843 14.050 2.572 1.00 0.00 H ATOM 1339 HZ2 LYS A 87 20.408 13.367 1.078 1.00 0.00 H ATOM 1340 HZ3 LYS A 87 21.019 14.951 1.143 1.00 0.00 H ATOM 1341 H LYS A 87 17.171 14.807 -0.404 1.00 0.00 H ATOM 1342 N GLU A 88 15.571 10.936 -1.454 1.00 40.34 N ATOM 1343 CA GLU A 88 14.259 10.307 -1.560 1.00 15.02 C ATOM 1344 C GLU A 88 14.073 9.250 -0.476 1.00 0.20 C ATOM 1345 O GLU A 88 15.021 8.562 -0.094 1.00 21.13 O ATOM 1346 CB GLU A 88 14.081 9.676 -2.941 1.00 54.34 C ATOM 1347 CG GLU A 88 14.660 8.275 -3.049 1.00 74.41 C ATOM 1348 CD GLU A 88 14.844 7.829 -4.486 1.00 40.44 C ATOM 1349 OE1 GLU A 88 14.082 8.300 -5.356 1.00 31.51 O ATOM 1350 OE2 GLU A 88 15.750 7.007 -4.741 1.00 71.13 O ATOM 1351 HA GLU A 88 13.502 11.079 -1.423 1.00 0.00 H ATOM 1352 HB2 GLU A 88 13.015 9.627 -3.163 1.00 0.00 H ATOM 1353 HB3 GLU A 88 14.575 10.311 -3.677 1.00 0.00 H ATOM 1354 HG2 GLU A 88 15.630 8.258 -2.551 1.00 0.00 H ATOM 1355 HG3 GLU A 88 13.985 7.579 -2.551 1.00 0.00 H ATOM 1356 H GLU A 88 16.414 10.403 -1.749 1.00 0.00 H ATOM 1357 N THR A 89 12.845 9.124 0.016 1.00 72.35 N ATOM 1358 CA THR A 89 12.534 8.151 1.057 1.00 70.52 C ATOM 1359 C THR A 89 11.840 6.925 0.473 1.00 73.43 C ATOM 1360 O THR A 89 10.845 7.043 -0.243 1.00 13.33 O ATOM 1361 CB THR A 89 11.636 8.764 2.147 1.00 23.25 C ATOM 1362 OG1 THR A 89 11.761 10.191 2.141 1.00 14.12 O ATOM 1363 CG2 THR A 89 12.006 8.223 3.521 1.00 75.05 C ATOM 1364 HA THR A 89 13.482 7.851 1.504 1.00 0.00 H ATOM 1365 HB THR A 89 10.603 8.490 1.932 1.00 0.00 H ATOM 1366 HG1 THR A 89 11.180 10.575 2.845 1.00 0.00 H ATOM 1367 HG23 THR A 89 11.909 7.137 3.521 1.00 0.00 H ATOM 1368 HG21 THR A 89 13.035 8.497 3.753 1.00 0.00 H ATOM 1369 HG22 THR A 89 11.338 8.648 4.270 1.00 0.00 H ATOM 1370 H THR A 89 12.087 9.734 -0.350 1.00 0.00 H ATOM 1371 N LYS A 90 12.371 5.747 0.783 1.00 20.34 N ATOM 1372 CA LYS A 90 11.803 4.498 0.293 1.00 62.34 C ATOM 1373 C LYS A 90 11.051 3.770 1.401 1.00 10.33 C ATOM 1374 O LYS A 90 11.444 3.819 2.567 1.00 53.23 O ATOM 1375 CB LYS A 90 12.906 3.598 -0.268 1.00 10.02 C ATOM 1376 CG LYS A 90 13.840 3.047 0.795 1.00 32.33 C ATOM 1377 CD LYS A 90 13.928 1.532 0.730 1.00 32.21 C ATOM 1378 CE LYS A 90 12.587 0.882 1.035 1.00 33.44 C ATOM 1379 NZ LYS A 90 12.237 0.983 2.479 1.00 32.02 N ATOM 1380 HA LYS A 90 11.098 4.736 -0.503 1.00 0.00 H ATOM 1381 HB2 LYS A 90 12.438 2.760 -0.784 1.00 0.00 H ATOM 1382 HB3 LYS A 90 13.496 4.177 -0.979 1.00 0.00 H ATOM 1383 HG2 LYS A 90 14.835 3.466 0.644 1.00 0.00 H ATOM 1384 HG3 LYS A 90 13.469 3.338 1.778 1.00 0.00 H ATOM 1385 HD2 LYS A 90 14.245 1.238 -0.271 1.00 0.00 H ATOM 1386 HD3 LYS A 90 14.662 1.188 1.458 1.00 0.00 H ATOM 1387 HE2 LYS A 90 12.634 -0.171 0.756 1.00 0.00 H ATOM 1388 HE3 LYS A 90 11.813 1.378 0.449 1.00 0.00 H ATOM 1389 HZ1 LYS A 90 12.967 0.506 3.046 1.00 0.00 H ATOM 1390 HZ2 LYS A 90 12.184 1.985 2.752 1.00 0.00 H ATOM 1391 HZ3 LYS A 90 11.316 0.528 2.644 1.00 0.00 H ATOM 1392 H LYS A 90 13.214 5.716 1.391 1.00 0.00 H ATOM 1393 N SER A 91 9.970 3.092 1.030 1.00 4.40 N ATOM 1394 CA SER A 91 9.162 2.354 1.994 1.00 35.03 C ATOM 1395 C SER A 91 8.616 1.069 1.377 1.00 72.34 C ATOM 1396 O SER A 91 7.906 1.103 0.374 1.00 73.11 O ATOM 1397 CB SER A 91 8.006 3.223 2.495 1.00 23.20 C ATOM 1398 OG SER A 91 8.478 4.469 2.981 1.00 14.31 O ATOM 1399 HA SER A 91 9.800 2.089 2.837 1.00 0.00 H ATOM 1400 HB2 SER A 91 7.489 2.699 3.299 1.00 0.00 H ATOM 1401 HB3 SER A 91 7.312 3.401 1.674 1.00 0.00 H ATOM 1402 HG SER A 91 7.712 5.010 3.298 1.00 0.00 H ATOM 1403 H SER A 91 9.693 3.088 0.027 1.00 0.00 H ATOM 1404 N ASN A 92 8.956 -0.061 1.986 1.00 3.41 N ATOM 1405 CA ASN A 92 8.501 -1.359 1.497 1.00 71.42 C ATOM 1406 C ASN A 92 7.820 -2.151 2.608 1.00 64.33 C ATOM 1407 O ASN A 92 8.435 -2.463 3.629 1.00 61.44 O ATOM 1408 CB ASN A 92 9.679 -2.156 0.935 1.00 0.50 C ATOM 1409 CG ASN A 92 9.377 -3.639 0.830 1.00 10.54 C ATOM 1410 OD1 ASN A 92 10.059 -4.466 1.435 1.00 11.11 O ATOM 1411 ND2 ASN A 92 8.351 -3.980 0.062 1.00 53.33 N ATOM 1412 HA ASN A 92 7.775 -1.186 0.702 1.00 0.00 H ATOM 1413 HB2 ASN A 92 9.917 -1.776 -0.058 1.00 0.00 H ATOM 1414 HB3 ASN A 92 10.539 -2.019 1.591 1.00 0.00 H ATOM 1415 HD22 ASN A 92 7.803 -3.246 -0.430 1.00 0.00 H ATOM 1416 HD21 ASN A 92 8.094 -4.982 -0.048 1.00 0.00 H ATOM 1417 H ASN A 92 9.561 -0.020 2.831 1.00 0.00 H ATOM 1418 N TYR A 93 6.548 -2.476 2.402 1.00 21.31 N ATOM 1419 CA TYR A 93 5.783 -3.230 3.387 1.00 24.02 C ATOM 1420 C TYR A 93 5.039 -4.386 2.728 1.00 5.42 C ATOM 1421 O TYR A 93 4.182 -4.178 1.869 1.00 63.35 O ATOM 1422 CB TYR A 93 4.792 -2.313 4.105 1.00 2.22 C ATOM 1423 CG TYR A 93 5.452 -1.287 4.997 1.00 75.05 C ATOM 1424 CD1 TYR A 93 6.239 -0.274 4.461 1.00 0.13 C ATOM 1425 CD2 TYR A 93 5.290 -1.329 6.377 1.00 41.21 C ATOM 1426 CE1 TYR A 93 6.845 0.665 5.272 1.00 34.41 C ATOM 1427 CE2 TYR A 93 5.892 -0.393 7.195 1.00 73.43 C ATOM 1428 CZ TYR A 93 6.669 0.602 6.638 1.00 22.23 C ATOM 1429 OH TYR A 93 7.270 1.537 7.450 1.00 1.03 O ATOM 1430 HA TYR A 93 6.481 -3.640 4.117 1.00 0.00 H ATOM 1431 HB3 TYR A 93 4.133 -2.929 4.717 1.00 0.00 H ATOM 1432 HB2 TYR A 93 4.202 -1.788 3.354 1.00 0.00 H ATOM 1433 HD2 TYR A 93 4.678 -2.114 6.821 1.00 0.00 H ATOM 1434 HE2 TYR A 93 5.754 -0.440 8.275 1.00 0.00 H ATOM 1435 HE1 TYR A 93 7.459 1.452 4.835 1.00 0.00 H ATOM 1436 HD1 TYR A 93 6.380 -0.220 3.382 1.00 0.00 H ATOM 1437 HH TYR A 93 7.786 2.173 6.893 1.00 0.00 H ATOM 1438 H TYR A 93 6.087 -2.185 1.516 1.00 0.00 H ATOM 1439 N ARG A 94 5.371 -5.606 3.138 1.00 42.22 N ATOM 1440 CA ARG A 94 4.734 -6.797 2.587 1.00 12.54 C ATOM 1441 C ARG A 94 3.461 -7.137 3.356 1.00 44.33 C ATOM 1442 O ARG A 94 3.447 -7.141 4.587 1.00 14.10 O ATOM 1443 CB ARG A 94 5.700 -7.983 2.630 1.00 24.10 C ATOM 1444 CG ARG A 94 6.320 -8.215 3.998 1.00 11.32 C ATOM 1445 CD ARG A 94 7.838 -8.270 3.920 1.00 30.20 C ATOM 1446 NE ARG A 94 8.420 -8.979 5.057 1.00 43.21 N ATOM 1447 CZ ARG A 94 8.462 -10.303 5.152 1.00 10.21 C ATOM 1448 NH1 ARG A 94 7.962 -11.058 4.184 1.00 11.02 N ATOM 1449 NH2 ARG A 94 9.009 -10.875 6.218 1.00 30.55 N ATOM 1450 HA ARG A 94 4.468 -6.590 1.550 1.00 0.00 H ATOM 1451 HB2 ARG A 94 5.155 -8.882 2.342 1.00 0.00 H ATOM 1452 HB3 ARG A 94 6.502 -7.800 1.915 1.00 0.00 H ATOM 1453 HG2 ARG A 94 6.028 -7.401 4.662 1.00 0.00 H ATOM 1454 HG3 ARG A 94 5.951 -9.159 4.399 1.00 0.00 H ATOM 1455 HD2 ARG A 94 8.227 -7.252 3.904 1.00 0.00 H ATOM 1456 HD3 ARG A 94 8.125 -8.782 3.002 1.00 0.00 H ATOM 1457 HE ARG A 94 8.823 -8.417 5.834 1.00 0.00 H ATOM 1458 HH12 ARG A 94 7.997 -12.094 4.262 1.00 0.00 H ATOM 1459 HH11 ARG A 94 7.535 -10.614 3.346 1.00 0.00 H ATOM 1460 HH22 ARG A 94 9.042 -11.912 6.292 1.00 0.00 H ATOM 1461 HH21 ARG A 94 9.405 -10.286 6.979 1.00 0.00 H ATOM 1462 H ARG A 94 6.103 -5.714 3.869 1.00 0.00 H ATOM 1463 N VAL A 95 2.390 -7.421 2.620 1.00 42.21 N ATOM 1464 CA VAL A 95 1.112 -7.762 3.232 1.00 42.33 C ATOM 1465 C VAL A 95 0.655 -9.154 2.810 1.00 71.22 C ATOM 1466 O VAL A 95 0.780 -9.533 1.644 1.00 31.22 O ATOM 1467 CB VAL A 95 0.020 -6.740 2.859 1.00 45.32 C ATOM 1468 CG1 VAL A 95 -1.335 -7.193 3.380 1.00 45.23 C ATOM 1469 CG2 VAL A 95 0.375 -5.362 3.397 1.00 42.23 C ATOM 1470 HA VAL A 95 1.263 -7.744 4.311 1.00 0.00 H ATOM 1471 HB VAL A 95 -0.039 -6.676 1.772 1.00 0.00 H ATOM 1472 HG11 VAL A 95 -1.588 -8.158 2.941 1.00 0.00 H ATOM 1473 HG12 VAL A 95 -1.293 -7.286 4.465 1.00 0.00 H ATOM 1474 HG13 VAL A 95 -2.092 -6.458 3.106 1.00 0.00 H ATOM 1475 HG21 VAL A 95 0.462 -5.408 4.483 1.00 0.00 H ATOM 1476 HG22 VAL A 95 1.324 -5.040 2.969 1.00 0.00 H ATOM 1477 HG23 VAL A 95 -0.407 -4.654 3.124 1.00 0.00 H ATOM 1478 H VAL A 95 2.466 -7.399 1.583 1.00 0.00 H ATOM 1479 N ARG A 96 0.125 -9.913 3.764 1.00 31.42 N ATOM 1480 CA ARG A 96 -0.351 -11.263 3.491 1.00 74.00 C ATOM 1481 C ARG A 96 -1.757 -11.468 4.046 1.00 60.40 C ATOM 1482 O ARG A 96 -2.018 -11.200 5.219 1.00 0.05 O ATOM 1483 CB ARG A 96 0.603 -12.294 4.098 1.00 55.51 C ATOM 1484 CG ARG A 96 1.392 -13.079 3.061 1.00 33.31 C ATOM 1485 CD ARG A 96 2.390 -12.192 2.334 1.00 43.34 C ATOM 1486 NE ARG A 96 3.707 -12.816 2.236 1.00 51.32 N ATOM 1487 CZ ARG A 96 4.546 -12.927 3.260 1.00 15.15 C ATOM 1488 NH1 ARG A 96 4.207 -12.456 4.453 1.00 1.14 N ATOM 1489 NH2 ARG A 96 5.727 -13.509 3.093 1.00 30.31 N ATOM 1490 HA ARG A 96 -0.383 -11.398 2.410 1.00 0.00 H ATOM 1491 HB2 ARG A 96 1.308 -11.772 4.745 1.00 0.00 H ATOM 1492 HB3 ARG A 96 0.019 -12.997 4.691 1.00 0.00 H ATOM 1493 HG2 ARG A 96 1.931 -13.884 3.560 1.00 0.00 H ATOM 1494 HG3 ARG A 96 0.699 -13.503 2.334 1.00 0.00 H ATOM 1495 HD2 ARG A 96 2.485 -11.251 2.876 1.00 0.00 H ATOM 1496 HD3 ARG A 96 2.018 -11.994 1.329 1.00 0.00 H ATOM 1497 HE ARG A 96 4.004 -13.194 1.314 1.00 0.00 H ATOM 1498 HH12 ARG A 96 4.865 -12.544 5.253 1.00 0.00 H ATOM 1499 HH11 ARG A 96 3.283 -11.999 4.588 1.00 0.00 H ATOM 1500 HH22 ARG A 96 6.383 -13.595 3.896 1.00 0.00 H ATOM 1501 HH21 ARG A 96 5.997 -13.879 2.159 1.00 0.00 H ATOM 1502 H ARG A 96 0.048 -9.534 4.729 1.00 0.00 H ATOM 1503 N VAL A 97 -2.661 -11.943 3.196 1.00 75.52 N ATOM 1504 CA VAL A 97 -4.040 -12.182 3.600 1.00 3.23 C ATOM 1505 C VAL A 97 -4.205 -13.578 4.190 1.00 52.22 C ATOM 1506 O VAL A 97 -3.235 -14.326 4.323 1.00 52.33 O ATOM 1507 CB VAL A 97 -5.010 -12.021 2.413 1.00 33.15 C ATOM 1508 CG1 VAL A 97 -4.909 -10.620 1.829 1.00 22.13 C ATOM 1509 CG2 VAL A 97 -4.731 -13.072 1.351 1.00 14.54 C ATOM 1510 HA VAL A 97 -4.280 -11.438 4.359 1.00 0.00 H ATOM 1511 HB VAL A 97 -6.028 -12.166 2.775 1.00 0.00 H ATOM 1512 HG11 VAL A 97 -5.163 -9.889 2.596 1.00 0.00 H ATOM 1513 HG12 VAL A 97 -3.891 -10.445 1.481 1.00 0.00 H ATOM 1514 HG13 VAL A 97 -5.601 -10.526 0.992 1.00 0.00 H ATOM 1515 HG21 VAL A 97 -3.708 -12.960 0.991 1.00 0.00 H ATOM 1516 HG22 VAL A 97 -4.859 -14.065 1.782 1.00 0.00 H ATOM 1517 HG23 VAL A 97 -5.426 -12.942 0.521 1.00 0.00 H ATOM 1518 H VAL A 97 -2.377 -12.149 2.217 1.00 0.00 H ATOM 1519 N TYR A 98 -5.439 -13.924 4.541 1.00 55.52 N ATOM 1520 CA TYR A 98 -5.730 -15.231 5.119 1.00 2.05 C ATOM 1521 C TYR A 98 -5.358 -16.350 4.152 1.00 62.04 C ATOM 1522 O TYR A 98 -4.310 -16.980 4.289 1.00 60.13 O ATOM 1523 CB TYR A 98 -7.211 -15.331 5.486 1.00 34.21 C ATOM 1524 CG TYR A 98 -7.645 -16.724 5.883 1.00 43.12 C ATOM 1525 CD1 TYR A 98 -6.954 -17.436 6.856 1.00 40.04 C ATOM 1526 CD2 TYR A 98 -8.745 -17.328 5.286 1.00 12.21 C ATOM 1527 CE1 TYR A 98 -7.347 -18.710 7.221 1.00 40.21 C ATOM 1528 CE2 TYR A 98 -9.144 -18.599 5.646 1.00 34.15 C ATOM 1529 CZ TYR A 98 -8.442 -19.287 6.614 1.00 21.13 C ATOM 1530 OH TYR A 98 -8.835 -20.555 6.975 1.00 62.51 O ATOM 1531 HA TYR A 98 -5.130 -15.342 6.022 1.00 0.00 H ATOM 1532 HB3 TYR A 98 -7.801 -15.018 4.625 1.00 0.00 H ATOM 1533 HB2 TYR A 98 -7.405 -14.658 6.321 1.00 0.00 H ATOM 1534 HD2 TYR A 98 -9.302 -16.788 4.520 1.00 0.00 H ATOM 1535 HE2 TYR A 98 -10.010 -19.057 5.168 1.00 0.00 H ATOM 1536 HE1 TYR A 98 -6.794 -19.256 7.985 1.00 0.00 H ATOM 1537 HD1 TYR A 98 -6.088 -16.983 7.339 1.00 0.00 H ATOM 1538 HH TYR A 98 -8.227 -20.900 7.676 1.00 0.00 H ATOM 1539 H TYR A 98 -6.216 -13.247 4.400 1.00 0.00 H ATOM 1540 N GLN A 99 -6.225 -16.590 3.172 1.00 13.24 N ATOM 1541 CA GLN A 99 -5.988 -17.632 2.181 1.00 4.14 C ATOM 1542 C GLN A 99 -4.878 -17.226 1.218 1.00 44.31 C ATOM 1543 O GLN A 99 -4.757 -16.056 0.853 1.00 22.23 O ATOM 1544 CB GLN A 99 -7.272 -17.928 1.404 1.00 13.24 C ATOM 1545 CG GLN A 99 -7.150 -19.109 0.455 1.00 63.03 C ATOM 1546 CD GLN A 99 -7.310 -20.443 1.159 1.00 32.42 C ATOM 1547 OE1 GLN A 99 -8.354 -21.089 1.058 1.00 2.45 O ATOM 1548 NE2 GLN A 99 -6.275 -20.861 1.877 1.00 12.34 N ATOM 1549 HA GLN A 99 -5.674 -18.534 2.707 1.00 0.00 H ATOM 1550 HB2 GLN A 99 -8.067 -18.141 2.119 1.00 0.00 H ATOM 1551 HB3 GLN A 99 -7.535 -17.044 0.823 1.00 0.00 H ATOM 1552 HG2 GLN A 99 -7.921 -19.023 -0.310 1.00 0.00 H ATOM 1553 HG3 GLN A 99 -6.168 -19.078 -0.016 1.00 0.00 H ATOM 1554 HE22 GLN A 99 -5.413 -20.282 1.933 1.00 0.00 H ATOM 1555 HE21 GLN A 99 -6.326 -21.768 2.383 1.00 0.00 H ATOM 1556 H GLN A 99 -7.093 -16.020 3.112 1.00 0.00 H ATOM 1557 N ILE A 100 -4.070 -18.198 0.808 1.00 32.15 N ATOM 1558 CA ILE A 100 -2.971 -17.940 -0.113 1.00 30.12 C ATOM 1559 C ILE A 100 -3.111 -18.774 -1.381 1.00 51.52 C ATOM 1560 O ILE A 100 -3.804 -19.792 -1.413 1.00 35.52 O ATOM 1561 CB ILE A 100 -1.609 -18.241 0.538 1.00 35.11 C ATOM 1562 CG1 ILE A 100 -1.791 -19.131 1.769 1.00 54.31 C ATOM 1563 CG2 ILE A 100 -0.904 -16.945 0.915 1.00 43.44 C ATOM 1564 CD1 ILE A 100 -0.487 -19.529 2.426 1.00 24.55 C ATOM 1565 HA ILE A 100 -3.015 -16.882 -0.370 1.00 0.00 H ATOM 1566 HB ILE A 100 -0.989 -18.774 -0.183 1.00 0.00 H ATOM 1567 HG12 ILE A 100 -2.394 -18.591 2.499 1.00 0.00 H ATOM 1568 HG13 ILE A 100 -2.315 -20.037 1.465 1.00 0.00 H ATOM 1569 HD11 ILE A 100 0.125 -20.081 1.712 1.00 0.00 H ATOM 1570 HD12 ILE A 100 0.045 -18.633 2.747 1.00 0.00 H ATOM 1571 HD13 ILE A 100 -0.695 -20.159 3.291 1.00 0.00 H ATOM 1572 HG21 ILE A 100 -0.745 -16.345 0.019 1.00 0.00 H ATOM 1573 HG22 ILE A 100 -1.521 -16.389 1.621 1.00 0.00 H ATOM 1574 HG23 ILE A 100 0.057 -17.176 1.374 1.00 0.00 H ATOM 1575 H ILE A 100 -4.226 -19.167 1.153 1.00 0.00 H ATOM 1576 N PRO A 101 -2.436 -18.336 -2.455 1.00 52.42 N ATOM 1577 CA PRO A 101 -2.466 -19.030 -3.746 1.00 42.13 C ATOM 1578 C PRO A 101 -1.729 -20.365 -3.706 1.00 22.34 C ATOM 1579 O PRO A 101 -1.170 -20.744 -2.678 1.00 41.52 O ATOM 1580 CB PRO A 101 -1.754 -18.056 -4.689 1.00 20.13 C ATOM 1581 CG PRO A 101 -0.866 -17.252 -3.803 1.00 23.13 C ATOM 1582 CD PRO A 101 -1.589 -17.132 -2.489 1.00 64.41 C ATOM 1583 HA PRO A 101 -3.483 -19.276 -4.052 1.00 0.00 H ATOM 1584 HD3 PRO A 101 -0.886 -17.125 -1.656 1.00 0.00 H ATOM 1585 HD2 PRO A 101 -2.196 -16.227 -2.458 1.00 0.00 H ATOM 1586 HG3 PRO A 101 -0.695 -16.265 -4.233 1.00 0.00 H ATOM 1587 HG2 PRO A 101 0.090 -17.758 -3.665 1.00 0.00 H ATOM 1588 HB2 PRO A 101 -1.168 -18.598 -5.431 1.00 0.00 H ATOM 1589 HB3 PRO A 101 -2.475 -17.414 -5.195 1.00 0.00 H ATOM 1590 N GLY A 102 -1.736 -21.073 -4.831 1.00 73.05 N ATOM 1591 CA GLY A 102 -1.066 -22.357 -4.902 1.00 50.42 C ATOM 1592 C GLY A 102 -1.033 -22.918 -6.310 1.00 21.31 C ATOM 1593 O GLY A 102 -0.051 -23.540 -6.718 1.00 34.43 O ATOM 1594 HA3 GLY A 102 -1.591 -23.062 -4.257 1.00 0.00 H ATOM 1595 HA2 GLY A 102 -0.042 -22.237 -4.549 1.00 0.00 H ATOM 1596 H GLY A 102 -2.227 -20.702 -5.669 1.00 0.00 H ATOM 1597 N LYS A 103 -2.111 -22.700 -7.057 1.00 0.31 N ATOM 1598 CA LYS A 103 -2.203 -23.188 -8.427 1.00 70.03 C ATOM 1599 C LYS A 103 -3.125 -22.301 -9.259 1.00 12.54 C ATOM 1600 O LYS A 103 -4.213 -22.707 -9.669 1.00 74.10 O ATOM 1601 CB LYS A 103 -2.715 -24.631 -8.444 1.00 72.24 C ATOM 1602 CG LYS A 103 -2.263 -25.422 -9.659 1.00 1.13 C ATOM 1603 CD LYS A 103 -3.188 -25.201 -10.844 1.00 4.30 C ATOM 1604 CE LYS A 103 -3.004 -26.276 -11.904 1.00 15.33 C ATOM 1605 NZ LYS A 103 -3.729 -27.529 -11.555 1.00 24.01 N ATOM 1606 HA LYS A 103 -1.205 -23.158 -8.865 1.00 0.00 H ATOM 1607 HB2 LYS A 103 -2.352 -25.136 -7.549 1.00 0.00 H ATOM 1608 HB3 LYS A 103 -3.805 -24.611 -8.432 1.00 0.00 H ATOM 1609 HG2 LYS A 103 -1.256 -25.107 -9.932 1.00 0.00 H ATOM 1610 HG3 LYS A 103 -2.255 -26.483 -9.408 1.00 0.00 H ATOM 1611 HD2 LYS A 103 -4.221 -25.220 -10.496 1.00 0.00 H ATOM 1612 HD3 LYS A 103 -2.972 -24.228 -11.285 1.00 0.00 H ATOM 1613 HE2 LYS A 103 -1.941 -26.498 -12.000 1.00 0.00 H ATOM 1614 HE3 LYS A 103 -3.383 -25.902 -12.855 1.00 0.00 H ATOM 1615 HZ1 LYS A 103 -3.368 -27.896 -10.651 1.00 0.00 H ATOM 1616 HZ2 LYS A 103 -4.745 -27.327 -11.468 1.00 0.00 H ATOM 1617 HZ3 LYS A 103 -3.578 -28.235 -12.303 1.00 0.00 H ATOM 1618 H LYS A 103 -2.908 -22.168 -6.654 1.00 0.00 H ATOM 1619 N PRO A 104 -2.680 -21.061 -9.516 1.00 5.11 N ATOM 1620 CA PRO A 104 -3.450 -20.093 -10.303 1.00 64.02 C ATOM 1621 C PRO A 104 -3.529 -20.477 -11.776 1.00 60.44 C ATOM 1622 O PRO A 104 -2.860 -21.407 -12.221 1.00 54.54 O ATOM 1623 CB PRO A 104 -2.662 -18.792 -10.130 1.00 34.41 C ATOM 1624 CG PRO A 104 -1.270 -19.228 -9.833 1.00 61.32 C ATOM 1625 CD PRO A 104 -1.394 -20.511 -9.059 1.00 52.33 C ATOM 1626 HA PRO A 104 -4.486 -20.028 -9.971 1.00 0.00 H ATOM 1627 HD3 PRO A 104 -0.574 -21.189 -9.293 1.00 0.00 H ATOM 1628 HD2 PRO A 104 -1.410 -20.320 -7.986 1.00 0.00 H ATOM 1629 HG3 PRO A 104 -0.756 -18.474 -9.237 1.00 0.00 H ATOM 1630 HG2 PRO A 104 -0.720 -19.395 -10.759 1.00 0.00 H ATOM 1631 HB2 PRO A 104 -2.692 -18.200 -11.044 1.00 0.00 H ATOM 1632 HB3 PRO A 104 -3.065 -18.205 -9.305 1.00 0.00 H ATOM 1633 N GLU A 105 -4.352 -19.751 -12.528 1.00 63.42 N ATOM 1634 CA GLU A 105 -4.519 -20.017 -13.952 1.00 30.03 C ATOM 1635 C GLU A 105 -4.813 -18.729 -14.714 1.00 42.14 C ATOM 1636 O GLU A 105 -4.921 -17.655 -14.124 1.00 45.41 O ATOM 1637 CB GLU A 105 -5.648 -21.024 -14.177 1.00 65.32 C ATOM 1638 CG GLU A 105 -5.193 -22.472 -14.119 1.00 40.40 C ATOM 1639 CD GLU A 105 -4.422 -22.891 -15.357 1.00 24.01 C ATOM 1640 OE1 GLU A 105 -3.325 -22.343 -15.586 1.00 13.23 O ATOM 1641 OE2 GLU A 105 -4.918 -23.768 -16.096 1.00 32.02 O ATOM 1642 HA GLU A 105 -3.587 -20.438 -14.329 1.00 0.00 H ATOM 1643 HB2 GLU A 105 -6.406 -20.870 -13.409 1.00 0.00 H ATOM 1644 HB3 GLU A 105 -6.085 -20.839 -15.158 1.00 0.00 H ATOM 1645 HG2 GLU A 105 -4.552 -22.602 -13.247 1.00 0.00 H ATOM 1646 HG3 GLU A 105 -6.071 -23.111 -14.021 1.00 0.00 H ATOM 1647 H GLU A 105 -4.889 -18.975 -12.090 1.00 0.00 H TER 1648 GLU A 105 HETATM 1649 N ASP A 1 11.344 -10.626 -6.643 1.00 0.24 N HETATM 1650 CA ASP A 1 10.192 -11.509 -6.785 1.00 0.08 C HETATM 1651 C ASP A 1 8.919 -10.826 -6.292 1.00 0.23 C HETATM 1652 O ASP A 1 7.923 -10.756 -7.010 1.00 -0.39 O HETATM 1653 N ASP A 1 8.963 -10.325 -5.063 1.00 -0.26 N HETATM 1654 CA ASP A 1 7.812 -9.648 -4.472 1.00 0.13 C HETATM 1655 C ASP A 1 8.183 -8.240 -4.019 1.00 0.20 C HETATM 1656 O ASP A 1 8.209 -7.946 -2.824 1.00 -0.39 O HETATM 1657 N ASP A 1 8.466 -7.370 -4.984 1.00 -0.26 N HETATM 1658 CA ASP A 1 8.837 -5.991 -4.686 1.00 0.14 C HETATM 1659 C ASP A 1 10.098 -5.941 -3.828 1.00 0.21 C HETATM 1660 O ASP A 1 10.734 -6.930 -3.712 1.00 -0.39 O HETATM 1661 N ASP A 1 10.366 -4.835 -3.308 1.00 -0.26 N HETATM 1662 CA ASP A 1 11.538 -4.623 -2.467 1.00 0.13 C HETATM 1663 CB ASP A 1 11.403 -3.290 -1.700 1.00 -0.01 C HETATM 1664 CG ASP A 1 11.692 -2.110 -2.653 1.00 -0.04 C HETATM 1665 CD ASP A 1 13.137 -1.614 -2.443 1.00 -0.01 C HETATM 1666 CE ASP A 1 13.375 -0.347 -3.291 1.00 -0.03 C HETATM 1667 NZ ASP A 1 12.756 0.813 -2.636 1.00 0.24 N HETATM 1668 CX1 ASP A 1 12.787 2.005 -3.577 1.00 0.03 C HETATM 1669 C1 ASP A 1 14.215 2.577 -3.636 1.00 -0.01 C HETATM 1670 H ASP A 1 14.520 2.893 -2.639 1.00 0.03 H HETATM 1671 H ASP A 1 14.898 1.809 -3.999 1.00 0.03 H HETATM 1672 H ASP A 1 14.235 3.432 -4.312 1.00 0.03 H HETATM 1673 CX2 ASP A 1 11.799 3.127 -3.208 1.00 0.08 C HETATM 1674 O1 ASP A 1 11.127 3.632 -4.450 1.00 -0.56 O HETATM 1675 O2 ASP A 1 11.588 3.555 -2.042 1.00 -0.56 O HETATM 1676 H ASP A 1 12.472 1.631 -4.551 1.00 0.10 H HETATM 1677 H ASP A 1 13.273 1.038 -1.786 1.00 0.20 H HETATM 1678 H ASP A 1 11.789 0.593 -2.399 1.00 0.20 H HETATM 1679 H ASP A 1 12.931 -0.484 -4.277 1.00 0.08 H HETATM 1680 H ASP A 1 14.447 -0.176 -3.390 1.00 0.08 H HETATM 1681 H ASP A 1 13.836 -2.392 -2.749 1.00 0.03 H HETATM 1682 H ASP A 1 13.291 -1.380 -1.390 1.00 0.03 H HETATM 1683 H ASP A 1 10.997 -1.297 -2.443 1.00 0.03 H HETATM 1684 H ASP A 1 11.570 -2.440 -3.684 1.00 0.03 H HETATM 1685 H ASP A 1 12.117 -3.273 -0.877 1.00 0.03 H HETATM 1686 H ASP A 1 10.390 -3.199 -1.309 1.00 0.03 H HETATM 1687 C ASP A 1 11.611 -5.749 -1.498 1.00 0.20 C HETATM 1688 O ASP A 1 12.638 -6.420 -1.377 1.00 -0.39 O HETATM 1689 N ASP A 1 10.511 -5.975 -0.787 1.00 -0.26 N HETATM 1690 CA ASP A 1 10.446 -7.048 0.197 1.00 0.13 C HETATM 1691 C ASP A 1 10.857 -8.382 -0.416 1.00 0.20 C HETATM 1692 O ASP A 1 10.699 -8.599 -1.618 1.00 -0.39 O HETATM 1693 N ASP A 1 11.386 -9.272 0.416 1.00 -0.26 N HETATM 1694 CA ASP A 1 11.820 -10.586 -0.045 1.00 0.14 C HETATM 1695 C ASP A 1 12.218 -11.472 1.133 1.00 0.21 C HETATM 1696 O ASP A 1 13.174 -11.174 1.848 1.00 -0.39 O HETATM 1697 N ASP A 1 11.477 -12.558 1.326 1.00 -0.27 N HETATM 1698 CA ASP A 1 11.752 -13.485 2.418 1.00 0.10 C HETATM 1699 C ASP A 1 12.139 -14.859 1.881 1.00 0.06 C HETATM 1700 O ASP A 1 12.929 -14.971 0.945 1.00 -0.57 O HETATM 1701 O3 ASP A 1 11.643 -15.893 2.403 1.00 -0.57 O HETATM 1702 CB ASP A 1 10.531 -13.607 3.332 1.00 -0.01 C HETATM 1703 CG ASP A 1 9.286 -14.110 2.621 1.00 0.00 C HETATM 1704 CD ASP A 1 9.240 -15.622 2.527 1.00 0.04 C HETATM 1705 OE1 ASP A 1 9.521 -16.289 3.546 1.00 -0.57 O HETATM 1706 OE2 ASP A 1 8.923 -16.141 1.436 1.00 -0.57 O HETATM 1707 H ASP A 1 9.294 -13.711 1.607 1.00 0.04 H HETATM 1708 H ASP A 1 8.418 -13.783 3.193 1.00 0.04 H HETATM 1709 H ASP A 1 10.309 -12.611 3.715 1.00 0.03 H HETATM 1710 H ASP A 1 10.777 -14.329 4.111 1.00 0.03 H HETATM 1711 H ASP A 1 12.589 -13.091 2.993 1.00 0.07 H HETATM 1712 H ASP A 1 10.698 -12.748 0.696 1.00 0.19 H HETATM 1713 CB ASP A 1 12.995 -10.447 -1.014 1.00 0.04 C HETATM 1714 CG ASP A 1 13.421 -11.779 -1.603 1.00 0.04 C HETATM 1715 OD1 ASP A 1 14.223 -12.483 -0.956 1.00 -0.57 O HETATM 1716 OD2 ASP A 1 12.951 -12.116 -2.710 1.00 -0.57 O HETATM 1717 H ASP A 1 13.841 -10.037 -0.462 1.00 0.05 H HETATM 1718 H ASP A 1 12.681 -9.801 -1.834 1.00 0.05 H HETATM 1719 H ASP A 1 10.984 -11.056 -0.564 1.00 0.08 H HETATM 1720 H ASP A 1 11.491 -9.031 1.401 1.00 0.19 H HETATM 1721 CB ASP A 1 9.044 -7.143 0.781 1.00 -0.02 C HETATM 1722 H ASP A 1 8.788 -6.200 1.264 1.00 0.03 H HETATM 1723 H ASP A 1 8.332 -7.348 -0.018 1.00 0.03 H HETATM 1724 H ASP A 1 9.011 -7.949 1.514 1.00 0.03 H HETATM 1725 H ASP A 1 11.148 -6.816 0.998 1.00 0.08 H HETATM 1726 H ASP A 1 9.693 -5.383 -0.933 1.00 0.19 H HETATM 1727 H ASP A 1 12.439 -4.581 -3.079 1.00 0.08 H HETATM 1728 H ASP A 1 9.739 -4.049 -3.479 1.00 0.19 H HETATM 1729 CB ASP A 1 7.689 -5.278 -3.968 1.00 0.02 C HETATM 1730 CG ASP A 1 7.164 -4.086 -4.716 1.00 -0.04 C HETATM 1731 CD1 ASP A 1 8.026 -3.097 -5.164 1.00 -0.06 C HETATM 1732 CE1 ASP A 1 7.546 -1.999 -5.852 1.00 -0.07 C HETATM 1733 CZ ASP A 1 6.192 -1.879 -6.099 1.00 -0.07 C HETATM 1734 CE2 ASP A 1 5.323 -2.857 -5.658 1.00 -0.07 C HETATM 1735 CD2 ASP A 1 5.809 -3.953 -4.970 1.00 -0.06 C HETATM 1736 H ASP A 1 5.118 -4.721 -4.623 1.00 0.06 H HETATM 1737 H ASP A 1 4.254 -2.765 -5.852 1.00 0.06 H HETATM 1738 H ASP A 1 5.811 -1.014 -6.641 1.00 0.06 H HETATM 1739 H ASP A 1 8.235 -1.229 -6.199 1.00 0.06 H HETATM 1740 H ASP A 1 9.095 -3.187 -4.971 1.00 0.06 H HETATM 1741 H ASP A 1 8.071 -4.922 -3.011 1.00 0.05 H HETATM 1742 H ASP A 1 6.870 -5.991 -3.871 1.00 0.05 H HETATM 1743 H ASP A 1 9.040 -5.482 -5.628 1.00 0.08 H HETATM 1744 H ASP A 1 8.423 -7.674 -5.957 1.00 0.19 H HETATM 1745 CB ASP A 1 7.273 -10.452 -3.287 1.00 -0.00 C HETATM 1746 CG ASP A 1 8.360 -11.003 -2.379 1.00 0.00 C HETATM 1747 CD ASP A 1 8.507 -12.508 -2.488 1.00 0.04 C HETATM 1748 OE1 ASP A 1 7.470 -13.205 -2.485 1.00 -0.57 O HETATM 1749 OE2 ASP A 1 9.655 -12.988 -2.577 1.00 -0.57 O HETATM 1750 H ASP A 1 8.088 -10.767 -1.350 1.00 0.04 H HETATM 1751 H ASP A 1 9.306 -10.552 -2.678 1.00 0.04 H HETATM 1752 H ASP A 1 6.724 -11.302 -3.692 1.00 0.03 H HETATM 1753 H ASP A 1 6.658 -9.779 -2.689 1.00 0.03 H HETATM 1754 H ASP A 1 7.036 -9.573 -5.234 1.00 0.08 H HETATM 1755 H ASP A 1 9.821 -10.415 -4.519 1.00 0.19 H HETATM 1756 CB ASP A 1 10.420 -12.809 -6.012 1.00 0.06 C HETATM 1757 CG ASP A 1 9.261 -13.776 -6.150 1.00 0.04 C HETATM 1758 OD1 ASP A 1 8.282 -13.642 -5.387 1.00 -0.57 O HETATM 1759 OD2 ASP A 1 9.331 -14.667 -7.023 1.00 -0.57 O HETATM 1760 H ASP A 1 10.526 -12.559 -4.956 1.00 0.05 H HETATM 1761 H ASP A 1 11.310 -13.290 -6.418 1.00 0.05 H HETATM 1762 H ASP A 1 10.072 -11.741 -7.843 1.00 0.11 H HETATM 1763 H ASP A 1 11.177 -9.765 -7.163 1.00 0.20 H HETATM 1764 H ASP A 1 11.483 -10.407 -5.657 1.00 0.20 H HETATM 1765 H ASP A 1 12.174 -11.091 -7.010 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 265 264 1212 CONECT 1212 265 1211 CONECT 1649 1650 1763 1764 1765 CONECT 1650 1649 1651 1756 1762 CONECT 1651 1650 1652 1653 CONECT 1652 1651 CONECT 1653 1651 1654 1755 CONECT 1654 1653 1655 1745 1754 CONECT 1655 1654 1656 1657 CONECT 1656 1655 CONECT 1657 1655 1658 1744 CONECT 1658 1657 1659 1729 1743 CONECT 1659 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 1662 1728 CONECT 1662 1661 1663 1687 1727 CONECT 1663 1662 1664 1685 1686 CONECT 1664 1663 1665 1683 1684 CONECT 1665 1664 1666 1681 1682 CONECT 1666 1665 1667 1679 1680 CONECT 1667 1666 1668 1677 1678 CONECT 1668 1667 1669 1673 1676 CONECT 1669 1668 1670 1671 1672 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1669 CONECT 1673 1668 1674 1675 CONECT 1674 1673 CONECT 1675 1673 CONECT 1676 1668 CONECT 1677 1667 CONECT 1678 1667 CONECT 1679 1666 CONECT 1680 1666 CONECT 1681 1665 CONECT 1682 1665 CONECT 1683 1664 CONECT 1684 1664 CONECT 1685 1663 CONECT 1686 1663 CONECT 1687 1662 1688 1689 CONECT 1688 1687 CONECT 1689 1687 1690 1726 CONECT 1690 1689 1691 1721 1725 CONECT 1691 1690 1692 1693 CONECT 1692 1691 CONECT 1693 1691 1694 1720 CONECT 1694 1693 1695 1713 1719 CONECT 1695 1694 1696 1697 CONECT 1696 1695 CONECT 1697 1695 1698 1712 CONECT 1698 1697 1699 1702 1711 CONECT 1699 1698 1700 1701 CONECT 1700 1699 CONECT 1701 1699 CONECT 1702 1698 1703 1709 1710 CONECT 1703 1702 1704 1707 1708 CONECT 1704 1703 1705 1706 CONECT 1705 1704 CONECT 1706 1704 CONECT 1707 1703 CONECT 1708 1703 CONECT 1709 1702 CONECT 1710 1702 CONECT 1711 1698 CONECT 1712 1697 CONECT 1713 1694 1714 1717 1718 CONECT 1714 1713 1715 1716 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1713 CONECT 1718 1713 CONECT 1719 1694 CONECT 1720 1693 CONECT 1721 1690 1722 1723 1724 CONECT 1722 1721 CONECT 1723 1721 CONECT 1724 1721 CONECT 1725 1690 CONECT 1726 1689 CONECT 1727 1662 CONECT 1728 1661 CONECT 1729 1658 1730 1741 1742 CONECT 1730 1729 1731 1735 CONECT 1731 1730 1732 1740 CONECT 1732 1731 1733 1739 CONECT 1733 1732 1734 1738 CONECT 1734 1733 1735 1737 CONECT 1735 1730 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1733 CONECT 1739 1732 CONECT 1740 1731 CONECT 1741 1729 CONECT 1742 1729 CONECT 1743 1658 CONECT 1744 1657 CONECT 1745 1654 1746 1752 1753 CONECT 1746 1745 1747 1750 1751 CONECT 1747 1746 1748 1749 CONECT 1748 1747 CONECT 1749 1747 CONECT 1750 1746 CONECT 1751 1746 CONECT 1752 1745 CONECT 1753 1745 CONECT 1754 1654 CONECT 1755 1653 CONECT 1756 1650 1757 1760 1761 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1756 CONECT 1761 1756 CONECT 1762 1650 CONECT 1763 1649 CONECT 1764 1649 CONECT 1765 1649 MASTER 0 0 0 0 0 0 0 0 1764 1 123 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2mov
RCSB PDB
PDBbind
105aa, >2MOV_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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2nmb
RCSB PDB
PDBbind
7-mer
2pem
RCSB PDB
PDBbind
7-mer
2pv1
RCSB PDB
PDBbind
7-mer
2q3z
RCSB PDB
PDBbind
7-mer
2w6u
RCSB PDB
PDBbind
7-mer
2w78
RCSB PDB
PDBbind
7-mer
2xqq
RCSB PDB
PDBbind
7-mer
2zlf
RCSB PDB
PDBbind
7-mer
3dda
RCSB PDB
PDBbind
7-mer
3ddb
RCSB PDB
PDBbind
7-mer
3fvh
RCSB PDB
PDBbind
7-mer
3ifl
RCSB PDB
PDBbind
7-mer
3ifo
RCSB PDB
PDBbind
7-mer
3ifp
RCSB PDB
PDBbind
7-mer
3l81
RCSB PDB
PDBbind
7-mer
3nzi
RCSB PDB
PDBbind
7-mer
3ole
RCSB PDB
PDBbind
7-mer
3olg
RCSB PDB
PDBbind
7-mer
3oli
RCSB PDB
PDBbind
7-mer
3rq7
RCSB PDB
PDBbind
7-mer
3rul
RCSB PDB
PDBbind
7-mer
3rum
RCSB PDB
PDBbind
7-mer
3run
RCSB PDB
PDBbind
7-mer
3stj
RCSB PDB
PDBbind
7-mer
3t6r
RCSB PDB
PDBbind
7-mer
3upv
RCSB PDB
PDBbind
7-mer
3uqr
RCSB PDB
PDBbind
7-mer
3vb6
RCSB PDB
PDBbind
7-mer
3vfj
RCSB PDB
PDBbind
7-mer
3wdc
RCSB PDB
PDBbind
7-mer
3wdd
RCSB PDB
PDBbind
7-mer
3wde
RCSB PDB
PDBbind
7-mer
4aif
RCSB PDB
PDBbind
7-mer
4dfw
RCSB PDB
PDBbind
7-mer
4dvf
RCSB PDB
PDBbind
7-mer
4eqf
RCSB PDB
PDBbind
7-mer
4ezw
RCSB PDB
PDBbind
7-mer
4ezx
RCSB PDB
PDBbind
7-mer
4ezy
RCSB PDB
PDBbind
7-mer
4ezz
RCSB PDB
PDBbind
7-mer
4fbx
RCSB PDB
PDBbind
7-mer
4fgx
RCSB PDB
PDBbind
7-mer
4gne
RCSB PDB
PDBbind
7-mer
4gpl
RCSB PDB
PDBbind
7-mer
4igk
RCSB PDB
PDBbind
7-mer
4j73
RCSB PDB
PDBbind
7-mer
4lp9
RCSB PDB
PDBbind
7-mer
4mn3
RCSB PDB
PDBbind
7-mer
4o6w
RCSB PDB
PDBbind
7-mer
4onf
RCSB PDB
PDBbind
7-mer
4tky
RCSB PDB
PDBbind
7-mer
4u0g
RCSB PDB
PDBbind
7-mer
6iso
RCSB PDB
PDBbind
7-mer
4x3i
RCSB PDB
PDBbind
7-mer
4x3k
RCSB PDB
PDBbind
7-mer
4y32
RCSB PDB
PDBbind
7-mer
4y3b
RCSB PDB
PDBbind
7-mer
5cs2
RCSB PDB
PDBbind
7-mer
5hjd
RCSB PDB
PDBbind
7-mer
5j5x
RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
5n7g
RCSB PDB
PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
RCSB PDB
PDBbind
7-mer
5ovv
RCSB PDB
PDBbind
7-mer
5oyd
RCSB PDB
PDBbind
7-mer
5w38
RCSB PDB
PDBbind
7-mer
5wxg
RCSB PDB
PDBbind
7-mer
5wxh
RCSB PDB
PDBbind
7-mer
5xo2
RCSB PDB
PDBbind
7-mer
5xof
RCSB PDB
PDBbind
7-mer
5y20
RCSB PDB
PDBbind
7-mer
5yyf
RCSB PDB
PDBbind
7-mer
6b67
RCSB PDB
PDBbind
7-mer
6cen
RCSB PDB
PDBbind
7-mer
6do3
RCSB PDB
PDBbind
7-mer
6exj
RCSB PDB
PDBbind
7-mer
6mnf
RCSB PDB
PDBbind
7-mer
7kme
RCSB PDB
PDBbind
7-mer
8hvp
RCSB PDB
PDBbind
7-mer
6pka
RCSB PDB
PDBbind
7-mer
6p3w
RCSB PDB
PDBbind
7-mer
6oxl
RCSB PDB
PDBbind
7-mer
6om4
RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
6mqm
RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
6frj
RCSB PDB
PDBbind
7-mer
6cn8
RCSB PDB
PDBbind
7-mer
5n7b
RCSB PDB
PDBbind
7-mer
6dn5
RCSB PDB
PDBbind
7-mer
Entry Information
PDB ID
2l7u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Advanced glycosylation end product-specific receptor
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=104uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Structure Vol. 19: pp. 722-732
Ligand Properties
Formula
C
3
9
H
5
8
N
8
O
1
8
Molecular Weight
926.921
Exact Mass
926.387
No. of atoms
123
No. of bonds
123
Polar Surface Area
442.65
LOGP Value
-0.16 (
Computed with XLOGP3
)
-2.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 1
Canonical SMILES
OC(=O)CC[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)O)CCC(=O)O)CC(=O)O)C)CCCC[NH2+][C@@H](C(=O)O)C)Cc1ccccc1)NC(=O)[C@H](CC(=O)O)[NH3+]
InChI String
InChI=1S/C39H56N8O18/c1-19(32(56)46-27(18-31(54)55)37(61)45-25(39(64)65)12-14-29(50)51)42-34(58)23(10-6-7-15-41-20(2)38(62)63)44-36(60)26(16-21-8-4-3-5-9-21)47-35(59)24(11-13-28(48)49)43-33(57)22(40)17-30(52)53/h3-5,8-9,19-20,22-27,41H,6-7,10-18,40H2,1-2H3,(H,42,58)(H,43,57)(H,44,60)(H,45,61)(H,46,56)(H,47,59)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,62,63)(H,64,65)/p+2/t19-,20+,22-,23-,24-,25-,26-,27-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P02769
Q15109
Entrez Gene ID
NCBI Entrez Gene ID:
280717
177
ASD
Information of known allosteric effects of PDB entries
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