Browse entries in the PDBbind-CN Database
HEADER 4LUZ_COMPLEX COMPND 4LUZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 253 57 ATOM 1 N GLY A -2 -1.593 4.619 8.667 1.00 33.72 N ATOM 2 CA GLY A -2 -0.831 3.810 9.602 1.00 31.68 C ATOM 3 C GLY A -2 0.238 2.963 8.937 1.00 33.77 C ATOM 4 O GLY A -2 0.499 3.109 7.744 1.00 32.37 O ATOM 5 HA3 GLY A -2 -1.520 3.148 10.127 1.00 0.00 H ATOM 6 HA2 GLY A -2 -0.349 4.474 10.320 1.00 0.00 H ATOM 7 HN3 GLY A -2 -2.068 3.999 7.981 1.00 0.00 H ATOM 8 HN2 GLY A -2 -0.950 5.265 8.165 1.00 0.00 H ATOM 9 HN1 GLY A -2 -2.304 5.171 9.188 1.00 0.00 H ATOM 10 N SER A -1 0.856 2.073 9.713 1.00 33.98 N ATOM 11 CA SER A -1 1.909 1.189 9.204 1.00 43.23 C ATOM 12 C SER A -1 1.412 0.343 8.029 1.00 37.49 C ATOM 13 O SER A -1 0.203 0.229 7.820 1.00 32.15 O ATOM 14 CB SER A -1 2.444 0.287 10.324 1.00 41.70 C ATOM 15 OG SER A -1 2.989 1.056 11.389 1.00 40.85 O ATOM 16 HA SER A -1 2.722 1.818 8.842 1.00 0.00 H ATOM 17 HB2 SER A -1 3.222 -0.360 9.918 1.00 0.00 H ATOM 18 HB3 SER A -1 1.628 -0.325 10.708 1.00 0.00 H ATOM 19 HG SER A -1 3.325 0.449 12.095 1.00 0.00 H ATOM 20 H SER A -1 0.582 2.003 10.714 1.00 0.00 H ATOM 21 N HIS A 0 2.345 -0.225 7.263 1.00 36.14 N ATOM 22 CA HIS A 0 2.008 -1.055 6.104 1.00 29.55 C ATOM 23 C HIS A 0 1.227 -0.215 5.083 1.00 26.47 C ATOM 24 O HIS A 0 0.114 -0.563 4.709 1.00 23.49 O ATOM 25 CB HIS A 0 1.208 -2.286 6.579 1.00 34.72 C ATOM 26 CG HIS A 0 0.763 -3.203 5.483 1.00 35.88 C ATOM 27 ND1 HIS A 0 1.563 -3.532 4.412 1.00 42.76 N ATOM 28 CD2 HIS A 0 -0.403 -3.873 5.304 1.00 34.02 C ATOM 29 CE1 HIS A 0 0.909 -4.362 3.614 1.00 29.31 C ATOM 30 NE2 HIS A 0 -0.284 -4.583 4.134 1.00 35.33 N ATOM 31 HA HIS A 0 2.912 -1.413 5.612 1.00 0.00 H ATOM 32 HB2 HIS A 0 1.836 -2.855 7.265 1.00 0.00 H ATOM 33 HB3 HIS A 0 0.322 -1.933 7.107 1.00 0.00 H ATOM 34 HD2 HIS A 0 -1.270 -3.852 5.964 1.00 0.00 H ATOM 35 HE1 HIS A 0 1.290 -4.789 2.687 1.00 0.00 H ATOM 36 H HIS A 0 3.347 -0.073 7.497 1.00 0.00 H ATOM 37 N MET A 1 1.811 0.902 4.647 1.00 20.83 N ATOM 38 CA MET A 1 1.060 1.916 3.880 1.00 16.42 C ATOM 39 C MET A 1 0.420 1.423 2.589 1.00 10.25 C ATOM 40 O MET A 1 -0.659 1.869 2.227 1.00 12.51 O ATOM 41 CB MET A 1 1.908 3.162 3.591 1.00 12.99 C ATOM 42 CG MET A 1 2.120 4.039 4.811 1.00 22.55 C ATOM 43 SD MET A 1 2.759 5.659 4.375 1.00 24.17 S ATOM 44 CE MET A 1 4.457 5.242 4.014 1.00 12.61 C ATOM 45 HA MET A 1 0.235 2.172 4.545 1.00 0.00 H ATOM 46 HB2 MET A 1 2.882 2.840 3.222 1.00 0.00 H ATOM 47 HB3 MET A 1 1.407 3.752 2.823 1.00 0.00 H ATOM 48 HG2 MET A 1 2.829 3.549 5.478 1.00 0.00 H ATOM 49 HG3 MET A 1 1.167 4.163 5.325 1.00 0.00 H ATOM 50 HE1 MET A 1 4.920 4.808 4.901 1.00 0.00 H ATOM 51 HE2 MET A 1 4.487 4.521 3.197 1.00 0.00 H ATOM 52 HE3 MET A 1 4.997 6.143 3.724 1.00 0.00 H ATOM 53 H MET A 1 2.818 1.062 4.852 1.00 0.00 H ATOM 54 N VAL A 2 1.080 0.511 1.887 1.00 15.05 N ATOM 55 CA VAL A 2 0.530 0.024 0.627 1.00 13.76 C ATOM 56 C VAL A 2 -0.756 -0.765 0.887 1.00 13.49 C ATOM 57 O VAL A 2 -1.578 -0.929 -0.004 1.00 10.52 O ATOM 58 CB VAL A 2 1.547 -0.809 -0.178 1.00 17.56 C ATOM 59 CG1 VAL A 2 1.803 -2.142 0.502 1.00 15.42 C ATOM 60 CG2 VAL A 2 1.059 -1.011 -1.593 1.00 18.33 C ATOM 61 HA VAL A 2 0.293 0.892 0.012 1.00 0.00 H ATOM 62 HB VAL A 2 2.490 -0.263 -0.217 1.00 0.00 H ATOM 63 HG11 VAL A 2 2.201 -1.968 1.502 1.00 0.00 H ATOM 64 HG12 VAL A 2 0.868 -2.698 0.573 1.00 0.00 H ATOM 65 HG13 VAL A 2 2.524 -2.714 -0.082 1.00 0.00 H ATOM 66 HG21 VAL A 2 0.104 -1.536 -1.575 1.00 0.00 H ATOM 67 HG22 VAL A 2 0.933 -0.041 -2.074 1.00 0.00 H ATOM 68 HG23 VAL A 2 1.789 -1.601 -2.147 1.00 0.00 H ATOM 69 H VAL A 2 1.989 0.144 2.235 1.00 0.00 H ATOM 70 N GLY A 3 -0.944 -1.207 2.129 1.00 13.50 N ATOM 71 CA GLY A 3 -2.163 -1.899 2.516 1.00 13.37 C ATOM 72 C GLY A 3 -3.382 -0.983 2.503 1.00 12.91 C ATOM 73 O GLY A 3 -4.512 -1.450 2.644 1.00 14.27 O ATOM 74 HA3 GLY A 3 -2.035 -2.297 3.523 1.00 0.00 H ATOM 75 HA2 GLY A 3 -2.335 -2.721 1.821 1.00 0.00 H ATOM 76 H GLY A 3 -0.201 -1.053 2.840 1.00 0.00 H ATOM 77 N GLN A 4 -3.152 0.318 2.342 1.00 9.75 N ATOM 78 CA GLN A 4 -4.219 1.307 2.246 1.00 13.62 C ATOM 79 C GLN A 4 -4.812 1.386 0.848 1.00 10.94 C ATOM 80 O GLN A 4 -5.883 1.965 0.649 1.00 9.51 O ATOM 81 CB GLN A 4 -3.676 2.685 2.624 1.00 14.48 C ATOM 82 CG GLN A 4 -3.147 2.803 4.035 1.00 26.19 C ATOM 83 CD GLN A 4 -4.208 2.520 5.064 1.00 25.61 C ATOM 84 OE1 GLN A 4 -5.036 3.375 5.368 1.00 30.25 O ATOM 85 NE2 GLN A 4 -4.196 1.310 5.606 1.00 37.67 N ATOM 86 HA GLN A 4 -5.007 0.996 2.932 1.00 0.00 H ATOM 87 HB2 GLN A 4 -2.865 2.928 1.938 1.00 0.00 H ATOM 88 HB3 GLN A 4 -4.481 3.410 2.504 1.00 0.00 H ATOM 89 HG2 GLN A 4 -2.332 2.091 4.166 1.00 0.00 H ATOM 90 HG3 GLN A 4 -2.772 3.815 4.186 1.00 0.00 H ATOM 91 HE22 GLN A 4 -3.475 0.618 5.317 1.00 0.00 H ATOM 92 HE21 GLN A 4 -4.907 1.053 6.320 1.00 0.00 H ATOM 93 H GLN A 4 -2.166 0.644 2.282 1.00 0.00 H ATOM 94 N LEU A 5 -4.092 0.844 -0.129 1.00 10.04 N ATOM 95 CA LEU A 5 -4.495 0.938 -1.534 1.00 8.96 C ATOM 96 C LEU A 5 -4.993 -0.393 -2.102 1.00 7.81 C ATOM 97 O LEU A 5 -4.591 -1.467 -1.639 1.00 9.66 O ATOM 98 CB LEU A 5 -3.333 1.441 -2.392 1.00 6.97 C ATOM 99 CG LEU A 5 -2.699 2.750 -1.906 1.00 12.37 C ATOM 100 CD1 LEU A 5 -1.572 3.182 -2.841 1.00 11.32 C ATOM 101 CD2 LEU A 5 -3.745 3.850 -1.779 1.00 10.83 C ATOM 102 HA LEU A 5 -5.324 1.645 -1.566 1.00 0.00 H ATOM 103 HB2 LEU A 5 -2.560 0.672 -2.402 1.00 0.00 H ATOM 104 HB3 LEU A 5 -3.702 1.598 -3.406 1.00 0.00 H ATOM 105 HG LEU A 5 -2.276 2.573 -0.917 1.00 0.00 H ATOM 106 HD21 LEU A 5 -4.207 4.025 -2.751 1.00 0.00 H ATOM 107 HD22 LEU A 5 -4.508 3.544 -1.063 1.00 0.00 H ATOM 108 HD23 LEU A 5 -3.267 4.766 -1.433 1.00 0.00 H ATOM 109 HD11 LEU A 5 -0.806 2.407 -2.867 1.00 0.00 H ATOM 110 HD12 LEU A 5 -1.972 3.334 -3.844 1.00 0.00 H ATOM 111 HD13 LEU A 5 -1.136 4.113 -2.477 1.00 0.00 H ATOM 112 H LEU A 5 -3.216 0.338 0.111 1.00 0.00 H ATOM 113 N SER A 6 -5.871 -0.304 -3.099 1.00 8.32 N ATOM 114 CA SER A 6 -6.462 -1.484 -3.730 1.00 8.85 C ATOM 115 C SER A 6 -5.490 -2.143 -4.706 1.00 11.27 C ATOM 116 O SER A 6 -5.665 -2.067 -5.925 1.00 8.67 O ATOM 117 CB SER A 6 -7.758 -1.114 -4.445 1.00 6.94 C ATOM 118 OG SER A 6 -8.780 -0.808 -3.506 1.00 11.66 O ATOM 119 HA SER A 6 -6.685 -2.203 -2.942 1.00 0.00 H ATOM 120 HB2 SER A 6 -8.079 -1.953 -5.062 1.00 0.00 H ATOM 121 HB3 SER A 6 -7.582 -0.245 -5.079 1.00 0.00 H ATOM 122 HG SER A 6 -9.611 -0.571 -3.990 1.00 0.00 H ATOM 123 H SER A 6 -6.147 0.639 -3.442 1.00 0.00 H ATOM 124 N ARG A 7 -4.476 -2.799 -4.154 1.00 10.39 N ATOM 125 CA ARG A 7 -3.449 -3.448 -4.958 1.00 9.30 C ATOM 126 C ARG A 7 -4.109 -4.423 -5.900 1.00 15.23 C ATOM 127 O ARG A 7 -4.863 -5.289 -5.466 1.00 14.21 O ATOM 128 CB ARG A 7 -2.467 -4.199 -4.066 1.00 8.53 C ATOM 129 CG ARG A 7 -1.482 -3.283 -3.355 1.00 14.68 C ATOM 130 CD ARG A 7 -0.584 -4.070 -2.433 1.00 12.97 C ATOM 131 NE ARG A 7 -1.298 -4.565 -1.260 1.00 18.86 N ATOM 132 CZ ARG A 7 -0.741 -5.289 -0.294 1.00 20.32 C ATOM 133 NH1 ARG A 7 0.542 -5.620 -0.363 1.00 22.58 N ATOM 134 NH2 ARG A 7 -1.467 -5.682 0.746 1.00 20.89 N ATOM 135 HA ARG A 7 -2.904 -2.689 -5.519 1.00 0.00 H ATOM 136 HB2 ARG A 7 -3.033 -4.750 -3.315 1.00 0.00 H ATOM 137 HB3 ARG A 7 -1.905 -4.901 -4.683 1.00 0.00 H ATOM 138 HG2 ARG A 7 -0.870 -2.771 -4.098 1.00 0.00 H ATOM 139 HG3 ARG A 7 -2.036 -2.547 -2.772 1.00 0.00 H ATOM 140 HD2 ARG A 7 0.231 -3.427 -2.103 1.00 0.00 H ATOM 141 HD3 ARG A 7 -0.176 -4.920 -2.981 1.00 0.00 H ATOM 142 HE ARG A 7 -2.309 -4.336 -1.174 1.00 0.00 H ATOM 143 HH12 ARG A 7 0.974 -6.186 0.394 1.00 0.00 H ATOM 144 HH11 ARG A 7 1.115 -5.313 -1.175 1.00 0.00 H ATOM 145 HH22 ARG A 7 -1.030 -6.248 1.501 1.00 0.00 H ATOM 146 HH21 ARG A 7 -2.473 -5.424 0.806 1.00 0.00 H ATOM 147 H ARG A 7 -4.413 -2.851 -3.117 1.00 0.00 H ATOM 148 N GLY A 8 -3.849 -4.256 -7.189 1.00 11.48 N ATOM 149 CA GLY A 8 -4.414 -5.127 -8.203 1.00 11.83 C ATOM 150 C GLY A 8 -5.613 -4.555 -8.930 1.00 14.13 C ATOM 151 O GLY A 8 -6.064 -5.119 -9.932 1.00 11.24 O ATOM 152 HA3 GLY A 8 -4.720 -6.056 -7.722 1.00 0.00 H ATOM 153 HA2 GLY A 8 -3.639 -5.339 -8.940 1.00 0.00 H ATOM 154 H GLY A 8 -3.223 -3.479 -7.482 1.00 0.00 H ATOM 155 N ALA A 9 -6.146 -3.442 -8.434 1.00 9.79 N ATOM 156 CA ALA A 9 -7.322 -2.843 -9.053 1.00 8.89 C ATOM 157 C ALA A 9 -7.026 -2.320 -10.450 1.00 13.91 C ATOM 158 O ALA A 9 -7.880 -2.373 -11.329 1.00 12.26 O ATOM 159 CB ALA A 9 -7.895 -1.724 -8.184 1.00 10.69 C ATOM 160 HA ALA A 9 -8.067 -3.634 -9.142 1.00 0.00 H ATOM 161 HB1 ALA A 9 -8.181 -2.130 -7.213 1.00 0.00 H ATOM 162 HB2 ALA A 9 -7.141 -0.949 -8.048 1.00 0.00 H ATOM 163 HB3 ALA A 9 -8.771 -1.298 -8.673 1.00 0.00 H ATOM 164 H ALA A 9 -5.720 -2.995 -7.597 1.00 0.00 H ATOM 165 N ILE A 10 -5.827 -1.802 -10.664 1.00 9.23 N ATOM 166 CA ILE A 10 -5.521 -1.269 -11.986 1.00 12.18 C ATOM 167 C ILE A 10 -5.542 -2.390 -13.041 1.00 13.12 C ATOM 168 O ILE A 10 -6.175 -2.257 -14.093 1.00 11.92 O ATOM 169 CB ILE A 10 -4.218 -0.433 -11.968 1.00 12.52 C ATOM 170 CG1 ILE A 10 -4.519 0.933 -11.322 1.00 7.55 C ATOM 171 CG2 ILE A 10 -3.639 -0.293 -13.373 1.00 10.77 C ATOM 172 CD1 ILE A 10 -3.303 1.811 -11.073 1.00 13.22 C ATOM 173 HA ILE A 10 -6.303 -0.569 -12.281 1.00 0.00 H ATOM 174 HB ILE A 10 -3.457 -0.940 -11.375 1.00 0.00 H ATOM 175 HG12 ILE A 10 -5.198 1.475 -11.980 1.00 0.00 H ATOM 176 HG13 ILE A 10 -5.008 0.754 -10.365 1.00 0.00 H ATOM 177 HD11 ILE A 10 -2.614 1.295 -10.404 1.00 0.00 H ATOM 178 HD12 ILE A 10 -2.805 2.017 -12.020 1.00 0.00 H ATOM 179 HD13 ILE A 10 -3.621 2.748 -10.617 1.00 0.00 H ATOM 180 HG21 ILE A 10 -3.415 -1.282 -13.773 1.00 0.00 H ATOM 181 HG22 ILE A 10 -4.365 0.204 -14.016 1.00 0.00 H ATOM 182 HG23 ILE A 10 -2.725 0.299 -13.330 1.00 0.00 H ATOM 183 H ILE A 10 -5.117 -1.776 -9.904 1.00 0.00 H ATOM 184 N ALA A 11 -4.909 -3.511 -12.729 1.00 11.87 N ATOM 185 CA ALA A 11 -4.937 -4.666 -13.633 1.00 16.22 C ATOM 186 C ALA A 11 -6.359 -5.166 -13.844 1.00 18.92 C ATOM 187 O ALA A 11 -6.748 -5.494 -14.960 1.00 23.13 O ATOM 188 CB ALA A 11 -4.060 -5.774 -13.112 1.00 16.06 C ATOM 189 HA ALA A 11 -4.547 -4.342 -14.598 1.00 0.00 H ATOM 190 HB1 ALA A 11 -3.034 -5.416 -13.030 1.00 0.00 H ATOM 191 HB2 ALA A 11 -4.416 -6.086 -12.130 1.00 0.00 H ATOM 192 HB3 ALA A 11 -4.097 -6.619 -13.799 1.00 0.00 H ATOM 193 H ALA A 11 -4.386 -3.573 -11.832 1.00 0.00 H ATOM 194 N ALA A 12 -7.136 -5.224 -12.769 1.00 16.43 N ATOM 195 CA ALA A 12 -8.527 -5.658 -12.862 1.00 18.01 C ATOM 196 C ALA A 12 -9.325 -4.774 -13.811 1.00 16.43 C ATOM 197 O ALA A 12 -10.123 -5.264 -14.610 1.00 22.36 O ATOM 198 CB ALA A 12 -9.178 -5.681 -11.483 1.00 16.24 C ATOM 199 HA ALA A 12 -8.529 -6.670 -13.266 1.00 0.00 H ATOM 200 HB1 ALA A 12 -8.635 -6.372 -10.838 1.00 0.00 H ATOM 201 HB2 ALA A 12 -9.149 -4.680 -11.052 1.00 0.00 H ATOM 202 HB3 ALA A 12 -10.214 -6.007 -11.577 1.00 0.00 H ATOM 203 H ALA A 12 -6.746 -4.955 -11.843 1.00 0.00 H ATOM 204 N ILE A 13 -9.115 -3.464 -13.718 1.00 21.83 N ATOM 205 CA ILE A 13 -9.799 -2.525 -14.594 1.00 16.50 C ATOM 206 C ILE A 13 -9.367 -2.748 -16.036 1.00 21.93 C ATOM 207 O ILE A 13 -10.185 -2.743 -16.956 1.00 23.66 O ATOM 208 CB ILE A 13 -9.495 -1.056 -14.214 1.00 19.22 C ATOM 209 CG1 ILE A 13 -10.156 -0.688 -12.878 1.00 19.01 C ATOM 210 CG2 ILE A 13 -9.992 -0.114 -15.295 1.00 20.95 C ATOM 211 CD1 ILE A 13 -9.843 0.718 -12.404 1.00 17.89 C ATOM 212 HA ILE A 13 -10.869 -2.702 -14.481 1.00 0.00 H ATOM 213 HB ILE A 13 -8.414 -0.955 -14.115 1.00 0.00 H ATOM 214 HG12 ILE A 13 -11.236 -0.779 -12.993 1.00 0.00 H ATOM 215 HG13 ILE A 13 -9.812 -1.391 -12.119 1.00 0.00 H ATOM 216 HD11 ILE A 13 -8.766 0.824 -12.272 1.00 0.00 H ATOM 217 HD12 ILE A 13 -10.192 1.436 -13.146 1.00 0.00 H ATOM 218 HD13 ILE A 13 -10.347 0.901 -11.455 1.00 0.00 H ATOM 219 HG21 ILE A 13 -9.494 -0.348 -16.236 1.00 0.00 H ATOM 220 HG22 ILE A 13 -11.069 -0.234 -15.413 1.00 0.00 H ATOM 221 HG23 ILE A 13 -9.769 0.914 -15.010 1.00 0.00 H ATOM 222 H ILE A 13 -8.449 -3.104 -13.005 1.00 0.00 H ATOM 223 N MET A 14 -8.071 -2.957 -16.216 1.00 17.51 N ATOM 224 CA MET A 14 -7.505 -3.014 -17.558 1.00 20.26 C ATOM 225 C MET A 14 -7.560 -4.405 -18.195 1.00 23.19 C ATOM 226 O MET A 14 -7.789 -4.513 -19.400 1.00 24.97 O ATOM 227 CB MET A 14 -6.079 -2.457 -17.571 1.00 19.13 C ATOM 228 CG MET A 14 -5.969 -1.026 -17.044 1.00 18.64 C ATOM 229 SD MET A 14 -6.899 0.197 -17.993 1.00 20.70 S ATOM 230 CE MET A 14 -5.764 0.533 -19.340 1.00 24.64 C ATOM 231 HA MET A 14 -8.140 -2.381 -18.179 1.00 0.00 H ATOM 232 HB2 MET A 14 -5.453 -3.100 -16.952 1.00 0.00 H ATOM 233 HB3 MET A 14 -5.713 -2.474 -18.597 1.00 0.00 H ATOM 234 HG2 MET A 14 -4.918 -0.739 -17.056 1.00 0.00 H ATOM 235 HG3 MET A 14 -6.336 -1.012 -16.018 1.00 0.00 H ATOM 236 HE1 MET A 14 -4.827 0.918 -18.937 1.00 0.00 H ATOM 237 HE2 MET A 14 -5.572 -0.388 -19.890 1.00 0.00 H ATOM 238 HE3 MET A 14 -6.205 1.272 -20.009 1.00 0.00 H ATOM 239 H MET A 14 -7.451 -3.082 -15.391 1.00 0.00 H ATOM 240 N GLN A 15 -7.358 -5.454 -17.398 1.00 19.28 N ATOM 241 CA GLN A 15 -7.387 -6.839 -17.907 1.00 24.06 C ATOM 242 C GLN A 15 -8.794 -7.449 -17.907 1.00 24.36 C ATOM 243 O GLN A 15 -9.150 -8.192 -18.819 1.00 28.71 O ATOM 244 CB GLN A 15 -6.444 -7.754 -17.100 1.00 19.62 C ATOM 245 CG GLN A 15 -4.964 -7.424 -17.212 1.00 22.41 C ATOM 246 CD GLN A 15 -4.112 -8.125 -16.158 1.00 26.24 C ATOM 247 OE1 GLN A 15 -4.602 -8.972 -15.415 1.00 34.50 O ATOM 248 NE2 GLN A 15 -2.829 -7.767 -16.089 1.00 33.01 N ATOM 249 HA GLN A 15 -7.046 -6.776 -18.940 1.00 0.00 H ATOM 250 HB2 GLN A 15 -6.726 -7.685 -16.049 1.00 0.00 H ATOM 251 HB3 GLN A 15 -6.588 -8.777 -17.448 1.00 0.00 H ATOM 252 HG2 GLN A 15 -4.614 -7.728 -18.199 1.00 0.00 H ATOM 253 HG3 GLN A 15 -4.839 -6.347 -17.099 1.00 0.00 H ATOM 254 HE22 GLN A 15 -2.455 -7.045 -16.738 1.00 0.00 H ATOM 255 HE21 GLN A 15 -2.203 -8.210 -15.387 1.00 0.00 H ATOM 256 H GLN A 15 -7.174 -5.292 -16.387 1.00 0.00 H ATOM 257 N LYS A 16 -9.583 -7.149 -16.876 1.00 25.08 N ATOM 258 CA LYS A 16 -10.911 -7.741 -16.724 1.00 28.30 C ATOM 259 C LYS A 16 -12.041 -6.794 -17.110 1.00 28.22 C ATOM 260 O LYS A 16 -13.155 -7.233 -17.394 1.00 24.17 O ATOM 261 CB LYS A 16 -11.142 -8.200 -15.285 1.00 30.27 C ATOM 262 CG LYS A 16 -10.151 -9.208 -14.766 1.00 34.59 C ATOM 263 CD LYS A 16 -10.549 -9.658 -13.373 1.00 29.53 C ATOM 264 CE LYS A 16 -11.972 -10.202 -13.364 1.00 41.80 C ATOM 265 NZ LYS A 16 -12.120 -11.379 -14.268 1.00 35.79 N ATOM 266 HA LYS A 16 -10.929 -8.590 -17.408 1.00 0.00 H ATOM 267 HB2 LYS A 16 -11.100 -7.322 -14.640 1.00 0.00 H ATOM 268 HB3 LYS A 16 -12.136 -8.644 -15.228 1.00 0.00 H ATOM 269 HG2 LYS A 16 -10.131 -10.071 -15.432 1.00 0.00 H ATOM 270 HG3 LYS A 16 -9.160 -8.755 -14.730 1.00 0.00 H ATOM 271 HD2 LYS A 16 -9.866 -10.440 -13.041 1.00 0.00 H ATOM 272 HD3 LYS A 16 -10.487 -8.809 -12.692 1.00 0.00 H ATOM 273 HE2 LYS A 16 -12.653 -9.416 -13.692 1.00 0.00 H ATOM 274 HE3 LYS A 16 -12.229 -10.502 -12.348 1.00 0.00 H ATOM 275 HZ1 LYS A 16 -11.883 -11.099 -15.241 1.00 0.00 H ATOM 276 HZ2 LYS A 16 -11.478 -12.136 -13.957 1.00 0.00 H ATOM 277 HZ3 LYS A 16 -13.102 -11.720 -14.234 1.00 0.00 H ATOM 278 H LYS A 16 -9.245 -6.475 -16.160 1.00 0.00 H ATOM 279 N GLY A 17 -11.760 -5.497 -17.114 1.00 25.01 N ATOM 280 CA GLY A 17 -12.791 -4.516 -17.388 1.00 29.69 C ATOM 281 C GLY A 17 -13.828 -4.520 -16.283 1.00 30.16 C ATOM 282 O GLY A 17 -15.007 -4.290 -16.525 1.00 27.54 O ATOM 283 HA3 GLY A 17 -13.274 -4.756 -18.335 1.00 0.00 H ATOM 284 HA2 GLY A 17 -12.338 -3.527 -17.453 1.00 0.00 H ATOM 285 H GLY A 17 -10.789 -5.181 -16.918 1.00 0.00 H ATOM 286 N ASP A 18 -13.378 -4.798 -15.063 1.00 25.16 N ATOM 287 CA ASP A 18 -14.252 -4.809 -13.895 1.00 27.57 C ATOM 288 C ASP A 18 -14.708 -3.382 -13.610 1.00 24.27 C ATOM 289 O ASP A 18 -13.872 -2.491 -13.478 1.00 31.01 O ATOM 290 CB ASP A 18 -13.479 -5.364 -12.696 1.00 32.90 C ATOM 291 CG ASP A 18 -14.383 -5.773 -11.555 1.00 24.57 C ATOM 292 OD1 ASP A 18 -15.512 -5.249 -11.465 1.00 27.81 O ATOM 293 OD2 ASP A 18 -13.961 -6.626 -10.747 1.00 23.45 O ATOM 294 HA ASP A 18 -15.123 -5.438 -14.079 1.00 0.00 H ATOM 295 HB2 ASP A 18 -12.911 -6.236 -13.021 1.00 0.00 H ATOM 296 HB3 ASP A 18 -12.792 -4.597 -12.339 1.00 0.00 H ATOM 297 H ASP A 18 -12.369 -5.015 -14.937 1.00 0.00 H ATOM 298 N THR A 19 -16.018 -3.155 -13.521 1.00 24.55 N ATOM 299 CA THR A 19 -16.534 -1.793 -13.343 1.00 27.29 C ATOM 300 C THR A 19 -17.343 -1.612 -12.075 1.00 26.74 C ATOM 301 O THR A 19 -17.842 -0.517 -11.796 1.00 28.81 O ATOM 302 CB THR A 19 -17.447 -1.376 -14.493 1.00 35.43 C ATOM 303 OG1 THR A 19 -17.889 -0.029 -14.275 1.00 35.99 O ATOM 304 CG2 THR A 19 -18.655 -2.270 -14.519 1.00 31.82 C ATOM 305 HA THR A 19 -15.636 -1.177 -13.300 1.00 0.00 H ATOM 306 HB THR A 19 -16.903 -1.451 -15.434 1.00 0.00 H ATOM 307 HG1 THR A 19 -18.385 0.020 -13.420 1.00 0.00 H ATOM 308 HG23 THR A 19 -18.340 -3.300 -14.684 1.00 0.00 H ATOM 309 HG21 THR A 19 -19.180 -2.197 -13.566 1.00 0.00 H ATOM 310 HG22 THR A 19 -19.319 -1.958 -15.325 1.00 0.00 H ATOM 311 H THR A 19 -16.683 -3.953 -13.578 1.00 0.00 H ATOM 312 N ASN A 20 -17.493 -2.685 -11.315 1.00 22.89 N ATOM 313 CA ASN A 20 -18.257 -2.624 -10.083 1.00 23.24 C ATOM 314 C ASN A 20 -17.376 -2.383 -8.869 1.00 22.75 C ATOM 315 O ASN A 20 -17.868 -2.005 -7.805 1.00 20.24 O ATOM 316 CB ASN A 20 -19.055 -3.904 -9.887 1.00 27.69 C ATOM 317 CG ASN A 20 -20.163 -4.035 -10.881 1.00 30.93 C ATOM 318 OD1 ASN A 20 -21.200 -3.380 -10.763 1.00 39.58 O ATOM 319 ND2 ASN A 20 -19.950 -4.868 -11.888 1.00 34.09 N ATOM 320 HA ASN A 20 -18.937 -1.777 -10.175 1.00 0.00 H ATOM 321 HB2 ASN A 20 -18.384 -4.756 -9.994 1.00 0.00 H ATOM 322 HB3 ASN A 20 -19.481 -3.902 -8.884 1.00 0.00 H ATOM 323 HD22 ASN A 20 -19.058 -5.399 -11.944 1.00 0.00 H ATOM 324 HD21 ASN A 20 -20.675 -4.991 -12.623 1.00 0.00 H ATOM 325 H ASN A 20 -17.057 -3.584 -11.605 1.00 0.00 H ATOM 326 N ILE A 21 -16.077 -2.607 -9.025 1.00 16.91 N ATOM 327 CA ILE A 21 -15.157 -2.390 -7.916 1.00 10.59 C ATOM 328 C ILE A 21 -15.180 -0.910 -7.541 1.00 9.94 C ATOM 329 O ILE A 21 -15.502 -0.052 -8.373 1.00 13.36 O ATOM 330 CB ILE A 21 -13.725 -2.859 -8.235 1.00 15.54 C ATOM 331 CG1 ILE A 21 -13.204 -2.236 -9.534 1.00 18.68 C ATOM 332 CG2 ILE A 21 -13.675 -4.390 -8.338 1.00 19.69 C ATOM 333 CD1 ILE A 21 -11.699 -2.486 -9.748 1.00 17.55 C ATOM 334 HA ILE A 21 -15.488 -2.993 -7.071 1.00 0.00 H ATOM 335 HB ILE A 21 -13.083 -2.529 -7.419 1.00 0.00 H ATOM 336 HG12 ILE A 21 -13.752 -2.666 -10.372 1.00 0.00 H ATOM 337 HG13 ILE A 21 -13.378 -1.161 -9.500 1.00 0.00 H ATOM 338 HD11 ILE A 21 -11.139 -2.053 -8.920 1.00 0.00 H ATOM 339 HD12 ILE A 21 -11.513 -3.559 -9.792 1.00 0.00 H ATOM 340 HD13 ILE A 21 -11.384 -2.023 -10.683 1.00 0.00 H ATOM 341 HG21 ILE A 21 -13.990 -4.827 -7.390 1.00 0.00 H ATOM 342 HG22 ILE A 21 -14.343 -4.721 -9.133 1.00 0.00 H ATOM 343 HG23 ILE A 21 -12.656 -4.705 -8.564 1.00 0.00 H ATOM 344 H ILE A 21 -15.715 -2.938 -9.942 1.00 0.00 H ATOM 345 N LYS A 22 -14.876 -0.612 -6.288 1.00 10.69 N ATOM 346 CA LYS A 22 -14.738 0.783 -5.869 1.00 10.96 C ATOM 347 C LYS A 22 -13.350 0.997 -5.284 1.00 8.71 C ATOM 348 O LYS A 22 -13.191 1.165 -4.070 1.00 9.17 O ATOM 349 CB LYS A 22 -15.843 1.144 -4.873 1.00 11.25 C ATOM 350 CG LYS A 22 -17.225 1.155 -5.538 1.00 15.53 C ATOM 351 CD LYS A 22 -18.338 1.370 -4.531 1.00 26.84 C ATOM 352 CE LYS A 22 -19.707 1.166 -5.179 1.00 36.31 C ATOM 353 NZ LYS A 22 -19.952 2.083 -6.333 1.00 24.04 N ATOM 354 HA LYS A 22 -14.848 1.445 -6.728 1.00 0.00 H ATOM 355 HB2 LYS A 22 -15.845 0.411 -4.066 1.00 0.00 H ATOM 356 HB3 LYS A 22 -15.640 2.133 -4.463 1.00 0.00 H ATOM 357 HG2 LYS A 22 -17.256 1.959 -6.274 1.00 0.00 H ATOM 358 HG3 LYS A 22 -17.383 0.200 -6.039 1.00 0.00 H ATOM 359 HD2 LYS A 22 -18.221 0.660 -3.712 1.00 0.00 H ATOM 360 HD3 LYS A 22 -18.275 2.386 -4.141 1.00 0.00 H ATOM 361 HE2 LYS A 22 -20.477 1.341 -4.427 1.00 0.00 H ATOM 362 HE3 LYS A 22 -19.774 0.137 -5.533 1.00 0.00 H ATOM 363 HZ1 LYS A 22 -19.901 3.069 -6.007 1.00 0.00 H ATOM 364 HZ2 LYS A 22 -19.230 1.920 -7.063 1.00 0.00 H ATOM 365 HZ3 LYS A 22 -20.895 1.896 -6.729 1.00 0.00 H ATOM 366 H LYS A 22 -14.734 -1.375 -5.596 1.00 0.00 H ATOM 367 N PRO A 23 -12.333 0.974 -6.153 1.00 9.61 N ATOM 368 CA PRO A 23 -10.944 0.894 -5.696 1.00 7.77 C ATOM 369 C PRO A 23 -10.431 2.140 -4.983 1.00 9.17 C ATOM 370 O PRO A 23 -10.809 3.271 -5.307 1.00 9.60 O ATOM 371 CB PRO A 23 -10.161 0.676 -6.993 1.00 7.12 C ATOM 372 CG PRO A 23 -11.006 1.302 -8.045 1.00 6.82 C ATOM 373 CD PRO A 23 -12.424 0.991 -7.625 1.00 10.09 C ATOM 374 HA PRO A 23 -10.836 0.107 -4.950 1.00 0.00 H ATOM 375 HD3 PRO A 23 -13.113 1.763 -7.967 1.00 0.00 H ATOM 376 HD2 PRO A 23 -12.744 0.023 -8.010 1.00 0.00 H ATOM 377 HG3 PRO A 23 -10.789 0.870 -9.022 1.00 0.00 H ATOM 378 HG2 PRO A 23 -10.842 2.379 -8.081 1.00 0.00 H ATOM 379 HB2 PRO A 23 -9.186 1.161 -6.942 1.00 0.00 H ATOM 380 HB3 PRO A 23 -10.026 -0.388 -7.188 1.00 0.00 H ATOM 381 N ILE A 24 -9.543 1.908 -4.025 1.00 9.52 N ATOM 382 CA ILE A 24 -8.833 2.989 -3.349 1.00 7.58 C ATOM 383 C ILE A 24 -7.467 3.143 -3.982 1.00 9.56 C ATOM 384 O ILE A 24 -6.638 2.218 -3.954 1.00 9.25 O ATOM 385 CB ILE A 24 -8.744 2.741 -1.834 1.00 7.02 C ATOM 386 CG1 ILE A 24 -10.154 2.694 -1.242 1.00 10.71 C ATOM 387 CG2 ILE A 24 -7.927 3.839 -1.141 1.00 6.97 C ATOM 388 CD1 ILE A 24 -10.176 2.345 0.238 1.00 13.52 C ATOM 389 HA ILE A 24 -9.385 3.921 -3.470 1.00 0.00 H ATOM 390 HB ILE A 24 -8.241 1.788 -1.669 1.00 0.00 H ATOM 391 HG12 ILE A 24 -10.617 3.672 -1.374 1.00 0.00 H ATOM 392 HG13 ILE A 24 -10.731 1.944 -1.783 1.00 0.00 H ATOM 393 HD11 ILE A 24 -9.725 1.363 0.385 1.00 0.00 H ATOM 394 HD12 ILE A 24 -9.611 3.093 0.795 1.00 0.00 H ATOM 395 HD13 ILE A 24 -11.207 2.330 0.591 1.00 0.00 H ATOM 396 HG21 ILE A 24 -6.918 3.853 -1.552 1.00 0.00 H ATOM 397 HG22 ILE A 24 -8.403 4.805 -1.309 1.00 0.00 H ATOM 398 HG23 ILE A 24 -7.882 3.636 -0.071 1.00 0.00 H ATOM 399 H ILE A 24 -9.347 0.925 -3.747 1.00 0.00 H ATOM 400 N LEU A 25 -7.253 4.326 -4.558 1.00 8.73 N ATOM 401 CA LEU A 25 -6.066 4.654 -5.328 1.00 7.45 C ATOM 402 C LEU A 25 -5.383 5.882 -4.747 1.00 10.44 C ATOM 403 O LEU A 25 -6.009 6.661 -4.040 1.00 9.75 O ATOM 404 CB LEU A 25 -6.466 4.967 -6.776 1.00 7.29 C ATOM 405 CG LEU A 25 -7.252 3.847 -7.459 1.00 9.66 C ATOM 406 CD1 LEU A 25 -7.703 4.234 -8.882 1.00 12.69 C ATOM 407 CD2 LEU A 25 -6.367 2.638 -7.486 1.00 7.95 C ATOM 408 HA LEU A 25 -5.385 3.803 -5.294 1.00 0.00 H ATOM 409 HB2 LEU A 25 -7.081 5.867 -6.775 1.00 0.00 H ATOM 410 HB3 LEU A 25 -5.558 5.149 -7.351 1.00 0.00 H ATOM 411 HG LEU A 25 -8.167 3.648 -6.902 1.00 0.00 H ATOM 412 HD21 LEU A 25 -5.459 2.866 -8.045 1.00 0.00 H ATOM 413 HD22 LEU A 25 -6.106 2.357 -6.466 1.00 0.00 H ATOM 414 HD23 LEU A 25 -6.894 1.814 -7.967 1.00 0.00 H ATOM 415 HD11 LEU A 25 -8.343 5.115 -8.832 1.00 0.00 H ATOM 416 HD12 LEU A 25 -6.827 4.454 -9.492 1.00 0.00 H ATOM 417 HD13 LEU A 25 -8.257 3.406 -9.324 1.00 0.00 H ATOM 418 H LEU A 25 -7.982 5.060 -4.449 1.00 0.00 H ATOM 419 N GLN A 26 -4.103 6.053 -5.056 1.00 7.64 N ATOM 420 CA GLN A 26 -3.414 7.292 -4.711 1.00 8.04 C ATOM 421 C GLN A 26 -3.180 8.110 -5.969 1.00 8.45 C ATOM 422 O GLN A 26 -2.803 7.574 -7.004 1.00 7.60 O ATOM 423 CB GLN A 26 -2.075 7.024 -4.010 1.00 6.31 C ATOM 424 CG GLN A 26 -1.330 8.320 -3.654 1.00 8.95 C ATOM 425 CD GLN A 26 -0.047 8.074 -2.886 1.00 10.91 C ATOM 426 OE1 GLN A 26 0.732 7.185 -3.223 1.00 10.67 O ATOM 427 NE2 GLN A 26 0.186 8.878 -1.859 1.00 6.42 N ATOM 428 HA GLN A 26 -4.046 7.846 -4.017 1.00 0.00 H ATOM 429 HB2 GLN A 26 -2.265 6.466 -3.093 1.00 0.00 H ATOM 430 HB3 GLN A 26 -1.446 6.429 -4.672 1.00 0.00 H ATOM 431 HG2 GLN A 26 -1.087 8.846 -4.577 1.00 0.00 H ATOM 432 HG3 GLN A 26 -1.986 8.942 -3.045 1.00 0.00 H ATOM 433 HE22 GLN A 26 -0.502 9.617 -1.610 1.00 0.00 H ATOM 434 HE21 GLN A 26 1.057 8.770 -1.301 1.00 0.00 H ATOM 435 H GLN A 26 -3.587 5.297 -5.549 1.00 0.00 H ATOM 436 N VAL A 27 -3.408 9.413 -5.875 1.00 7.52 N ATOM 437 CA VAL A 27 -3.078 10.313 -6.964 1.00 7.46 C ATOM 438 C VAL A 27 -1.571 10.538 -6.925 1.00 6.04 C ATOM 439 O VAL A 27 -1.028 10.929 -5.889 1.00 9.81 O ATOM 440 CB VAL A 27 -3.779 11.670 -6.795 1.00 9.08 C ATOM 441 CG1 VAL A 27 -3.313 12.639 -7.864 1.00 10.82 C ATOM 442 CG2 VAL A 27 -5.300 11.497 -6.828 1.00 9.39 C ATOM 443 HA VAL A 27 -3.403 9.876 -7.908 1.00 0.00 H ATOM 444 HB VAL A 27 -3.512 12.085 -5.823 1.00 0.00 H ATOM 445 HG11 VAL A 27 -2.236 12.781 -7.779 1.00 0.00 H ATOM 446 HG12 VAL A 27 -3.551 12.235 -8.848 1.00 0.00 H ATOM 447 HG13 VAL A 27 -3.818 13.595 -7.731 1.00 0.00 H ATOM 448 HG21 VAL A 27 -5.594 11.063 -7.783 1.00 0.00 H ATOM 449 HG22 VAL A 27 -5.607 10.836 -6.017 1.00 0.00 H ATOM 450 HG23 VAL A 27 -5.778 12.469 -6.707 1.00 0.00 H ATOM 451 H VAL A 27 -3.831 9.796 -5.006 1.00 0.00 H ATOM 452 N ILE A 28 -0.895 10.267 -8.036 1.00 7.59 N ATOM 453 CA ILE A 28 0.533 10.532 -8.128 1.00 6.59 C ATOM 454 C ILE A 28 0.729 11.880 -8.800 1.00 13.30 C ATOM 455 O ILE A 28 1.557 12.688 -8.374 1.00 12.06 O ATOM 456 CB ILE A 28 1.278 9.436 -8.934 1.00 10.68 C ATOM 457 CG1 ILE A 28 1.117 8.065 -8.266 1.00 8.68 C ATOM 458 CG2 ILE A 28 2.740 9.815 -9.121 1.00 13.07 C ATOM 459 CD1 ILE A 28 1.619 8.009 -6.844 1.00 13.02 C ATOM 460 HA ILE A 28 0.950 10.533 -7.121 1.00 0.00 H ATOM 461 HB ILE A 28 0.831 9.363 -9.925 1.00 0.00 H ATOM 462 HG12 ILE A 28 0.058 7.806 -8.266 1.00 0.00 H ATOM 463 HG13 ILE A 28 1.669 7.331 -8.853 1.00 0.00 H ATOM 464 HD11 ILE A 28 2.681 8.253 -6.825 1.00 0.00 H ATOM 465 HD12 ILE A 28 1.069 8.728 -6.237 1.00 0.00 H ATOM 466 HD13 ILE A 28 1.468 7.006 -6.446 1.00 0.00 H ATOM 467 HG21 ILE A 28 2.803 10.759 -9.663 1.00 0.00 H ATOM 468 HG22 ILE A 28 3.214 9.922 -8.145 1.00 0.00 H ATOM 469 HG23 ILE A 28 3.247 9.034 -9.689 1.00 0.00 H ATOM 470 H ILE A 28 -1.394 9.859 -8.852 1.00 0.00 H ATOM 471 N ASN A 29 -0.041 12.135 -9.854 1.00 10.21 N ATOM 472 CA ASN A 29 0.079 13.412 -10.538 1.00 10.74 C ATOM 473 C ASN A 29 -1.228 13.803 -11.196 1.00 11.60 C ATOM 474 O ASN A 29 -2.062 12.938 -11.480 1.00 11.30 O ATOM 475 CB ASN A 29 1.213 13.346 -11.581 1.00 15.08 C ATOM 476 CG ASN A 29 1.612 14.713 -12.095 1.00 23.66 C ATOM 477 OD1 ASN A 29 2.026 15.575 -11.324 1.00 24.15 O ATOM 478 ND2 ASN A 29 1.485 14.919 -13.403 1.00 25.11 N ATOM 479 HA ASN A 29 0.321 14.177 -9.800 1.00 0.00 H ATOM 480 HB2 ASN A 29 2.083 12.878 -11.121 1.00 0.00 H ATOM 481 HB3 ASN A 29 0.878 12.740 -12.423 1.00 0.00 H ATOM 482 HD22 ASN A 29 1.130 14.159 -14.017 1.00 0.00 H ATOM 483 HD21 ASN A 29 1.741 15.841 -13.812 1.00 0.00 H ATOM 484 H ASN A 29 -0.725 11.425 -10.187 1.00 0.00 H ATOM 485 N ILE A 30 -1.418 15.105 -11.408 1.00 9.26 N ATOM 486 CA ILE A 30 -2.575 15.610 -12.154 1.00 8.25 C ATOM 487 C ILE A 30 -2.082 16.691 -13.096 1.00 14.89 C ATOM 488 O ILE A 30 -1.281 17.538 -12.714 1.00 15.03 O ATOM 489 CB ILE A 30 -3.646 16.250 -11.233 1.00 9.05 C ATOM 490 CG1 ILE A 30 -3.997 15.330 -10.063 1.00 13.97 C ATOM 491 CG2 ILE A 30 -4.906 16.595 -12.039 1.00 12.40 C ATOM 492 CD1 ILE A 30 -5.073 15.894 -9.132 1.00 13.70 C ATOM 493 HA ILE A 30 -3.032 14.767 -12.673 1.00 0.00 H ATOM 494 HB ILE A 30 -3.228 17.168 -10.821 1.00 0.00 H ATOM 495 HG12 ILE A 30 -4.354 14.382 -10.466 1.00 0.00 H ATOM 496 HG13 ILE A 30 -3.093 15.157 -9.479 1.00 0.00 H ATOM 497 HD11 ILE A 30 -4.728 16.837 -8.709 1.00 0.00 H ATOM 498 HD12 ILE A 30 -5.990 16.062 -9.698 1.00 0.00 H ATOM 499 HD13 ILE A 30 -5.265 15.183 -8.328 1.00 0.00 H ATOM 500 HG21 ILE A 30 -4.649 17.300 -12.829 1.00 0.00 H ATOM 501 HG22 ILE A 30 -5.314 15.686 -12.481 1.00 0.00 H ATOM 502 HG23 ILE A 30 -5.647 17.043 -11.378 1.00 0.00 H ATOM 503 H ILE A 30 -0.725 15.783 -11.033 1.00 0.00 H ATOM 504 N ARG A 31 -2.543 16.662 -14.333 1.00 11.64 N ATOM 505 CA ARG A 31 -2.115 17.672 -15.287 1.00 13.53 C ATOM 506 C ARG A 31 -3.313 18.023 -16.152 1.00 15.36 C ATOM 507 O ARG A 31 -4.136 17.157 -16.468 1.00 15.83 O ATOM 508 CB ARG A 31 -0.954 17.138 -16.137 1.00 18.39 C ATOM 509 CG ARG A 31 -1.392 16.478 -17.441 1.00 30.22 C ATOM 510 CD ARG A 31 -0.824 15.076 -17.639 1.00 29.95 C ATOM 511 NE ARG A 31 0.362 15.074 -18.492 1.00 30.90 N ATOM 512 CZ ARG A 31 0.334 15.038 -19.823 1.00 38.65 C ATOM 513 NH1 ARG A 31 1.469 15.044 -20.506 1.00 57.55 N ATOM 514 NH2 ARG A 31 -0.821 15.003 -20.476 1.00 46.53 N ATOM 515 HA ARG A 31 -1.756 18.564 -14.774 1.00 0.00 H ATOM 516 HB2 ARG A 31 -0.294 17.971 -16.379 1.00 0.00 H ATOM 517 HB3 ARG A 31 -0.407 16.403 -15.547 1.00 0.00 H ATOM 518 HG2 ARG A 31 -2.480 16.413 -17.446 1.00 0.00 H ATOM 519 HG3 ARG A 31 -1.063 17.103 -18.271 1.00 0.00 H ATOM 520 HD2 ARG A 31 -1.588 14.450 -18.099 1.00 0.00 H ATOM 521 HD3 ARG A 31 -0.557 14.665 -16.665 1.00 0.00 H ATOM 522 HE ARG A 31 1.292 15.103 -18.028 1.00 0.00 H ATOM 523 HH12 ARG A 31 1.451 15.016 -21.545 1.00 0.00 H ATOM 524 HH11 ARG A 31 2.379 15.077 -20.003 1.00 0.00 H ATOM 525 HH22 ARG A 31 -0.830 14.975 -21.516 1.00 0.00 H ATOM 526 HH21 ARG A 31 -1.717 15.003 -19.948 1.00 0.00 H ATOM 527 H ARG A 31 -3.210 15.919 -14.624 1.00 0.00 H ATOM 528 N PRO A 32 -3.443 19.307 -16.506 1.00 17.05 N ATOM 529 CA PRO A 32 -4.471 19.682 -17.471 1.00 15.56 C ATOM 530 C PRO A 32 -4.063 19.133 -18.823 1.00 22.57 C ATOM 531 O PRO A 32 -2.867 18.968 -19.082 1.00 19.10 O ATOM 532 CB PRO A 32 -4.383 21.216 -17.516 1.00 19.08 C ATOM 533 CG PRO A 32 -3.466 21.618 -16.427 1.00 15.61 C ATOM 534 CD PRO A 32 -2.612 20.450 -16.096 1.00 17.40 C ATOM 535 HA PRO A 32 -5.467 19.316 -17.220 1.00 0.00 H ATOM 536 HD3 PRO A 32 -1.677 20.476 -16.656 1.00 0.00 H ATOM 537 HD2 PRO A 32 -2.394 20.414 -15.029 1.00 0.00 H ATOM 538 HG3 PRO A 32 -4.040 21.918 -15.550 1.00 0.00 H ATOM 539 HG2 PRO A 32 -2.844 22.451 -16.755 1.00 0.00 H ATOM 540 HB2 PRO A 32 -3.990 21.543 -18.479 1.00 0.00 H ATOM 541 HB3 PRO A 32 -5.369 21.654 -17.360 1.00 0.00 H ATOM 542 N ILE A 33 -5.034 18.830 -19.671 1.00 16.12 N ATOM 543 CA ILE A 33 -4.713 18.502 -21.053 1.00 23.83 C ATOM 544 C ILE A 33 -5.229 19.635 -21.925 1.00 29.84 C ATOM 545 O ILE A 33 -6.154 20.356 -21.539 1.00 28.91 O ATOM 546 CB ILE A 33 -5.341 17.179 -21.503 1.00 27.11 C ATOM 547 CG1 ILE A 33 -6.861 17.276 -21.456 1.00 25.06 C ATOM 548 CG2 ILE A 33 -4.848 16.030 -20.645 1.00 29.14 C ATOM 549 CD1 ILE A 33 -7.546 15.976 -21.752 1.00 45.59 C ATOM 550 HA ILE A 33 -3.633 18.383 -21.144 1.00 0.00 H ATOM 551 HB ILE A 33 -5.038 16.983 -22.532 1.00 0.00 H ATOM 552 HG12 ILE A 33 -7.157 17.605 -20.460 1.00 0.00 H ATOM 553 HG13 ILE A 33 -7.184 18.013 -22.191 1.00 0.00 H ATOM 554 HD11 ILE A 33 -7.268 15.639 -22.751 1.00 0.00 H ATOM 555 HD12 ILE A 33 -7.241 15.230 -21.018 1.00 0.00 H ATOM 556 HD13 ILE A 33 -8.626 16.116 -21.702 1.00 0.00 H ATOM 557 HG21 ILE A 33 -3.764 15.953 -20.731 1.00 0.00 H ATOM 558 HG22 ILE A 33 -5.119 16.213 -19.605 1.00 0.00 H ATOM 559 HG23 ILE A 33 -5.308 15.102 -20.984 1.00 0.00 H ATOM 560 H ILE A 33 -6.023 18.826 -19.351 1.00 0.00 H ATOM 561 N THR A 34 -4.629 19.802 -23.097 1.00 24.91 N ATOM 562 CA THR A 34 -5.008 20.906 -23.968 1.00 33.55 C ATOM 563 C THR A 34 -6.382 20.673 -24.598 1.00 41.31 C ATOM 564 O THR A 34 -6.598 19.694 -25.318 1.00 40.70 O ATOM 565 CB THR A 34 -3.943 21.146 -25.037 1.00 33.46 C ATOM 566 OG1 THR A 34 -3.829 19.985 -25.871 1.00 37.09 O ATOM 567 CG2 THR A 34 -2.613 21.393 -24.365 1.00 18.50 C ATOM 568 HA THR A 34 -5.078 21.805 -23.355 1.00 0.00 H ATOM 569 HB THR A 34 -4.225 22.008 -25.641 1.00 0.00 H ATOM 570 HG1 THR A 34 -4.700 19.807 -26.307 1.00 0.00 H ATOM 571 HG23 THR A 34 -2.687 22.274 -23.728 1.00 0.00 H ATOM 572 HG21 THR A 34 -2.347 20.527 -23.760 1.00 0.00 H ATOM 573 HG22 THR A 34 -1.848 21.556 -25.124 1.00 0.00 H ATOM 574 H THR A 34 -3.884 19.141 -23.395 1.00 0.00 H ATOM 575 N THR A 35 -7.312 21.575 -24.308 1.00 32.07 N ATOM 576 CA THR A 35 -8.679 21.437 -24.788 1.00 46.12 C ATOM 577 C THR A 35 -9.093 22.628 -25.636 1.00 50.09 C ATOM 578 O THR A 35 -9.657 22.456 -26.714 1.00 58.57 O ATOM 579 CB THR A 35 -9.666 21.266 -23.624 1.00 43.72 C ATOM 580 OG1 THR A 35 -9.399 22.255 -22.620 1.00 52.83 O ATOM 581 CG2 THR A 35 -9.516 19.883 -23.018 1.00 43.88 C ATOM 582 HA THR A 35 -8.707 20.540 -25.407 1.00 0.00 H ATOM 583 HB THR A 35 -10.683 21.387 -23.998 1.00 0.00 H ATOM 584 HG1 THR A 35 -10.036 22.143 -21.871 1.00 0.00 H ATOM 585 HG23 THR A 35 -9.719 19.130 -23.780 1.00 0.00 H ATOM 586 HG21 THR A 35 -8.499 19.760 -22.645 1.00 0.00 H ATOM 587 HG22 THR A 35 -10.223 19.769 -22.196 1.00 0.00 H ATOM 588 H THR A 35 -7.058 22.398 -23.725 1.00 0.00 H ATOM 589 N GLY A 36 -8.815 23.833 -25.144 1.00 50.32 N ATOM 590 CA GLY A 36 -9.096 25.049 -25.888 1.00 46.95 C ATOM 591 C GLY A 36 -10.570 25.347 -26.103 1.00 46.00 C ATOM 592 O GLY A 36 -11.230 24.689 -26.903 1.00 44.45 O ATOM 593 HA3 GLY A 36 -8.622 24.964 -26.866 1.00 0.00 H ATOM 594 HA2 GLY A 36 -8.658 25.886 -25.345 1.00 0.00 H ATOM 595 H GLY A 36 -8.384 23.906 -24.200 1.00 0.00 H ATOM 596 N ASN A 37 -11.073 26.343 -25.375 1.00 50.89 N ATOM 597 CA ASN A 37 -12.450 26.838 -25.488 1.00 45.38 C ATOM 598 C ASN A 37 -13.497 25.930 -24.846 1.00 47.23 C ATOM 599 O ASN A 37 -14.587 26.380 -24.490 1.00 50.96 O ATOM 600 CB ASN A 37 -12.810 27.193 -26.935 1.00 48.68 C ATOM 601 CG ASN A 37 -11.782 28.109 -27.577 1.00 36.88 C ATOM 602 OD1 ASN A 37 -11.003 28.771 -26.887 1.00 33.72 O ATOM 603 ND2 ASN A 37 -11.770 28.147 -28.902 1.00 34.35 N ATOM 604 HA ASN A 37 -12.473 27.757 -24.902 1.00 0.00 H ATOM 605 HB2 ASN A 37 -12.872 26.273 -27.517 1.00 0.00 H ATOM 606 HB3 ASN A 37 -13.779 27.693 -26.943 1.00 0.00 H ATOM 607 HD22 ASN A 37 -12.445 27.572 -29.445 1.00 0.00 H ATOM 608 HD21 ASN A 37 -11.085 28.752 -29.399 1.00 0.00 H ATOM 609 H ASN A 37 -10.448 26.800 -24.680 1.00 0.00 H ATOM 610 N SER A 38 -13.158 24.655 -24.699 1.00 53.68 N ATOM 611 CA SER A 38 -13.933 23.745 -23.870 1.00 48.76 C ATOM 612 C SER A 38 -13.385 23.907 -22.462 1.00 40.36 C ATOM 613 O SER A 38 -12.257 24.381 -22.294 1.00 46.65 O ATOM 614 CB SER A 38 -13.733 22.302 -24.335 1.00 51.34 C ATOM 615 OG SER A 38 -14.061 22.159 -25.707 1.00 62.42 O ATOM 616 HA SER A 38 -14.999 23.965 -23.925 1.00 0.00 H ATOM 617 HB2 SER A 38 -14.373 21.645 -23.745 1.00 0.00 H ATOM 618 HB3 SER A 38 -12.690 22.021 -24.186 1.00 0.00 H ATOM 619 HG SER A 38 -13.923 21.218 -25.982 1.00 0.00 H ATOM 620 H SER A 38 -12.314 24.297 -25.190 1.00 0.00 H ATOM 621 N PRO A 39 -14.179 23.541 -21.441 1.00 34.90 N ATOM 622 CA PRO A 39 -13.661 23.568 -20.068 1.00 38.68 C ATOM 623 C PRO A 39 -12.425 22.686 -19.941 1.00 29.72 C ATOM 624 O PRO A 39 -12.303 21.715 -20.697 1.00 28.54 O ATOM 625 CB PRO A 39 -14.820 22.985 -19.237 1.00 38.72 C ATOM 626 CG PRO A 39 -15.757 22.354 -20.230 1.00 36.95 C ATOM 627 CD PRO A 39 -15.598 23.153 -21.484 1.00 38.52 C ATOM 628 HA PRO A 39 -13.360 24.566 -19.748 1.00 0.00 H ATOM 629 HD3 PRO A 39 -15.815 22.549 -22.365 1.00 0.00 H ATOM 630 HD2 PRO A 39 -16.246 24.029 -21.477 1.00 0.00 H ATOM 631 HG3 PRO A 39 -16.785 22.406 -19.872 1.00 0.00 H ATOM 632 HG2 PRO A 39 -15.486 21.313 -20.403 1.00 0.00 H ATOM 633 HB2 PRO A 39 -14.447 22.237 -18.537 1.00 0.00 H ATOM 634 HB3 PRO A 39 -15.327 23.776 -18.685 1.00 0.00 H ATOM 635 N PRO A 40 -11.523 23.009 -18.999 1.00 28.32 N ATOM 636 CA PRO A 40 -10.310 22.203 -18.872 1.00 26.45 C ATOM 637 C PRO A 40 -10.652 20.762 -18.565 1.00 19.63 C ATOM 638 O PRO A 40 -11.698 20.483 -17.974 1.00 23.49 O ATOM 639 CB PRO A 40 -9.583 22.838 -17.681 1.00 26.29 C ATOM 640 CG PRO A 40 -10.632 23.572 -16.939 1.00 27.87 C ATOM 641 CD PRO A 40 -11.590 24.062 -17.971 1.00 21.38 C ATOM 642 HA PRO A 40 -9.715 22.190 -19.785 1.00 0.00 H ATOM 643 HD3 PRO A 40 -12.597 24.150 -17.563 1.00 0.00 H ATOM 644 HD2 PRO A 40 -11.277 25.025 -18.373 1.00 0.00 H ATOM 645 HG3 PRO A 40 -10.197 24.411 -16.395 1.00 0.00 H ATOM 646 HG2 PRO A 40 -11.136 22.908 -16.237 1.00 0.00 H ATOM 647 HB2 PRO A 40 -9.135 22.069 -17.051 1.00 0.00 H ATOM 648 HB3 PRO A 40 -8.807 23.522 -18.026 1.00 0.00 H ATOM 649 N ARG A 41 -9.796 19.854 -19.014 1.00 16.95 N ATOM 650 CA ARG A 41 -9.893 18.464 -18.634 1.00 17.47 C ATOM 651 C ARG A 41 -8.616 18.073 -17.912 1.00 17.80 C ATOM 652 O ARG A 41 -7.522 18.515 -18.279 1.00 17.66 O ATOM 653 CB ARG A 41 -10.107 17.589 -19.864 1.00 32.82 C ATOM 654 CG ARG A 41 -11.347 17.957 -20.674 1.00 38.38 C ATOM 655 CD ARG A 41 -11.971 16.704 -21.247 1.00 37.45 C ATOM 656 NE ARG A 41 -12.376 15.814 -20.166 1.00 36.82 N ATOM 657 CZ ARG A 41 -13.630 15.453 -19.937 1.00 33.01 C ATOM 658 NH1 ARG A 41 -14.593 15.886 -20.743 1.00 26.88 N ATOM 659 NH2 ARG A 41 -13.917 14.646 -18.920 1.00 24.53 N ATOM 660 HA ARG A 41 -10.747 18.318 -17.973 1.00 0.00 H ATOM 661 HB2 ARG A 41 -9.234 17.684 -20.510 1.00 0.00 H ATOM 662 HB3 ARG A 41 -10.205 16.554 -19.537 1.00 0.00 H ATOM 663 HG2 ARG A 41 -12.067 18.458 -20.027 1.00 0.00 H ATOM 664 HG3 ARG A 41 -11.064 18.626 -21.487 1.00 0.00 H ATOM 665 HD2 ARG A 41 -11.245 16.196 -21.882 1.00 0.00 H ATOM 666 HD3 ARG A 41 -12.845 16.974 -21.840 1.00 0.00 H ATOM 667 HE ARG A 41 -11.637 15.440 -19.537 1.00 0.00 H ATOM 668 HH12 ARG A 41 -15.580 15.607 -20.570 1.00 0.00 H ATOM 669 HH11 ARG A 41 -14.360 16.504 -21.547 1.00 0.00 H ATOM 670 HH22 ARG A 41 -14.902 14.364 -18.742 1.00 0.00 H ATOM 671 HH21 ARG A 41 -13.156 14.297 -18.303 1.00 0.00 H ATOM 672 H ARG A 41 -9.034 20.151 -19.657 1.00 0.00 H ATOM 673 N TYR A 42 -8.757 17.262 -16.870 1.00 14.68 N ATOM 674 CA TYR A 42 -7.601 16.844 -16.090 1.00 11.01 C ATOM 675 C TYR A 42 -7.294 15.370 -16.301 1.00 12.66 C ATOM 676 O TYR A 42 -8.182 14.518 -16.201 1.00 13.22 O ATOM 677 CB TYR A 42 -7.801 17.133 -14.601 1.00 12.70 C ATOM 678 CG TYR A 42 -7.962 18.601 -14.328 1.00 13.33 C ATOM 679 CD1 TYR A 42 -6.859 19.446 -14.302 1.00 16.85 C ATOM 680 CD2 TYR A 42 -9.217 19.153 -14.137 1.00 12.67 C ATOM 681 CE1 TYR A 42 -7.005 20.801 -14.072 1.00 13.88 C ATOM 682 CE2 TYR A 42 -9.374 20.509 -13.910 1.00 13.71 C ATOM 683 CZ TYR A 42 -8.265 21.321 -13.876 1.00 15.95 C ATOM 684 OH TYR A 42 -8.423 22.662 -13.640 1.00 14.93 O ATOM 685 HA TYR A 42 -6.749 17.426 -16.442 1.00 0.00 H ATOM 686 HB3 TYR A 42 -6.934 16.766 -14.052 1.00 0.00 H ATOM 687 HB2 TYR A 42 -8.694 16.611 -14.258 1.00 0.00 H ATOM 688 HD2 TYR A 42 -10.096 18.509 -14.166 1.00 0.00 H ATOM 689 HE2 TYR A 42 -10.368 20.930 -13.759 1.00 0.00 H ATOM 690 HE1 TYR A 42 -6.131 21.452 -14.046 1.00 0.00 H ATOM 691 HD1 TYR A 42 -5.863 19.034 -14.466 1.00 0.00 H ATOM 692 HH TYR A 42 -8.851 22.792 -12.757 1.00 0.00 H ATOM 693 H TYR A 42 -9.704 16.922 -16.608 1.00 0.00 H ATOM 694 N ARG A 43 -6.029 15.093 -16.603 1.00 10.54 N ATOM 695 CA ARG A 43 -5.512 13.728 -16.707 1.00 14.50 C ATOM 696 C ARG A 43 -4.815 13.354 -15.393 1.00 12.32 C ATOM 697 O ARG A 43 -4.097 14.172 -14.821 1.00 13.90 O ATOM 698 CB ARG A 43 -4.517 13.665 -17.860 1.00 19.60 C ATOM 699 CG ARG A 43 -3.891 12.315 -18.092 1.00 22.75 C ATOM 700 CD ARG A 43 -3.042 12.334 -19.356 1.00 23.42 C ATOM 701 NE ARG A 43 -2.457 11.027 -19.619 1.00 24.25 N ATOM 702 CZ ARG A 43 -1.861 10.691 -20.754 1.00 37.08 C ATOM 703 NH1 ARG A 43 -1.774 11.571 -21.741 1.00 40.20 N ATOM 704 NH2 ARG A 43 -1.358 9.473 -20.902 1.00 34.40 N ATOM 705 HA ARG A 43 -6.327 13.028 -16.892 1.00 0.00 H ATOM 706 HB2 ARG A 43 -5.038 13.957 -18.772 1.00 0.00 H ATOM 707 HB3 ARG A 43 -3.718 14.377 -17.656 1.00 0.00 H ATOM 708 HG2 ARG A 43 -3.261 12.059 -17.240 1.00 0.00 H ATOM 709 HG3 ARG A 43 -4.677 11.568 -18.198 1.00 0.00 H ATOM 710 HD2 ARG A 43 -2.242 13.064 -19.236 1.00 0.00 H ATOM 711 HD3 ARG A 43 -3.669 12.620 -20.201 1.00 0.00 H ATOM 712 HE ARG A 43 -2.510 10.310 -18.867 1.00 0.00 H ATOM 713 HH12 ARG A 43 -1.307 11.308 -22.632 1.00 0.00 H ATOM 714 HH11 ARG A 43 -2.173 12.524 -21.624 1.00 0.00 H ATOM 715 HH22 ARG A 43 -0.890 9.208 -21.792 1.00 0.00 H ATOM 716 HH21 ARG A 43 -1.431 8.782 -20.128 1.00 0.00 H ATOM 717 H ARG A 43 -5.376 15.884 -16.773 1.00 0.00 H ATOM 718 N LEU A 44 -5.051 12.141 -14.889 1.00 10.64 N ATOM 719 CA LEU A 44 -4.439 11.732 -13.628 1.00 6.83 C ATOM 720 C LEU A 44 -3.524 10.528 -13.787 1.00 11.72 C ATOM 721 O LEU A 44 -3.857 9.556 -14.458 1.00 8.95 O ATOM 722 CB LEU A 44 -5.483 11.435 -12.530 1.00 8.78 C ATOM 723 CG LEU A 44 -6.253 12.631 -11.945 1.00 9.19 C ATOM 724 CD1 LEU A 44 -7.398 12.992 -12.856 1.00 15.16 C ATOM 725 CD2 LEU A 44 -6.746 12.375 -10.526 1.00 10.81 C ATOM 726 HA LEU A 44 -3.840 12.587 -13.316 1.00 0.00 H ATOM 727 HB2 LEU A 44 -6.217 10.748 -12.953 1.00 0.00 H ATOM 728 HB3 LEU A 44 -4.962 10.946 -11.707 1.00 0.00 H ATOM 729 HG LEU A 44 -5.560 13.470 -11.881 1.00 0.00 H ATOM 730 HD21 LEU A 44 -7.414 11.514 -10.525 1.00 0.00 H ATOM 731 HD22 LEU A 44 -5.893 12.176 -9.877 1.00 0.00 H ATOM 732 HD23 LEU A 44 -7.282 13.253 -10.165 1.00 0.00 H ATOM 733 HD11 LEU A 44 -7.009 13.258 -13.839 1.00 0.00 H ATOM 734 HD12 LEU A 44 -8.070 12.139 -12.948 1.00 0.00 H ATOM 735 HD13 LEU A 44 -7.940 13.840 -12.437 1.00 0.00 H ATOM 736 H LEU A 44 -5.675 11.483 -15.398 1.00 0.00 H ATOM 737 N LEU A 45 -2.367 10.603 -13.149 1.00 8.01 N ATOM 738 CA LEU A 45 -1.528 9.432 -12.990 1.00 11.52 C ATOM 739 C LEU A 45 -1.875 8.875 -11.614 1.00 13.89 C ATOM 740 O LEU A 45 -1.677 9.556 -10.613 1.00 11.63 O ATOM 741 CB LEU A 45 -0.061 9.842 -13.035 1.00 10.78 C ATOM 742 CG LEU A 45 0.933 8.711 -12.767 1.00 11.93 C ATOM 743 CD1 LEU A 45 0.866 7.637 -13.850 1.00 13.89 C ATOM 744 CD2 LEU A 45 2.339 9.295 -12.660 1.00 15.79 C ATOM 745 HA LEU A 45 -1.689 8.697 -13.778 1.00 0.00 H ATOM 746 HB2 LEU A 45 0.147 10.248 -14.025 1.00 0.00 H ATOM 747 HB3 LEU A 45 0.097 10.617 -12.285 1.00 0.00 H ATOM 748 HG LEU A 45 0.670 8.227 -11.826 1.00 0.00 H ATOM 749 HD21 LEU A 45 2.595 9.795 -13.594 1.00 0.00 H ATOM 750 HD22 LEU A 45 2.371 10.013 -11.841 1.00 0.00 H ATOM 751 HD23 LEU A 45 3.051 8.492 -12.469 1.00 0.00 H ATOM 752 HD11 LEU A 45 -0.138 7.214 -13.879 1.00 0.00 H ATOM 753 HD12 LEU A 45 1.102 8.082 -14.817 1.00 0.00 H ATOM 754 HD13 LEU A 45 1.586 6.851 -13.625 1.00 0.00 H ATOM 755 H LEU A 45 -2.056 11.514 -12.756 1.00 0.00 H ATOM 756 N MET A 46 -2.418 7.661 -11.559 1.00 9.50 N ATOM 757 CA MET A 46 -2.827 7.106 -10.273 1.00 8.21 C ATOM 758 C MET A 46 -2.183 5.773 -9.973 1.00 10.00 C ATOM 759 O MET A 46 -1.700 5.085 -10.871 1.00 10.51 O ATOM 760 CB MET A 46 -4.342 6.986 -10.206 1.00 9.68 C ATOM 761 CG MET A 46 -5.034 8.299 -10.476 1.00 12.14 C ATOM 762 SD MET A 46 -6.807 8.115 -10.369 1.00 11.06 S ATOM 763 CE MET A 46 -7.027 8.219 -8.607 1.00 10.46 C ATOM 764 HA MET A 46 -2.481 7.801 -9.508 1.00 0.00 H ATOM 765 HB2 MET A 46 -4.669 6.258 -10.948 1.00 0.00 H ATOM 766 HB3 MET A 46 -4.623 6.640 -9.211 1.00 0.00 H ATOM 767 HG2 MET A 46 -4.770 8.644 -11.476 1.00 0.00 H ATOM 768 HG3 MET A 46 -4.706 9.034 -9.741 1.00 0.00 H ATOM 769 HE1 MET A 46 -6.469 7.416 -8.124 1.00 0.00 H ATOM 770 HE2 MET A 46 -6.660 9.182 -8.253 1.00 0.00 H ATOM 771 HE3 MET A 46 -8.086 8.122 -8.368 1.00 0.00 H ATOM 772 H MET A 46 -2.550 7.109 -12.431 1.00 0.00 H ATOM 773 N SER A 47 -2.166 5.426 -8.685 1.00 4.92 N ATOM 774 CA SER A 47 -1.470 4.239 -8.217 1.00 7.91 C ATOM 775 C SER A 47 -2.389 3.367 -7.387 1.00 9.88 C ATOM 776 O SER A 47 -3.164 3.869 -6.566 1.00 10.20 O ATOM 777 CB SER A 47 -0.266 4.656 -7.353 1.00 8.50 C ATOM 778 OG SER A 47 0.211 3.589 -6.522 1.00 10.93 O ATOM 779 HA SER A 47 -1.135 3.674 -9.087 1.00 0.00 H ATOM 780 HB2 SER A 47 -0.564 5.489 -6.716 1.00 0.00 H ATOM 781 HB3 SER A 47 0.543 4.975 -8.011 1.00 0.00 H ATOM 782 HG SER A 47 0.982 3.907 -5.989 1.00 0.00 H ATOM 783 H SER A 47 -2.666 6.023 -7.995 1.00 0.00 H ATOM 784 N ASP A 48 -2.307 2.057 -7.576 1.00 9.89 N ATOM 785 CA ASP A 48 -3.026 1.160 -6.676 1.00 10.04 C ATOM 786 C ASP A 48 -2.080 0.497 -5.667 1.00 11.36 C ATOM 787 O ASP A 48 -2.449 -0.462 -4.998 1.00 12.81 O ATOM 788 CB ASP A 48 -3.858 0.119 -7.439 1.00 9.65 C ATOM 789 CG ASP A 48 -3.013 -0.886 -8.209 1.00 15.58 C ATOM 790 OD1 ASP A 48 -1.761 -0.813 -8.156 1.00 12.79 O ATOM 791 OD2 ASP A 48 -3.623 -1.776 -8.865 1.00 14.81 O ATOM 792 HA ASP A 48 -3.728 1.774 -6.112 1.00 0.00 H ATOM 793 HB2 ASP A 48 -4.473 -0.424 -6.722 1.00 0.00 H ATOM 794 HB3 ASP A 48 -4.502 0.642 -8.146 1.00 0.00 H ATOM 795 H ASP A 48 -1.737 1.673 -8.356 1.00 0.00 H ATOM 796 N GLY A 49 -0.862 1.017 -5.563 1.00 13.31 N ATOM 797 CA GLY A 49 0.152 0.381 -4.739 1.00 15.22 C ATOM 798 C GLY A 49 1.062 -0.594 -5.481 1.00 16.41 C ATOM 799 O GLY A 49 2.211 -0.787 -5.093 1.00 21.73 O ATOM 800 HA3 GLY A 49 -0.352 -0.165 -3.942 1.00 0.00 H ATOM 801 HA2 GLY A 49 0.775 1.163 -4.304 1.00 0.00 H ATOM 802 H GLY A 49 -0.631 1.891 -6.078 1.00 0.00 H ATOM 803 N LEU A 50 0.562 -1.206 -6.549 1.00 10.79 N ATOM 804 CA LEU A 50 1.354 -2.168 -7.335 1.00 12.85 C ATOM 805 C LEU A 50 1.751 -1.558 -8.660 1.00 16.30 C ATOM 806 O LEU A 50 2.906 -1.637 -9.090 1.00 14.55 O ATOM 807 CB LEU A 50 0.528 -3.416 -7.657 1.00 21.74 C ATOM 808 CG LEU A 50 0.432 -4.599 -6.706 1.00 30.19 C ATOM 809 CD1 LEU A 50 -0.361 -5.703 -7.401 1.00 17.17 C ATOM 810 CD2 LEU A 50 1.816 -5.077 -6.300 1.00 27.48 C ATOM 811 HA LEU A 50 2.230 -2.427 -6.740 1.00 0.00 H ATOM 812 HB2 LEU A 50 -0.494 -3.071 -7.816 1.00 0.00 H ATOM 813 HB3 LEU A 50 0.926 -3.810 -8.592 1.00 0.00 H ATOM 814 HG LEU A 50 -0.080 -4.306 -5.789 1.00 0.00 H ATOM 815 HD21 LEU A 50 2.368 -5.383 -7.188 1.00 0.00 H ATOM 816 HD22 LEU A 50 2.347 -4.266 -5.801 1.00 0.00 H ATOM 817 HD23 LEU A 50 1.722 -5.924 -5.620 1.00 0.00 H ATOM 818 HD11 LEU A 50 -1.357 -5.334 -7.645 1.00 0.00 H ATOM 819 HD12 LEU A 50 0.153 -5.997 -8.316 1.00 0.00 H ATOM 820 HD13 LEU A 50 -0.443 -6.563 -6.737 1.00 0.00 H ATOM 821 H LEU A 50 -0.416 -1.000 -6.838 1.00 0.00 H ATOM 822 N ASN A 51 0.755 -0.976 -9.324 1.00 11.98 N ATOM 823 CA ASN A 51 0.947 -0.320 -10.601 1.00 8.31 C ATOM 824 C ASN A 51 0.563 1.151 -10.538 1.00 12.00 C ATOM 825 O ASN A 51 -0.229 1.557 -9.687 1.00 10.82 O ATOM 826 CB ASN A 51 0.080 -0.971 -11.686 1.00 12.06 C ATOM 827 CG ASN A 51 0.512 -2.392 -12.025 1.00 16.22 C ATOM 828 OD1 ASN A 51 -0.169 -3.363 -11.676 1.00 17.60 O ATOM 829 ND2 ASN A 51 1.623 -2.518 -12.739 1.00 16.64 N ATOM 830 HA ASN A 51 2.006 -0.420 -10.841 1.00 0.00 H ATOM 831 HB2 ASN A 51 -0.952 -0.996 -11.337 1.00 0.00 H ATOM 832 HB3 ASN A 51 0.142 -0.365 -12.590 1.00 0.00 H ATOM 833 HD22 ASN A 51 2.165 -1.673 -13.011 1.00 0.00 H ATOM 834 HD21 ASN A 51 1.952 -3.462 -13.027 1.00 0.00 H ATOM 835 H ASN A 51 -0.199 -0.993 -8.910 1.00 0.00 H ATOM 836 N THR A 52 1.136 1.933 -11.448 1.00 8.44 N ATOM 837 CA THR A 52 0.565 3.217 -11.834 1.00 9.93 C ATOM 838 C THR A 52 -0.100 3.088 -13.203 1.00 14.25 C ATOM 839 O THR A 52 0.194 2.161 -13.970 1.00 13.61 O ATOM 840 CB THR A 52 1.612 4.362 -11.850 1.00 11.42 C ATOM 841 OG1 THR A 52 2.628 4.096 -12.827 1.00 12.14 O ATOM 842 CG2 THR A 52 2.258 4.516 -10.470 1.00 12.08 C ATOM 843 HA THR A 52 -0.176 3.484 -11.081 1.00 0.00 H ATOM 844 HB THR A 52 1.099 5.288 -12.109 1.00 0.00 H ATOM 845 HG1 THR A 52 3.287 4.834 -12.825 1.00 0.00 H ATOM 846 HG23 THR A 52 1.485 4.718 -9.729 1.00 0.00 H ATOM 847 HG21 THR A 52 2.781 3.595 -10.210 1.00 0.00 H ATOM 848 HG22 THR A 52 2.967 5.344 -10.492 1.00 0.00 H ATOM 849 H THR A 52 2.019 1.619 -11.898 1.00 0.00 H ATOM 850 N LEU A 53 -1.000 4.019 -13.501 1.00 9.66 N ATOM 851 CA LEU A 53 -1.670 4.071 -14.787 1.00 11.68 C ATOM 852 C LEU A 53 -1.910 5.541 -15.077 1.00 14.75 C ATOM 853 O LEU A 53 -2.420 6.267 -14.220 1.00 10.55 O ATOM 854 CB LEU A 53 -3.001 3.311 -14.724 1.00 12.86 C ATOM 855 CG LEU A 53 -3.796 3.165 -16.025 1.00 16.68 C ATOM 856 CD1 LEU A 53 -3.024 2.350 -17.049 1.00 24.87 C ATOM 857 CD2 LEU A 53 -5.150 2.542 -15.747 1.00 15.03 C ATOM 858 HA LEU A 53 -1.070 3.606 -15.570 1.00 0.00 H ATOM 859 HB2 LEU A 53 -2.787 2.307 -14.358 1.00 0.00 H ATOM 860 HB3 LEU A 53 -3.639 3.829 -14.008 1.00 0.00 H ATOM 861 HG LEU A 53 -3.952 4.159 -16.444 1.00 0.00 H ATOM 862 HD21 LEU A 53 -5.011 1.557 -15.302 1.00 0.00 H ATOM 863 HD22 LEU A 53 -5.707 3.178 -15.059 1.00 0.00 H ATOM 864 HD23 LEU A 53 -5.703 2.445 -16.681 1.00 0.00 H ATOM 865 HD11 LEU A 53 -2.080 2.848 -17.271 1.00 0.00 H ATOM 866 HD12 LEU A 53 -2.827 1.356 -16.647 1.00 0.00 H ATOM 867 HD13 LEU A 53 -3.613 2.263 -17.962 1.00 0.00 H ATOM 868 H LEU A 53 -1.233 4.737 -12.786 1.00 0.00 H ATOM 869 N SER A 54 -1.536 5.994 -16.268 1.00 9.69 N ATOM 870 CA SER A 54 -1.625 7.419 -16.558 1.00 14.64 C ATOM 871 C SER A 54 -2.873 7.778 -17.366 1.00 16.65 C ATOM 872 O SER A 54 -3.076 8.939 -17.719 1.00 21.24 O ATOM 873 CB SER A 54 -0.387 7.874 -17.327 1.00 18.46 C ATOM 874 OG SER A 54 -0.350 7.239 -18.592 1.00 22.96 O ATOM 875 HA SER A 54 -1.689 7.932 -15.598 1.00 0.00 H ATOM 876 HB2 SER A 54 0.508 7.610 -16.763 1.00 0.00 H ATOM 877 HB3 SER A 54 -0.423 8.955 -17.465 1.00 0.00 H ATOM 878 HG SER A 54 -0.316 6.258 -18.466 1.00 0.00 H ATOM 879 H SER A 54 -1.181 5.335 -16.990 1.00 0.00 H ATOM 880 N SER A 55 -3.726 6.803 -17.640 1.00 12.39 N ATOM 881 CA SER A 55 -4.856 7.003 -18.545 1.00 17.30 C ATOM 882 C SER A 55 -6.178 7.351 -17.856 1.00 15.77 C ATOM 883 O SER A 55 -7.249 7.098 -18.404 1.00 15.71 O ATOM 884 CB SER A 55 -5.046 5.769 -19.433 1.00 21.33 C ATOM 885 OG SER A 55 -5.309 4.616 -18.653 1.00 21.17 O ATOM 886 HA SER A 55 -4.594 7.876 -19.143 1.00 0.00 H ATOM 887 HB2 SER A 55 -4.139 5.606 -20.016 1.00 0.00 H ATOM 888 HB3 SER A 55 -5.884 5.941 -20.108 1.00 0.00 H ATOM 889 HG SER A 55 -5.427 3.835 -19.250 1.00 0.00 H ATOM 890 H SER A 55 -3.588 5.871 -17.200 1.00 0.00 H ATOM 891 N PHE A 56 -6.109 7.926 -16.665 1.00 16.24 N ATOM 892 CA PHE A 56 -7.317 8.362 -15.973 1.00 14.08 C ATOM 893 C PHE A 56 -7.657 9.790 -16.389 1.00 15.50 C ATOM 894 O PHE A 56 -6.752 10.626 -16.543 1.00 12.55 O ATOM 895 CB PHE A 56 -7.103 8.335 -14.465 1.00 13.93 C ATOM 896 CG PHE A 56 -6.990 6.956 -13.882 1.00 12.08 C ATOM 897 CD1 PHE A 56 -8.118 6.276 -13.473 1.00 13.95 C ATOM 898 CD2 PHE A 56 -5.756 6.355 -13.714 1.00 10.28 C ATOM 899 CE1 PHE A 56 -8.022 5.009 -12.906 1.00 12.70 C ATOM 900 CE2 PHE A 56 -5.646 5.091 -13.144 1.00 14.77 C ATOM 901 CZ PHE A 56 -6.777 4.415 -12.740 1.00 13.87 C ATOM 902 HA PHE A 56 -8.130 7.686 -16.238 1.00 0.00 H ATOM 903 HB2 PHE A 56 -6.185 8.877 -14.240 1.00 0.00 H ATOM 904 HB3 PHE A 56 -7.946 8.838 -13.991 1.00 0.00 H ATOM 905 HD2 PHE A 56 -4.856 6.880 -14.033 1.00 0.00 H ATOM 906 HE2 PHE A 56 -4.664 4.635 -13.017 1.00 0.00 H ATOM 907 HZ PHE A 56 -6.696 3.424 -12.294 1.00 0.00 H ATOM 908 HE1 PHE A 56 -8.923 4.483 -12.592 1.00 0.00 H ATOM 909 HD1 PHE A 56 -9.098 6.737 -13.596 1.00 0.00 H ATOM 910 H PHE A 56 -5.181 8.069 -16.217 1.00 0.00 H ATOM 911 N MET A 57 -8.951 10.063 -16.562 1.00 12.11 N ATOM 912 CA MET A 57 -9.445 11.400 -16.888 1.00 14.00 C ATOM 913 C MET A 57 -10.589 11.733 -15.946 1.00 11.91 C ATOM 914 O MET A 57 -11.454 10.899 -15.711 1.00 14.35 O ATOM 915 CB MET A 57 -9.996 11.440 -18.317 1.00 14.07 C ATOM 916 CG MET A 57 -8.990 11.147 -19.396 1.00 22.19 C ATOM 917 SD MET A 57 -8.604 12.666 -20.262 1.00 44.44 S ATOM 918 CE MET A 57 -10.259 13.243 -20.626 1.00 26.48 C ATOM 919 HA MET A 57 -8.623 12.110 -16.793 1.00 0.00 H ATOM 920 HB2 MET A 57 -10.796 10.704 -18.392 1.00 0.00 H ATOM 921 HB3 MET A 57 -10.402 12.436 -18.495 1.00 0.00 H ATOM 922 HG2 MET A 57 -9.405 10.422 -20.096 1.00 0.00 H ATOM 923 HG3 MET A 57 -8.083 10.740 -18.949 1.00 0.00 H ATOM 924 HE1 MET A 57 -10.774 12.502 -21.237 1.00 0.00 H ATOM 925 HE2 MET A 57 -10.804 13.390 -19.694 1.00 0.00 H ATOM 926 HE3 MET A 57 -10.202 14.187 -21.168 1.00 0.00 H ATOM 927 H MET A 57 -9.640 9.290 -16.460 1.00 0.00 H ATOM 928 N LEU A 58 -10.617 12.959 -15.437 1.00 7.22 N ATOM 929 CA LEU A 58 -11.666 13.377 -14.522 1.00 11.01 C ATOM 930 C LEU A 58 -12.883 13.868 -15.290 1.00 13.46 C ATOM 931 O LEU A 58 -12.750 14.631 -16.236 1.00 13.11 O ATOM 932 CB LEU A 58 -11.138 14.499 -13.638 1.00 13.64 C ATOM 933 CG LEU A 58 -11.827 14.817 -12.322 1.00 16.32 C ATOM 934 CD1 LEU A 58 -11.732 13.646 -11.338 1.00 13.85 C ATOM 935 CD2 LEU A 58 -11.208 16.106 -11.729 1.00 13.99 C ATOM 936 HA LEU A 58 -11.962 12.525 -13.910 1.00 0.00 H ATOM 937 HB2 LEU A 58 -10.103 14.252 -13.400 1.00 0.00 H ATOM 938 HB3 LEU A 58 -11.165 15.410 -14.236 1.00 0.00 H ATOM 939 HG LEU A 58 -12.889 14.980 -12.506 1.00 0.00 H ATOM 940 HD21 LEU A 58 -10.143 15.951 -11.559 1.00 0.00 H ATOM 941 HD22 LEU A 58 -11.350 16.930 -12.428 1.00 0.00 H ATOM 942 HD23 LEU A 58 -11.697 16.341 -10.784 1.00 0.00 H ATOM 943 HD11 LEU A 58 -12.209 12.768 -11.773 1.00 0.00 H ATOM 944 HD12 LEU A 58 -10.684 13.428 -11.134 1.00 0.00 H ATOM 945 HD13 LEU A 58 -12.236 13.912 -10.409 1.00 0.00 H ATOM 946 H LEU A 58 -9.872 13.635 -15.699 1.00 0.00 H ATOM 947 N ALA A 59 -14.071 13.433 -14.888 1.00 15.17 N ATOM 948 CA ALA A 59 -15.290 13.996 -15.443 1.00 16.89 C ATOM 949 C ALA A 59 -15.314 15.494 -15.133 1.00 15.35 C ATOM 950 O ALA A 59 -14.845 15.933 -14.077 1.00 13.26 O ATOM 951 CB ALA A 59 -16.523 13.297 -14.871 1.00 18.02 C ATOM 952 HA ALA A 59 -15.309 13.845 -16.522 1.00 0.00 H ATOM 953 HB1 ALA A 59 -16.483 12.236 -15.115 1.00 0.00 H ATOM 954 HB2 ALA A 59 -16.540 13.421 -13.788 1.00 0.00 H ATOM 955 HB3 ALA A 59 -17.422 13.737 -15.303 1.00 0.00 H ATOM 956 H ALA A 59 -14.130 12.683 -14.170 1.00 0.00 H ATOM 957 N THR A 60 -15.843 16.280 -16.064 1.00 14.12 N ATOM 958 CA THR A 60 -15.813 17.728 -15.933 1.00 12.31 C ATOM 959 C THR A 60 -16.500 18.209 -14.658 1.00 17.05 C ATOM 960 O THR A 60 -16.051 19.161 -14.027 1.00 14.15 O ATOM 961 CB THR A 60 -16.435 18.401 -17.179 1.00 17.88 C ATOM 962 OG1 THR A 60 -15.735 17.948 -18.343 1.00 24.46 O ATOM 963 CG2 THR A 60 -16.307 19.902 -17.092 1.00 24.41 C ATOM 964 HA THR A 60 -14.766 18.022 -15.861 1.00 0.00 H ATOM 965 HB THR A 60 -17.491 18.138 -17.233 1.00 0.00 H ATOM 966 HG1 THR A 60 -16.125 18.373 -19.148 1.00 0.00 H ATOM 967 HG23 THR A 60 -16.836 20.260 -16.209 1.00 0.00 H ATOM 968 HG21 THR A 60 -15.253 20.172 -17.020 1.00 0.00 H ATOM 969 HG22 THR A 60 -16.739 20.355 -17.984 1.00 0.00 H ATOM 970 H THR A 60 -16.287 15.852 -16.902 1.00 0.00 H ATOM 971 N GLN A 61 -17.566 17.519 -14.262 1.00 17.77 N ATOM 972 CA GLN A 61 -18.302 17.847 -13.040 1.00 15.51 C ATOM 973 C GLN A 61 -17.411 17.817 -11.803 1.00 17.17 C ATOM 974 O GLN A 61 -17.699 18.489 -10.818 1.00 16.31 O ATOM 975 CB GLN A 61 -19.485 16.887 -12.842 1.00 22.36 C ATOM 976 CG GLN A 61 -19.059 15.461 -12.467 1.00 26.95 C ATOM 977 CD GLN A 61 -20.088 14.406 -12.826 1.00 32.10 C ATOM 978 OE1 GLN A 61 -21.063 14.680 -13.525 1.00 34.39 O ATOM 979 NE2 GLN A 61 -19.868 13.186 -12.352 1.00 29.05 N ATOM 980 HA GLN A 61 -18.673 18.864 -13.163 1.00 0.00 H ATOM 981 HB2 GLN A 61 -20.118 17.279 -12.046 1.00 0.00 H ATOM 982 HB3 GLN A 61 -20.055 16.845 -13.770 1.00 0.00 H ATOM 983 HG2 GLN A 61 -18.131 15.230 -12.990 1.00 0.00 H ATOM 984 HG3 GLN A 61 -18.888 15.424 -11.391 1.00 0.00 H ATOM 985 HE22 GLN A 61 -19.030 13.000 -11.765 1.00 0.00 H ATOM 986 HE21 GLN A 61 -20.533 12.416 -12.568 1.00 0.00 H ATOM 987 H GLN A 61 -17.888 16.718 -14.841 1.00 0.00 H ATOM 988 N LEU A 62 -16.325 17.050 -11.856 1.00 11.28 N ATOM 989 CA LEU A 62 -15.421 16.950 -10.716 1.00 7.94 C ATOM 990 C LEU A 62 -14.268 17.942 -10.741 1.00 10.90 C ATOM 991 O LEU A 62 -13.446 17.946 -9.838 1.00 11.15 O ATOM 992 CB LEU A 62 -14.851 15.539 -10.597 1.00 10.16 C ATOM 993 CG LEU A 62 -15.890 14.442 -10.366 1.00 18.35 C ATOM 994 CD1 LEU A 62 -15.186 13.114 -10.146 1.00 15.62 C ATOM 995 CD2 LEU A 62 -16.766 14.805 -9.193 1.00 17.75 C ATOM 996 HA LEU A 62 -16.036 17.195 -9.850 1.00 0.00 H ATOM 997 HB2 LEU A 62 -14.317 15.311 -11.519 1.00 0.00 H ATOM 998 HB3 LEU A 62 -14.152 15.525 -9.761 1.00 0.00 H ATOM 999 HG LEU A 62 -16.530 14.346 -11.243 1.00 0.00 H ATOM 1000 HD21 LEU A 62 -16.150 14.912 -8.300 1.00 0.00 H ATOM 1001 HD22 LEU A 62 -17.275 15.746 -9.399 1.00 0.00 H ATOM 1002 HD23 LEU A 62 -17.504 14.018 -9.035 1.00 0.00 H ATOM 1003 HD11 LEU A 62 -14.590 12.870 -11.025 1.00 0.00 H ATOM 1004 HD12 LEU A 62 -14.536 13.189 -9.274 1.00 0.00 H ATOM 1005 HD13 LEU A 62 -15.929 12.333 -9.982 1.00 0.00 H ATOM 1006 H LEU A 62 -16.118 16.514 -12.723 1.00 0.00 H ATOM 1007 N ASN A 63 -14.196 18.772 -11.777 1.00 10.92 N ATOM 1008 CA ASN A 63 -13.159 19.798 -11.833 1.00 11.18 C ATOM 1009 C ASN A 63 -12.938 20.626 -10.556 1.00 14.05 C ATOM 1010 O ASN A 63 -11.792 20.907 -10.210 1.00 12.21 O ATOM 1011 CB ASN A 63 -13.353 20.711 -13.050 1.00 11.35 C ATOM 1012 CG ASN A 63 -12.951 20.033 -14.350 1.00 12.50 C ATOM 1013 OD1 ASN A 63 -12.542 18.865 -14.356 1.00 11.26 O ATOM 1014 ND2 ASN A 63 -13.061 20.762 -15.458 1.00 15.42 N ATOM 1015 HA ASN A 63 -12.237 19.225 -11.933 1.00 0.00 H ATOM 1016 HB2 ASN A 63 -14.404 20.994 -13.112 1.00 0.00 H ATOM 1017 HB3 ASN A 63 -12.744 21.606 -12.918 1.00 0.00 H ATOM 1018 HD22 ASN A 63 -13.410 21.740 -15.404 1.00 0.00 H ATOM 1019 HD21 ASN A 63 -12.798 20.353 -16.378 1.00 0.00 H ATOM 1020 H ASN A 63 -14.883 18.690 -12.553 1.00 0.00 H ATOM 1021 N PRO A 64 -14.014 21.016 -9.841 1.00 10.09 N ATOM 1022 CA PRO A 64 -13.712 21.847 -8.664 1.00 10.85 C ATOM 1023 C PRO A 64 -12.872 21.155 -7.576 1.00 10.14 C ATOM 1024 O PRO A 64 -12.291 21.853 -6.750 1.00 11.09 O ATOM 1025 CB PRO A 64 -15.101 22.196 -8.116 1.00 18.37 C ATOM 1026 CG PRO A 64 -15.999 22.078 -9.279 1.00 17.79 C ATOM 1027 CD PRO A 64 -15.466 20.912 -10.063 1.00 11.48 C ATOM 1028 HA PRO A 64 -13.099 22.701 -8.951 1.00 0.00 H ATOM 1029 HD3 PRO A 64 -15.857 19.969 -9.681 1.00 0.00 H ATOM 1030 HD2 PRO A 64 -15.711 21.004 -11.121 1.00 0.00 H ATOM 1031 HG3 PRO A 64 -15.972 22.988 -9.878 1.00 0.00 H ATOM 1032 HG2 PRO A 64 -17.022 21.887 -8.956 1.00 0.00 H ATOM 1033 HB2 PRO A 64 -15.392 21.497 -7.332 1.00 0.00 H ATOM 1034 HB3 PRO A 64 -15.115 23.211 -7.720 1.00 0.00 H ATOM 1035 N LEU A 65 -12.803 19.827 -7.567 1.00 13.17 N ATOM 1036 CA LEU A 65 -11.964 19.131 -6.582 1.00 9.94 C ATOM 1037 C LEU A 65 -10.508 19.460 -6.840 1.00 11.59 C ATOM 1038 O LEU A 65 -9.703 19.560 -5.918 1.00 12.61 O ATOM 1039 CB LEU A 65 -12.160 17.618 -6.667 1.00 12.05 C ATOM 1040 CG LEU A 65 -13.578 17.084 -6.472 1.00 16.82 C ATOM 1041 CD1 LEU A 65 -13.592 15.572 -6.455 1.00 20.02 C ATOM 1042 CD2 LEU A 65 -14.167 17.627 -5.201 1.00 23.97 C ATOM 1043 HA LEU A 65 -12.255 19.464 -5.586 1.00 0.00 H ATOM 1044 HB2 LEU A 65 -11.822 17.298 -7.653 1.00 0.00 H ATOM 1045 HB3 LEU A 65 -11.530 17.162 -5.903 1.00 0.00 H ATOM 1046 HG LEU A 65 -14.186 17.417 -7.313 1.00 0.00 H ATOM 1047 HD21 LEU A 65 -13.550 17.320 -4.356 1.00 0.00 H ATOM 1048 HD22 LEU A 65 -14.199 18.715 -5.253 1.00 0.00 H ATOM 1049 HD23 LEU A 65 -15.177 17.238 -5.075 1.00 0.00 H ATOM 1050 HD11 LEU A 65 -13.204 15.196 -7.401 1.00 0.00 H ATOM 1051 HD12 LEU A 65 -12.968 15.213 -5.637 1.00 0.00 H ATOM 1052 HD13 LEU A 65 -14.614 15.221 -6.315 1.00 0.00 H ATOM 1053 H LEU A 65 -13.347 19.277 -8.262 1.00 0.00 H ATOM 1054 N VAL A 66 -10.171 19.614 -8.114 1.00 10.52 N ATOM 1055 CA VAL A 66 -8.811 19.955 -8.507 1.00 9.52 C ATOM 1056 C VAL A 66 -8.589 21.443 -8.277 1.00 10.73 C ATOM 1057 O VAL A 66 -7.650 21.849 -7.595 1.00 12.07 O ATOM 1058 CB VAL A 66 -8.556 19.612 -9.992 1.00 13.54 C ATOM 1059 CG1 VAL A 66 -7.209 20.159 -10.444 1.00 14.30 C ATOM 1060 CG2 VAL A 66 -8.622 18.088 -10.206 1.00 10.31 C ATOM 1061 HA VAL A 66 -8.115 19.372 -7.904 1.00 0.00 H ATOM 1062 HB VAL A 66 -9.333 20.081 -10.595 1.00 0.00 H ATOM 1063 HG11 VAL A 66 -7.200 21.242 -10.324 1.00 0.00 H ATOM 1064 HG12 VAL A 66 -6.417 19.718 -9.838 1.00 0.00 H ATOM 1065 HG13 VAL A 66 -7.049 19.907 -11.492 1.00 0.00 H ATOM 1066 HG21 VAL A 66 -7.863 17.603 -9.592 1.00 0.00 H ATOM 1067 HG22 VAL A 66 -9.609 17.725 -9.920 1.00 0.00 H ATOM 1068 HG23 VAL A 66 -8.440 17.862 -11.257 1.00 0.00 H ATOM 1069 H VAL A 66 -10.895 19.488 -8.849 1.00 0.00 H ATOM 1070 N GLU A 67 -9.486 22.252 -8.830 1.00 12.04 N ATOM 1071 CA GLU A 67 -9.376 23.690 -8.726 1.00 13.76 C ATOM 1072 C GLU A 67 -9.311 24.183 -7.281 1.00 17.39 C ATOM 1073 O GLU A 67 -8.569 25.112 -6.982 1.00 16.14 O ATOM 1074 CB GLU A 67 -10.500 24.361 -9.512 1.00 17.28 C ATOM 1075 CG GLU A 67 -10.077 24.631 -10.943 1.00 28.43 C ATOM 1076 CD GLU A 67 -11.105 24.203 -11.953 1.00 26.88 C ATOM 1077 OE1 GLU A 67 -12.309 24.243 -11.622 1.00 31.32 O ATOM 1078 OE2 GLU A 67 -10.708 23.834 -13.084 1.00 21.12 O ATOM 1079 HA GLU A 67 -8.423 23.978 -9.170 1.00 0.00 H ATOM 1080 HB2 GLU A 67 -11.372 23.708 -9.515 1.00 0.00 H ATOM 1081 HB3 GLU A 67 -10.757 25.305 -9.032 1.00 0.00 H ATOM 1082 HG2 GLU A 67 -9.902 25.701 -11.057 1.00 0.00 H ATOM 1083 HG3 GLU A 67 -9.151 24.090 -11.139 1.00 0.00 H ATOM 1084 H GLU A 67 -10.287 21.841 -9.351 1.00 0.00 H ATOM 1085 N GLU A 68 -10.048 23.536 -6.382 1.00 7.69 N ATOM 1086 CA GLU A 68 -10.020 23.928 -4.971 1.00 10.19 C ATOM 1087 C GLU A 68 -9.070 23.079 -4.139 1.00 17.14 C ATOM 1088 O GLU A 68 -9.000 23.223 -2.905 1.00 10.95 O ATOM 1089 CB GLU A 68 -11.435 23.966 -4.396 1.00 20.09 C ATOM 1090 CG GLU A 68 -12.365 24.828 -5.251 1.00 16.37 C ATOM 1091 CD GLU A 68 -13.750 25.026 -4.651 1.00 22.50 C ATOM 1092 OE1 GLU A 68 -14.719 25.154 -5.433 1.00 20.75 O ATOM 1093 OE2 GLU A 68 -13.868 25.072 -3.413 1.00 22.51 O ATOM 1094 HA GLU A 68 -9.615 24.939 -4.920 1.00 0.00 H ATOM 1095 HB2 GLU A 68 -11.829 22.951 -4.357 1.00 0.00 H ATOM 1096 HB3 GLU A 68 -11.397 24.378 -3.388 1.00 0.00 H ATOM 1097 HG2 GLU A 68 -11.904 25.807 -5.380 1.00 0.00 H ATOM 1098 HG3 GLU A 68 -12.478 24.350 -6.224 1.00 0.00 H ATOM 1099 H GLU A 68 -10.650 22.744 -6.684 1.00 0.00 H ATOM 1100 N GLU A 69 -8.353 22.201 -4.834 1.00 16.04 N ATOM 1101 CA GLU A 69 -7.170 21.524 -4.312 1.00 15.80 C ATOM 1102 C GLU A 69 -7.411 20.385 -3.318 1.00 19.53 C ATOM 1103 O GLU A 69 -6.472 19.972 -2.644 1.00 21.14 O ATOM 1104 CB GLU A 69 -6.190 22.537 -3.704 1.00 21.20 C ATOM 1105 CG GLU A 69 -5.810 23.699 -4.611 1.00 17.67 C ATOM 1106 CD GLU A 69 -4.865 24.670 -3.922 1.00 24.29 C ATOM 1107 OE1 GLU A 69 -3.749 24.256 -3.563 1.00 23.52 O ATOM 1108 OE2 GLU A 69 -5.247 25.840 -3.722 1.00 30.06 O ATOM 1109 HA GLU A 69 -6.748 21.038 -5.192 1.00 0.00 H ATOM 1110 HB2 GLU A 69 -6.646 22.948 -2.803 1.00 0.00 H ATOM 1111 HB3 GLU A 69 -5.277 22.005 -3.438 1.00 0.00 H ATOM 1112 HG2 GLU A 69 -5.323 23.305 -5.503 1.00 0.00 H ATOM 1113 HG3 GLU A 69 -6.716 24.233 -4.899 1.00 0.00 H ATOM 1114 H GLU A 69 -8.653 21.984 -5.806 1.00 0.00 H ATOM 1115 N GLN A 70 -8.638 19.876 -3.208 1.00 13.04 N ATOM 1116 CA GLN A 70 -8.860 18.675 -2.385 1.00 19.78 C ATOM 1117 C GLN A 70 -8.284 17.425 -3.061 1.00 16.49 C ATOM 1118 O GLN A 70 -7.737 16.535 -2.408 1.00 16.95 O ATOM 1119 CB GLN A 70 -10.346 18.467 -2.084 1.00 24.75 C ATOM 1120 CG GLN A 70 -10.913 19.379 -1.029 1.00 23.06 C ATOM 1121 CD GLN A 70 -11.575 20.577 -1.633 1.00 27.04 C ATOM 1122 OE1 GLN A 70 -11.430 20.844 -2.829 1.00 27.31 O ATOM 1123 NE2 GLN A 70 -12.318 21.314 -0.820 1.00 27.25 N ATOM 1124 HA GLN A 70 -8.338 18.834 -1.442 1.00 0.00 H ATOM 1125 HB2 GLN A 70 -10.904 18.628 -3.006 1.00 0.00 H ATOM 1126 HB3 GLN A 70 -10.484 17.438 -1.752 1.00 0.00 H ATOM 1127 HG2 GLN A 70 -11.647 18.827 -0.442 1.00 0.00 H ATOM 1128 HG3 GLN A 70 -10.105 19.712 -0.378 1.00 0.00 H ATOM 1129 HE22 GLN A 70 -12.411 21.050 0.182 1.00 0.00 H ATOM 1130 HE21 GLN A 70 -12.808 22.156 -1.184 1.00 0.00 H ATOM 1131 H GLN A 70 -9.436 20.325 -3.702 1.00 0.00 H ATOM 1132 N LEU A 71 -8.451 17.381 -4.381 1.00 12.05 N ATOM 1133 CA LEU A 71 -7.866 16.342 -5.219 1.00 14.63 C ATOM 1134 C LEU A 71 -6.505 16.823 -5.741 1.00 18.46 C ATOM 1135 O LEU A 71 -6.435 17.664 -6.637 1.00 14.02 O ATOM 1136 CB LEU A 71 -8.800 16.034 -6.387 1.00 14.06 C ATOM 1137 CG LEU A 71 -8.472 14.811 -7.247 1.00 18.03 C ATOM 1138 CD1 LEU A 71 -8.539 13.576 -6.398 1.00 20.77 C ATOM 1139 CD2 LEU A 71 -9.431 14.709 -8.405 1.00 14.92 C ATOM 1140 HA LEU A 71 -7.727 15.433 -4.634 1.00 0.00 H ATOM 1141 HB2 LEU A 71 -9.799 15.887 -5.977 1.00 0.00 H ATOM 1142 HB3 LEU A 71 -8.802 16.904 -7.043 1.00 0.00 H ATOM 1143 HG LEU A 71 -7.465 14.914 -7.651 1.00 0.00 H ATOM 1144 HD21 LEU A 71 -10.448 14.614 -8.025 1.00 0.00 H ATOM 1145 HD22 LEU A 71 -9.354 15.606 -9.019 1.00 0.00 H ATOM 1146 HD23 LEU A 71 -9.182 13.834 -9.005 1.00 0.00 H ATOM 1147 HD11 LEU A 71 -7.817 13.656 -5.585 1.00 0.00 H ATOM 1148 HD12 LEU A 71 -9.543 13.474 -5.985 1.00 0.00 H ATOM 1149 HD13 LEU A 71 -8.306 12.704 -7.009 1.00 0.00 H ATOM 1150 H LEU A 71 -9.024 18.121 -4.834 1.00 0.00 H ATOM 1151 N SER A 72 -5.420 16.319 -5.162 1.00 11.28 N ATOM 1152 CA SER A 72 -4.090 16.746 -5.579 1.00 14.20 C ATOM 1153 C SER A 72 -3.066 15.648 -5.323 1.00 11.52 C ATOM 1154 O SER A 72 -3.341 14.711 -4.593 1.00 8.65 O ATOM 1155 CB SER A 72 -3.671 18.016 -4.836 1.00 19.23 C ATOM 1156 OG SER A 72 -3.500 17.741 -3.467 1.00 23.26 O ATOM 1157 HA SER A 72 -4.129 16.955 -6.648 1.00 0.00 H ATOM 1158 HB2 SER A 72 -4.442 18.776 -4.958 1.00 0.00 H ATOM 1159 HB3 SER A 72 -2.732 18.383 -5.250 1.00 0.00 H ATOM 1160 HG SER A 72 -4.353 17.409 -3.089 1.00 0.00 H ATOM 1161 H SER A 72 -5.521 15.614 -4.405 1.00 0.00 H ATOM 1162 N SER A 73 -1.887 15.783 -5.922 1.00 11.25 N ATOM 1163 CA SER A 73 -0.846 14.765 -5.821 1.00 10.87 C ATOM 1164 C SER A 73 -0.593 14.324 -4.376 1.00 12.92 C ATOM 1165 O SER A 73 -0.419 15.164 -3.502 1.00 14.30 O ATOM 1166 CB SER A 73 0.451 15.289 -6.445 1.00 21.02 C ATOM 1167 OG SER A 73 0.255 15.566 -7.820 1.00 21.04 O ATOM 1168 HA SER A 73 -1.195 13.888 -6.366 1.00 0.00 H ATOM 1169 HB2 SER A 73 1.233 14.537 -6.337 1.00 0.00 H ATOM 1170 HB3 SER A 73 0.754 16.202 -5.933 1.00 0.00 H ATOM 1171 HG SER A 73 -0.453 16.251 -7.920 1.00 0.00 H ATOM 1172 H SER A 73 -1.701 16.641 -6.480 1.00 0.00 H ATOM 1173 N ASN A 74 -0.576 13.003 -4.176 1.00 10.01 N ATOM 1174 CA ASN A 74 -0.385 12.281 -2.897 1.00 9.55 C ATOM 1175 C ASN A 74 -1.676 11.924 -2.162 1.00 11.84 C ATOM 1176 O ASN A 74 -1.663 11.077 -1.283 1.00 10.95 O ATOM 1177 CB ASN A 74 0.564 12.972 -1.911 1.00 12.05 C ATOM 1178 CG ASN A 74 1.995 13.024 -2.412 1.00 17.15 C ATOM 1179 OD1 ASN A 74 2.435 12.160 -3.161 1.00 13.46 O ATOM 1180 ND2 ASN A 74 2.726 14.053 -1.993 1.00 19.16 N ATOM 1181 HA ASN A 74 0.081 11.357 -3.239 1.00 0.00 H ATOM 1182 HB2 ASN A 74 0.215 13.991 -1.747 1.00 0.00 H ATOM 1183 HB3 ASN A 74 0.544 12.426 -0.968 1.00 0.00 H ATOM 1184 HD22 ASN A 74 2.309 14.762 -1.357 1.00 0.00 H ATOM 1185 HD21 ASN A 74 3.715 14.148 -2.301 1.00 0.00 H ATOM 1186 H ASN A 74 -0.713 12.411 -5.020 1.00 0.00 H ATOM 1187 N CYS A 75 -2.774 12.592 -2.487 1.00 11.11 N ATOM 1188 CA CYS A 75 -4.017 12.277 -1.789 1.00 6.95 C ATOM 1189 C CYS A 75 -4.459 10.861 -2.130 1.00 7.27 C ATOM 1190 O CYS A 75 -4.124 10.328 -3.187 1.00 9.86 O ATOM 1191 CB CYS A 75 -5.123 13.278 -2.101 1.00 10.87 C ATOM 1192 SG CYS A 75 -6.041 12.922 -3.598 1.00 11.69 S ATOM 1193 HA CYS A 75 -3.823 12.345 -0.719 1.00 0.00 H ATOM 1194 HB2 CYS A 75 -4.671 14.265 -2.204 1.00 0.00 H ATOM 1195 HB3 CYS A 75 -5.823 13.285 -1.265 1.00 0.00 H ATOM 1196 HG CYS A 75 -5.179 12.924 -4.676 1.00 0.00 H ATOM 1197 H CYS A 75 -2.750 13.325 -3.224 1.00 0.00 H ATOM 1198 N VAL A 76 -5.207 10.260 -1.219 1.00 7.94 N ATOM 1199 CA VAL A 76 -5.742 8.922 -1.426 1.00 11.17 C ATOM 1200 C VAL A 76 -7.255 9.038 -1.594 1.00 12.32 C ATOM 1201 O VAL A 76 -7.948 9.718 -0.807 1.00 9.15 O ATOM 1202 CB VAL A 76 -5.375 8.003 -0.254 1.00 10.84 C ATOM 1203 CG1 VAL A 76 -6.184 6.711 -0.292 1.00 10.10 C ATOM 1204 CG2 VAL A 76 -3.887 7.712 -0.276 1.00 8.38 C ATOM 1205 HA VAL A 76 -5.310 8.476 -2.322 1.00 0.00 H ATOM 1206 HB VAL A 76 -5.620 8.513 0.678 1.00 0.00 H ATOM 1207 HG11 VAL A 76 -7.246 6.947 -0.230 1.00 0.00 H ATOM 1208 HG12 VAL A 76 -5.981 6.184 -1.224 1.00 0.00 H ATOM 1209 HG13 VAL A 76 -5.901 6.081 0.551 1.00 0.00 H ATOM 1210 HG21 VAL A 76 -3.628 7.222 -1.214 1.00 0.00 H ATOM 1211 HG22 VAL A 76 -3.334 8.647 -0.188 1.00 0.00 H ATOM 1212 HG23 VAL A 76 -3.633 7.059 0.559 1.00 0.00 H ATOM 1213 H VAL A 76 -5.419 10.757 -0.330 1.00 0.00 H ATOM 1214 N CYS A 77 -7.765 8.390 -2.632 1.00 9.63 N ATOM 1215 CA CYS A 77 -9.173 8.531 -2.935 1.00 11.75 C ATOM 1216 C CYS A 77 -9.803 7.191 -3.278 1.00 12.68 C ATOM 1217 O CYS A 77 -9.120 6.238 -3.647 1.00 9.95 O ATOM 1218 CB CYS A 77 -9.368 9.535 -4.077 1.00 11.15 C ATOM 1219 SG CYS A 77 -8.619 9.053 -5.626 1.00 15.05 S ATOM 1220 HA CYS A 77 -9.677 8.910 -2.046 1.00 0.00 H ATOM 1221 HB2 CYS A 77 -8.934 10.487 -3.771 1.00 0.00 H ATOM 1222 HB3 CYS A 77 -10.438 9.661 -4.241 1.00 0.00 H ATOM 1223 HG CYS A 77 -8.858 10.027 -6.574 1.00 0.00 H ATOM 1224 H CYS A 77 -7.159 7.786 -3.223 1.00 0.00 H ATOM 1225 N GLN A 78 -11.119 7.130 -3.125 1.00 9.36 N ATOM 1226 CA GLN A 78 -11.855 5.943 -3.514 1.00 10.54 C ATOM 1227 C GLN A 78 -12.711 6.268 -4.722 1.00 8.13 C ATOM 1228 O GLN A 78 -13.451 7.249 -4.710 1.00 10.17 O ATOM 1229 CB GLN A 78 -12.751 5.467 -2.378 1.00 10.12 C ATOM 1230 CG GLN A 78 -13.601 4.268 -2.770 1.00 9.51 C ATOM 1231 CD GLN A 78 -14.116 3.545 -1.558 1.00 14.38 C ATOM 1232 OE1 GLN A 78 -14.333 4.158 -0.526 1.00 16.22 O ATOM 1233 NE2 GLN A 78 -14.285 2.233 -1.663 1.00 11.69 N ATOM 1234 HA GLN A 78 -11.145 5.151 -3.753 1.00 0.00 H ATOM 1235 HB2 GLN A 78 -12.124 5.189 -1.531 1.00 0.00 H ATOM 1236 HB3 GLN A 78 -13.411 6.284 -2.087 1.00 0.00 H ATOM 1237 HG2 GLN A 78 -14.447 4.611 -3.365 1.00 0.00 H ATOM 1238 HG3 GLN A 78 -12.996 3.582 -3.363 1.00 0.00 H ATOM 1239 HE22 GLN A 78 -14.087 1.754 -2.564 1.00 0.00 H ATOM 1240 HE21 GLN A 78 -14.616 1.684 -0.844 1.00 0.00 H ATOM 1241 H GLN A 78 -11.628 7.942 -2.722 1.00 0.00 H ATOM 1242 N ILE A 79 -12.625 5.443 -5.761 1.00 6.88 N ATOM 1243 CA ILE A 79 -13.411 5.680 -6.962 1.00 9.17 C ATOM 1244 C ILE A 79 -14.781 5.008 -6.818 1.00 12.96 C ATOM 1245 O ILE A 79 -14.880 3.782 -6.739 1.00 9.07 O ATOM 1246 CB ILE A 79 -12.714 5.132 -8.223 1.00 13.82 C ATOM 1247 CG1 ILE A 79 -11.259 5.619 -8.307 1.00 14.14 C ATOM 1248 CG2 ILE A 79 -13.499 5.531 -9.474 1.00 13.36 C ATOM 1249 CD1 ILE A 79 -11.114 7.136 -8.286 1.00 15.24 C ATOM 1250 HA ILE A 79 -13.522 6.758 -7.076 1.00 0.00 H ATOM 1251 HB ILE A 79 -12.693 4.044 -8.160 1.00 0.00 H ATOM 1252 HG12 ILE A 79 -10.710 5.210 -7.459 1.00 0.00 H ATOM 1253 HG13 ILE A 79 -10.824 5.245 -9.234 1.00 0.00 H ATOM 1254 HD11 ILE A 79 -11.647 7.562 -9.135 1.00 0.00 H ATOM 1255 HD12 ILE A 79 -11.533 7.527 -7.359 1.00 0.00 H ATOM 1256 HD13 ILE A 79 -10.058 7.400 -8.349 1.00 0.00 H ATOM 1257 HG21 ILE A 79 -14.507 5.121 -9.415 1.00 0.00 H ATOM 1258 HG22 ILE A 79 -13.551 6.618 -9.537 1.00 0.00 H ATOM 1259 HG23 ILE A 79 -12.996 5.138 -10.358 1.00 0.00 H ATOM 1260 H ILE A 79 -11.990 4.621 -5.715 1.00 0.00 H ATOM 1261 N HIS A 80 -15.833 5.812 -6.763 1.00 12.82 N ATOM 1262 CA HIS A 80 -17.179 5.285 -6.535 1.00 11.30 C ATOM 1263 C HIS A 80 -17.921 4.965 -7.818 1.00 13.72 C ATOM 1264 O HIS A 80 -18.793 4.100 -7.822 1.00 13.75 O ATOM 1265 CB HIS A 80 -17.986 6.254 -5.678 1.00 12.19 C ATOM 1266 CG HIS A 80 -17.568 6.241 -4.248 1.00 14.50 C ATOM 1267 ND1 HIS A 80 -17.848 5.186 -3.410 1.00 11.10 N ATOM 1268 CD2 HIS A 80 -16.849 7.128 -3.521 1.00 14.51 C ATOM 1269 CE1 HIS A 80 -17.334 5.430 -2.219 1.00 16.54 C ATOM 1270 NE2 HIS A 80 -16.722 6.599 -2.259 1.00 13.72 N ATOM 1271 HA HIS A 80 -17.060 4.340 -6.005 1.00 0.00 H ATOM 1272 HB2 HIS A 80 -17.853 7.262 -6.071 1.00 0.00 H ATOM 1273 HB3 HIS A 80 -19.039 5.978 -5.737 1.00 0.00 H ATOM 1274 HD2 HIS A 80 -16.448 8.080 -3.870 1.00 0.00 H ATOM 1275 HE1 HIS A 80 -17.403 4.777 -1.349 1.00 0.00 H ATOM 1276 H HIS A 80 -15.700 6.836 -6.884 1.00 0.00 H ATOM 1277 N ARG A 81 -17.556 5.652 -8.898 1.00 10.17 N ATOM 1278 CA ARG A 81 -18.094 5.366 -10.219 1.00 8.41 C ATOM 1279 C ARG A 81 -17.095 5.735 -11.304 1.00 14.03 C ATOM 1280 O ARG A 81 -16.529 6.831 -11.310 1.00 10.38 O ATOM 1281 CB ARG A 81 -19.388 6.132 -10.451 1.00 11.38 C ATOM 1282 CG ARG A 81 -20.093 5.751 -11.729 1.00 16.25 C ATOM 1283 CD ARG A 81 -21.560 6.169 -11.712 1.00 25.05 C ATOM 1284 NE ARG A 81 -21.719 7.621 -11.641 1.00 21.70 N ATOM 1285 CZ ARG A 81 -21.960 8.395 -12.693 1.00 23.66 C ATOM 1286 NH1 ARG A 81 -22.074 7.853 -13.900 1.00 32.50 N ATOM 1287 NH2 ARG A 81 -22.091 9.707 -12.538 1.00 32.26 N ATOM 1288 HA ARG A 81 -18.294 4.296 -10.267 1.00 0.00 H ATOM 1289 HB2 ARG A 81 -20.059 5.936 -9.615 1.00 0.00 H ATOM 1290 HB3 ARG A 81 -19.157 7.197 -10.488 1.00 0.00 H ATOM 1291 HG2 ARG A 81 -19.596 6.241 -12.566 1.00 0.00 H ATOM 1292 HG3 ARG A 81 -20.035 4.670 -11.856 1.00 0.00 H ATOM 1293 HD2 ARG A 81 -22.044 5.720 -10.845 1.00 0.00 H ATOM 1294 HD3 ARG A 81 -22.039 5.807 -12.622 1.00 0.00 H ATOM 1295 HE ARG A 81 -21.638 8.076 -10.709 1.00 0.00 H ATOM 1296 HH12 ARG A 81 -22.263 8.457 -14.725 1.00 0.00 H ATOM 1297 HH11 ARG A 81 -21.975 6.825 -14.020 1.00 0.00 H ATOM 1298 HH22 ARG A 81 -22.280 10.312 -13.363 1.00 0.00 H ATOM 1299 HH21 ARG A 81 -22.005 10.130 -11.592 1.00 0.00 H ATOM 1300 H ARG A 81 -16.862 6.420 -8.794 1.00 0.00 H ATOM 1301 N PHE A 82 -16.883 4.821 -12.235 1.00 12.43 N ATOM 1302 CA PHE A 82 -16.038 5.129 -13.378 1.00 12.58 C ATOM 1303 C PHE A 82 -16.539 4.436 -14.641 1.00 17.60 C ATOM 1304 O PHE A 82 -17.302 3.470 -14.578 1.00 14.22 O ATOM 1305 CB PHE A 82 -14.573 4.784 -13.087 1.00 11.95 C ATOM 1306 CG PHE A 82 -14.311 3.314 -12.936 1.00 17.68 C ATOM 1307 CD1 PHE A 82 -14.514 2.682 -11.720 1.00 15.71 C ATOM 1308 CD2 PHE A 82 -13.857 2.567 -14.007 1.00 14.26 C ATOM 1309 CE1 PHE A 82 -14.273 1.335 -11.572 1.00 17.69 C ATOM 1310 CE2 PHE A 82 -13.616 1.215 -13.867 1.00 19.17 C ATOM 1311 CZ PHE A 82 -13.819 0.598 -12.646 1.00 21.87 C ATOM 1312 HA PHE A 82 -16.094 6.203 -13.556 1.00 0.00 H ATOM 1313 HB2 PHE A 82 -13.962 5.159 -13.909 1.00 0.00 H ATOM 1314 HB3 PHE A 82 -14.280 5.281 -12.162 1.00 0.00 H ATOM 1315 HD2 PHE A 82 -13.688 3.049 -14.970 1.00 0.00 H ATOM 1316 HE2 PHE A 82 -13.265 0.633 -14.719 1.00 0.00 H ATOM 1317 HZ PHE A 82 -13.621 -0.468 -12.533 1.00 0.00 H ATOM 1318 HE1 PHE A 82 -14.440 0.852 -10.609 1.00 0.00 H ATOM 1319 HD1 PHE A 82 -14.870 3.260 -10.867 1.00 0.00 H ATOM 1320 H PHE A 82 -17.321 3.881 -12.150 1.00 0.00 H ATOM 1321 N ILE A 83 -16.130 4.948 -15.791 1.00 14.42 N ATOM 1322 CA ILE A 83 -16.439 4.278 -17.044 1.00 24.74 C ATOM 1323 C ILE A 83 -15.186 4.205 -17.910 1.00 18.09 C ATOM 1324 O ILE A 83 -14.353 5.110 -17.893 1.00 21.65 O ATOM 1325 CB ILE A 83 -17.598 4.975 -17.814 1.00 18.97 C ATOM 1326 CG1 ILE A 83 -17.202 6.382 -18.254 1.00 27.19 C ATOM 1327 CG2 ILE A 83 -18.871 5.002 -16.974 1.00 20.48 C ATOM 1328 CD1 ILE A 83 -18.105 6.944 -19.346 1.00 40.38 C ATOM 1329 HA ILE A 83 -16.778 3.269 -16.808 1.00 0.00 H ATOM 1330 HB ILE A 83 -17.799 4.392 -18.713 1.00 0.00 H ATOM 1331 HG12 ILE A 83 -17.251 7.043 -17.389 1.00 0.00 H ATOM 1332 HG13 ILE A 83 -16.179 6.353 -18.630 1.00 0.00 H ATOM 1333 HD11 ILE A 83 -18.058 6.298 -20.223 1.00 0.00 H ATOM 1334 HD12 ILE A 83 -19.131 6.988 -18.980 1.00 0.00 H ATOM 1335 HD13 ILE A 83 -17.769 7.946 -19.613 1.00 0.00 H ATOM 1336 HG21 ILE A 83 -19.171 3.981 -16.738 1.00 0.00 H ATOM 1337 HG22 ILE A 83 -18.684 5.550 -16.050 1.00 0.00 H ATOM 1338 HG23 ILE A 83 -19.665 5.494 -17.536 1.00 0.00 H ATOM 1339 H ILE A 83 -15.585 5.834 -15.798 1.00 0.00 H ATOM 1340 N VAL A 84 -15.035 3.110 -18.640 1.00 12.22 N ATOM 1341 CA VAL A 84 -13.907 2.966 -19.542 1.00 11.59 C ATOM 1342 C VAL A 84 -14.368 3.348 -20.947 1.00 20.01 C ATOM 1343 O VAL A 84 -15.447 2.952 -21.396 1.00 20.98 O ATOM 1344 CB VAL A 84 -13.360 1.525 -19.527 1.00 14.73 C ATOM 1345 CG1 VAL A 84 -12.363 1.304 -20.654 1.00 17.01 C ATOM 1346 CG2 VAL A 84 -12.725 1.215 -18.178 1.00 22.82 C ATOM 1347 HA VAL A 84 -13.097 3.621 -19.219 1.00 0.00 H ATOM 1348 HB VAL A 84 -14.195 0.843 -19.684 1.00 0.00 H ATOM 1349 HG11 VAL A 84 -12.854 1.481 -21.611 1.00 0.00 H ATOM 1350 HG12 VAL A 84 -11.528 1.995 -20.539 1.00 0.00 H ATOM 1351 HG13 VAL A 84 -11.996 0.279 -20.616 1.00 0.00 H ATOM 1352 HG21 VAL A 84 -11.905 1.910 -17.996 1.00 0.00 H ATOM 1353 HG22 VAL A 84 -13.474 1.320 -17.393 1.00 0.00 H ATOM 1354 HG23 VAL A 84 -12.344 0.194 -18.183 1.00 0.00 H ATOM 1355 H VAL A 84 -15.734 2.343 -18.566 1.00 0.00 H ATOM 1356 N ASN A 85 -13.557 4.149 -21.624 1.00 14.67 N ATOM 1357 CA ASN A 85 -13.816 4.505 -23.000 1.00 12.54 C ATOM 1358 C ASN A 85 -12.623 4.108 -23.858 1.00 12.97 C ATOM 1359 O ASN A 85 -11.480 4.289 -23.453 1.00 13.92 O ATOM 1360 CB ASN A 85 -14.063 6.005 -23.121 1.00 22.33 C ATOM 1361 CG ASN A 85 -14.826 6.359 -24.380 1.00 31.78 C ATOM 1362 OD1 ASN A 85 -15.853 5.754 -24.669 1.00 31.23 O ATOM 1363 ND2 ASN A 85 -14.322 7.329 -25.142 1.00 34.36 N ATOM 1364 HA ASN A 85 -14.705 3.976 -23.343 1.00 0.00 H ATOM 1365 HB2 ASN A 85 -14.638 6.337 -22.257 1.00 0.00 H ATOM 1366 HB3 ASN A 85 -13.102 6.519 -23.136 1.00 0.00 H ATOM 1367 HD22 ASN A 85 -13.448 7.814 -24.856 1.00 0.00 H ATOM 1368 HD21 ASN A 85 -14.803 7.601 -26.023 1.00 0.00 H ATOM 1369 H ASN A 85 -12.712 4.531 -21.152 1.00 0.00 H ATOM 1370 N THR A 86 -12.884 3.572 -25.043 1.00 9.26 N ATOM 1371 CA THR A 86 -11.809 3.106 -25.902 1.00 10.64 C ATOM 1372 C THR A 86 -11.699 4.025 -27.110 1.00 15.20 C ATOM 1373 O THR A 86 -12.693 4.310 -27.777 1.00 11.04 O ATOM 1374 CB THR A 86 -12.033 1.644 -26.334 1.00 11.99 C ATOM 1375 OG1 THR A 86 -12.189 0.819 -25.167 1.00 13.35 O ATOM 1376 CG2 THR A 86 -10.871 1.134 -27.186 1.00 9.60 C ATOM 1377 HA THR A 86 -10.872 3.134 -25.346 1.00 0.00 H ATOM 1378 HB THR A 86 -12.937 1.597 -26.941 1.00 0.00 H ATOM 1379 HG1 THR A 86 -12.333 -0.120 -25.445 1.00 0.00 H ATOM 1380 HG23 THR A 86 -10.763 1.767 -28.067 1.00 0.00 H ATOM 1381 HG21 THR A 86 -9.952 1.164 -26.600 1.00 0.00 H ATOM 1382 HG22 THR A 86 -11.072 0.109 -27.496 1.00 0.00 H ATOM 1383 H THR A 86 -13.870 3.484 -25.361 1.00 0.00 H ATOM 1384 N LEU A 87 -10.488 4.512 -27.366 1.00 12.46 N ATOM 1385 CA LEU A 87 -10.252 5.420 -28.485 1.00 12.72 C ATOM 1386 C LEU A 87 -10.100 4.649 -29.795 1.00 13.32 C ATOM 1387 O LEU A 87 -9.938 3.432 -29.791 1.00 10.77 O ATOM 1388 CB LEU A 87 -9.002 6.274 -28.239 1.00 16.87 C ATOM 1389 CG LEU A 87 -8.916 7.003 -26.885 1.00 14.56 C ATOM 1390 CD1 LEU A 87 -7.809 8.030 -26.912 1.00 24.62 C ATOM 1391 CD2 LEU A 87 -10.259 7.645 -26.511 1.00 18.83 C ATOM 1392 HA LEU A 87 -11.119 6.076 -28.565 1.00 0.00 H ATOM 1393 HB2 LEU A 87 -8.134 5.619 -28.317 1.00 0.00 H ATOM 1394 HB3 LEU A 87 -8.958 7.029 -29.024 1.00 0.00 H ATOM 1395 HG LEU A 87 -8.683 6.267 -26.116 1.00 0.00 H ATOM 1396 HD21 LEU A 87 -10.541 8.367 -27.277 1.00 0.00 H ATOM 1397 HD22 LEU A 87 -11.023 6.871 -26.441 1.00 0.00 H ATOM 1398 HD23 LEU A 87 -10.163 8.151 -25.550 1.00 0.00 H ATOM 1399 HD11 LEU A 87 -6.859 7.533 -27.110 1.00 0.00 H ATOM 1400 HD12 LEU A 87 -8.010 8.759 -27.697 1.00 0.00 H ATOM 1401 HD13 LEU A 87 -7.761 8.536 -25.948 1.00 0.00 H ATOM 1402 H LEU A 87 -9.691 4.240 -26.755 1.00 0.00 H ATOM 1403 N LYS A 88 -10.127 5.374 -30.910 1.00 14.66 N ATOM 1404 CA LYS A 88 -9.965 4.766 -32.232 1.00 15.25 C ATOM 1405 C LYS A 88 -8.671 3.990 -32.380 1.00 15.82 C ATOM 1406 O LYS A 88 -8.612 3.009 -33.126 1.00 14.43 O ATOM 1407 CB LYS A 88 -10.015 5.832 -33.332 1.00 17.87 C ATOM 1408 CG LYS A 88 -11.265 6.647 -33.356 1.00 21.87 C ATOM 1409 CD LYS A 88 -11.223 7.669 -34.499 1.00 22.66 C ATOM 1410 CE LYS A 88 -12.487 8.513 -34.528 1.00 37.29 C ATOM 1411 NZ LYS A 88 -12.513 9.435 -35.694 1.00 28.13 N ATOM 1412 HA LYS A 88 -10.795 4.066 -32.334 1.00 0.00 H ATOM 1413 HB2 LYS A 88 -9.172 6.508 -33.189 1.00 0.00 H ATOM 1414 HB3 LYS A 88 -9.918 5.331 -34.295 1.00 0.00 H ATOM 1415 HG2 LYS A 88 -12.121 5.987 -33.497 1.00 0.00 H ATOM 1416 HG3 LYS A 88 -11.367 7.174 -32.408 1.00 0.00 H ATOM 1417 HD2 LYS A 88 -10.362 8.323 -34.361 1.00 0.00 H ATOM 1418 HD3 LYS A 88 -11.127 7.139 -35.447 1.00 0.00 H ATOM 1419 HE2 LYS A 88 -12.539 9.102 -33.612 1.00 0.00 H ATOM 1420 HE3 LYS A 88 -13.351 7.851 -34.583 1.00 0.00 H ATOM 1421 HZ1 LYS A 88 -11.695 10.075 -35.646 1.00 0.00 H ATOM 1422 HZ2 LYS A 88 -12.471 8.881 -36.573 1.00 0.00 H ATOM 1423 HZ3 LYS A 88 -13.392 9.991 -35.675 1.00 0.00 H ATOM 1424 H LYS A 88 -10.267 6.402 -30.841 1.00 0.00 H ATOM 1425 N ASP A 89 -7.626 4.433 -31.690 1.00 14.79 N ATOM 1426 CA ASP A 89 -6.329 3.791 -31.826 1.00 18.71 C ATOM 1427 C ASP A 89 -6.196 2.578 -30.909 1.00 11.64 C ATOM 1428 O ASP A 89 -5.157 1.930 -30.885 1.00 15.53 O ATOM 1429 CB ASP A 89 -5.183 4.780 -31.576 1.00 23.86 C ATOM 1430 CG ASP A 89 -5.231 5.410 -30.187 1.00 27.61 C ATOM 1431 OD1 ASP A 89 -5.873 4.849 -29.274 1.00 20.29 O ATOM 1432 OD2 ASP A 89 -4.616 6.477 -30.009 1.00 29.84 O ATOM 1433 HA ASP A 89 -6.259 3.441 -32.856 1.00 0.00 H ATOM 1434 HB2 ASP A 89 -4.237 4.250 -31.685 1.00 0.00 H ATOM 1435 HB3 ASP A 89 -5.241 5.574 -32.320 1.00 0.00 H ATOM 1436 H ASP A 89 -7.736 5.244 -31.049 1.00 0.00 H ATOM 1437 N GLY A 90 -7.246 2.298 -30.140 1.00 11.46 N ATOM 1438 CA GLY A 90 -7.246 1.162 -29.236 1.00 10.00 C ATOM 1439 C GLY A 90 -6.853 1.458 -27.801 1.00 14.80 C ATOM 1440 O GLY A 90 -6.997 0.606 -26.927 1.00 11.25 O ATOM 1441 HA3 GLY A 90 -6.548 0.423 -29.628 1.00 0.00 H ATOM 1442 HA2 GLY A 90 -8.252 0.742 -29.227 1.00 0.00 H ATOM 1443 H GLY A 90 -8.087 2.908 -30.188 1.00 0.00 H ATOM 1444 N ARG A 91 -6.354 2.661 -27.536 1.00 16.19 N ATOM 1445 CA ARG A 91 -6.021 3.018 -26.160 1.00 15.68 C ATOM 1446 C ARG A 91 -7.301 3.198 -25.369 1.00 16.55 C ATOM 1447 O ARG A 91 -8.338 3.539 -25.925 1.00 14.66 O ATOM 1448 CB ARG A 91 -5.190 4.305 -26.111 1.00 20.28 C ATOM 1449 CG ARG A 91 -3.780 4.152 -26.669 1.00 29.49 C ATOM 1450 CD ARG A 91 -2.998 5.456 -26.557 1.00 32.74 C ATOM 1451 NE ARG A 91 -3.645 6.549 -27.276 1.00 30.74 N ATOM 1452 CZ ARG A 91 -3.258 7.816 -27.201 1.00 35.59 C ATOM 1453 NH1 ARG A 91 -3.902 8.748 -27.889 1.00 39.34 N ATOM 1454 NH2 ARG A 91 -2.227 8.149 -26.434 1.00 36.14 N ATOM 1455 HA ARG A 91 -5.425 2.216 -25.724 1.00 0.00 H ATOM 1456 HB2 ARG A 91 -5.707 5.070 -26.690 1.00 0.00 H ATOM 1457 HB3 ARG A 91 -5.115 4.626 -25.072 1.00 0.00 H ATOM 1458 HG2 ARG A 91 -3.258 3.375 -26.110 1.00 0.00 H ATOM 1459 HG3 ARG A 91 -3.842 3.863 -27.718 1.00 0.00 H ATOM 1460 HD2 ARG A 91 -2.001 5.305 -26.971 1.00 0.00 H ATOM 1461 HD3 ARG A 91 -2.916 5.727 -25.505 1.00 0.00 H ATOM 1462 HE ARG A 91 -4.458 6.321 -27.883 1.00 0.00 H ATOM 1463 HH12 ARG A 91 -3.598 9.741 -27.830 1.00 0.00 H ATOM 1464 HH11 ARG A 91 -4.711 8.486 -28.488 1.00 0.00 H ATOM 1465 HH22 ARG A 91 -1.923 9.142 -26.374 1.00 0.00 H ATOM 1466 HH21 ARG A 91 -1.724 7.417 -25.893 1.00 0.00 H ATOM 1467 H ARG A 91 -6.202 3.345 -28.305 1.00 0.00 H ATOM 1468 N ARG A 92 -7.235 2.965 -24.067 1.00 13.97 N ATOM 1469 CA ARG A 92 -8.413 3.106 -23.241 1.00 15.33 C ATOM 1470 C ARG A 92 -8.222 4.190 -22.210 1.00 18.68 C ATOM 1471 O ARG A 92 -7.132 4.343 -21.658 1.00 21.94 O ATOM 1472 CB ARG A 92 -8.767 1.779 -22.583 1.00 15.95 C ATOM 1473 CG ARG A 92 -9.462 0.863 -23.586 1.00 23.89 C ATOM 1474 CD ARG A 92 -9.752 -0.478 -23.023 1.00 19.07 C ATOM 1475 NE ARG A 92 -10.638 -1.255 -23.894 1.00 14.94 N ATOM 1476 CZ ARG A 92 -10.788 -2.566 -23.795 1.00 15.14 C ATOM 1477 NH1 ARG A 92 -10.093 -3.236 -22.885 1.00 15.65 N ATOM 1478 NH2 ARG A 92 -11.612 -3.203 -24.611 1.00 14.25 N ATOM 1479 HA ARG A 92 -9.246 3.400 -23.880 1.00 0.00 H ATOM 1480 HB2 ARG A 92 -7.856 1.299 -22.227 1.00 0.00 H ATOM 1481 HB3 ARG A 92 -9.433 1.961 -21.740 1.00 0.00 H ATOM 1482 HG2 ARG A 92 -10.401 1.325 -23.890 1.00 0.00 H ATOM 1483 HG3 ARG A 92 -8.818 0.745 -24.457 1.00 0.00 H ATOM 1484 HD2 ARG A 92 -10.230 -0.357 -22.051 1.00 0.00 H ATOM 1485 HD3 ARG A 92 -8.814 -1.020 -22.900 1.00 0.00 H ATOM 1486 HE ARG A 92 -11.176 -0.751 -24.627 1.00 0.00 H ATOM 1487 HH12 ARG A 92 -10.205 -4.267 -22.800 1.00 0.00 H ATOM 1488 HH11 ARG A 92 -9.436 -2.731 -22.256 1.00 0.00 H ATOM 1489 HH22 ARG A 92 -11.729 -4.233 -24.532 1.00 0.00 H ATOM 1490 HH21 ARG A 92 -12.143 -2.673 -25.332 1.00 0.00 H ATOM 1491 H ARG A 92 -6.332 2.679 -23.637 1.00 0.00 H ATOM 1492 N VAL A 93 -9.282 4.957 -21.983 1.00 14.28 N ATOM 1493 CA VAL A 93 -9.272 5.995 -20.960 1.00 13.69 C ATOM 1494 C VAL A 93 -10.275 5.647 -19.859 1.00 15.87 C ATOM 1495 O VAL A 93 -11.381 5.169 -20.124 1.00 12.90 O ATOM 1496 CB VAL A 93 -9.556 7.384 -21.560 1.00 18.53 C ATOM 1497 CG1 VAL A 93 -8.619 7.642 -22.738 1.00 23.95 C ATOM 1498 CG2 VAL A 93 -10.973 7.498 -22.028 1.00 24.64 C ATOM 1499 HA VAL A 93 -8.275 6.039 -20.522 1.00 0.00 H ATOM 1500 HB VAL A 93 -9.388 8.124 -20.778 1.00 0.00 H ATOM 1501 HG11 VAL A 93 -7.585 7.602 -22.394 1.00 0.00 H ATOM 1502 HG12 VAL A 93 -8.779 6.880 -23.501 1.00 0.00 H ATOM 1503 HG13 VAL A 93 -8.826 8.627 -23.157 1.00 0.00 H ATOM 1504 HG21 VAL A 93 -11.163 6.745 -22.793 1.00 0.00 H ATOM 1505 HG22 VAL A 93 -11.646 7.340 -21.185 1.00 0.00 H ATOM 1506 HG23 VAL A 93 -11.138 8.491 -22.446 1.00 0.00 H ATOM 1507 H VAL A 93 -10.142 4.813 -22.550 1.00 0.00 H ATOM 1508 N VAL A 94 -9.870 5.853 -18.615 1.00 11.16 N ATOM 1509 CA VAL A 94 -10.736 5.563 -17.490 1.00 11.82 C ATOM 1510 C VAL A 94 -11.268 6.893 -16.980 1.00 17.46 C ATOM 1511 O VAL A 94 -10.509 7.713 -16.438 1.00 14.84 O ATOM 1512 CB VAL A 94 -9.967 4.835 -16.385 1.00 13.51 C ATOM 1513 CG1 VAL A 94 -10.879 4.522 -15.225 1.00 12.32 C ATOM 1514 CG2 VAL A 94 -9.344 3.564 -16.934 1.00 16.44 C ATOM 1515 HA VAL A 94 -11.553 4.910 -17.796 1.00 0.00 H ATOM 1516 HB VAL A 94 -9.170 5.486 -16.025 1.00 0.00 H ATOM 1517 HG11 VAL A 94 -11.285 5.450 -14.823 1.00 0.00 H ATOM 1518 HG12 VAL A 94 -11.695 3.886 -15.568 1.00 0.00 H ATOM 1519 HG13 VAL A 94 -10.314 4.005 -14.450 1.00 0.00 H ATOM 1520 HG21 VAL A 94 -10.129 2.911 -17.314 1.00 0.00 H ATOM 1521 HG22 VAL A 94 -8.657 3.817 -17.742 1.00 0.00 H ATOM 1522 HG23 VAL A 94 -8.800 3.055 -16.139 1.00 0.00 H ATOM 1523 H VAL A 94 -8.916 6.229 -18.443 1.00 0.00 H ATOM 1524 N ILE A 95 -12.566 7.125 -17.178 1.00 12.49 N ATOM 1525 CA ILE A 95 -13.168 8.385 -16.776 1.00 12.67 C ATOM 1526 C ILE A 95 -13.727 8.270 -15.360 1.00 12.89 C ATOM 1527 O ILE A 95 -14.590 7.440 -15.095 1.00 12.53 O ATOM 1528 CB ILE A 95 -14.255 8.824 -17.766 1.00 14.18 C ATOM 1529 CG1 ILE A 95 -13.713 8.707 -19.195 1.00 17.66 C ATOM 1530 CG2 ILE A 95 -14.686 10.256 -17.473 1.00 17.83 C ATOM 1531 CD1 ILE A 95 -14.789 8.580 -20.229 1.00 27.93 C ATOM 1532 HA ILE A 95 -12.395 9.153 -16.783 1.00 0.00 H ATOM 1533 HB ILE A 95 -15.127 8.178 -17.660 1.00 0.00 H ATOM 1534 HG12 ILE A 95 -13.124 9.597 -19.416 1.00 0.00 H ATOM 1535 HG13 ILE A 95 -13.073 7.826 -19.251 1.00 0.00 H ATOM 1536 HD11 ILE A 95 -15.381 7.687 -20.028 1.00 0.00 H ATOM 1537 HD12 ILE A 95 -15.432 9.459 -20.192 1.00 0.00 H ATOM 1538 HD13 ILE A 95 -14.335 8.501 -21.217 1.00 0.00 H ATOM 1539 HG21 ILE A 95 -15.081 10.315 -16.459 1.00 0.00 H ATOM 1540 HG22 ILE A 95 -13.826 10.920 -17.568 1.00 0.00 H ATOM 1541 HG23 ILE A 95 -15.457 10.554 -18.183 1.00 0.00 H ATOM 1542 H ILE A 95 -13.155 6.395 -17.626 1.00 0.00 H ATOM 1543 N LEU A 96 -13.190 9.079 -14.448 1.00 12.45 N ATOM 1544 CA LEU A 96 -13.644 9.110 -13.054 1.00 12.14 C ATOM 1545 C LEU A 96 -14.879 9.998 -12.901 1.00 11.82 C ATOM 1546 O LEU A 96 -14.789 11.216 -13.070 1.00 12.59 O ATOM 1547 CB LEU A 96 -12.521 9.635 -12.161 1.00 7.93 C ATOM 1548 CG LEU A 96 -11.235 8.816 -12.293 1.00 11.68 C ATOM 1549 CD1 LEU A 96 -10.131 9.450 -11.477 1.00 11.04 C ATOM 1550 CD2 LEU A 96 -11.493 7.376 -11.850 1.00 16.78 C ATOM 1551 HA LEU A 96 -13.910 8.096 -12.755 1.00 0.00 H ATOM 1552 HB2 LEU A 96 -12.308 10.668 -12.438 1.00 0.00 H ATOM 1553 HB3 LEU A 96 -12.853 9.599 -11.124 1.00 0.00 H ATOM 1554 HG LEU A 96 -10.917 8.802 -13.336 1.00 0.00 H ATOM 1555 HD21 LEU A 96 -11.821 7.370 -10.810 1.00 0.00 H ATOM 1556 HD22 LEU A 96 -12.268 6.937 -12.479 1.00 0.00 H ATOM 1557 HD23 LEU A 96 -10.574 6.798 -11.946 1.00 0.00 H ATOM 1558 HD11 LEU A 96 -9.950 10.463 -11.837 1.00 0.00 H ATOM 1559 HD12 LEU A 96 -10.429 9.484 -10.429 1.00 0.00 H ATOM 1560 HD13 LEU A 96 -9.221 8.859 -11.578 1.00 0.00 H ATOM 1561 H LEU A 96 -12.418 9.714 -14.736 1.00 0.00 H ATOM 1562 N MET A 97 -16.018 9.386 -12.579 1.00 12.92 N ATOM 1563 CA MET A 97 -17.312 10.077 -12.506 1.00 11.73 C ATOM 1564 C MET A 97 -17.677 10.516 -11.097 1.00 15.25 C ATOM 1565 O MET A 97 -18.256 11.587 -10.895 1.00 13.51 O ATOM 1566 CB MET A 97 -18.436 9.177 -13.026 1.00 11.81 C ATOM 1567 CG MET A 97 -18.264 8.700 -14.461 1.00 15.16 C ATOM 1568 SD MET A 97 -18.069 10.040 -15.648 1.00 17.15 S ATOM 1569 CE MET A 97 -19.633 10.890 -15.495 1.00 25.92 C ATOM 1570 HA MET A 97 -17.204 10.966 -13.127 1.00 0.00 H ATOM 1571 HB2 MET A 97 -18.493 8.300 -12.382 1.00 0.00 H ATOM 1572 HB3 MET A 97 -19.371 9.733 -12.964 1.00 0.00 H ATOM 1573 HG2 MET A 97 -19.143 8.118 -14.739 1.00 0.00 H ATOM 1574 HG3 MET A 97 -17.380 8.065 -14.510 1.00 0.00 H ATOM 1575 HE1 MET A 97 -20.443 10.206 -15.748 1.00 0.00 H ATOM 1576 HE2 MET A 97 -19.757 11.239 -14.470 1.00 0.00 H ATOM 1577 HE3 MET A 97 -19.650 11.742 -16.174 1.00 0.00 H ATOM 1578 H MET A 97 -15.989 8.368 -12.369 1.00 0.00 H ATOM 1579 N GLU A 98 -17.378 9.655 -10.131 1.00 9.46 N ATOM 1580 CA GLU A 98 -17.627 9.956 -8.731 1.00 14.79 C ATOM 1581 C GLU A 98 -16.400 9.534 -7.972 1.00 13.12 C ATOM 1582 O GLU A 98 -15.938 8.399 -8.119 1.00 14.56 O ATOM 1583 CB GLU A 98 -18.833 9.180 -8.188 1.00 10.16 C ATOM 1584 CG GLU A 98 -20.155 9.697 -8.695 1.00 14.91 C ATOM 1585 CD GLU A 98 -21.332 9.004 -8.048 1.00 22.07 C ATOM 1586 OE1 GLU A 98 -21.114 8.009 -7.315 1.00 23.68 O ATOM 1587 OE2 GLU A 98 -22.468 9.462 -8.277 1.00 28.55 O ATOM 1588 HA GLU A 98 -17.842 11.019 -8.620 1.00 0.00 H ATOM 1589 HB2 GLU A 98 -18.734 8.136 -8.484 1.00 0.00 H ATOM 1590 HB3 GLU A 98 -18.828 9.250 -7.100 1.00 0.00 H ATOM 1591 HG2 GLU A 98 -20.218 10.765 -8.484 1.00 0.00 H ATOM 1592 HG3 GLU A 98 -20.204 9.538 -9.772 1.00 0.00 H ATOM 1593 H GLU A 98 -16.954 8.740 -10.383 1.00 0.00 H ATOM 1594 N LEU A 99 -15.867 10.431 -7.154 1.00 9.63 N ATOM 1595 CA LEU A 99 -14.769 10.024 -6.288 1.00 14.09 C ATOM 1596 C LEU A 99 -14.777 10.711 -4.935 1.00 18.31 C ATOM 1597 O LEU A 99 -15.288 11.820 -4.772 1.00 15.19 O ATOM 1598 CB LEU A 99 -13.416 10.125 -6.998 1.00 18.31 C ATOM 1599 CG LEU A 99 -12.633 11.418 -7.207 1.00 17.46 C ATOM 1600 CD1 LEU A 99 -11.979 11.929 -5.904 1.00 16.08 C ATOM 1601 CD2 LEU A 99 -11.565 11.178 -8.281 1.00 17.34 C ATOM 1602 HA LEU A 99 -14.933 8.969 -6.068 1.00 0.00 H ATOM 1603 HB2 LEU A 99 -12.747 9.466 -6.445 1.00 0.00 H ATOM 1604 HB3 LEU A 99 -13.580 9.719 -7.996 1.00 0.00 H ATOM 1605 HG LEU A 99 -13.330 12.192 -7.529 1.00 0.00 H ATOM 1606 HD21 LEU A 99 -10.892 10.386 -7.952 1.00 0.00 H ATOM 1607 HD22 LEU A 99 -12.048 10.882 -9.212 1.00 0.00 H ATOM 1608 HD23 LEU A 99 -10.998 12.096 -8.439 1.00 0.00 H ATOM 1609 HD11 LEU A 99 -12.753 12.121 -5.161 1.00 0.00 H ATOM 1610 HD12 LEU A 99 -11.289 11.175 -5.525 1.00 0.00 H ATOM 1611 HD13 LEU A 99 -11.435 12.851 -6.109 1.00 0.00 H ATOM 1612 H LEU A 99 -16.226 11.407 -7.131 1.00 0.00 H ATOM 1613 N GLU A 100 -14.218 10.019 -3.955 1.00 14.78 N ATOM 1614 CA GLU A 100 -14.173 10.524 -2.606 1.00 13.51 C ATOM 1615 C GLU A 100 -12.708 10.625 -2.208 1.00 16.97 C ATOM 1616 O GLU A 100 -11.958 9.691 -2.419 1.00 15.66 O ATOM 1617 CB GLU A 100 -14.895 9.547 -1.685 1.00 14.26 C ATOM 1618 CG GLU A 100 -14.611 9.777 -0.226 1.00 17.74 C ATOM 1619 CD GLU A 100 -15.316 8.773 0.660 1.00 14.40 C ATOM 1620 OE1 GLU A 100 -15.314 8.989 1.887 1.00 16.31 O ATOM 1621 OE2 GLU A 100 -15.868 7.776 0.131 1.00 12.38 O ATOM 1622 HA GLU A 100 -14.656 11.499 -2.532 1.00 0.00 H ATOM 1623 HB2 GLU A 100 -15.968 9.647 -1.848 1.00 0.00 H ATOM 1624 HB3 GLU A 100 -14.583 8.535 -1.942 1.00 0.00 H ATOM 1625 HG2 GLU A 100 -13.537 9.698 -0.061 1.00 0.00 H ATOM 1626 HG3 GLU A 100 -14.946 10.779 0.043 1.00 0.00 H ATOM 1627 H GLU A 100 -13.802 9.089 -4.163 1.00 0.00 H ATOM 1628 N VAL A 101 -12.289 11.763 -1.667 1.00 12.59 N ATOM 1629 CA VAL A 101 -10.928 11.875 -1.161 1.00 10.71 C ATOM 1630 C VAL A 101 -10.944 11.369 0.263 1.00 12.77 C ATOM 1631 O VAL A 101 -11.600 11.960 1.123 1.00 16.08 O ATOM 1632 CB VAL A 101 -10.419 13.333 -1.216 1.00 13.39 C ATOM 1633 CG1 VAL A 101 -9.009 13.423 -0.658 1.00 13.68 C ATOM 1634 CG2 VAL A 101 -10.453 13.834 -2.640 1.00 15.25 C ATOM 1635 HA VAL A 101 -10.248 11.288 -1.778 1.00 0.00 H ATOM 1636 HB VAL A 101 -11.071 13.958 -0.605 1.00 0.00 H ATOM 1637 HG11 VAL A 101 -9.007 13.085 0.378 1.00 0.00 H ATOM 1638 HG12 VAL A 101 -8.345 12.792 -1.249 1.00 0.00 H ATOM 1639 HG13 VAL A 101 -8.667 14.457 -0.704 1.00 0.00 H ATOM 1640 HG21 VAL A 101 -9.814 13.205 -3.260 1.00 0.00 H ATOM 1641 HG22 VAL A 101 -11.476 13.795 -3.013 1.00 0.00 H ATOM 1642 HG23 VAL A 101 -10.093 14.862 -2.671 1.00 0.00 H ATOM 1643 H VAL A 101 -12.934 12.576 -1.604 1.00 0.00 H ATOM 1644 N LEU A 102 -10.261 10.251 0.512 1.00 12.88 N ATOM 1645 CA LEU A 102 -10.242 9.637 1.840 1.00 10.32 C ATOM 1646 C LEU A 102 -9.197 10.281 2.745 1.00 14.07 C ATOM 1647 O LEU A 102 -9.410 10.427 3.941 1.00 11.08 O ATOM 1648 CB LEU A 102 -9.949 8.143 1.736 1.00 12.84 C ATOM 1649 CG LEU A 102 -10.959 7.274 0.990 1.00 11.86 C ATOM 1650 CD1 LEU A 102 -10.456 5.829 0.945 1.00 12.25 C ATOM 1651 CD2 LEU A 102 -12.314 7.364 1.655 1.00 17.46 C ATOM 1652 HA LEU A 102 -11.228 9.794 2.276 1.00 0.00 H ATOM 1653 HB2 LEU A 102 -8.989 8.033 1.232 1.00 0.00 H ATOM 1654 HB3 LEU A 102 -9.871 7.754 2.751 1.00 0.00 H ATOM 1655 HG LEU A 102 -11.066 7.633 -0.034 1.00 0.00 H ATOM 1656 HD21 LEU A 102 -12.235 7.017 2.685 1.00 0.00 H ATOM 1657 HD22 LEU A 102 -12.655 8.399 1.644 1.00 0.00 H ATOM 1658 HD23 LEU A 102 -13.025 6.740 1.114 1.00 0.00 H ATOM 1659 HD11 LEU A 102 -9.496 5.796 0.429 1.00 0.00 H ATOM 1660 HD12 LEU A 102 -10.336 5.455 1.962 1.00 0.00 H ATOM 1661 HD13 LEU A 102 -11.178 5.211 0.412 1.00 0.00 H ATOM 1662 H LEU A 102 -9.727 9.803 -0.260 1.00 0.00 H ATOM 1663 N LYS A 103 -8.059 10.659 2.172 1.00 12.41 N ATOM 1664 CA LYS A 103 -7.006 11.320 2.936 1.00 8.97 C ATOM 1665 C LYS A 103 -6.370 12.402 2.086 1.00 14.60 C ATOM 1666 O LYS A 103 -6.052 12.164 0.920 1.00 10.41 O ATOM 1667 CB LYS A 103 -5.935 10.315 3.395 1.00 13.17 C ATOM 1668 CG LYS A 103 -6.338 9.440 4.575 1.00 30.65 C ATOM 1669 CD LYS A 103 -5.148 8.664 5.160 1.00 25.55 C ATOM 1670 CE LYS A 103 -4.235 9.564 5.983 1.00 36.38 C ATOM 1671 NZ LYS A 103 -4.925 10.103 7.188 1.00 27.69 N ATOM 1672 HA LYS A 103 -7.452 11.764 3.826 1.00 0.00 H ATOM 1673 HB2 LYS A 103 -5.701 9.662 2.554 1.00 0.00 H ATOM 1674 HB3 LYS A 103 -5.044 10.875 3.678 1.00 0.00 H ATOM 1675 HG2 LYS A 103 -6.760 10.075 5.354 1.00 0.00 H ATOM 1676 HG3 LYS A 103 -7.092 8.727 4.241 1.00 0.00 H ATOM 1677 HD2 LYS A 103 -5.527 7.866 5.799 1.00 0.00 H ATOM 1678 HD3 LYS A 103 -4.573 8.231 4.342 1.00 0.00 H ATOM 1679 HE2 LYS A 103 -3.908 10.398 5.361 1.00 0.00 H ATOM 1680 HE3 LYS A 103 -3.366 8.988 6.302 1.00 0.00 H ATOM 1681 HZ1 LYS A 103 -5.752 10.660 6.892 1.00 0.00 H ATOM 1682 HZ2 LYS A 103 -5.235 9.314 7.791 1.00 0.00 H ATOM 1683 HZ3 LYS A 103 -4.269 10.710 7.719 1.00 0.00 H ATOM 1684 H LYS A 103 -7.916 10.480 1.158 1.00 0.00 H ATOM 1685 N SER A 104 -6.180 13.591 2.658 1.00 10.49 N ATOM 1686 CA SER A 104 -5.664 14.712 1.870 1.00 8.09 C ATOM 1687 C SER A 104 -4.209 14.471 1.517 1.00 10.99 C ATOM 1688 O SER A 104 -3.523 13.706 2.201 1.00 12.73 O ATOM 1689 CB SER A 104 -5.770 16.008 2.661 1.00 16.98 C ATOM 1690 OG SER A 104 -4.804 16.000 3.691 1.00 15.88 O ATOM 1691 HA SER A 104 -6.257 14.793 0.959 1.00 0.00 H ATOM 1692 HB2 SER A 104 -6.766 16.091 3.095 1.00 0.00 H ATOM 1693 HB3 SER A 104 -5.592 16.856 1.999 1.00 0.00 H ATOM 1694 HG SER A 104 -4.869 16.841 4.209 1.00 0.00 H ATOM 1695 H SER A 104 -6.399 13.723 3.666 1.00 0.00 H ATOM 1696 N ALA A 105 -3.746 15.119 0.449 1.00 9.55 N ATOM 1697 CA ALA A 105 -2.347 15.065 0.058 1.00 13.38 C ATOM 1698 C ALA A 105 -1.455 15.404 1.247 1.00 11.67 C ATOM 1699 O ALA A 105 -0.445 14.759 1.467 1.00 13.70 O ATOM 1700 CB ALA A 105 -2.080 16.027 -1.076 1.00 12.05 C ATOM 1701 HA ALA A 105 -2.121 14.053 -0.279 1.00 0.00 H ATOM 1702 HB1 ALA A 105 -2.699 15.759 -1.932 1.00 0.00 H ATOM 1703 HB2 ALA A 105 -2.321 17.041 -0.755 1.00 0.00 H ATOM 1704 HB3 ALA A 105 -1.028 15.974 -1.356 1.00 0.00 H ATOM 1705 H ALA A 105 -4.407 15.682 -0.124 1.00 0.00 H ATOM 1706 N GLU A 106 -1.855 16.414 2.011 1.00 12.66 N ATOM 1707 CA GLU A 106 -1.072 16.883 3.152 1.00 13.96 C ATOM 1708 C GLU A 106 -1.021 15.837 4.261 1.00 13.33 C ATOM 1709 O GLU A 106 -0.004 15.691 4.930 1.00 15.72 O ATOM 1710 CB GLU A 106 -1.625 18.220 3.690 1.00 16.22 C ATOM 1711 CG GLU A 106 -1.478 19.409 2.724 1.00 20.42 C ATOM 1712 CD GLU A 106 -2.466 19.374 1.571 1.00 21.82 C ATOM 1713 OE1 GLU A 106 -3.555 18.795 1.749 1.00 15.10 O ATOM 1714 OE2 GLU A 106 -2.149 19.916 0.484 1.00 21.42 O ATOM 1715 HA GLU A 106 -0.053 17.049 2.803 1.00 0.00 H ATOM 1716 HB2 GLU A 106 -2.685 18.087 3.907 1.00 0.00 H ATOM 1717 HB3 GLU A 106 -1.094 18.462 4.611 1.00 0.00 H ATOM 1718 HG2 GLU A 106 -1.633 20.331 3.284 1.00 0.00 H ATOM 1719 HG3 GLU A 106 -0.468 19.399 2.314 1.00 0.00 H ATOM 1720 H GLU A 106 -2.755 16.886 1.790 1.00 0.00 H ATOM 1721 N ALA A 107 -2.108 15.094 4.445 1.00 15.28 N ATOM 1722 CA ALA A 107 -2.143 14.074 5.489 1.00 13.83 C ATOM 1723 C ALA A 107 -1.386 12.799 5.088 1.00 16.02 C ATOM 1724 O ALA A 107 -0.989 12.010 5.942 1.00 19.20 O ATOM 1725 CB ALA A 107 -3.585 13.746 5.878 1.00 13.88 C ATOM 1726 HA ALA A 107 -1.631 14.490 6.357 1.00 0.00 H ATOM 1727 HB1 ALA A 107 -4.074 14.647 6.249 1.00 0.00 H ATOM 1728 HB2 ALA A 107 -4.120 13.374 5.004 1.00 0.00 H ATOM 1729 HB3 ALA A 107 -3.585 12.984 6.657 1.00 0.00 H ATOM 1730 H ALA A 107 -2.941 15.241 3.840 1.00 0.00 H ATOM 1731 N VAL A 108 -1.191 12.598 3.786 1.00 13.86 N ATOM 1732 CA VAL A 108 -0.458 11.431 3.294 1.00 11.71 C ATOM 1733 C VAL A 108 1.009 11.809 3.028 1.00 11.92 C ATOM 1734 O VAL A 108 1.930 11.182 3.558 1.00 17.77 O ATOM 1735 CB VAL A 108 -1.098 10.862 2.001 1.00 10.56 C ATOM 1736 CG1 VAL A 108 -0.397 9.595 1.569 1.00 10.23 C ATOM 1737 CG2 VAL A 108 -2.579 10.577 2.229 1.00 12.31 C ATOM 1738 HA VAL A 108 -0.504 10.658 4.061 1.00 0.00 H ATOM 1739 HB VAL A 108 -0.991 11.607 1.212 1.00 0.00 H ATOM 1740 HG11 VAL A 108 0.654 9.810 1.377 1.00 0.00 H ATOM 1741 HG12 VAL A 108 -0.478 8.849 2.360 1.00 0.00 H ATOM 1742 HG13 VAL A 108 -0.864 9.215 0.660 1.00 0.00 H ATOM 1743 HG21 VAL A 108 -2.688 9.849 3.033 1.00 0.00 H ATOM 1744 HG22 VAL A 108 -3.088 11.501 2.503 1.00 0.00 H ATOM 1745 HG23 VAL A 108 -3.016 10.178 1.314 1.00 0.00 H ATOM 1746 H VAL A 108 -1.568 13.286 3.103 1.00 0.00 H ATOM 1747 N GLY A 109 1.226 12.821 2.193 1.00 11.66 N ATOM 1748 CA GLY A 109 2.540 13.448 2.091 1.00 16.91 C ATOM 1749 C GLY A 109 3.607 12.798 1.223 1.00 15.12 C ATOM 1750 O GLY A 109 4.597 13.440 0.886 1.00 10.99 O ATOM 1751 HA3 GLY A 109 2.944 13.508 3.102 1.00 0.00 H ATOM 1752 HA2 GLY A 109 2.384 14.455 1.704 1.00 0.00 H ATOM 1753 H GLY A 109 0.445 13.172 1.602 1.00 0.00 H ATOM 1754 N VAL A 110 3.433 11.526 0.869 1.00 13.85 N ATOM 1755 CA VAL A 110 4.441 10.806 0.086 1.00 13.94 C ATOM 1756 C VAL A 110 3.766 9.820 -0.862 1.00 12.42 C ATOM 1757 O VAL A 110 2.636 9.384 -0.612 1.00 11.66 O ATOM 1758 CB VAL A 110 5.371 9.948 0.999 1.00 15.65 C ATOM 1759 CG1 VAL A 110 6.128 10.808 1.996 1.00 17.38 C ATOM 1760 CG2 VAL A 110 4.551 8.922 1.733 1.00 21.24 C ATOM 1761 HA VAL A 110 5.015 11.563 -0.449 1.00 0.00 H ATOM 1762 HB VAL A 110 6.104 9.453 0.362 1.00 0.00 H ATOM 1763 HG11 VAL A 110 6.744 11.529 1.458 1.00 0.00 H ATOM 1764 HG12 VAL A 110 5.417 11.338 2.630 1.00 0.00 H ATOM 1765 HG13 VAL A 110 6.764 10.173 2.613 1.00 0.00 H ATOM 1766 HG21 VAL A 110 3.805 9.427 2.347 1.00 0.00 H ATOM 1767 HG22 VAL A 110 4.052 8.274 1.012 1.00 0.00 H ATOM 1768 HG23 VAL A 110 5.204 8.325 2.370 1.00 0.00 H ATOM 1769 H VAL A 110 2.563 11.033 1.154 1.00 0.00 H ATOM 1770 N LYS A 111 4.460 9.463 -1.941 1.00 11.45 N ATOM 1771 CA LYS A 111 4.032 8.345 -2.783 1.00 11.46 C ATOM 1772 C LYS A 111 4.150 7.055 -1.993 1.00 15.03 C ATOM 1773 O LYS A 111 5.188 6.773 -1.390 1.00 13.73 O ATOM 1774 CB LYS A 111 4.881 8.232 -4.059 1.00 18.33 C ATOM 1775 CG LYS A 111 4.544 6.977 -4.880 1.00 19.48 C ATOM 1776 CD LYS A 111 5.198 6.950 -6.261 1.00 22.97 C ATOM 1777 CE LYS A 111 6.685 6.689 -6.164 1.00 25.12 C ATOM 1778 NZ LYS A 111 7.275 6.459 -7.524 1.00 22.82 N ATOM 1779 HA LYS A 111 2.999 8.524 -3.081 1.00 0.00 H ATOM 1780 HB2 LYS A 111 4.703 9.112 -4.677 1.00 0.00 H ATOM 1781 HB3 LYS A 111 5.933 8.194 -3.777 1.00 0.00 H ATOM 1782 HG2 LYS A 111 4.879 6.102 -4.324 1.00 0.00 H ATOM 1783 HG3 LYS A 111 3.463 6.931 -5.010 1.00 0.00 H ATOM 1784 HD2 LYS A 111 4.738 6.161 -6.856 1.00 0.00 H ATOM 1785 HD3 LYS A 111 5.038 7.912 -6.748 1.00 0.00 H ATOM 1786 HE2 LYS A 111 6.854 5.806 -5.547 1.00 0.00 H ATOM 1787 HE3 LYS A 111 7.170 7.550 -5.705 1.00 0.00 H ATOM 1788 HZ1 LYS A 111 6.817 5.635 -7.964 1.00 0.00 H ATOM 1789 HZ2 LYS A 111 7.119 7.301 -8.115 1.00 0.00 H ATOM 1790 HZ3 LYS A 111 8.296 6.282 -7.432 1.00 0.00 H ATOM 1791 H LYS A 111 5.322 9.988 -2.190 1.00 0.00 H ATOM 1792 N ILE A 112 3.077 6.276 -1.998 1.00 10.79 N ATOM 1793 CA ILE A 112 3.008 5.050 -1.219 1.00 11.44 C ATOM 1794 C ILE A 112 3.587 3.894 -2.026 1.00 13.66 C ATOM 1795 O ILE A 112 3.263 3.727 -3.206 1.00 11.32 O ATOM 1796 CB ILE A 112 1.541 4.760 -0.806 1.00 10.04 C ATOM 1797 CG1 ILE A 112 1.073 5.779 0.237 1.00 10.97 C ATOM 1798 CG2 ILE A 112 1.389 3.352 -0.259 1.00 11.66 C ATOM 1799 CD1 ILE A 112 -0.436 5.803 0.433 1.00 12.21 C ATOM 1800 HA ILE A 112 3.598 5.166 -0.310 1.00 0.00 H ATOM 1801 HB ILE A 112 0.920 4.846 -1.698 1.00 0.00 H ATOM 1802 HG12 ILE A 112 1.541 5.535 1.191 1.00 0.00 H ATOM 1803 HG13 ILE A 112 1.395 6.771 -0.081 1.00 0.00 H ATOM 1804 HD11 ILE A 112 -0.920 6.057 -0.510 1.00 0.00 H ATOM 1805 HD12 ILE A 112 -0.774 4.821 0.763 1.00 0.00 H ATOM 1806 HD13 ILE A 112 -0.691 6.548 1.186 1.00 0.00 H ATOM 1807 HG21 ILE A 112 1.683 2.633 -1.024 1.00 0.00 H ATOM 1808 HG22 ILE A 112 2.026 3.233 0.617 1.00 0.00 H ATOM 1809 HG23 ILE A 112 0.349 3.182 0.021 1.00 0.00 H ATOM 1810 H ILE A 112 2.258 6.551 -2.578 1.00 0.00 H ATOM 1811 N GLY A 113 4.465 3.121 -1.392 1.00 12.69 N ATOM 1812 CA GLY A 113 5.078 1.965 -2.025 1.00 14.81 C ATOM 1813 C GLY A 113 5.934 2.299 -3.229 1.00 18.67 C ATOM 1814 O GLY A 113 6.385 3.436 -3.411 1.00 16.62 O ATOM 1815 HA3 GLY A 113 4.285 1.290 -2.346 1.00 0.00 H ATOM 1816 HA2 GLY A 113 5.705 1.463 -1.288 1.00 0.00 H ATOM 1817 H GLY A 113 4.721 3.352 -0.411 1.00 0.00 H ATOM 1818 N ASN A 114 6.149 1.294 -4.066 1.00 16.83 N ATOM 1819 CA ASN A 114 6.911 1.475 -5.292 1.00 18.13 C ATOM 1820 C ASN A 114 6.193 0.894 -6.503 1.00 15.93 C ATOM 1821 O ASN A 114 6.674 -0.046 -7.138 1.00 19.17 O ATOM 1822 CB ASN A 114 8.312 0.887 -5.142 1.00 22.82 C ATOM 1823 CG ASN A 114 9.122 1.604 -4.079 1.00 23.53 C ATOM 1824 OD1 ASN A 114 9.793 2.596 -4.357 1.00 27.31 O ATOM 1825 ND2 ASN A 114 9.034 1.121 -2.846 1.00 27.43 N ATOM 1826 HA ASN A 114 7.004 2.547 -5.467 1.00 0.00 H ATOM 1827 HB2 ASN A 114 8.225 -0.164 -4.868 1.00 0.00 H ATOM 1828 HB3 ASN A 114 8.832 0.970 -6.096 1.00 0.00 H ATOM 1829 HD22 ASN A 114 8.454 0.279 -2.658 1.00 0.00 H ATOM 1830 HD21 ASN A 114 9.545 1.585 -2.068 1.00 0.00 H ATOM 1831 H ASN A 114 5.764 0.354 -3.841 1.00 0.00 H ATOM 1832 N PRO A 115 5.028 1.471 -6.836 1.00 14.49 N ATOM 1833 CA PRO A 115 4.245 0.983 -7.972 1.00 11.07 C ATOM 1834 C PRO A 115 5.014 1.111 -9.291 1.00 14.55 C ATOM 1835 O PRO A 115 5.796 2.043 -9.451 1.00 14.22 O ATOM 1836 CB PRO A 115 3.025 1.910 -7.971 1.00 11.63 C ATOM 1837 CG PRO A 115 3.516 3.176 -7.337 1.00 10.85 C ATOM 1838 CD PRO A 115 4.471 2.723 -6.275 1.00 13.12 C ATOM 1839 HA PRO A 115 3.996 -0.075 -7.885 1.00 0.00 H ATOM 1840 HD3 PRO A 115 5.255 3.462 -6.112 1.00 0.00 H ATOM 1841 HD2 PRO A 115 3.951 2.534 -5.336 1.00 0.00 H ATOM 1842 HG3 PRO A 115 2.688 3.733 -6.898 1.00 0.00 H ATOM 1843 HG2 PRO A 115 4.025 3.802 -8.070 1.00 0.00 H ATOM 1844 HB2 PRO A 115 2.682 2.096 -8.989 1.00 0.00 H ATOM 1845 HB3 PRO A 115 2.212 1.477 -7.388 1.00 0.00 H ATOM 1846 N VAL A 116 4.802 0.182 -10.219 1.00 18.64 N ATOM 1847 CA VAL A 116 5.441 0.266 -11.531 1.00 17.42 C ATOM 1848 C VAL A 116 4.407 0.540 -12.600 1.00 12.68 C ATOM 1849 O VAL A 116 3.258 0.109 -12.476 1.00 14.89 O ATOM 1850 CB VAL A 116 6.200 -1.031 -11.898 1.00 21.95 C ATOM 1851 CG1 VAL A 116 7.305 -1.305 -10.881 1.00 27.37 C ATOM 1852 CG2 VAL A 116 5.249 -2.200 -11.978 1.00 21.32 C ATOM 1853 HA VAL A 116 6.161 1.083 -11.478 1.00 0.00 H ATOM 1854 HB VAL A 116 6.658 -0.898 -12.878 1.00 0.00 H ATOM 1855 HG11 VAL A 116 8.007 -0.471 -10.875 1.00 0.00 H ATOM 1856 HG12 VAL A 116 6.865 -1.418 -9.890 1.00 0.00 H ATOM 1857 HG13 VAL A 116 7.829 -2.221 -11.154 1.00 0.00 H ATOM 1858 HG21 VAL A 116 4.762 -2.337 -11.013 1.00 0.00 H ATOM 1859 HG22 VAL A 116 4.497 -2.003 -12.742 1.00 0.00 H ATOM 1860 HG23 VAL A 116 5.804 -3.101 -12.237 1.00 0.00 H ATOM 1861 H VAL A 116 4.171 -0.617 -10.008 1.00 0.00 H ATOM 1862 N PRO A 117 4.805 1.252 -13.660 1.00 14.53 N ATOM 1863 CA PRO A 117 3.850 1.601 -14.707 1.00 14.16 C ATOM 1864 C PRO A 117 3.187 0.375 -15.296 1.00 19.83 C ATOM 1865 O PRO A 117 3.855 -0.599 -15.637 1.00 21.97 O ATOM 1866 CB PRO A 117 4.721 2.289 -15.755 1.00 24.22 C ATOM 1867 CG PRO A 117 5.843 2.854 -14.971 1.00 17.09 C ATOM 1868 CD PRO A 117 6.129 1.853 -13.908 1.00 18.45 C ATOM 1869 HA PRO A 117 3.035 2.222 -14.336 1.00 0.00 H ATOM 1870 HD3 PRO A 117 6.842 1.105 -14.255 1.00 0.00 H ATOM 1871 HD2 PRO A 117 6.517 2.334 -13.010 1.00 0.00 H ATOM 1872 HG3 PRO A 117 5.557 3.808 -14.529 1.00 0.00 H ATOM 1873 HG2 PRO A 117 6.718 2.997 -15.606 1.00 0.00 H ATOM 1874 HB2 PRO A 117 5.084 1.571 -16.490 1.00 0.00 H ATOM 1875 HB3 PRO A 117 4.167 3.078 -16.263 1.00 0.00 H ATOM 1876 N TYR A 118 1.865 0.420 -15.373 1.00 15.98 N ATOM 1877 CA TYR A 118 1.119 -0.617 -16.043 1.00 17.16 C ATOM 1878 C TYR A 118 1.255 -0.356 -17.541 1.00 19.44 C ATOM 1879 O TYR A 118 1.127 0.770 -17.994 1.00 22.15 O ATOM 1880 CB TYR A 118 -0.349 -0.564 -15.634 1.00 16.07 C ATOM 1881 CG TYR A 118 -1.126 -1.749 -16.125 1.00 16.80 C ATOM 1882 CD1 TYR A 118 -1.168 -2.919 -15.389 1.00 18.09 C ATOM 1883 CD2 TYR A 118 -1.801 -1.707 -17.338 1.00 20.43 C ATOM 1884 CE1 TYR A 118 -1.870 -4.014 -15.839 1.00 21.80 C ATOM 1885 CE2 TYR A 118 -2.506 -2.797 -17.795 1.00 19.90 C ATOM 1886 CZ TYR A 118 -2.530 -3.946 -17.043 1.00 24.10 C ATOM 1887 OH TYR A 118 -3.222 -5.040 -17.490 1.00 27.97 O ATOM 1888 HA TYR A 118 1.499 -1.603 -15.778 1.00 0.00 H ATOM 1889 HB3 TYR A 118 -0.794 0.341 -16.046 1.00 0.00 H ATOM 1890 HB2 TYR A 118 -0.408 -0.534 -14.546 1.00 0.00 H ATOM 1891 HD2 TYR A 118 -1.772 -0.797 -17.937 1.00 0.00 H ATOM 1892 HE2 TYR A 118 -3.040 -2.749 -18.744 1.00 0.00 H ATOM 1893 HE1 TYR A 118 -1.902 -4.928 -15.246 1.00 0.00 H ATOM 1894 HD1 TYR A 118 -0.637 -2.975 -14.439 1.00 0.00 H ATOM 1895 HH TYR A 118 -2.852 -5.330 -18.361 1.00 0.00 H ATOM 1896 H TYR A 118 1.356 1.218 -14.942 1.00 0.00 H ATOM 1897 N ASN A 119 1.530 -1.390 -18.315 1.00 21.65 N ATOM 1898 CA ASN A 119 1.600 -1.188 -19.753 1.00 26.38 C ATOM 1899 C ASN A 119 0.408 -1.818 -20.460 1.00 31.70 C ATOM 1900 O ASN A 119 0.331 -3.045 -20.555 1.00 30.80 O ATOM 1901 CB ASN A 119 2.905 -1.754 -20.314 1.00 41.62 C ATOM 1902 CG ASN A 119 4.121 -0.930 -19.922 1.00 30.31 C ATOM 1903 OD1 ASN A 119 4.153 0.294 -20.096 1.00 38.55 O ATOM 1904 ND2 ASN A 119 5.133 -1.603 -19.387 1.00 34.95 N ATOM 1905 HA ASN A 119 1.574 -0.114 -19.937 1.00 0.00 H ATOM 1906 HB2 ASN A 119 3.035 -2.769 -19.937 1.00 0.00 H ATOM 1907 HB3 ASN A 119 2.836 -1.778 -21.402 1.00 0.00 H ATOM 1908 HD22 ASN A 119 5.063 -2.633 -19.259 1.00 0.00 H ATOM 1909 HD21 ASN A 119 5.996 -1.100 -19.096 1.00 0.00 H ATOM 1910 H ASN A 119 1.693 -2.331 -17.904 1.00 0.00 H ATOM 1911 N GLU A 120 -0.526 -0.981 -20.920 1.00 23.58 N ATOM 1912 CA GLU A 120 -1.653 -1.454 -21.736 1.00 32.37 C ATOM 1913 C GLU A 120 -2.383 -2.658 -21.139 1.00 30.71 C ATOM 1914 O GLU A 120 -3.594 -2.846 -21.340 1.00 42.23 O ATOM 1915 CB GLU A 120 -1.183 -1.793 -23.156 1.00 28.96 C ATOM 1916 CG GLU A 120 -0.767 -0.586 -23.970 1.00 26.89 C ATOM 1917 CD GLU A 120 -1.810 0.516 -23.935 1.00 30.54 C ATOM 1918 OE1 GLU A 120 -2.865 0.369 -24.590 1.00 22.35 O ATOM 1919 OE2 GLU A 120 -1.581 1.527 -23.238 1.00 29.71 O ATOM 1920 HA GLU A 120 -2.367 -0.631 -21.760 1.00 0.00 H ATOM 1921 HB2 GLU A 120 -0.331 -2.469 -23.083 1.00 0.00 H ATOM 1922 HB3 GLU A 120 -1.999 -2.294 -23.677 1.00 0.00 H ATOM 1923 HG2 GLU A 120 0.169 -0.197 -23.569 1.00 0.00 H ATOM 1924 HG3 GLU A 120 -0.617 -0.895 -25.004 1.00 0.00 H ATOM 1925 H GLU A 120 -0.454 0.032 -20.695 1.00 0.00 H TER 1926 GLU A 120 HETATM 1927 O HOH 1 -3.723 -3.585 -0.194 1.00 10.71 O HETATM 1928 O HOH 2 1.475 4.890 -4.619 1.00 11.36 O HETATM 1929 O HOH 3 -11.680 16.991 -16.262 1.00 12.95 O HETATM 1930 O HOH 4 -2.669 -3.518 -10.624 1.00 14.31 O HETATM 1931 O HOH 5 -18.116 2.226 -11.592 1.00 19.49 O HETATM 1932 O HOH 6 -7.033 13.878 5.309 1.00 16.65 O HETATM 1933 O HOH 7 -5.403 16.717 -1.384 1.00 14.81 O HETATM 1934 O HOH 8 1.984 4.811 -15.307 1.00 19.43 O HETATM 1935 O HOH 9 -7.311 7.568 -31.398 1.00 16.46 O HETATM 1936 O HOH 10 -0.032 17.446 -9.694 1.00 25.36 O HETATM 1937 O HOH 11 -13.567 5.821 -29.890 1.00 16.15 O HETATM 1938 O HOH 12 1.523 16.039 -0.058 1.00 19.66 O HETATM 1939 O HOH 13 -15.260 27.125 -2.412 1.00 18.35 O HETATM 1940 O HOH 14 1.423 14.174 6.572 1.00 20.82 O HETATM 1941 O HOH 15 -5.682 -7.893 -10.290 1.00 18.39 O HETATM 1942 O HOH 16 1.731 3.118 -17.410 1.00 19.01 O HETATM 1943 O HOH 17 -13.547 23.622 -1.273 1.00 19.97 O HETATM 1944 O HOH 18 -6.008 -0.546 -24.832 1.00 19.43 O HETATM 1945 O HOH 19 -1.651 18.249 -7.606 1.00 17.42 O HETATM 1946 O HOH 20 -2.932 -5.237 -26.371 1.00 25.31 O HETATM 1947 O HOH 21 -8.024 -2.477 -20.940 1.00 25.60 O HETATM 1948 O HOH 22 7.399 3.855 -7.655 1.00 28.82 O HETATM 1949 O HOH 23 -13.950 10.962 3.132 1.00 19.65 O HETATM 1950 O HOH 24 5.035 7.248 -10.383 1.00 23.29 O HETATM 1951 O HOH 25 -0.648 4.453 -18.449 1.00 22.87 O HETATM 1952 O HOH 26 7.555 6.219 -2.556 1.00 25.67 O HETATM 1953 O HOH 27 -2.412 -0.431 5.809 1.00 26.79 O HETATM 1954 O HOH 28 -10.541 -1.962 -19.565 1.00 28.77 O HETATM 1955 O HOH 29 -3.941 -6.962 -23.591 1.00 23.20 O HETATM 1956 O HOH 30 4.774 5.552 -12.428 1.00 23.56 O HETATM 1957 O HOH 31 -0.933 -6.337 -11.630 1.00 22.49 O HETATM 1958 O HOH 32 -8.744 16.901 0.530 1.00 28.73 O HETATM 1959 O HOH 33 -18.751 8.032 1.178 1.00 26.39 O HETATM 1960 O HOH 34 3.541 6.606 -16.702 1.00 25.84 O HETATM 1961 O HOH 35 7.332 10.262 -1.651 1.00 27.03 O HETATM 1962 O HOH 36 -14.321 -11.632 -15.610 1.00 35.86 O HETATM 1963 O HOH 37 -17.773 1.762 -9.057 1.00 34.38 O HETATM 1964 O HOH 38 -0.595 13.521 8.795 1.00 26.00 O HETATM 1965 O HOH 39 2.255 -4.933 -14.291 1.00 25.64 O HETATM 1966 O HOH 40 -5.273 20.001 -7.124 1.00 21.56 O HETATM 1967 O HOH 41 -5.649 -5.045 -23.292 1.00 25.56 O HETATM 1968 O HOH 42 -6.689 7.980 -33.990 1.00 25.88 O HETATM 1969 O HOH 43 6.579 -0.969 -16.300 1.00 25.30 O HETATM 1970 O HOH 44 -0.833 -7.404 -14.246 1.00 31.90 O HETATM 1971 O HOH 45 -3.897 -4.952 -19.668 1.00 26.97 O HETATM 1972 O HOH 46 -7.477 7.103 -36.732 1.00 32.57 O HETATM 1973 O HOH 47 -1.251 13.266 -14.863 1.00 23.35 O HETATM 1974 O HOH 48 -7.445 26.829 -8.815 1.00 30.58 O HETATM 1975 O HOH 49 -7.743 -5.989 -21.720 1.00 30.80 O HETATM 1976 O HOH 50 -10.369 -5.879 -22.309 1.00 21.67 O HETATM 1977 O HOH 51 -1.276 11.399 8.689 1.00 32.05 O HETATM 1978 O HOH 52 -5.440 19.084 0.016 1.00 26.35 O HETATM 1979 O HOH 53 -5.427 -3.415 -25.071 1.00 22.42 O HETATM 1980 O HOH 54 -16.895 1.169 -18.634 1.00 25.87 O HETATM 1981 O HOH 55 -4.363 1.823 -22.928 1.00 31.59 O HETATM 1982 O HOH 56 -7.703 26.841 -4.859 1.00 29.51 O HETATM 1983 O HOH 57 -0.098 17.742 -3.429 1.00 25.90 O HETATM 1984 O HOH 58 -2.829 1.405 -29.057 1.00 36.41 O HETATM 1985 O HOH 59 4.368 15.014 -5.697 1.00 34.16 O HETATM 1986 O HOH 60 -13.688 23.637 -14.799 1.00 24.54 O HETATM 1987 O HOH 61 -12.311 -5.885 -23.866 1.00 26.32 O HETATM 1988 O HOH 62 -21.580 -4.724 -13.997 1.00 32.11 O HETATM 1989 O HOH 63 3.282 12.238 -6.323 1.00 29.62 O HETATM 1990 O HOH 64 3.884 -2.624 4.463 1.00 36.03 O HETATM 1991 O HOH 65 5.330 -2.513 -7.962 1.00 28.76 O HETATM 1992 O HOH 66 -22.101 6.017 -5.968 1.00 33.14 O HETATM 1993 O HOH 67 -7.297 22.040 -19.720 1.00 24.74 O HETATM 1994 O HOH 68 -18.859 20.812 -11.127 1.00 37.89 O HETATM 1995 O HOH 69 -6.623 16.233 6.657 1.00 29.72 O HETATM 1996 O HOH 70 2.702 12.610 5.916 1.00 23.93 O HETATM 1997 O HOH 71 -6.094 -0.777 -22.145 1.00 33.45 O HETATM 1998 O HOH 72 5.541 10.924 -6.539 1.00 29.96 O HETATM 1999 O HOH 73 6.164 9.371 -14.342 1.00 38.98 O HETATM 2000 O HOH 74 5.603 7.465 -14.395 1.00 33.32 O HETATM 2001 O HOH 75 5.478 -1.125 -3.022 1.00 34.58 O HETATM 2002 O HOH 76 -13.465 27.944 -0.245 1.00 30.98 O HETATM 2003 O HOH 77 -12.877 -2.475 -20.057 1.00 28.08 O HETATM 2004 O HOH 78 -4.801 17.821 5.644 1.00 25.56 O HETATM 2005 O HOH 79 -2.538 -7.890 -10.171 1.00 33.19 O HETATM 2006 O HOH 80 3.481 -6.446 -15.277 1.00 32.66 O HETATM 2007 O HOH 81 2.616 17.099 -14.563 1.00 31.45 O HETATM 2008 O HOH 82 0.006 19.226 -5.845 1.00 29.56 O HETATM 2009 O HOH 83 -22.914 -3.001 -14.477 1.00 37.50 O HETATM 2010 O HOH 84 -11.019 -5.830 -19.823 1.00 36.60 O HETATM 2011 O HOH 85 -7.529 -8.712 -11.911 1.00 40.02 O HETATM 2012 O HOH 86 6.396 11.400 -3.584 1.00 40.58 O HETATM 2013 O HOH 87 -20.119 3.618 -3.371 1.00 32.74 O HETATM 2014 O HOH 88 -13.030 29.904 -1.687 1.00 38.53 O HETATM 2015 O HOH 89 -20.766 1.770 -11.673 1.00 33.04 O HETATM 2016 O HOH 90 -1.642 7.582 5.014 1.00 42.00 O HETATM 2017 O HOH 91 -17.883 -2.797 -4.945 1.00 31.92 O HETATM 2018 O HOH 92 0.626 11.869 -16.271 1.00 37.90 O HETATM 2019 O HOH 93 0.207 8.351 6.725 1.00 39.50 O HETATM 2020 O HOH 94 2.070 10.181 -16.592 1.00 36.88 O HETATM 2021 O HOH 95 -21.219 12.915 -18.606 1.00 36.25 O HETATM 2022 O HOH 96 -11.968 9.988 4.994 1.00 34.72 O HETATM 2023 O HOH 97 -22.890 12.355 -16.341 1.00 45.62 O HETATM 2024 O HOH 98 -5.083 22.037 0.069 1.00 39.10 O HETATM 2025 O HOH 99 -4.942 19.694 4.079 1.00 33.91 O HETATM 2026 O HOH 100 6.179 13.143 -2.482 1.00 38.61 O HETATM 2027 O HOH 101 -17.619 18.939 -20.599 1.00 35.28 O HETATM 2028 O HOH 102 -24.323 14.425 -16.740 1.00 36.25 O HETATM 2029 O HOH 103 -10.761 23.543 -0.486 1.00 37.99 O HETATM 2030 O HOH 104 -7.715 19.102 1.732 1.00 33.42 O HETATM 2031 O HOH 105 -2.165 -8.760 -7.556 1.00 30.29 O HETATM 2032 O HOH 106 -10.904 31.242 -27.234 1.00 33.18 O HETATM 2033 O HOH 107 -3.128 -8.021 -5.399 1.00 40.46 O HETATM 2034 O HOH 108 5.712 -2.183 6.568 1.00 38.74 O HETATM 2035 O HOH 109 -16.387 -6.966 -9.126 1.00 39.01 O HETATM 2036 O HOH 110 9.340 4.075 -14.749 1.00 32.25 O HETATM 2037 O HOH 111 9.756 1.650 -15.134 1.00 33.74 O HETATM 2038 O HOH 112 -10.417 -10.843 -19.145 1.00 42.03 O HETATM 2039 O HOH 113 -3.496 -0.381 -26.713 1.00 20.91 O HETATM 2040 O HOH 114 6.645 4.126 -11.195 1.00 37.28 O HETATM 2041 O HOH 115 -21.735 3.560 -8.552 1.00 37.92 O HETATM 2042 O HOH 116 -14.093 25.811 -8.005 1.00 26.33 O HETATM 2043 O HOH 117 -18.961 15.651 -15.838 1.00 27.71 O HETATM 2044 O HOH 118 -17.015 -7.191 -11.709 1.00 37.32 O HETATM 2045 O HOH 119 -13.512 31.634 -2.564 1.00 44.24 O HETATM 2046 O HOH 120 -13.268 -14.076 -14.951 1.00 44.00 O HETATM 2047 O HOH 121 -10.266 8.437 -30.784 1.00 21.52 O HETATM 2048 O HOH 122 -0.784 7.132 -24.302 1.00 43.55 O HETATM 2049 O HOH 123 -1.651 3.335 -20.083 1.00 35.47 O HETATM 2050 O HOH 124 -0.781 17.658 -20.515 1.00 28.70 O HETATM 2051 O HOH 125 -3.387 24.365 -0.926 1.00 42.64 O HETATM 2052 O HOH 126 -2.407 1.937 7.317 1.00 40.14 O HETATM 2053 O HOH 127 -2.279 21.792 -3.829 1.00 41.40 O HETATM 2054 O HOH 128 -18.726 16.900 -19.738 1.00 40.57 O HETATM 2055 O HOH 129 -3.059 20.892 -6.644 1.00 46.76 O HETATM 2056 C01 UNN A 130 -17.617 13.699 -18.424 1.00 0.09 C HETATM 2057 O02 UNN A 130 -18.607 13.541 -17.652 1.00 -0.56 O HETATM 2058 O03 UNN A 130 -16.879 14.724 -18.340 1.00 -0.56 O HETATM 2059 C04 UNN A 130 -17.291 12.680 -19.466 1.00 0.15 C HETATM 2060 C05 UNN A 130 -18.049 11.556 -19.829 1.00 -0.05 C HETATM 2061 C06 UNN A 130 -17.294 10.925 -20.872 1.00 -0.05 C HETATM 2062 C07 UNN A 130 -16.156 11.726 -21.048 1.00 0.12 C HETATM 2063 O08 UNN A 130 -16.203 12.727 -20.202 1.00 -0.25 O HETATM 2064 C09 UNN A 130 -15.039 11.502 -22.012 1.00 0.01 C HETATM 2065 C10 UNN A 130 -13.870 12.245 -21.887 1.00 -0.06 C HETATM 2066 C11 UNN A 130 -12.824 12.041 -22.775 1.00 -0.06 C HETATM 2067 C12 UNN A 130 -12.951 11.090 -23.778 1.00 -0.01 C HETATM 2068 C13 UNN A 130 -14.115 10.347 -23.900 1.00 -0.06 C HETATM 2069 C14 UNN A 130 -15.164 10.556 -23.018 1.00 -0.06 C HETATM 2070 H6 UNN A 130 -16.078 9.982 -23.114 1.00 0.06 H HETATM 2071 H5 UNN A 130 -14.205 9.604 -24.684 1.00 0.06 H HETATM 2072 C15 UNN A 130 -11.834 10.854 -24.738 1.00 0.10 C HETATM 2073 O16 UNN A 130 -11.241 11.956 -25.315 1.00 -0.30 O HETATM 2074 C17 UNN A 130 -9.937 12.242 -24.987 1.00 0.10 C HETATM 2075 C18 UNN A 130 -8.955 11.282 -25.166 1.00 -0.03 C HETATM 2076 C19 UNN A 130 -7.633 11.561 -24.846 1.00 -0.06 C HETATM 2077 C20 UNN A 130 -7.293 12.807 -24.347 1.00 0.00 C HETATM 2078 C21 UNN A 130 -8.283 13.763 -24.170 1.00 -0.06 C HETATM 2079 C22 UNN A 130 -9.605 13.490 -24.485 1.00 -0.03 C HETATM 2080 H12 UNN A 130 -10.370 14.244 -24.340 1.00 0.06 H HETATM 2081 H11 UNN A 130 -8.018 14.739 -23.779 1.00 0.06 H HETATM 2082 C23 UNN A 130 -5.881 13.148 -23.978 1.00 0.10 C HETATM 2083 C24 UNN A 130 -5.204 14.358 -24.308 1.00 -0.03 C HETATM 2084 C25 UNN A 130 -3.910 14.221 -23.737 1.00 0.07 C HETATM 2085 N26 UNN A 130 -3.874 13.046 -23.134 1.00 -0.19 N HETATM 2086 N27 UNN A 130 -5.023 12.412 -23.266 1.00 -0.16 N HETATM 2087 C28 UNN A 130 -5.232 11.119 -22.700 1.00 0.11 C HETATM 2088 C29 UNN A 130 -4.967 9.986 -23.453 1.00 -0.02 C HETATM 2089 C30 UNN A 130 -5.151 8.732 -22.895 1.00 -0.05 C HETATM 2090 C31 UNN A 130 -5.590 8.620 -21.588 1.00 -0.07 C HETATM 2091 C32 UNN A 130 -5.849 9.752 -20.829 1.00 -0.07 C HETATM 2092 C33 UNN A 130 -5.662 11.006 -21.386 1.00 -0.03 C HETATM 2093 H17 UNN A 130 -5.851 11.896 -20.797 1.00 0.05 H HETATM 2094 H16 UNN A 130 -6.196 9.655 -19.806 1.00 0.06 H HETATM 2095 H15 UNN A 130 -5.733 7.638 -21.152 1.00 0.05 H HETATM 2096 C34 UNN A 130 -4.879 7.507 -23.706 1.00 -0.03 C HETATM 2097 H18 UNN A 130 -4.541 7.800 -24.711 1.00 0.04 H HETATM 2098 H19 UNN A 130 -5.799 6.910 -23.788 1.00 0.04 H HETATM 2099 H20 UNN A 130 -4.096 6.909 -23.216 1.00 0.04 H HETATM 2100 H14 UNN A 130 -4.617 10.081 -24.475 1.00 0.05 H HETATM 2101 C35 UNN A 130 -2.777 15.190 -23.772 1.00 0.07 C HETATM 2102 O36 UNN A 130 -2.197 15.484 -22.692 1.00 -0.56 O HETATM 2103 O37 UNN A 130 -2.399 15.696 -24.861 1.00 -0.56 O HETATM 2104 H13 UNN A 130 -5.593 15.203 -24.874 1.00 0.04 H HETATM 2105 H10 UNN A 130 -6.869 10.805 -24.986 1.00 0.06 H HETATM 2106 H9 UNN A 130 -9.220 10.307 -25.558 1.00 0.06 H HETATM 2107 H7 UNN A 130 -12.228 10.229 -25.553 1.00 0.08 H HETATM 2108 H8 UNN A 130 -11.049 10.303 -24.199 1.00 0.08 H HETATM 2109 H4 UNN A 130 -11.913 12.621 -22.686 1.00 0.06 H HETATM 2110 H3 UNN A 130 -13.777 12.982 -21.098 1.00 0.06 H HETATM 2111 H2 UNN A 130 -17.550 10.015 -21.413 1.00 0.04 H HETATM 2112 H1 UNN A 130 -19.001 11.234 -19.410 1.00 0.04 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2056 2057 2058 2059 CONECT 2057 2056 CONECT 2058 2056 CONECT 2059 2056 2060 2063 CONECT 2060 2059 2061 2112 CONECT 2061 2060 2062 2111 CONECT 2062 2061 2063 2064 CONECT 2063 2059 2062 CONECT 2064 2062 2065 2069 CONECT 2065 2064 2066 2110 CONECT 2066 2065 2067 2109 CONECT 2067 2066 2068 2072 CONECT 2068 2067 2069 2071 CONECT 2069 2064 2068 2070 CONECT 2070 2069 CONECT 2071 2068 CONECT 2072 2067 2073 2107 2108 CONECT 2073 2072 2074 CONECT 2074 2073 2075 2079 CONECT 2075 2074 2076 2106 CONECT 2076 2075 2077 2105 CONECT 2077 2076 2078 2082 CONECT 2078 2077 2079 2081 CONECT 2079 2074 2078 2080 CONECT 2080 2079 CONECT 2081 2078 CONECT 2082 2077 2083 2086 CONECT 2083 2082 2084 2104 CONECT 2084 2083 2085 2101 CONECT 2085 2084 2086 CONECT 2086 2082 2085 2087 CONECT 2087 2086 2088 2092 CONECT 2088 2087 2089 2100 CONECT 2089 2088 2090 2096 CONECT 2090 2089 2091 2095 CONECT 2091 2090 2092 2094 CONECT 2092 2087 2091 2093 CONECT 2093 2092 CONECT 2094 2091 CONECT 2095 2090 CONECT 2096 2089 2097 2098 2099 CONECT 2097 2096 CONECT 2098 2096 CONECT 2099 2096 CONECT 2100 2088 CONECT 2101 2084 2102 2103 CONECT 2102 2101 CONECT 2103 2101 CONECT 2104 2083 CONECT 2105 2076 CONECT 2106 2075 CONECT 2107 2072 CONECT 2108 2072 CONECT 2109 2066 CONECT 2110 2065 CONECT 2111 2061 CONECT 2112 2060 MASTER 0 0 0 0 0 0 0 0 2111 1 61 10 END
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Related entries of code: 4luz
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
123aa, >4LWC_1|Chain... at 100%
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123aa, >4O0A_1|Chain... at 100%
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PDBbind
123aa, >4R4C_1|Chain... at 100%
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PDBbind
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4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
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123aa, >4R4Q_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4luz
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Replication protein A 70 kDa DNA-binding subunit
Ligand Name
1XT
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 9242-9250
Ligand Properties
Formula
C
2
9
H
2
2
N
2
O
6
Molecular Weight
494.495
Exact Mass
494.148
No. of atoms
59
No. of bonds
63
Polar Surface Area
114.79
LOGP Value
7.40 (
Computed with XLOGP3
)
6.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
Cc1cccc(c1)n1nc(cc1c1ccc(cc1)OCc1ccc(cc1)c1ccc(o1)C(=O)O)C(=O)O
InChI String
InChI=1S/C29H22N2O6/c1-18-3-2-4-22(15-18)31-25(16-24(30-31)28(32)33)20-9-11-23(12-10-20)36-17-19-5-7-21(8-6-19)26-13-14-27(37-26)29(34)35/h2-16H,17H2,1H3,(H,32,33)(H,34,35)
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):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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