Browse entries in the PDBbind-CN Database
HEADER 4O0A_COMPLEX COMPND 4O0A_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 273 60 ATOM 1 N GLY A -2 -7.544 -21.740 9.709 1.00 22.89 N ATOM 2 CA GLY A -2 -8.658 -22.667 10.073 1.00 17.15 C ATOM 3 C GLY A -2 -9.550 -22.030 11.140 1.00 21.39 C ATOM 4 O GLY A -2 -9.551 -20.794 11.313 1.00 16.88 O ATOM 5 HN3 GLY A -2 -6.973 -21.538 10.554 1.00 0.00 H ATOM 6 HN2 GLY A -2 -7.940 -20.853 9.337 1.00 0.00 H ATOM 7 HN1 GLY A -2 -6.947 -22.186 8.984 1.00 0.00 H ATOM 8 N SER A -1 -10.296 -22.878 11.852 1.00 25.35 N ATOM 9 CA SER A -1 -11.296 -22.466 12.854 1.00 33.17 C ATOM 10 C SER A -1 -10.964 -21.144 13.548 1.00 18.97 C ATOM 11 O SER A -1 -9.788 -20.875 13.791 1.00 21.93 O ATOM 12 CB SER A -1 -11.442 -23.557 13.922 1.00 35.71 C ATOM 13 OG SER A -1 -10.958 -23.114 15.183 1.00 41.18 O ATOM 14 HG SER A -1 -11.472 -22.319 15.472 1.00 0.00 H ATOM 15 H SER A -1 -10.163 -23.896 11.689 1.00 0.00 H ATOM 16 N HIS A 0 -11.978 -20.367 13.923 1.00 33.35 N ATOM 17 CA HIS A 0 -11.695 -19.087 14.584 1.00 21.59 C ATOM 18 C HIS A 0 -10.783 -18.200 13.692 1.00 11.41 C ATOM 19 O HIS A 0 -9.640 -18.000 14.075 1.00 13.28 O ATOM 20 CB HIS A 0 -10.996 -19.446 15.918 1.00 19.86 C ATOM 21 CG HIS A 0 -10.636 -18.282 16.789 1.00 23.70 C ATOM 22 ND1 HIS A 0 -9.377 -18.135 17.345 1.00 24.13 N ATOM 23 CD2 HIS A 0 -11.369 -17.243 17.243 1.00 24.94 C ATOM 24 CE1 HIS A 0 -9.359 -17.049 18.093 1.00 14.98 C ATOM 25 NE2 HIS A 0 -10.551 -16.486 18.048 1.00 20.42 N ATOM 26 H HIS A 0 -12.960 -20.663 13.750 1.00 0.00 H ATOM 27 N MET A 1 -11.249 -17.741 12.541 1.00 11.56 N ATOM 28 CA MET A 1 -10.364 -17.115 11.575 1.00 10.47 C ATOM 29 C MET A 1 -9.690 -15.872 12.095 1.00 9.27 C ATOM 30 O MET A 1 -8.559 -15.594 11.697 1.00 9.80 O ATOM 31 CB MET A 1 -11.087 -16.811 10.252 1.00 10.20 C ATOM 32 CG MET A 1 -11.459 -18.068 9.490 1.00 12.43 C ATOM 33 SD MET A 1 -12.026 -17.742 7.844 1.00 13.80 S ATOM 34 CE MET A 1 -13.648 -17.159 8.215 1.00 14.70 C ATOM 35 H MET A 1 -12.263 -17.830 12.326 1.00 0.00 H ATOM 36 N VAL A 2 -10.343 -15.127 12.963 1.00 8.73 N ATOM 37 CA VAL A 2 -9.762 -13.915 13.461 1.00 9.15 C ATOM 38 C VAL A 2 -8.507 -14.190 14.288 1.00 8.34 C ATOM 39 O VAL A 2 -7.668 -13.310 14.474 1.00 9.15 O ATOM 40 CB VAL A 2 -10.800 -13.140 14.267 1.00 10.50 C ATOM 41 CG1 VAL A 2 -10.909 -13.656 15.694 1.00 13.88 C ATOM 42 CG2 VAL A 2 -10.445 -11.692 14.258 1.00 8.86 C ATOM 43 H VAL A 2 -11.286 -15.420 13.289 1.00 0.00 H ATOM 44 N GLY A 3 -8.374 -15.423 14.786 1.00 8.51 N ATOM 45 CA GLY A 3 -7.154 -15.835 15.451 1.00 10.33 C ATOM 46 C GLY A 3 -5.940 -15.810 14.554 1.00 9.43 C ATOM 47 O GLY A 3 -4.809 -15.889 15.064 1.00 10.96 O ATOM 48 H GLY A 3 -9.159 -16.098 14.695 1.00 0.00 H ATOM 49 N GLN A 4 -6.127 -15.708 13.247 1.00 9.06 N ATOM 50 CA GLN A 4 -5.016 -15.626 12.327 1.00 9.05 C ATOM 51 C GLN A 4 -4.490 -14.191 12.151 1.00 7.96 C ATOM 52 O GLN A 4 -3.479 -14.013 11.483 1.00 8.91 O ATOM 53 CB GLN A 4 -5.438 -16.217 10.979 1.00 10.60 C ATOM 54 CG GLN A 4 -5.921 -17.692 11.025 1.00 12.43 C ATOM 55 CD GLN A 4 -4.830 -18.736 11.351 1.00 12.90 C ATOM 56 OE1 GLN A 4 -3.766 -18.758 10.753 1.00 13.33 O ATOM 57 NE2 GLN A 4 -5.137 -19.633 12.282 1.00 20.93 N ATOM 58 HE22 GLN A 4 -6.054 -19.582 12.771 1.00 0.00 H ATOM 59 HE21 GLN A 4 -4.461 -20.386 12.522 1.00 0.00 H ATOM 60 H GLN A 4 -7.097 -15.686 12.874 1.00 0.00 H ATOM 61 N LEU A 5 -5.190 -13.197 12.692 1.00 7.28 N ATOM 62 CA LEU A 5 -4.820 -11.795 12.522 1.00 6.79 C ATOM 63 C LEU A 5 -4.331 -11.189 13.814 1.00 6.61 C ATOM 64 O LEU A 5 -4.754 -11.616 14.903 1.00 7.28 O ATOM 65 CB LEU A 5 -6.023 -10.998 12.046 1.00 7.48 C ATOM 66 CG LEU A 5 -6.667 -11.468 10.736 1.00 7.46 C ATOM 67 CD1 LEU A 5 -7.804 -10.495 10.345 1.00 8.61 C ATOM 68 CD2 LEU A 5 -5.651 -11.591 9.617 1.00 8.88 C ATOM 69 H LEU A 5 -6.032 -13.427 13.257 1.00 0.00 H ATOM 70 N SER A 6 -3.471 -10.194 13.717 1.00 6.66 N ATOM 71 CA SER A 6 -2.915 -9.533 14.895 1.00 7.09 C ATOM 72 C SER A 6 -3.878 -8.538 15.534 1.00 6.84 C ATOM 73 O SER A 6 -3.699 -7.330 15.431 1.00 7.88 O ATOM 74 CB SER A 6 -1.637 -8.810 14.491 1.00 7.66 C ATOM 75 OG SER A 6 -0.602 -9.712 14.177 1.00 7.39 O ATOM 76 HG SER A 6 0.209 -9.206 13.920 1.00 0.00 H ATOM 77 H SER A 6 -3.180 -9.870 12.773 1.00 0.00 H ATOM 78 N ARG A 7 -4.901 -9.065 16.180 1.00 7.45 N ATOM 79 CA ARG A 7 -5.921 -8.242 16.830 1.00 8.53 C ATOM 80 C ARG A 7 -5.252 -7.247 17.765 1.00 7.19 C ATOM 81 O ARG A 7 -4.451 -7.632 18.620 1.00 9.36 O ATOM 82 CB ARG A 7 -6.889 -9.129 17.605 1.00 8.16 C ATOM 83 CG ARG A 7 -7.830 -9.921 16.711 1.00 8.61 C ATOM 84 CD ARG A 7 -8.763 -10.770 17.557 1.00 9.39 C ATOM 85 NE ARG A 7 -8.079 -11.978 17.963 1.00 10.71 N ATOM 86 CZ ARG A 7 -8.622 -12.974 18.655 1.00 12.04 C ATOM 87 NH1 ARG A 7 -9.876 -12.893 19.090 1.00 15.28 N ATOM 88 NH2 ARG A 7 -7.905 -14.065 18.910 1.00 13.08 N ATOM 89 HE ARG A 7 -7.080 -12.075 17.691 1.00 0.00 H ATOM 90 HH12 ARG A 7 -10.291 -13.679 19.631 1.00 0.00 H ATOM 91 HH11 ARG A 7 -10.442 -12.044 18.890 1.00 0.00 H ATOM 92 HH22 ARG A 7 -8.324 -14.848 19.451 1.00 0.00 H ATOM 93 HH21 ARG A 7 -6.925 -14.135 18.568 1.00 0.00 H ATOM 94 H ARG A 7 -4.985 -10.100 16.229 1.00 0.00 H ATOM 95 N GLY A 8 -5.571 -5.974 17.607 1.00 8.58 N ATOM 96 CA GLY A 8 -4.999 -4.912 18.405 1.00 10.38 C ATOM 97 C GLY A 8 -3.821 -4.218 17.772 1.00 8.63 C ATOM 98 O GLY A 8 -3.371 -3.175 18.267 1.00 11.13 O ATOM 99 H GLY A 8 -6.266 -5.724 16.875 1.00 0.00 H ATOM 100 N ALA A 9 -3.298 -4.714 16.656 1.00 8.71 N ATOM 101 CA ALA A 9 -2.152 -4.069 16.058 1.00 9.47 C ATOM 102 C ALA A 9 -2.466 -2.700 15.515 1.00 9.58 C ATOM 103 O ALA A 9 -1.600 -1.830 15.549 1.00 11.01 O ATOM 104 CB ALA A 9 -1.562 -4.938 14.946 1.00 9.56 C ATOM 105 H ALA A 9 -3.711 -5.561 16.216 1.00 0.00 H ATOM 106 N ILE A 10 -3.659 -2.487 14.991 1.00 8.95 N ATOM 107 CA ILE A 10 -3.959 -1.165 14.452 1.00 10.56 C ATOM 108 C ILE A 10 -3.896 -0.107 15.553 1.00 11.29 C ATOM 109 O ILE A 10 -3.286 0.942 15.363 1.00 13.34 O ATOM 110 CB ILE A 10 -5.281 -1.165 13.702 1.00 10.50 C ATOM 111 CG1 ILE A 10 -5.037 -1.797 12.333 1.00 12.18 C ATOM 112 CG2 ILE A 10 -5.836 0.268 13.523 1.00 13.46 C ATOM 113 CD1 ILE A 10 -6.301 -2.144 11.589 1.00 13.70 C ATOM 114 H ILE A 10 -4.370 -3.246 14.963 1.00 0.00 H ATOM 115 N ALA A 11 -4.521 -0.381 16.677 1.00 11.19 N ATOM 116 CA ALA A 11 -4.423 0.536 17.805 1.00 13.39 C ATOM 117 C ALA A 11 -2.971 0.722 18.253 1.00 16.34 C ATOM 118 O ALA A 11 -2.585 1.834 18.628 1.00 19.75 O ATOM 119 CB ALA A 11 -5.280 0.048 18.972 1.00 15.82 C ATOM 120 H ALA A 11 -5.085 -1.251 16.761 1.00 0.00 H ATOM 121 N ALA A 12 -2.169 -0.331 18.251 1.00 14.46 N ATOM 122 CA ALA A 12 -0.783 -0.226 18.723 1.00 13.97 C ATOM 123 C ALA A 12 -0.021 0.718 17.796 1.00 17.04 C ATOM 124 O ALA A 12 0.763 1.560 18.250 1.00 19.36 O ATOM 125 CB ALA A 12 -0.134 -1.585 18.775 1.00 16.75 C ATOM 126 H ALA A 12 -2.526 -1.246 17.910 1.00 0.00 H ATOM 127 N ILE A 13 -0.251 0.609 16.503 1.00 14.43 N ATOM 128 CA ILE A 13 0.459 1.471 15.559 1.00 16.99 C ATOM 129 C ILE A 13 0.057 2.929 15.643 1.00 21.94 C ATOM 130 O ILE A 13 0.910 3.817 15.648 1.00 25.43 O ATOM 131 CB ILE A 13 0.205 1.031 14.143 1.00 14.01 C ATOM 132 CG1 ILE A 13 0.842 -0.343 13.925 1.00 16.31 C ATOM 133 CG2 ILE A 13 0.756 2.057 13.125 1.00 17.99 C ATOM 134 CD1 ILE A 13 0.402 -0.997 12.694 1.00 17.36 C ATOM 135 H ILE A 13 -0.937 -0.090 16.154 1.00 0.00 H ATOM 136 N MET A 14 -1.246 3.177 15.716 1.00 17.60 N ATOM 137 CA MET A 14 -1.776 4.534 15.646 1.00 18.46 C ATOM 138 C MET A 14 -1.667 5.253 16.980 1.00 23.28 C ATOM 139 O MET A 14 -1.434 6.461 17.027 1.00 28.74 O ATOM 140 CB MET A 14 -3.239 4.497 15.201 1.00 16.26 C ATOM 141 CG MET A 14 -3.427 3.920 13.819 1.00 17.33 C ATOM 142 SD MET A 14 -2.664 4.962 12.571 1.00 22.28 S ATOM 143 CE MET A 14 -3.860 6.295 12.455 1.00 19.76 C ATOM 144 H MET A 14 -1.907 2.381 15.826 1.00 0.00 H ATOM 145 N GLN A 15 -1.842 4.505 18.062 1.00 20.79 N ATOM 146 CA GLN A 15 -1.797 5.081 19.425 1.00 27.46 C ATOM 147 C GLN A 15 -0.401 5.112 20.031 1.00 24.86 C ATOM 148 O GLN A 15 0.110 6.176 20.392 1.00 28.94 O ATOM 149 CB GLN A 15 -2.665 4.300 20.420 1.00 29.72 C ATOM 150 CG GLN A 15 -4.162 4.429 20.254 1.00 24.87 C ATOM 151 CD GLN A 15 -4.928 3.342 20.987 1.00 25.34 C ATOM 152 OE1 GLN A 15 -4.378 2.636 21.831 1.00 44.79 O ATOM 153 NE2 GLN A 15 -6.210 3.199 20.659 1.00 30.19 N ATOM 154 HE22 GLN A 15 -6.635 3.818 19.939 1.00 0.00 H ATOM 155 HE21 GLN A 15 -6.787 2.468 21.122 1.00 0.00 H ATOM 156 H GLN A 15 -2.016 3.486 17.949 1.00 0.00 H ATOM 157 N LYS A 16 0.183 3.928 20.195 1.00 23.78 N ATOM 158 CA LYS A 16 1.411 3.784 20.963 1.00 29.20 C ATOM 159 C LYS A 16 2.645 4.145 20.167 1.00 21.08 C ATOM 160 O LYS A 16 3.714 4.327 20.734 1.00 17.60 O ATOM 161 CB LYS A 16 1.579 2.354 21.463 1.00 24.00 C ATOM 162 CG LYS A 16 0.395 1.809 22.229 1.00 32.08 C ATOM 163 CD LYS A 16 0.844 0.903 23.367 1.00 46.38 C ATOM 164 CE LYS A 16 1.913 -0.098 22.926 1.00 55.29 C ATOM 165 NZ LYS A 16 2.251 -1.057 24.014 1.00 57.97 N ATOM 166 HZ1 LYS A 16 2.612 -0.533 24.837 1.00 0.00 H ATOM 167 HZ2 LYS A 16 1.398 -1.586 24.285 1.00 0.00 H ATOM 168 HZ3 LYS A 16 2.979 -1.719 23.677 1.00 0.00 H ATOM 169 H LYS A 16 -0.248 3.085 19.764 1.00 0.00 H ATOM 170 N GLY A 17 2.512 4.227 18.852 1.00 23.53 N ATOM 171 CA GLY A 17 3.655 4.516 18.011 1.00 27.85 C ATOM 172 C GLY A 17 4.574 3.317 17.923 1.00 17.84 C ATOM 173 O GLY A 17 5.792 3.458 17.828 1.00 20.14 O ATOM 174 H GLY A 17 1.578 4.082 18.419 1.00 0.00 H ATOM 175 N ASP A 18 3.981 2.133 17.961 1.00 16.69 N ATOM 176 CA ASP A 18 4.741 0.904 17.839 1.00 12.21 C ATOM 177 C ASP A 18 5.088 0.647 16.373 1.00 21.03 C ATOM 178 O ASP A 18 4.193 0.443 15.554 1.00 28.05 O ATOM 179 CB ASP A 18 3.934 -0.258 18.413 1.00 18.14 C ATOM 180 CG ASP A 18 4.766 -1.500 18.609 1.00 14.06 C ATOM 181 OD1 ASP A 18 5.655 -1.749 17.760 1.00 14.50 O ATOM 182 OD2 ASP A 18 4.513 -2.232 19.589 1.00 16.11 O ATOM 183 H ASP A 18 2.949 2.084 18.081 1.00 0.00 H ATOM 184 N THR A 19 6.386 0.665 16.045 1.00 15.56 N ATOM 185 CA THR A 19 6.838 0.372 14.685 1.00 21.34 C ATOM 186 C THR A 19 7.709 -0.871 14.644 1.00 10.95 C ATOM 187 O THR A 19 8.266 -1.221 13.598 1.00 20.01 O ATOM 188 CB THR A 19 7.592 1.560 14.053 1.00 10.85 C ATOM 189 OG1 THR A 19 8.743 1.879 14.842 1.00 23.68 O ATOM 190 CG2 THR A 19 6.694 2.769 13.948 1.00 28.02 C ATOM 191 HG1 THR A 19 9.222 2.642 14.431 1.00 0.00 H ATOM 192 H THR A 19 7.090 0.893 16.775 1.00 0.00 H ATOM 193 N ASN A 20 7.825 -1.556 15.776 1.00 13.53 N ATOM 194 CA ASN A 20 8.635 -2.771 15.835 1.00 14.91 C ATOM 195 C ASN A 20 7.857 -4.056 15.549 1.00 14.24 C ATOM 196 O ASN A 20 8.440 -5.085 15.203 1.00 15.86 O ATOM 197 CB ASN A 20 9.286 -2.924 17.206 1.00 18.15 C ATOM 198 CG ASN A 20 10.366 -1.913 17.451 1.00 17.83 C ATOM 199 OD1 ASN A 20 11.056 -1.488 16.524 1.00 18.63 O ATOM 200 ND2 ASN A 20 10.534 -1.524 18.712 1.00 20.73 N ATOM 201 HD22 ASN A 20 9.926 -1.912 19.461 1.00 0.00 H ATOM 202 HD21 ASN A 20 11.274 -0.832 18.949 1.00 0.00 H ATOM 203 H ASN A 20 7.334 -1.224 16.630 1.00 0.00 H ATOM 204 N ILE A 21 6.565 -4.033 15.797 1.00 12.72 N ATOM 205 CA ILE A 21 5.741 -5.193 15.548 1.00 10.99 C ATOM 206 C ILE A 21 5.769 -5.568 14.056 1.00 9.31 C ATOM 207 O ILE A 21 6.015 -4.726 13.208 1.00 10.19 O ATOM 208 CB ILE A 21 4.293 -4.941 16.017 1.00 11.05 C ATOM 209 CG1 ILE A 21 3.735 -3.626 15.465 1.00 11.99 C ATOM 210 CG2 ILE A 21 4.179 -4.967 17.555 1.00 12.67 C ATOM 211 CD1 ILE A 21 2.258 -3.483 15.702 1.00 14.15 C ATOM 212 H ILE A 21 6.131 -3.168 16.178 1.00 0.00 H ATOM 213 N LYS A 22 5.517 -6.845 13.783 1.00 7.47 N ATOM 214 CA LYS A 22 5.377 -7.366 12.422 1.00 7.59 C ATOM 215 C LYS A 22 3.995 -7.976 12.277 1.00 6.80 C ATOM 216 O LYS A 22 3.817 -9.190 12.181 1.00 7.15 O ATOM 217 CB LYS A 22 6.475 -8.362 12.111 1.00 8.61 C ATOM 218 CG LYS A 22 7.878 -7.757 12.213 1.00 12.10 C ATOM 219 CD LYS A 22 8.941 -8.745 11.818 1.00 15.72 C ATOM 220 CE LYS A 22 10.250 -8.048 11.453 1.00 33.82 C ATOM 221 NZ LYS A 22 10.943 -8.742 10.328 1.00 24.13 N ATOM 222 HZ1 LYS A 22 11.157 -9.721 10.605 1.00 0.00 H ATOM 223 HZ2 LYS A 22 10.326 -8.744 9.491 1.00 0.00 H ATOM 224 HZ3 LYS A 22 11.828 -8.242 10.106 1.00 0.00 H ATOM 225 H LYS A 22 5.414 -7.508 14.578 1.00 0.00 H ATOM 226 N PRO A 23 2.969 -7.128 12.317 1.00 6.75 N ATOM 227 CA PRO A 23 1.614 -7.627 12.464 1.00 7.00 C ATOM 228 C PRO A 23 1.096 -8.314 11.215 1.00 6.72 C ATOM 229 O PRO A 23 1.483 -7.995 10.092 1.00 7.47 O ATOM 230 CB PRO A 23 0.809 -6.359 12.775 1.00 8.26 C ATOM 231 CG PRO A 23 1.567 -5.269 12.082 1.00 9.22 C ATOM 232 CD PRO A 23 3.026 -5.658 12.282 1.00 8.27 C ATOM 233 N ILE A 24 0.186 -9.239 11.446 1.00 5.95 N ATOM 234 CA ILE A 24 -0.521 -9.936 10.385 1.00 6.66 C ATOM 235 C ILE A 24 -1.890 -9.288 10.250 1.00 6.61 C ATOM 236 O ILE A 24 -2.689 -9.246 11.191 1.00 6.69 O ATOM 237 CB ILE A 24 -0.592 -11.434 10.666 1.00 6.92 C ATOM 238 CG1 ILE A 24 0.847 -12.000 10.692 1.00 9.11 C ATOM 239 CG2 ILE A 24 -1.446 -12.143 9.615 1.00 7.03 C ATOM 240 CD1 ILE A 24 0.941 -13.480 11.125 1.00 10.27 C ATOM 241 H ILE A 24 -0.036 -9.481 12.433 1.00 0.00 H ATOM 242 N LEU A 25 -2.147 -8.777 9.064 1.00 6.69 N ATOM 243 CA LEU A 25 -3.343 -7.994 8.760 1.00 6.49 C ATOM 244 C LEU A 25 -4.020 -8.573 7.521 1.00 6.89 C ATOM 245 O LEU A 25 -3.369 -9.230 6.691 1.00 8.41 O ATOM 246 CB LEU A 25 -2.967 -6.536 8.486 1.00 7.81 C ATOM 247 CG LEU A 25 -2.227 -5.805 9.610 1.00 8.66 C ATOM 248 CD1 LEU A 25 -1.819 -4.430 9.110 1.00 11.16 C ATOM 249 CD2 LEU A 25 -3.064 -5.740 10.847 1.00 9.19 C ATOM 250 H LEU A 25 -1.460 -8.940 8.300 1.00 0.00 H ATOM 251 N GLN A 26 -5.300 -8.301 7.358 1.00 6.51 N ATOM 252 CA GLN A 26 -6.020 -8.661 6.141 1.00 5.73 C ATOM 253 C GLN A 26 -6.238 -7.421 5.293 1.00 6.02 C ATOM 254 O GLN A 26 -6.639 -6.372 5.799 1.00 6.98 O ATOM 255 CB GLN A 26 -7.353 -9.314 6.456 1.00 6.52 C ATOM 256 CG GLN A 26 -8.026 -9.846 5.205 1.00 6.75 C ATOM 257 CD GLN A 26 -9.336 -10.519 5.457 1.00 6.36 C ATOM 258 OE1 GLN A 26 -10.096 -10.167 6.355 1.00 7.26 O ATOM 259 NE2 GLN A 26 -9.629 -11.526 4.631 1.00 7.41 N ATOM 260 HE22 GLN A 26 -8.960 -11.796 3.882 1.00 0.00 H ATOM 261 HE21 GLN A 26 -10.526 -12.041 4.737 1.00 0.00 H ATOM 262 H GLN A 26 -5.813 -7.814 8.121 1.00 0.00 H ATOM 263 N VAL A 27 -5.989 -7.535 3.997 1.00 5.95 N ATOM 264 CA VAL A 27 -6.362 -6.490 3.063 1.00 6.40 C ATOM 265 C VAL A 27 -7.850 -6.563 2.826 1.00 6.83 C ATOM 266 O VAL A 27 -8.351 -7.618 2.432 1.00 7.68 O ATOM 267 CB VAL A 27 -5.625 -6.639 1.710 1.00 7.20 C ATOM 268 CG1 VAL A 27 -6.074 -5.563 0.746 1.00 9.22 C ATOM 269 CG2 VAL A 27 -4.152 -6.550 1.909 1.00 9.45 C ATOM 270 H VAL A 27 -5.517 -8.391 3.642 1.00 0.00 H ATOM 271 N ILE A 28 -8.563 -5.470 3.028 1.00 6.92 N ATOM 272 CA ILE A 28 -9.985 -5.432 2.717 1.00 8.42 C ATOM 273 C ILE A 28 -10.224 -4.834 1.342 1.00 8.36 C ATOM 274 O ILE A 28 -11.082 -5.331 0.609 1.00 9.81 O ATOM 275 CB ILE A 28 -10.770 -4.661 3.798 1.00 7.77 C ATOM 276 CG1 ILE A 28 -10.498 -5.243 5.197 1.00 8.76 C ATOM 277 CG2 ILE A 28 -12.263 -4.624 3.484 1.00 9.93 C ATOM 278 CD1 ILE A 28 -10.829 -6.699 5.355 1.00 10.22 C ATOM 279 H ILE A 28 -8.101 -4.622 3.416 1.00 0.00 H ATOM 280 N ASN A 29 -9.492 -3.793 0.986 1.00 7.81 N ATOM 281 CA ASN A 29 -9.649 -3.139 -0.303 1.00 8.39 C ATOM 282 C ASN A 29 -8.359 -2.445 -0.664 1.00 7.46 C ATOM 283 O ASN A 29 -7.603 -2.045 0.228 1.00 8.46 O ATOM 284 CB ASN A 29 -10.802 -2.133 -0.241 1.00 13.20 C ATOM 285 CG ASN A 29 -11.170 -1.601 -1.592 1.00 19.51 C ATOM 286 OD1 ASN A 29 -11.274 -2.364 -2.536 1.00 14.89 O ATOM 287 ND2 ASN A 29 -11.348 -0.291 -1.695 1.00 15.10 N ATOM 288 HD22 ASN A 29 -11.247 0.315 -0.856 1.00 0.00 H ATOM 289 HD21 ASN A 29 -11.589 0.130 -2.615 1.00 0.00 H ATOM 290 H ASN A 29 -8.779 -3.429 1.650 1.00 0.00 H ATOM 291 N ILE A 30 -8.113 -2.264 -1.958 1.00 8.06 N ATOM 292 CA ILE A 30 -6.960 -1.532 -2.468 1.00 8.77 C ATOM 293 C ILE A 30 -7.469 -0.651 -3.578 1.00 8.95 C ATOM 294 O ILE A 30 -8.249 -1.115 -4.432 1.00 11.02 O ATOM 295 CB ILE A 30 -5.924 -2.456 -3.096 1.00 9.83 C ATOM 296 CG1 ILE A 30 -5.484 -3.532 -2.123 1.00 8.55 C ATOM 297 CG2 ILE A 30 -4.719 -1.655 -3.557 1.00 9.26 C ATOM 298 CD1 ILE A 30 -4.439 -4.478 -2.704 1.00 9.08 C ATOM 299 H ILE A 30 -8.781 -2.668 -2.645 1.00 0.00 H ATOM 300 N ARG A 31 -7.050 0.595 -3.609 1.00 8.88 N ATOM 301 CA ARG A 31 -7.386 1.452 -4.733 1.00 10.05 C ATOM 302 C ARG A 31 -6.240 2.388 -5.030 1.00 10.25 C ATOM 303 O ARG A 31 -5.478 2.768 -4.128 1.00 11.04 O ATOM 304 CB ARG A 31 -8.667 2.220 -4.486 1.00 16.09 C ATOM 305 CG ARG A 31 -8.558 3.334 -3.517 1.00 18.53 C ATOM 306 CD ARG A 31 -9.593 4.444 -3.768 1.00 21.20 C ATOM 307 NE ARG A 31 -9.318 5.577 -2.882 1.00 23.25 N ATOM 308 CZ ARG A 31 -8.736 6.728 -3.237 1.00 18.18 C ATOM 309 NH1 ARG A 31 -8.383 6.983 -4.508 1.00 19.00 N ATOM 310 NH2 ARG A 31 -8.529 7.648 -2.296 1.00 35.20 N ATOM 311 HE ARG A 31 -9.601 5.478 -1.886 1.00 0.00 H ATOM 312 HH12 ARG A 31 -7.932 7.888 -4.751 1.00 0.00 H ATOM 313 HH11 ARG A 31 -8.561 6.275 -5.249 1.00 0.00 H ATOM 314 HH22 ARG A 31 -8.079 8.552 -2.543 1.00 0.00 H ATOM 315 HH21 ARG A 31 -8.818 7.462 -1.314 1.00 0.00 H ATOM 316 H ARG A 31 -6.476 0.968 -2.826 1.00 0.00 H ATOM 317 N PRO A 32 -6.085 2.793 -6.295 1.00 9.52 N ATOM 318 CA PRO A 32 -5.065 3.790 -6.586 1.00 8.82 C ATOM 319 C PRO A 32 -5.465 5.135 -6.029 1.00 9.70 C ATOM 320 O PRO A 32 -6.667 5.439 -5.999 1.00 11.30 O ATOM 321 CB PRO A 32 -5.063 3.861 -8.123 1.00 10.29 C ATOM 322 CG PRO A 32 -5.914 2.744 -8.586 1.00 9.98 C ATOM 323 CD PRO A 32 -6.873 2.455 -7.486 1.00 9.56 C ATOM 324 N ILE A 33 -4.502 5.929 -5.585 1.00 9.89 N ATOM 325 CA ILE A 33 -4.789 7.339 -5.308 1.00 11.80 C ATOM 326 C ILE A 33 -4.639 8.097 -6.606 1.00 11.65 C ATOM 327 O ILE A 33 -4.215 7.530 -7.614 1.00 13.19 O ATOM 328 CB ILE A 33 -3.885 7.958 -4.212 1.00 12.22 C ATOM 329 CG1 ILE A 33 -2.421 7.951 -4.619 1.00 12.74 C ATOM 330 CG2 ILE A 33 -4.084 7.199 -2.917 1.00 13.55 C ATOM 331 CD1 ILE A 33 -1.551 8.911 -3.851 1.00 14.94 C ATOM 332 H ILE A 33 -3.544 5.552 -5.433 1.00 0.00 H ATOM 333 N THR A 34 -5.020 9.372 -6.597 1.00 11.54 N ATOM 334 CA THR A 34 -4.800 10.189 -7.784 1.00 14.66 C ATOM 335 C THR A 34 -3.347 10.592 -7.880 1.00 13.75 C ATOM 336 O THR A 34 -2.825 11.272 -7.005 1.00 17.44 O ATOM 337 CB THR A 34 -5.701 11.420 -7.790 1.00 12.19 C ATOM 338 OG1 THR A 34 -7.063 10.964 -7.840 1.00 14.32 O ATOM 339 CG2 THR A 34 -5.398 12.327 -8.996 1.00 14.61 C ATOM 340 HG1 THR A 34 -7.251 10.403 -7.047 1.00 0.00 H ATOM 341 H THR A 34 -5.469 9.781 -5.753 1.00 0.00 H ATOM 342 N THR A 35 -2.698 10.151 -8.943 1.00 17.28 N ATOM 343 CA THR A 35 -1.334 10.543 -9.230 1.00 18.60 C ATOM 344 C THR A 35 -1.292 11.170 -10.618 1.00 24.41 C ATOM 345 O THR A 35 -2.217 11.002 -11.420 1.00 29.10 O ATOM 346 CB THR A 35 -0.385 9.317 -9.201 1.00 18.06 C ATOM 347 OG1 THR A 35 -0.893 8.295 -10.070 1.00 22.10 O ATOM 348 CG2 THR A 35 -0.270 8.751 -7.795 1.00 20.04 C ATOM 349 HG1 THR A 35 -1.794 8.022 -9.765 1.00 0.00 H ATOM 350 H THR A 35 -3.183 9.501 -9.595 1.00 0.00 H ATOM 351 N GLY A 36 -0.216 11.895 -10.891 1.00 31.17 N ATOM 352 CA GLY A 36 0.003 12.479 -12.201 1.00 22.58 C ATOM 353 C GLY A 36 1.144 11.783 -12.911 1.00 26.85 C ATOM 354 O GLY A 36 1.116 10.568 -13.142 1.00 17.19 O ATOM 355 H GLY A 36 0.491 12.050 -10.145 1.00 0.00 H ATOM 356 N ASN A 37 2.159 12.571 -13.248 1.00 30.16 N ATOM 357 CA ASN A 37 3.357 12.064 -13.902 1.00 26.19 C ATOM 358 C ASN A 37 4.308 11.443 -12.882 1.00 24.33 C ATOM 359 O ASN A 37 5.340 12.015 -12.542 1.00 30.26 O ATOM 360 CB ASN A 37 4.055 13.199 -14.658 1.00 38.63 C ATOM 361 CG ASN A 37 5.273 12.728 -15.431 1.00 28.45 C ATOM 362 OD1 ASN A 37 5.453 11.531 -15.660 1.00 25.81 O ATOM 363 ND2 ASN A 37 6.119 13.672 -15.838 1.00 20.08 N ATOM 364 HD22 ASN A 37 5.927 14.671 -15.622 1.00 0.00 H ATOM 365 HD21 ASN A 37 6.972 13.410 -16.372 1.00 0.00 H ATOM 366 H ASN A 37 2.096 13.587 -13.037 1.00 0.00 H ATOM 367 N SER A 38 3.944 10.262 -12.396 1.00 29.32 N ATOM 368 CA SER A 38 4.719 9.565 -11.383 1.00 27.50 C ATOM 369 C SER A 38 4.230 8.130 -11.354 1.00 17.46 C ATOM 370 O SER A 38 3.190 7.819 -11.940 1.00 23.26 O ATOM 371 CB SER A 38 4.486 10.193 -10.014 1.00 30.33 C ATOM 372 OG SER A 38 3.209 9.810 -9.526 1.00 19.49 O ATOM 373 HG SER A 38 3.169 8.824 -9.447 1.00 0.00 H ATOM 374 H SER A 38 3.073 9.820 -12.753 1.00 0.00 H ATOM 375 N PRO A 39 4.974 7.240 -10.680 1.00 23.58 N ATOM 376 CA PRO A 39 4.396 5.902 -10.560 1.00 21.85 C ATOM 377 C PRO A 39 3.060 5.953 -9.817 1.00 14.33 C ATOM 378 O PRO A 39 2.850 6.826 -8.980 1.00 17.17 O ATOM 379 CB PRO A 39 5.449 5.122 -9.753 1.00 21.11 C ATOM 380 CG PRO A 39 6.372 6.143 -9.189 1.00 24.39 C ATOM 381 CD PRO A 39 6.325 7.320 -10.098 1.00 20.23 C ATOM 382 N PRO A 40 2.172 5.003 -10.117 1.00 13.33 N ATOM 383 CA PRO A 40 0.948 4.972 -9.319 1.00 12.35 C ATOM 384 C PRO A 40 1.272 4.707 -7.860 1.00 9.38 C ATOM 385 O PRO A 40 2.333 4.212 -7.502 1.00 11.48 O ATOM 386 CB PRO A 40 0.158 3.801 -9.914 1.00 16.47 C ATOM 387 CG PRO A 40 1.171 2.927 -10.504 1.00 19.22 C ATOM 388 CD PRO A 40 2.268 3.840 -11.015 1.00 17.98 C ATOM 389 N ARG A 41 0.325 5.052 -7.017 1.00 10.50 N ATOM 390 CA ARG A 41 0.412 4.826 -5.580 1.00 11.17 C ATOM 391 C ARG A 41 -0.900 4.175 -5.115 1.00 6.25 C ATOM 392 O ARG A 41 -1.979 4.676 -5.470 1.00 10.80 O ATOM 393 CB ARG A 41 0.646 6.179 -4.895 1.00 13.40 C ATOM 394 CG ARG A 41 0.608 6.192 -3.377 1.00 12.55 C ATOM 395 CD ARG A 41 1.929 5.752 -2.753 1.00 11.23 C ATOM 396 NE ARG A 41 3.014 6.708 -2.990 1.00 12.59 N ATOM 397 CZ ARG A 41 4.262 6.492 -2.613 1.00 10.62 C ATOM 398 NH1 ARG A 41 4.579 5.361 -2.017 1.00 11.58 N ATOM 399 NH2 ARG A 41 5.206 7.406 -2.835 1.00 13.75 N ATOM 400 HE ARG A 41 2.791 7.599 -3.478 1.00 0.00 H ATOM 401 HH12 ARG A 41 5.560 5.187 -1.719 1.00 0.00 H ATOM 402 HH11 ARG A 41 3.848 4.641 -1.845 1.00 0.00 H ATOM 403 HH22 ARG A 41 6.185 7.226 -2.534 1.00 0.00 H ATOM 404 HH21 ARG A 41 4.964 8.299 -3.309 1.00 0.00 H ATOM 405 H ARG A 41 -0.530 5.509 -7.394 1.00 0.00 H ATOM 406 N TYR A 42 -0.801 3.139 -4.293 1.00 7.81 N ATOM 407 CA TYR A 42 -1.973 2.425 -3.816 1.00 7.95 C ATOM 408 C TYR A 42 -2.247 2.697 -2.348 1.00 7.98 C ATOM 409 O TYR A 42 -1.329 2.729 -1.526 1.00 8.84 O ATOM 410 CB TYR A 42 -1.800 0.905 -4.061 1.00 8.32 C ATOM 411 CG TYR A 42 -1.618 0.627 -5.526 1.00 8.21 C ATOM 412 CD1 TYR A 42 -2.696 0.679 -6.409 1.00 9.84 C ATOM 413 CD2 TYR A 42 -0.378 0.348 -6.036 1.00 8.84 C ATOM 414 CE1 TYR A 42 -2.519 0.475 -7.753 1.00 10.35 C ATOM 415 CE2 TYR A 42 -0.192 0.134 -7.402 1.00 9.71 C ATOM 416 CZ TYR A 42 -1.267 0.189 -8.241 1.00 9.43 C ATOM 417 OH TYR A 42 -1.111 -0.016 -9.601 1.00 11.49 O ATOM 418 HH TYR A 42 -0.738 -0.920 -9.757 1.00 0.00 H ATOM 419 H TYR A 42 0.142 2.829 -3.981 1.00 0.00 H ATOM 420 N ARG A 43 -3.521 2.898 -2.055 1.00 7.67 N ATOM 421 CA ARG A 43 -4.046 3.035 -0.715 1.00 7.58 C ATOM 422 C ARG A 43 -4.804 1.772 -0.348 1.00 7.23 C ATOM 423 O ARG A 43 -5.501 1.181 -1.179 1.00 8.60 O ATOM 424 CB ARG A 43 -4.961 4.260 -0.650 1.00 9.61 C ATOM 425 CG ARG A 43 -5.543 4.520 0.685 1.00 9.18 C ATOM 426 CD ARG A 43 -6.319 5.829 0.683 1.00 11.05 C ATOM 427 NE ARG A 43 -6.883 6.091 1.990 1.00 12.08 N ATOM 428 CZ ARG A 43 -7.604 7.162 2.277 1.00 13.53 C ATOM 429 NH1 ARG A 43 -7.863 8.049 1.319 1.00 13.12 N ATOM 430 NH2 ARG A 43 -8.084 7.320 3.503 1.00 14.30 N ATOM 431 HE ARG A 43 -6.712 5.398 2.746 1.00 0.00 H ATOM 432 HH12 ARG A 43 -8.429 8.895 1.533 1.00 0.00 H ATOM 433 HH11 ARG A 43 -7.500 7.896 0.357 1.00 0.00 H ATOM 434 HH22 ARG A 43 -8.652 8.160 3.735 1.00 0.00 H ATOM 435 HH21 ARG A 43 -7.893 6.604 4.233 1.00 0.00 H ATOM 436 H ARG A 43 -4.194 2.962 -2.846 1.00 0.00 H ATOM 437 N LEU A 44 -4.657 1.346 0.903 1.00 6.84 N ATOM 438 CA LEU A 44 -5.239 0.090 1.376 1.00 7.79 C ATOM 439 C LEU A 44 -6.107 0.304 2.594 1.00 6.93 C ATOM 440 O LEU A 44 -5.739 1.042 3.527 1.00 8.32 O ATOM 441 CB LEU A 44 -4.167 -0.936 1.707 1.00 7.21 C ATOM 442 CG LEU A 44 -3.279 -1.357 0.547 1.00 8.99 C ATOM 443 CD1 LEU A 44 -2.092 -0.422 0.335 1.00 15.38 C ATOM 444 CD2 LEU A 44 -2.777 -2.779 0.760 1.00 11.64 C ATOM 445 H LEU A 44 -4.109 1.927 1.569 1.00 0.00 H ATOM 446 N LEU A 45 -7.248 -0.356 2.585 1.00 6.89 N ATOM 447 CA LEU A 45 -8.079 -0.532 3.772 1.00 6.78 C ATOM 448 C LEU A 45 -7.666 -1.871 4.363 1.00 6.29 C ATOM 449 O LEU A 45 -7.831 -2.904 3.702 1.00 7.37 O ATOM 450 CB LEU A 45 -9.548 -0.545 3.365 1.00 8.00 C ATOM 451 CG LEU A 45 -10.555 -0.792 4.479 1.00 9.21 C ATOM 452 CD1 LEU A 45 -10.543 0.305 5.510 1.00 10.55 C ATOM 453 CD2 LEU A 45 -11.952 -0.969 3.900 1.00 10.05 C ATOM 454 H LEU A 45 -7.572 -0.772 1.688 1.00 0.00 H ATOM 455 N MET A 46 -7.079 -1.867 5.555 1.00 6.63 N ATOM 456 CA MET A 46 -6.534 -3.051 6.226 1.00 6.74 C ATOM 457 C MET A 46 -7.341 -3.362 7.480 1.00 6.17 C ATOM 458 O MET A 46 -7.928 -2.445 8.080 1.00 7.93 O ATOM 459 CB MET A 46 -5.080 -2.789 6.662 1.00 7.63 C ATOM 460 CG MET A 46 -4.124 -2.359 5.556 1.00 8.21 C ATOM 461 SD MET A 46 -3.907 -3.602 4.276 1.00 7.35 S ATOM 462 CE MET A 46 -3.135 -4.936 5.161 1.00 11.03 C ATOM 463 H MET A 46 -7.000 -0.955 6.049 1.00 0.00 H ATOM 464 N SER A 47 -7.322 -4.604 7.920 1.00 6.12 N ATOM 465 CA SER A 47 -8.006 -5.068 9.113 1.00 6.01 C ATOM 466 C SER A 47 -7.074 -5.878 9.973 1.00 6.45 C ATOM 467 O SER A 47 -6.318 -6.719 9.477 1.00 7.35 O ATOM 468 CB SER A 47 -9.156 -5.947 8.679 1.00 7.13 C ATOM 469 OG SER A 47 -9.701 -6.597 9.825 1.00 7.70 O ATOM 470 HG SER A 47 -10.455 -7.175 9.548 1.00 0.00 H ATOM 471 H SER A 47 -6.778 -5.302 7.373 1.00 0.00 H ATOM 472 N ASP A 48 -7.173 -5.683 11.279 1.00 7.18 N ATOM 473 CA ASP A 48 -6.502 -6.558 12.225 1.00 8.80 C ATOM 474 C ASP A 48 -7.501 -7.484 12.896 1.00 9.10 C ATOM 475 O ASP A 48 -7.144 -8.164 13.884 1.00 10.75 O ATOM 476 CB ASP A 48 -5.704 -5.774 13.291 1.00 9.59 C ATOM 477 CG ASP A 48 -6.583 -4.986 14.240 1.00 8.40 C ATOM 478 OD1 ASP A 48 -7.809 -5.041 14.142 1.00 9.41 O ATOM 479 OD2 ASP A 48 -5.979 -4.336 15.141 1.00 10.60 O ATOM 480 H ASP A 48 -7.742 -4.888 11.634 1.00 0.00 H ATOM 481 N GLY A 49 -8.721 -7.553 12.388 1.00 9.27 N ATOM 482 CA GLY A 49 -9.749 -8.410 12.989 1.00 11.23 C ATOM 483 C GLY A 49 -10.702 -7.668 13.922 1.00 11.16 C ATOM 484 O GLY A 49 -11.885 -7.991 13.996 1.00 14.08 O ATOM 485 H GLY A 49 -8.956 -6.989 11.546 1.00 0.00 H ATOM 486 N LEU A 50 -10.184 -6.665 14.616 1.00 10.14 N ATOM 487 CA LEU A 50 -11.020 -5.805 15.491 1.00 10.03 C ATOM 488 C LEU A 50 -11.382 -4.499 14.838 1.00 8.42 C ATOM 489 O LEU A 50 -12.499 -4.031 14.974 1.00 9.27 O ATOM 490 CB LEU A 50 -10.316 -5.489 16.805 1.00 11.35 C ATOM 491 CG LEU A 50 -9.970 -6.701 17.680 1.00 12.84 C ATOM 492 CD1 LEU A 50 -9.260 -6.233 18.967 1.00 15.62 C ATOM 493 CD2 LEU A 50 -11.185 -7.546 18.027 1.00 14.06 C ATOM 494 H LEU A 50 -9.164 -6.475 14.546 1.00 0.00 H ATOM 495 N ASN A 51 -10.405 -3.908 14.139 1.00 9.27 N ATOM 496 CA ASN A 51 -10.581 -2.640 13.477 1.00 8.35 C ATOM 497 C ASN A 51 -10.184 -2.722 12.010 1.00 7.42 C ATOM 498 O ASN A 51 -9.308 -3.527 11.623 1.00 8.49 O ATOM 499 CB ASN A 51 -9.677 -1.568 14.092 1.00 9.49 C ATOM 500 CG ASN A 51 -10.128 -1.093 15.461 1.00 10.22 C ATOM 501 OD1 ASN A 51 -9.380 -1.203 16.438 1.00 12.39 O ATOM 502 ND2 ASN A 51 -11.325 -0.537 15.525 1.00 9.65 N ATOM 503 HD22 ASN A 51 -11.914 -0.470 14.670 1.00 0.00 H ATOM 504 HD21 ASN A 51 -11.678 -0.166 16.430 1.00 0.00 H ATOM 505 H ASN A 51 -9.482 -4.383 14.071 1.00 0.00 H ATOM 506 N THR A 52 -10.816 -1.882 11.212 1.00 7.50 N ATOM 507 CA THR A 52 -10.280 -1.549 9.896 1.00 8.29 C ATOM 508 C THR A 52 -9.695 -0.149 9.937 1.00 9.17 C ATOM 509 O THR A 52 -10.051 0.695 10.793 1.00 11.22 O ATOM 510 CB THR A 52 -11.351 -1.589 8.807 1.00 10.00 C ATOM 511 OG1 THR A 52 -12.373 -0.633 9.098 1.00 11.23 O ATOM 512 CG2 THR A 52 -11.971 -2.964 8.686 1.00 12.36 C ATOM 513 HG1 THR A 52 -11.975 0.273 9.134 1.00 0.00 H ATOM 514 H THR A 52 -11.709 -1.451 11.526 1.00 0.00 H ATOM 515 N LEU A 53 -8.827 0.136 8.976 1.00 9.76 N ATOM 516 CA LEU A 53 -8.187 1.440 8.877 1.00 9.74 C ATOM 517 C LEU A 53 -7.723 1.646 7.463 1.00 8.22 C ATOM 518 O LEU A 53 -7.089 0.766 6.898 1.00 7.89 O ATOM 519 CB LEU A 53 -7.004 1.478 9.823 1.00 11.85 C ATOM 520 CG LEU A 53 -6.158 2.758 9.766 1.00 14.14 C ATOM 521 CD1 LEU A 53 -6.974 3.993 10.120 1.00 20.13 C ATOM 522 CD2 LEU A 53 -4.918 2.630 10.627 1.00 16.63 C ATOM 523 H LEU A 53 -8.596 -0.594 8.272 1.00 0.00 H ATOM 524 N SER A 54 -8.059 2.792 6.871 1.00 9.07 N ATOM 525 CA SER A 54 -7.723 3.073 5.489 1.00 9.84 C ATOM 526 C SER A 54 -6.507 3.984 5.305 1.00 8.59 C ATOM 527 O SER A 54 -6.239 4.422 4.198 1.00 10.34 O ATOM 528 CB SER A 54 -8.907 3.686 4.729 1.00 18.04 C ATOM 529 OG SER A 54 -9.201 4.969 5.235 1.00 21.68 O ATOM 530 HG SER A 54 -9.434 4.899 6.195 1.00 0.00 H ATOM 531 H SER A 54 -8.579 3.508 7.418 1.00 0.00 H ATOM 532 N SER A 55 -5.751 4.201 6.369 1.00 8.17 N ATOM 533 CA SER A 55 -4.643 5.155 6.374 1.00 8.85 C ATOM 534 C SER A 55 -3.291 4.577 5.896 1.00 8.45 C ATOM 535 O SER A 55 -2.221 5.069 6.246 1.00 10.43 O ATOM 536 CB SER A 55 -4.530 5.773 7.774 1.00 10.54 C ATOM 537 OG SER A 55 -5.763 6.427 8.106 1.00 10.62 O ATOM 538 HG SER A 55 -5.691 6.826 9.009 1.00 0.00 H ATOM 539 H SER A 55 -5.954 3.670 7.240 1.00 0.00 H ATOM 540 N PHE A 56 -3.350 3.577 5.035 1.00 7.96 N ATOM 541 CA PHE A 56 -2.168 2.867 4.579 1.00 7.34 C ATOM 542 C PHE A 56 -1.924 3.173 3.112 1.00 7.71 C ATOM 543 O PHE A 56 -2.864 3.170 2.300 1.00 7.89 O ATOM 544 CB PHE A 56 -2.387 1.364 4.675 1.00 8.35 C ATOM 545 CG PHE A 56 -2.505 0.850 6.052 1.00 7.75 C ATOM 546 CD1 PHE A 56 -3.746 0.767 6.651 1.00 10.33 C ATOM 547 CD2 PHE A 56 -1.404 0.384 6.741 1.00 8.05 C ATOM 548 CE1 PHE A 56 -3.893 0.271 7.937 1.00 11.66 C ATOM 549 CE2 PHE A 56 -1.519 -0.146 8.033 1.00 8.87 C ATOM 550 CZ PHE A 56 -2.773 -0.195 8.636 1.00 11.50 C ATOM 551 H PHE A 56 -4.279 3.287 4.669 1.00 0.00 H ATOM 552 N MET A 57 -0.669 3.416 2.764 1.00 7.45 N ATOM 553 CA MET A 57 -0.281 3.427 1.367 1.00 8.07 C ATOM 554 C MET A 57 0.921 2.520 1.201 1.00 7.66 C ATOM 555 O MET A 57 1.687 2.264 2.131 1.00 8.33 O ATOM 556 CB MET A 57 -0.013 4.840 0.821 1.00 9.44 C ATOM 557 CG MET A 57 -1.351 5.655 0.610 1.00 9.77 C ATOM 558 SD MET A 57 -1.124 7.283 -0.062 1.00 11.24 S ATOM 559 CE MET A 57 -0.451 8.098 1.317 1.00 12.95 C ATOM 560 H MET A 57 0.044 3.600 3.499 1.00 0.00 H ATOM 561 N LEU A 58 1.065 2.005 -0.005 1.00 8.02 N ATOM 562 CA LEU A 58 2.130 1.061 -0.319 1.00 8.73 C ATOM 563 C LEU A 58 3.366 1.762 -0.850 1.00 7.83 C ATOM 564 O LEU A 58 3.261 2.667 -1.683 1.00 9.28 O ATOM 565 CB LEU A 58 1.601 0.107 -1.366 1.00 8.92 C ATOM 566 CG LEU A 58 2.380 -1.146 -1.680 1.00 10.35 C ATOM 567 CD1 LEU A 58 2.368 -2.108 -0.497 1.00 14.38 C ATOM 568 CD2 LEU A 58 1.762 -1.775 -2.881 1.00 11.60 C ATOM 569 H LEU A 58 0.399 2.281 -0.754 1.00 0.00 H ATOM 570 N ALA A 59 4.547 1.355 -0.417 1.00 8.56 N ATOM 571 CA ALA A 59 5.782 1.789 -1.079 1.00 9.09 C ATOM 572 C ALA A 59 5.711 1.445 -2.553 1.00 8.74 C ATOM 573 O ALA A 59 5.256 0.377 -2.931 1.00 8.97 O ATOM 574 CB ALA A 59 6.988 1.111 -0.466 1.00 10.02 C ATOM 575 H ALA A 59 4.601 0.719 0.404 1.00 0.00 H ATOM 576 N THR A 60 6.211 2.348 -3.401 1.00 9.72 N ATOM 577 CA THR A 60 6.168 2.185 -4.852 1.00 9.31 C ATOM 578 C THR A 60 6.862 0.910 -5.300 1.00 7.64 C ATOM 579 O THR A 60 6.487 0.303 -6.256 1.00 8.39 O ATOM 580 CB THR A 60 6.857 3.359 -5.599 1.00 13.16 C ATOM 581 OG1 THR A 60 6.533 4.603 -4.981 1.00 13.14 O ATOM 582 CG2 THR A 60 6.388 3.418 -7.034 1.00 16.70 C ATOM 583 HG1 THR A 60 6.843 4.594 -4.041 1.00 0.00 H ATOM 584 H THR A 60 6.651 3.206 -3.011 1.00 0.00 H ATOM 585 N GLN A 61 7.931 0.541 -4.586 1.00 9.16 N ATOM 586 CA GLN A 61 8.697 -0.665 -4.905 1.00 9.97 C ATOM 587 C GLN A 61 7.849 -1.928 -4.864 1.00 10.45 C ATOM 588 O GLN A 61 8.196 -2.927 -5.475 1.00 15.83 O ATOM 589 CB GLN A 61 9.866 -0.829 -3.935 1.00 11.67 C ATOM 590 CG GLN A 61 9.462 -1.075 -2.480 1.00 16.86 C ATOM 591 CD GLN A 61 10.614 -0.886 -1.498 1.00 20.10 C ATOM 592 OE1 GLN A 61 11.701 -0.433 -1.867 1.00 21.89 O ATOM 593 NE2 GLN A 61 10.383 -1.244 -0.242 1.00 16.22 N ATOM 594 HE22 GLN A 61 9.452 -1.622 0.028 1.00 0.00 H ATOM 595 HE21 GLN A 61 11.132 -1.147 0.473 1.00 0.00 H ATOM 596 H GLN A 61 8.227 1.128 -3.780 1.00 0.00 H ATOM 597 N LEU A 62 6.741 -1.885 -4.143 1.00 9.66 N ATOM 598 CA LEU A 62 5.844 -3.022 -4.029 1.00 9.99 C ATOM 599 C LEU A 62 4.673 -2.989 -5.000 1.00 8.34 C ATOM 600 O LEU A 62 3.837 -3.887 -4.990 1.00 8.71 O ATOM 601 CB LEU A 62 5.348 -3.161 -2.607 1.00 10.99 C ATOM 602 CG LEU A 62 6.457 -3.320 -1.556 1.00 13.71 C ATOM 603 CD1 LEU A 62 5.832 -3.528 -0.185 1.00 15.62 C ATOM 604 CD2 LEU A 62 7.398 -4.451 -1.868 1.00 18.62 C ATOM 605 H LEU A 62 6.504 -1.006 -3.640 1.00 0.00 H ATOM 606 N ASN A 63 4.602 -1.962 -5.861 1.00 8.52 N ATOM 607 CA ASN A 63 3.524 -1.905 -6.843 1.00 8.06 C ATOM 608 C ASN A 63 3.288 -3.192 -7.621 1.00 8.05 C ATOM 609 O ASN A 63 2.146 -3.531 -7.865 1.00 7.68 O ATOM 610 CB ASN A 63 3.720 -0.737 -7.817 1.00 8.59 C ATOM 611 CG ASN A 63 3.412 0.590 -7.192 1.00 8.68 C ATOM 612 OD1 ASN A 63 3.065 0.695 -6.004 1.00 9.65 O ATOM 613 ND2 ASN A 63 3.570 1.632 -7.980 1.00 10.33 N ATOM 614 HD22 ASN A 63 3.862 1.497 -8.969 1.00 0.00 H ATOM 615 HD21 ASN A 63 3.403 2.591 -7.614 1.00 0.00 H ATOM 616 H ASN A 63 5.316 -1.206 -5.828 1.00 0.00 H ATOM 617 N PRO A 64 4.353 -3.932 -8.003 1.00 7.55 N ATOM 618 CA PRO A 64 4.098 -5.157 -8.766 1.00 9.14 C ATOM 619 C PRO A 64 3.248 -6.161 -8.025 1.00 8.01 C ATOM 620 O PRO A 64 2.565 -6.940 -8.654 1.00 8.68 O ATOM 621 CB PRO A 64 5.503 -5.693 -9.073 1.00 11.26 C ATOM 622 CG PRO A 64 6.338 -4.435 -9.143 1.00 11.92 C ATOM 623 CD PRO A 64 5.785 -3.574 -8.012 1.00 10.32 C ATOM 624 N LEU A 65 3.311 -6.186 -6.701 1.00 8.14 N ATOM 625 CA LEU A 65 2.474 -7.086 -5.916 1.00 8.29 C ATOM 626 C LEU A 65 0.990 -6.847 -6.216 1.00 8.79 C ATOM 627 O LEU A 65 0.205 -7.787 -6.289 1.00 9.04 O ATOM 628 CB LEU A 65 2.712 -6.905 -4.414 1.00 9.35 C ATOM 629 CG LEU A 65 4.112 -6.711 -3.811 1.00 12.67 C ATOM 630 CD1 LEU A 65 4.076 -7.128 -2.359 1.00 11.60 C ATOM 631 CD2 LEU A 65 5.249 -7.436 -4.546 1.00 2.35 C ATOM 632 H LEU A 65 3.972 -5.550 -6.211 1.00 0.00 H ATOM 633 N VAL A 66 0.620 -5.582 -6.340 1.00 7.93 N ATOM 634 CA VAL A 66 -0.754 -5.225 -6.652 1.00 8.77 C ATOM 635 C VAL A 66 -1.042 -5.465 -8.120 1.00 8.23 C ATOM 636 O VAL A 66 -2.060 -6.034 -8.490 1.00 9.74 O ATOM 637 CB VAL A 66 -1.022 -3.743 -6.307 1.00 8.99 C ATOM 638 CG1 VAL A 66 -2.404 -3.289 -6.762 1.00 10.19 C ATOM 639 CG2 VAL A 66 -0.909 -3.540 -4.828 1.00 11.29 C ATOM 640 H VAL A 66 1.326 -4.829 -6.212 1.00 0.00 H ATOM 641 N GLU A 67 -0.148 -5.021 -8.986 1.00 8.22 N ATOM 642 CA GLU A 67 -0.409 -5.063 -10.402 1.00 9.29 C ATOM 643 C GLU A 67 -0.410 -6.470 -10.954 1.00 8.77 C ATOM 644 O GLU A 67 -1.086 -6.749 -11.966 1.00 11.86 O ATOM 645 CB GLU A 67 0.597 -4.182 -11.087 1.00 10.62 C ATOM 646 CG GLU A 67 0.303 -2.713 -10.741 1.00 11.17 C ATOM 647 CD GLU A 67 1.462 -1.769 -10.963 1.00 10.73 C ATOM 648 OE1 GLU A 67 2.529 -2.211 -11.463 1.00 17.08 O ATOM 649 OE2 GLU A 67 1.326 -0.572 -10.627 1.00 10.63 O ATOM 650 H GLU A 67 0.755 -4.637 -8.641 1.00 0.00 H ATOM 651 N GLU A 68 0.332 -7.379 -10.322 1.00 8.84 N ATOM 652 CA GLU A 68 0.331 -8.785 -10.723 1.00 9.67 C ATOM 653 C GLU A 68 -0.630 -9.634 -9.884 1.00 10.19 C ATOM 654 O GLU A 68 -0.658 -10.851 -10.031 1.00 8.59 O ATOM 655 CB GLU A 68 1.754 -9.331 -10.703 1.00 9.91 C ATOM 656 CG GLU A 68 2.664 -8.487 -11.625 1.00 9.83 C ATOM 657 CD GLU A 68 4.047 -9.083 -11.839 1.00 8.75 C ATOM 658 OE1 GLU A 68 4.161 -10.339 -11.836 1.00 19.22 O ATOM 659 OE2 GLU A 68 5.023 -8.319 -12.023 1.00 15.83 O ATOM 660 H GLU A 68 0.927 -7.081 -9.523 1.00 0.00 H ATOM 661 N GLU A 69 -1.418 -8.983 -9.043 1.00 11.07 N ATOM 662 CA GLU A 69 -2.529 -9.621 -8.349 1.00 11.67 C ATOM 663 C GLU A 69 -2.092 -10.697 -7.370 1.00 10.59 C ATOM 664 O GLU A 69 -2.799 -11.710 -7.241 1.00 10.15 O ATOM 665 CB GLU A 69 -3.527 -10.222 -9.338 1.00 14.19 C ATOM 666 CG GLU A 69 -4.021 -9.251 -10.388 1.00 19.72 C ATOM 667 CD GLU A 69 -5.148 -9.824 -11.224 1.00 26.54 C ATOM 668 OE1 GLU A 69 -6.271 -9.963 -10.693 1.00 33.61 O ATOM 669 OE2 GLU A 69 -4.911 -10.138 -12.409 1.00 29.36 O ATOM 670 H GLU A 69 -1.237 -7.974 -8.870 1.00 0.00 H ATOM 671 N GLN A 70 -0.955 -10.480 -6.686 1.00 12.55 N ATOM 672 CA GLN A 70 -0.576 -11.302 -5.534 1.00 12.02 C ATOM 673 C GLN A 70 -1.036 -10.673 -4.223 1.00 9.79 C ATOM 674 O GLN A 70 -1.285 -11.379 -3.242 1.00 13.13 O ATOM 675 CB GLN A 70 0.930 -11.606 -5.445 1.00 15.04 C ATOM 676 CG GLN A 70 1.432 -12.591 -6.497 1.00 18.91 C ATOM 677 CD GLN A 70 0.977 -14.019 -6.288 1.00 32.79 C ATOM 678 OE1 GLN A 70 0.142 -14.304 -5.431 1.00 24.38 O ATOM 679 NE2 GLN A 70 1.535 -14.931 -7.075 1.00 28.09 N ATOM 680 HE22 GLN A 70 2.237 -14.644 -7.787 1.00 0.00 H ATOM 681 HE21 GLN A 70 1.270 -15.932 -6.980 1.00 0.00 H ATOM 682 H GLN A 70 -0.327 -9.706 -6.983 1.00 0.00 H ATOM 683 N LEU A 71 -1.131 -9.349 -4.198 1.00 12.10 N ATOM 684 CA LEU A 71 -1.643 -8.586 -3.069 1.00 11.91 C ATOM 685 C LEU A 71 -2.988 -8.020 -3.525 1.00 11.66 C ATOM 686 O LEU A 71 -3.056 -7.122 -4.370 1.00 12.39 O ATOM 687 CB LEU A 71 -0.662 -7.481 -2.723 1.00 13.05 C ATOM 688 CG LEU A 71 -0.984 -6.587 -1.523 1.00 15.91 C ATOM 689 CD1 LEU A 71 -0.878 -7.348 -0.233 1.00 16.76 C ATOM 690 CD2 LEU A 71 -0.047 -5.419 -1.474 1.00 15.88 C ATOM 691 H LEU A 71 -0.820 -8.823 -5.039 1.00 0.00 H ATOM 692 N SER A 72 -4.072 -8.540 -2.954 1.00 12.49 N ATOM 693 CA SER A 72 -5.403 -8.117 -3.340 1.00 12.89 C ATOM 694 C SER A 72 -6.412 -8.335 -2.223 1.00 9.97 C ATOM 695 O SER A 72 -6.114 -8.980 -1.228 1.00 10.20 O ATOM 696 CB SER A 72 -5.846 -8.901 -4.559 1.00 16.59 C ATOM 697 OG SER A 72 -5.895 -10.270 -4.227 1.00 11.81 O ATOM 698 HG SER A 72 -6.184 -10.790 -5.018 1.00 0.00 H ATOM 699 H SER A 72 -3.961 -9.264 -2.216 1.00 0.00 H ATOM 700 N SER A 73 -7.600 -7.784 -2.399 1.00 10.58 N ATOM 701 CA SER A 73 -8.627 -7.850 -1.371 1.00 10.95 C ATOM 702 C SER A 73 -8.882 -9.263 -0.883 1.00 8.75 C ATOM 703 O SER A 73 -9.049 -10.181 -1.673 1.00 9.50 O ATOM 704 CB SER A 73 -9.910 -7.250 -1.912 1.00 12.76 C ATOM 705 OG SER A 73 -9.664 -5.915 -2.316 1.00 17.90 O ATOM 706 HG SER A 73 -8.969 -5.908 -3.021 1.00 0.00 H ATOM 707 H SER A 73 -7.805 -7.292 -3.292 1.00 0.00 H ATOM 708 N ASN A 74 -8.872 -9.402 0.436 1.00 7.70 N ATOM 709 CA ASN A 74 -9.056 -10.608 1.228 1.00 8.00 C ATOM 710 C ASN A 74 -7.763 -11.308 1.595 1.00 7.12 C ATOM 711 O ASN A 74 -7.795 -12.185 2.429 1.00 7.47 O ATOM 712 CB ASN A 74 -10.027 -11.599 0.610 1.00 9.96 C ATOM 713 CG ASN A 74 -11.392 -11.027 0.439 1.00 14.35 C ATOM 714 OD1 ASN A 74 -11.879 -10.306 1.298 1.00 15.86 O ATOM 715 ND2 ASN A 74 -12.008 -11.316 -0.698 1.00 14.83 N ATOM 716 HD22 ASN A 74 -11.548 -11.935 -1.396 1.00 0.00 H ATOM 717 HD21 ASN A 74 -12.951 -10.923 -0.893 1.00 0.00 H ATOM 718 H ASN A 74 -8.710 -8.529 0.978 1.00 0.00 H ATOM 719 N CYS A 75 -6.647 -10.978 0.958 1.00 6.96 N ATOM 720 CA CYS A 75 -5.426 -11.693 1.300 1.00 7.11 C ATOM 721 C CYS A 75 -4.977 -11.314 2.708 1.00 6.85 C ATOM 722 O CYS A 75 -5.346 -10.251 3.267 1.00 7.48 O ATOM 723 CB CYS A 75 -4.323 -11.456 0.272 1.00 5.26 C ATOM 724 SG CYS A 75 -3.377 -9.935 0.470 1.00 7.50 S ATOM 725 H CYS A 75 -6.645 -10.230 0.235 1.00 0.00 H ATOM 726 N VAL A 76 -4.203 -12.225 3.288 1.00 6.88 N ATOM 727 CA VAL A 76 -3.656 -12.052 4.629 1.00 6.89 C ATOM 728 C VAL A 76 -2.165 -11.873 4.488 1.00 6.97 C ATOM 729 O VAL A 76 -1.486 -12.663 3.830 1.00 8.10 O ATOM 730 CB VAL A 76 -4.030 -13.225 5.545 1.00 7.66 C ATOM 731 CG1 VAL A 76 -3.295 -13.139 6.885 1.00 9.02 C ATOM 732 CG2 VAL A 76 -5.529 -13.198 5.789 1.00 9.66 C ATOM 733 H VAL A 76 -3.978 -13.096 2.765 1.00 0.00 H ATOM 734 N CYS A 77 -1.644 -10.807 5.071 1.00 7.02 N ATOM 735 CA CYS A 77 -0.242 -10.496 4.910 1.00 7.58 C ATOM 736 C CYS A 77 0.426 -10.112 6.219 1.00 7.25 C ATOM 737 O CYS A 77 -0.223 -9.675 7.169 1.00 9.94 O ATOM 738 CB CYS A 77 -0.078 -9.392 3.871 1.00 8.61 C ATOM 739 SG CYS A 77 -0.881 -7.836 4.259 1.00 10.73 S ATOM 740 H CYS A 77 -2.247 -10.188 5.649 1.00 0.00 H ATOM 741 N GLN A 78 1.723 -10.309 6.271 1.00 7.58 N ATOM 742 CA GLN A 78 2.527 -9.880 7.399 1.00 7.46 C ATOM 743 C GLN A 78 3.306 -8.654 7.009 1.00 6.91 C ATOM 744 O GLN A 78 3.949 -8.624 5.956 1.00 7.72 O ATOM 745 CB GLN A 78 3.464 -10.992 7.825 1.00 8.55 C ATOM 746 CG GLN A 78 4.277 -10.572 9.032 1.00 8.78 C ATOM 747 CD GLN A 78 4.846 -11.739 9.765 1.00 10.52 C ATOM 748 OE1 GLN A 78 5.167 -12.776 9.158 1.00 12.86 O ATOM 749 NE2 GLN A 78 4.975 -11.616 11.074 1.00 10.97 N ATOM 750 HE22 GLN A 78 4.695 -10.731 11.543 1.00 0.00 H ATOM 751 HE21 GLN A 78 5.357 -12.404 11.635 1.00 0.00 H ATOM 752 H GLN A 78 2.190 -10.789 5.476 1.00 0.00 H ATOM 753 N ILE A 79 3.215 -7.612 7.816 1.00 6.81 N ATOM 754 CA ILE A 79 3.948 -6.393 7.568 1.00 7.15 C ATOM 755 C ILE A 79 5.309 -6.488 8.218 1.00 7.03 C ATOM 756 O ILE A 79 5.426 -6.480 9.444 1.00 10.09 O ATOM 757 CB ILE A 79 3.193 -5.173 8.094 1.00 7.74 C ATOM 758 CG1 ILE A 79 1.738 -5.148 7.587 1.00 9.96 C ATOM 759 CG2 ILE A 79 3.925 -3.885 7.703 1.00 10.63 C ATOM 760 CD1 ILE A 79 1.582 -5.400 6.120 1.00 9.13 C ATOM 761 H ILE A 79 2.599 -7.671 8.652 1.00 0.00 H ATOM 762 N HIS A 80 6.346 -6.582 7.411 1.00 7.41 N ATOM 763 CA HIS A 80 7.703 -6.721 7.924 1.00 7.99 C ATOM 764 C HIS A 80 8.389 -5.399 8.193 1.00 7.16 C ATOM 765 O HIS A 80 9.298 -5.357 9.026 1.00 11.47 O ATOM 766 CB HIS A 80 8.524 -7.562 6.959 1.00 8.92 C ATOM 767 CG HIS A 80 8.146 -9.006 6.987 1.00 9.05 C ATOM 768 ND1 HIS A 80 8.480 -9.844 8.025 1.00 11.10 N ATOM 769 CD2 HIS A 80 7.437 -9.749 6.111 1.00 11.15 C ATOM 770 CE1 HIS A 80 7.999 -11.049 7.786 1.00 11.26 C ATOM 771 NE2 HIS A 80 7.356 -11.019 6.634 1.00 11.93 N ATOM 772 H HIS A 80 6.193 -6.556 6.383 1.00 0.00 H ATOM 773 N ARG A 81 8.007 -4.342 7.506 1.00 8.01 N ATOM 774 CA ARG A 81 8.578 -3.029 7.741 1.00 9.65 C ATOM 775 C ARG A 81 7.587 -1.975 7.304 1.00 7.08 C ATOM 776 O ARG A 81 6.998 -2.049 6.225 1.00 8.08 O ATOM 777 CB ARG A 81 9.881 -2.844 6.970 1.00 9.97 C ATOM 778 CG ARG A 81 10.673 -1.602 7.386 1.00 10.34 C ATOM 779 CD ARG A 81 12.118 -1.674 6.914 1.00 16.86 C ATOM 780 NE ARG A 81 12.255 -1.641 5.465 1.00 18.81 N ATOM 781 CZ ARG A 81 12.321 -0.533 4.735 1.00 16.77 C ATOM 782 NH1 ARG A 81 12.253 0.660 5.313 1.00 23.95 N ATOM 783 NH2 ARG A 81 12.453 -0.619 3.418 1.00 29.04 N ATOM 784 HE ARG A 81 12.305 -2.551 4.965 1.00 0.00 H ATOM 785 HH12 ARG A 81 12.305 1.522 4.734 1.00 0.00 H ATOM 786 HH11 ARG A 81 12.147 0.733 6.345 1.00 0.00 H ATOM 787 HH22 ARG A 81 12.505 0.246 2.843 1.00 0.00 H ATOM 788 HH21 ARG A 81 12.504 -1.551 2.960 1.00 0.00 H ATOM 789 H ARG A 81 7.276 -4.452 6.775 1.00 0.00 H ATOM 790 N PHE A 82 7.402 -0.976 8.144 1.00 8.32 N ATOM 791 CA PHE A 82 6.518 0.142 7.834 1.00 8.89 C ATOM 792 C PHE A 82 7.040 1.389 8.510 1.00 9.93 C ATOM 793 O PHE A 82 7.842 1.331 9.457 1.00 10.52 O ATOM 794 CB PHE A 82 5.067 -0.132 8.238 1.00 9.20 C ATOM 795 CG PHE A 82 4.851 -0.301 9.714 1.00 9.72 C ATOM 796 CD1 PHE A 82 5.012 -1.536 10.316 1.00 10.47 C ATOM 797 CD2 PHE A 82 4.434 0.759 10.495 1.00 10.47 C ATOM 798 CE1 PHE A 82 4.784 -1.700 11.671 1.00 14.04 C ATOM 799 CE2 PHE A 82 4.195 0.589 11.857 1.00 13.50 C ATOM 800 CZ PHE A 82 4.371 -0.640 12.427 1.00 13.08 C ATOM 801 H PHE A 82 7.902 -0.985 9.056 1.00 0.00 H ATOM 802 N ILE A 83 6.622 2.522 7.977 1.00 9.85 N ATOM 803 CA ILE A 83 6.922 3.775 8.630 1.00 11.62 C ATOM 804 C ILE A 83 5.636 4.556 8.753 1.00 11.69 C ATOM 805 O ILE A 83 4.633 4.280 8.077 1.00 12.44 O ATOM 806 CB ILE A 83 7.959 4.582 7.836 1.00 13.20 C ATOM 807 CG1 ILE A 83 7.399 4.938 6.463 1.00 11.36 C ATOM 808 CG2 ILE A 83 9.253 3.781 7.652 1.00 18.33 C ATOM 809 CD1 ILE A 83 7.978 6.205 5.876 1.00 23.63 C ATOM 810 H ILE A 83 6.079 2.513 7.090 1.00 0.00 H ATOM 811 N VAL A 84 5.722 5.641 9.499 1.00 9.39 N ATOM 812 CA VAL A 84 4.582 6.489 9.752 1.00 9.47 C ATOM 813 C VAL A 84 4.974 7.900 9.381 1.00 8.26 C ATOM 814 O VAL A 84 6.089 8.342 9.665 1.00 9.34 O ATOM 815 CB VAL A 84 4.210 6.417 11.232 1.00 10.54 C ATOM 816 CG1 VAL A 84 3.040 7.370 11.560 1.00 11.37 C ATOM 817 CG2 VAL A 84 3.885 4.971 11.639 1.00 12.57 C ATOM 818 H VAL A 84 6.640 5.893 9.918 1.00 0.00 H ATOM 819 N ASN A 85 4.046 8.569 8.705 1.00 7.01 N ATOM 820 CA ASN A 85 4.101 9.983 8.421 1.00 7.71 C ATOM 821 C ASN A 85 2.849 10.670 8.955 1.00 7.42 C ATOM 822 O ASN A 85 1.745 10.230 8.643 1.00 9.65 O ATOM 823 CB ASN A 85 4.147 10.172 6.919 1.00 9.70 C ATOM 824 CG ASN A 85 4.344 11.611 6.534 1.00 8.80 C ATOM 825 OD1 ASN A 85 5.176 12.299 7.122 1.00 11.04 O ATOM 826 ND2 ASN A 85 3.577 12.086 5.573 1.00 10.54 N ATOM 827 HD22 ASN A 85 2.887 11.465 5.104 1.00 0.00 H ATOM 828 HD21 ASN A 85 3.662 13.081 5.284 1.00 0.00 H ATOM 829 H ASN A 85 3.223 8.037 8.356 1.00 0.00 H ATOM 830 N THR A 86 3.012 11.735 9.742 1.00 8.20 N ATOM 831 CA THR A 86 1.916 12.521 10.278 1.00 7.74 C ATOM 832 C THR A 86 1.792 13.783 9.457 1.00 7.77 C ATOM 833 O THR A 86 2.770 14.526 9.264 1.00 8.48 O ATOM 834 CB THR A 86 2.187 12.851 11.764 1.00 8.70 C ATOM 835 OG1 THR A 86 2.289 11.641 12.508 1.00 8.90 O ATOM 836 CG2 THR A 86 1.074 13.648 12.360 1.00 8.64 C ATOM 837 HG1 THR A 86 2.463 11.853 13.459 1.00 0.00 H ATOM 838 H THR A 86 3.982 12.019 9.986 1.00 0.00 H ATOM 839 N LEU A 87 0.592 14.017 8.956 1.00 7.97 N ATOM 840 CA LEU A 87 0.275 15.158 8.120 1.00 8.33 C ATOM 841 C LEU A 87 0.124 16.414 8.945 1.00 8.64 C ATOM 842 O LEU A 87 -0.037 16.369 10.171 1.00 8.06 O ATOM 843 CB LEU A 87 -1.029 14.897 7.382 1.00 10.12 C ATOM 844 CG LEU A 87 -1.038 13.599 6.566 1.00 9.98 C ATOM 845 CD1 LEU A 87 -2.341 13.487 5.757 1.00 12.09 C ATOM 846 CD2 LEU A 87 0.159 13.505 5.641 1.00 12.98 C ATOM 847 H LEU A 87 -0.170 13.343 9.174 1.00 0.00 H ATOM 848 N LYS A 88 0.188 17.562 8.283 1.00 9.09 N ATOM 849 CA LYS A 88 0.025 18.823 8.980 1.00 10.77 C ATOM 850 C LYS A 88 -1.277 18.914 9.743 1.00 11.28 C ATOM 851 O LYS A 88 -1.331 19.529 10.814 1.00 12.30 O ATOM 852 CB LYS A 88 0.065 19.967 7.990 1.00 13.47 C ATOM 853 CG LYS A 88 1.387 20.149 7.331 1.00 16.34 C ATOM 854 CD LYS A 88 1.390 21.420 6.478 1.00 14.95 C ATOM 855 CE LYS A 88 0.520 21.284 5.256 1.00 19.38 C ATOM 856 NZ LYS A 88 1.104 20.311 4.309 1.00 36.30 N ATOM 857 HZ1 LYS A 88 2.048 20.636 4.017 1.00 0.00 H ATOM 858 HZ2 LYS A 88 1.184 19.383 4.772 1.00 0.00 H ATOM 859 HZ3 LYS A 88 0.490 20.231 3.473 1.00 0.00 H ATOM 860 H LYS A 88 0.356 17.557 7.257 1.00 0.00 H ATOM 861 N ASP A 89 -2.326 18.283 9.238 1.00 10.39 N ATOM 862 CA ASP A 89 -3.623 18.337 9.876 1.00 10.78 C ATOM 863 C ASP A 89 -3.773 17.372 11.036 1.00 10.53 C ATOM 864 O ASP A 89 -4.787 17.403 11.710 1.00 11.06 O ATOM 865 CB ASP A 89 -4.766 18.155 8.852 1.00 14.22 C ATOM 866 CG ASP A 89 -4.724 16.830 8.133 1.00 14.00 C ATOM 867 OD1 ASP A 89 -4.440 15.778 8.700 1.00 14.61 O ATOM 868 OD2 ASP A 89 -5.059 16.844 6.913 1.00 19.30 O ATOM 869 H ASP A 89 -2.215 17.735 8.361 1.00 0.00 H ATOM 870 N GLY A 90 -2.755 16.539 11.274 1.00 9.02 N ATOM 871 CA GLY A 90 -2.753 15.636 12.416 1.00 9.82 C ATOM 872 C GLY A 90 -2.988 14.182 12.079 1.00 8.28 C ATOM 873 O GLY A 90 -2.748 13.316 12.914 1.00 10.11 O ATOM 874 H GLY A 90 -1.942 16.536 10.625 1.00 0.00 H ATOM 875 N ARG A 91 -3.483 13.899 10.878 1.00 9.90 N ATOM 876 CA ARG A 91 -3.716 12.504 10.478 1.00 11.04 C ATOM 877 C ARG A 91 -2.412 11.741 10.328 1.00 10.28 C ATOM 878 O ARG A 91 -1.414 12.272 9.834 1.00 10.33 O ATOM 879 CB ARG A 91 -4.516 12.430 9.189 1.00 13.33 C ATOM 880 CG ARG A 91 -5.984 12.783 9.352 1.00 15.98 C ATOM 881 CD ARG A 91 -6.673 12.718 8.008 1.00 17.17 C ATOM 882 NE ARG A 91 -6.166 13.743 7.115 1.00 18.23 N ATOM 883 CZ ARG A 91 -6.523 13.892 5.843 1.00 12.84 C ATOM 884 NH1 ARG A 91 -5.989 14.859 5.132 1.00 15.81 N ATOM 885 NH2 ARG A 91 -7.393 13.056 5.279 1.00 22.89 N ATOM 886 HE ARG A 91 -5.470 14.413 7.500 1.00 0.00 H ATOM 887 HH12 ARG A 91 -6.262 14.984 4.136 1.00 0.00 H ATOM 888 HH11 ARG A 91 -5.294 15.500 5.565 1.00 0.00 H ATOM 889 HH22 ARG A 91 -7.665 13.182 4.283 1.00 0.00 H ATOM 890 HH21 ARG A 91 -7.800 12.277 5.834 1.00 0.00 H ATOM 891 H ARG A 91 -3.707 14.670 10.217 1.00 0.00 H ATOM 892 N ARG A 92 -2.428 10.497 10.757 1.00 10.57 N ATOM 893 CA ARG A 92 -1.308 9.609 10.543 1.00 11.05 C ATOM 894 C ARG A 92 -1.533 8.706 9.371 1.00 10.30 C ATOM 895 O ARG A 92 -2.644 8.212 9.140 1.00 13.08 O ATOM 896 CB ARG A 92 -1.032 8.798 11.780 1.00 13.80 C ATOM 897 CG ARG A 92 -0.622 9.761 12.866 1.00 19.99 C ATOM 898 CD ARG A 92 0.249 9.133 13.825 1.00 23.89 C ATOM 899 NE ARG A 92 0.970 10.104 14.655 1.00 19.01 N ATOM 900 CZ ARG A 92 0.986 10.079 15.976 1.00 11.72 C ATOM 901 NH1 ARG A 92 0.293 9.171 16.638 1.00 16.25 N ATOM 902 NH2 ARG A 92 1.729 10.937 16.638 1.00 12.69 N ATOM 903 HE ARG A 92 1.501 10.858 14.174 1.00 0.00 H ATOM 904 HH12 ARG A 92 0.312 9.159 17.678 1.00 0.00 H ATOM 905 HH11 ARG A 92 -0.271 8.468 16.120 1.00 0.00 H ATOM 906 HH22 ARG A 92 1.743 10.919 17.678 1.00 0.00 H ATOM 907 HH21 ARG A 92 2.303 11.634 16.122 1.00 0.00 H ATOM 908 H ARG A 92 -3.266 10.145 11.262 1.00 0.00 H ATOM 909 N VAL A 93 -0.465 8.515 8.618 1.00 9.91 N ATOM 910 CA VAL A 93 -0.458 7.588 7.518 1.00 9.21 C ATOM 911 C VAL A 93 0.579 6.530 7.864 1.00 8.31 C ATOM 912 O VAL A 93 1.540 6.785 8.595 1.00 4.36 O ATOM 913 CB VAL A 93 -0.152 8.316 6.192 1.00 11.50 C ATOM 914 CG1 VAL A 93 -0.124 7.345 5.027 1.00 12.81 C ATOM 915 CG2 VAL A 93 -1.196 9.404 5.938 1.00 13.14 C ATOM 916 H VAL A 93 0.400 9.053 8.827 1.00 0.00 H ATOM 917 N VAL A 94 0.337 5.325 7.380 1.00 8.31 N ATOM 918 CA VAL A 94 1.307 4.242 7.459 1.00 8.95 C ATOM 919 C VAL A 94 1.747 3.867 6.060 1.00 8.62 C ATOM 920 O VAL A 94 0.893 3.591 5.200 1.00 9.89 O ATOM 921 CB VAL A 94 0.658 3.036 8.111 1.00 9.83 C ATOM 922 CG1 VAL A 94 1.635 1.878 8.165 1.00 11.09 C ATOM 923 CG2 VAL A 94 0.162 3.357 9.505 1.00 12.70 C ATOM 924 H VAL A 94 -0.581 5.143 6.926 1.00 0.00 H ATOM 925 N ILE A 95 3.055 3.919 5.793 1.00 8.04 N ATOM 926 CA ILE A 95 3.579 3.462 4.512 1.00 8.84 C ATOM 927 C ILE A 95 4.149 2.059 4.693 1.00 7.31 C ATOM 928 O ILE A 95 5.047 1.841 5.518 1.00 8.45 O ATOM 929 CB ILE A 95 4.660 4.408 3.958 1.00 9.83 C ATOM 930 CG1 ILE A 95 4.178 5.873 3.982 1.00 12.28 C ATOM 931 CG2 ILE A 95 5.059 4.006 2.569 1.00 12.82 C ATOM 932 CD1 ILE A 95 2.988 6.201 3.056 1.00 13.77 C ATOM 933 H ILE A 95 3.709 4.291 6.510 1.00 0.00 H ATOM 934 N LEU A 96 3.607 1.121 3.940 1.00 7.80 N ATOM 935 CA LEU A 96 4.005 -0.275 4.023 1.00 8.03 C ATOM 936 C LEU A 96 5.216 -0.476 3.124 1.00 8.13 C ATOM 937 O LEU A 96 5.129 -0.296 1.894 1.00 8.87 O ATOM 938 CB LEU A 96 2.855 -1.150 3.565 1.00 9.20 C ATOM 939 CG LEU A 96 1.571 -1.012 4.381 1.00 8.19 C ATOM 940 CD1 LEU A 96 0.453 -1.844 3.743 1.00 10.99 C ATOM 941 CD2 LEU A 96 1.764 -1.424 5.815 1.00 10.55 C ATOM 942 H LEU A 96 2.867 1.390 3.261 1.00 0.00 H ATOM 943 N MET A 97 6.353 -0.792 3.719 1.00 7.96 N ATOM 944 CA MET A 97 7.625 -0.884 3.002 1.00 8.00 C ATOM 945 C MET A 97 8.000 -2.298 2.619 1.00 8.67 C ATOM 946 O MET A 97 8.565 -2.491 1.537 1.00 9.49 O ATOM 947 CB MET A 97 8.757 -0.305 3.829 1.00 9.92 C ATOM 948 CG MET A 97 8.566 1.138 4.251 1.00 8.29 C ATOM 949 SD MET A 97 8.308 2.309 2.908 1.00 10.76 S ATOM 950 CE MET A 97 9.817 2.080 1.980 1.00 16.50 C ATOM 951 H MET A 97 6.343 -0.984 4.741 1.00 0.00 H ATOM 952 N GLU A 98 7.712 -3.262 3.475 1.00 8.05 N ATOM 953 CA GLU A 98 7.963 -4.672 3.202 1.00 8.53 C ATOM 954 C GLU A 98 6.788 -5.444 3.722 1.00 7.73 C ATOM 955 O GLU A 98 6.366 -5.249 4.873 1.00 8.78 O ATOM 956 CB GLU A 98 9.209 -5.177 3.915 1.00 10.94 C ATOM 957 CG GLU A 98 10.501 -4.688 3.339 1.00 14.05 C ATOM 958 CD GLU A 98 11.691 -5.390 3.954 1.00 19.19 C ATOM 959 OE1 GLU A 98 11.616 -5.764 5.149 1.00 22.01 O ATOM 960 OE2 GLU A 98 12.690 -5.585 3.236 1.00 20.96 O ATOM 961 H GLU A 98 7.286 -3.003 4.388 1.00 0.00 H ATOM 962 N LEU A 99 6.260 -6.322 2.905 1.00 8.33 N ATOM 963 CA LEU A 99 5.252 -7.216 3.411 1.00 11.43 C ATOM 964 C LEU A 99 5.200 -8.489 2.626 1.00 8.74 C ATOM 965 O LEU A 99 5.745 -8.635 1.516 1.00 14.09 O ATOM 966 CB LEU A 99 3.901 -6.548 3.393 1.00 8.72 C ATOM 967 CG LEU A 99 3.410 -6.229 1.986 1.00 8.48 C ATOM 968 CD1 LEU A 99 2.688 -7.398 1.291 1.00 15.67 C ATOM 969 CD2 LEU A 99 2.491 -5.021 2.018 1.00 13.78 C ATOM 970 H LEU A 99 6.563 -6.372 1.911 1.00 0.00 H ATOM 971 N GLU A 100 4.687 -9.487 3.305 1.00 8.87 N ATOM 972 CA GLU A 100 4.651 -10.846 2.786 1.00 7.94 C ATOM 973 C GLU A 100 3.217 -11.294 2.742 1.00 7.66 C ATOM 974 O GLU A 100 2.498 -11.149 3.745 1.00 10.27 O ATOM 975 CB GLU A 100 5.437 -11.757 3.703 1.00 10.47 C ATOM 976 CG GLU A 100 5.261 -13.237 3.416 1.00 10.23 C ATOM 977 CD GLU A 100 5.954 -14.097 4.455 1.00 11.47 C ATOM 978 OE1 GLU A 100 5.936 -15.336 4.313 1.00 13.98 O ATOM 979 OE2 GLU A 100 6.543 -13.550 5.401 1.00 16.93 O ATOM 980 H GLU A 100 4.292 -9.300 4.249 1.00 0.00 H ATOM 981 N VAL A 101 2.775 -11.847 1.627 1.00 7.79 N ATOM 982 CA VAL A 101 1.442 -12.434 1.557 1.00 8.66 C ATOM 983 C VAL A 101 1.507 -13.839 2.151 1.00 8.39 C ATOM 984 O VAL A 101 2.221 -14.718 1.636 1.00 12.08 O ATOM 985 CB VAL A 101 0.919 -12.444 0.141 1.00 8.92 C ATOM 986 CG1 VAL A 101 -0.459 -13.092 0.083 1.00 13.02 C ATOM 987 CG2 VAL A 101 0.832 -11.023 -0.375 1.00 11.08 C ATOM 988 H VAL A 101 3.387 -11.864 0.786 1.00 0.00 H ATOM 989 N LEU A 102 0.824 -14.087 3.250 1.00 7.71 N ATOM 990 CA LEU A 102 0.806 -15.386 3.884 1.00 8.40 C ATOM 991 C LEU A 102 -0.264 -16.282 3.288 1.00 9.01 C ATOM 992 O LEU A 102 -0.066 -17.494 3.165 1.00 10.08 O ATOM 993 CB LEU A 102 0.522 -15.228 5.371 1.00 8.91 C ATOM 994 CG LEU A 102 1.563 -14.418 6.154 1.00 9.42 C ATOM 995 CD1 LEU A 102 1.163 -14.359 7.612 1.00 10.82 C ATOM 996 CD2 LEU A 102 2.967 -14.970 6.007 1.00 12.05 C ATOM 997 H LEU A 102 0.275 -13.316 3.680 1.00 0.00 H ATOM 998 N LYS A 103 -1.409 -15.712 2.939 1.00 8.32 N ATOM 999 CA LYS A 103 -2.499 -16.460 2.329 1.00 7.50 C ATOM 1000 C LYS A 103 -3.057 -15.602 1.235 1.00 8.28 C ATOM 1001 O LYS A 103 -3.399 -14.439 1.449 1.00 9.07 O ATOM 1002 CB LYS A 103 -3.607 -16.740 3.323 1.00 12.03 C ATOM 1003 CG LYS A 103 -3.214 -17.560 4.500 1.00 18.24 C ATOM 1004 CD LYS A 103 -3.094 -19.042 4.166 1.00 9.47 C ATOM 1005 CE LYS A 103 -4.450 -19.739 4.180 1.00 33.87 C ATOM 1006 NZ LYS A 103 -4.355 -21.173 3.749 1.00 37.76 N ATOM 1007 HZ1 LYS A 103 -3.978 -21.218 2.781 1.00 0.00 H ATOM 1008 HZ2 LYS A 103 -3.721 -21.686 4.394 1.00 0.00 H ATOM 1009 HZ3 LYS A 103 -5.301 -21.605 3.775 1.00 0.00 H ATOM 1010 H LYS A 103 -1.533 -14.693 3.107 1.00 0.00 H ATOM 1011 N SER A 104 -3.152 -16.156 0.047 1.00 8.64 N ATOM 1012 CA SER A 104 -3.690 -15.407 -1.073 1.00 9.03 C ATOM 1013 C SER A 104 -5.164 -15.054 -0.870 1.00 8.88 C ATOM 1014 O SER A 104 -5.897 -15.691 -0.118 1.00 8.51 O ATOM 1015 CB SER A 104 -3.583 -16.223 -2.350 1.00 10.30 C ATOM 1016 OG SER A 104 -4.566 -17.253 -2.314 1.00 13.42 O ATOM 1017 HG SER A 104 -4.507 -17.793 -3.142 1.00 0.00 H ATOM 1018 H SER A 104 -2.839 -17.138 -0.091 1.00 0.00 H ATOM 1019 N ALA A 105 -5.605 -14.049 -1.602 1.00 8.42 N ATOM 1020 CA ALA A 105 -7.009 -13.677 -1.548 1.00 9.07 C ATOM 1021 C ALA A 105 -7.900 -14.862 -1.860 1.00 8.83 C ATOM 1022 O ALA A 105 -8.951 -15.041 -1.255 1.00 9.91 O ATOM 1023 CB ALA A 105 -7.291 -12.581 -2.513 1.00 9.98 C ATOM 1024 H ALA A 105 -4.950 -13.524 -2.216 1.00 0.00 H ATOM 1025 N GLU A 106 -7.486 -15.673 -2.836 1.00 8.70 N ATOM 1026 CA GLU A 106 -8.320 -16.773 -3.302 1.00 9.75 C ATOM 1027 C GLU A 106 -8.402 -17.878 -2.268 1.00 9.82 C ATOM 1028 O GLU A 106 -9.387 -18.604 -2.230 1.00 11.77 O ATOM 1029 CB GLU A 106 -7.794 -17.295 -4.647 1.00 10.56 C ATOM 1030 CG GLU A 106 -7.898 -16.287 -5.807 1.00 9.59 C ATOM 1031 CD GLU A 106 -6.868 -15.157 -5.745 1.00 8.92 C ATOM 1032 OE1 GLU A 106 -5.785 -15.346 -5.155 1.00 14.07 O ATOM 1033 OE2 GLU A 106 -7.177 -14.067 -6.291 1.00 13.40 O ATOM 1034 H GLU A 106 -6.554 -15.517 -3.270 1.00 0.00 H ATOM 1035 N ALA A 107 -7.400 -17.990 -1.412 1.00 9.24 N ATOM 1036 CA ALA A 107 -7.355 -18.986 -0.363 1.00 11.36 C ATOM 1037 C ALA A 107 -8.080 -18.570 0.909 1.00 11.26 C ATOM 1038 O ALA A 107 -8.289 -19.396 1.789 1.00 15.65 O ATOM 1039 CB ALA A 107 -5.897 -19.326 -0.020 1.00 13.43 C ATOM 1040 H ALA A 107 -6.603 -17.328 -1.497 1.00 0.00 H ATOM 1041 N VAL A 108 -8.434 -17.299 1.036 1.00 8.67 N ATOM 1042 CA VAL A 108 -9.148 -16.765 2.190 1.00 9.68 C ATOM 1043 C VAL A 108 -10.592 -16.476 1.785 1.00 10.27 C ATOM 1044 O VAL A 108 -11.541 -17.082 2.333 1.00 14.00 O ATOM 1045 CB VAL A 108 -8.467 -15.509 2.745 1.00 8.86 C ATOM 1046 CG1 VAL A 108 -9.215 -14.999 3.959 1.00 9.63 C ATOM 1047 CG2 VAL A 108 -7.010 -15.792 3.123 1.00 9.90 C ATOM 1048 H VAL A 108 -8.188 -16.644 0.267 1.00 0.00 H ATOM 1049 N GLY A 109 -10.779 -15.565 0.853 1.00 8.99 N ATOM 1050 CA GLY A 109 -12.039 -15.447 0.132 1.00 10.76 C ATOM 1051 C GLY A 109 -13.114 -14.599 0.785 1.00 9.34 C ATOM 1052 O GLY A 109 -14.135 -14.305 0.142 1.00 10.32 O ATOM 1053 H GLY A 109 -10.004 -14.910 0.625 1.00 0.00 H ATOM 1054 N VAL A 110 -12.907 -14.171 2.027 1.00 9.91 N ATOM 1055 CA VAL A 110 -13.934 -13.459 2.779 1.00 11.22 C ATOM 1056 C VAL A 110 -13.243 -12.502 3.739 1.00 8.98 C ATOM 1057 O VAL A 110 -12.095 -12.744 4.137 1.00 9.06 O ATOM 1058 CB VAL A 110 -14.859 -14.407 3.628 1.00 11.19 C ATOM 1059 CG1 VAL A 110 -15.586 -15.404 2.716 1.00 10.23 C ATOM 1060 CG2 VAL A 110 -14.086 -15.103 4.709 1.00 15.59 C ATOM 1061 H VAL A 110 -11.986 -14.349 2.475 1.00 0.00 H ATOM 1062 N LYS A 111 -13.927 -11.441 4.137 1.00 10.40 N ATOM 1063 CA LYS A 111 -13.469 -10.609 5.242 1.00 9.56 C ATOM 1064 C LYS A 111 -13.571 -11.426 6.517 1.00 10.30 C ATOM 1065 O LYS A 111 -14.607 -12.014 6.836 1.00 13.50 O ATOM 1066 CB LYS A 111 -14.343 -9.359 5.330 1.00 10.64 C ATOM 1067 CG LYS A 111 -14.048 -8.512 6.566 1.00 11.63 C ATOM 1068 CD LYS A 111 -14.583 -7.092 6.470 1.00 20.02 C ATOM 1069 CE LYS A 111 -16.084 -7.055 6.446 1.00 22.77 C ATOM 1070 NZ LYS A 111 -16.608 -5.673 6.686 1.00 20.02 N ATOM 1071 HZ1 LYS A 111 -16.287 -5.339 7.617 1.00 0.00 H ATOM 1072 HZ2 LYS A 111 -16.252 -5.035 5.945 1.00 0.00 H ATOM 1073 HZ3 LYS A 111 -17.648 -5.689 6.662 1.00 0.00 H ATOM 1074 H LYS A 111 -14.812 -11.195 3.650 1.00 0.00 H ATOM 1075 N ILE A 112 -12.489 -11.445 7.273 1.00 8.26 N ATOM 1076 CA ILE A 112 -12.413 -12.187 8.504 1.00 8.53 C ATOM 1077 C ILE A 112 -12.988 -11.354 9.636 1.00 8.61 C ATOM 1078 O ILE A 112 -12.637 -10.182 9.824 1.00 9.74 O ATOM 1079 CB ILE A 112 -10.961 -12.510 8.779 1.00 8.13 C ATOM 1080 CG1 ILE A 112 -10.452 -13.536 7.776 1.00 9.55 C ATOM 1081 CG2 ILE A 112 -10.740 -13.006 10.226 1.00 9.91 C ATOM 1082 CD1 ILE A 112 -8.961 -13.626 7.753 1.00 10.64 C ATOM 1083 H ILE A 112 -11.657 -10.901 6.966 1.00 0.00 H ATOM 1084 N GLY A 113 -13.873 -11.949 10.420 1.00 10.38 N ATOM 1085 CA GLY A 113 -14.421 -11.301 11.582 1.00 11.99 C ATOM 1086 C GLY A 113 -15.368 -10.178 11.252 1.00 11.10 C ATOM 1087 O GLY A 113 -15.915 -10.088 10.169 1.00 13.24 O ATOM 1088 H GLY A 113 -14.182 -12.915 10.189 1.00 0.00 H ATOM 1089 N ASN A 114 -15.509 -9.284 12.229 1.00 11.91 N ATOM 1090 CA ASN A 114 -16.407 -8.142 12.125 1.00 12.35 C ATOM 1091 C ASN A 114 -15.710 -6.859 12.562 1.00 6.72 C ATOM 1092 O ASN A 114 -16.142 -6.188 13.517 1.00 13.05 O ATOM 1093 CB ASN A 114 -17.647 -8.379 12.990 1.00 19.22 C ATOM 1094 CG ASN A 114 -18.712 -7.314 12.784 1.00 23.10 C ATOM 1095 OD1 ASN A 114 -18.773 -6.680 11.734 1.00 30.05 O ATOM 1096 ND2 ASN A 114 -19.534 -7.090 13.808 1.00 25.91 N ATOM 1097 HD22 ASN A 114 -19.445 -7.652 14.679 1.00 0.00 H ATOM 1098 HD21 ASN A 114 -20.264 -6.353 13.737 1.00 0.00 H ATOM 1099 H ASN A 114 -14.956 -9.406 13.101 1.00 0.00 H ATOM 1100 N PRO A 115 -14.635 -6.484 11.874 1.00 9.46 N ATOM 1101 CA PRO A 115 -13.877 -5.309 12.298 1.00 9.54 C ATOM 1102 C PRO A 115 -14.648 -4.029 12.091 1.00 8.71 C ATOM 1103 O PRO A 115 -15.412 -3.918 11.147 1.00 11.95 O ATOM 1104 CB PRO A 115 -12.636 -5.388 11.410 1.00 9.23 C ATOM 1105 CG PRO A 115 -13.124 -6.074 10.165 1.00 9.47 C ATOM 1106 CD PRO A 115 -14.030 -7.150 10.710 1.00 9.16 C ATOM 1107 N VAL A 116 -14.420 -3.049 12.963 1.00 9.58 N ATOM 1108 CA VAL A 116 -15.110 -1.770 12.870 1.00 11.75 C ATOM 1109 C VAL A 116 -14.083 -0.673 12.584 1.00 8.79 C ATOM 1110 O VAL A 116 -12.935 -0.809 12.963 1.00 9.20 O ATOM 1111 CB VAL A 116 -15.910 -1.445 14.138 1.00 10.00 C ATOM 1112 CG1 VAL A 116 -16.958 -2.485 14.375 1.00 18.90 C ATOM 1113 CG2 VAL A 116 -15.012 -1.339 15.309 1.00 12.96 C ATOM 1114 H VAL A 116 -13.733 -3.201 13.729 1.00 0.00 H ATOM 1115 N PRO A 117 -14.504 0.409 11.952 1.00 10.46 N ATOM 1116 CA PRO A 117 -13.510 1.438 11.626 1.00 11.12 C ATOM 1117 C PRO A 117 -12.804 1.995 12.843 1.00 9.51 C ATOM 1118 O PRO A 117 -13.428 2.319 13.862 1.00 11.79 O ATOM 1119 CB PRO A 117 -14.350 2.525 10.941 1.00 14.41 C ATOM 1120 CG PRO A 117 -15.492 1.775 10.339 1.00 14.98 C ATOM 1121 CD PRO A 117 -15.810 0.704 11.344 1.00 12.26 C ATOM 1122 N TYR A 118 -11.488 2.144 12.760 1.00 11.06 N ATOM 1123 CA TYR A 118 -10.708 2.759 13.798 1.00 11.08 C ATOM 1124 C TYR A 118 -10.923 4.251 13.777 1.00 13.24 C ATOM 1125 O TYR A 118 -10.937 4.874 12.735 1.00 18.80 O ATOM 1126 CB TYR A 118 -9.228 2.419 13.594 1.00 12.37 C ATOM 1127 CG TYR A 118 -8.350 3.029 14.631 1.00 13.18 C ATOM 1128 CD1 TYR A 118 -8.182 2.430 15.857 1.00 13.77 C ATOM 1129 CD2 TYR A 118 -7.678 4.212 14.375 1.00 15.64 C ATOM 1130 CE1 TYR A 118 -7.373 3.002 16.822 1.00 17.21 C ATOM 1131 CE2 TYR A 118 -6.867 4.793 15.331 1.00 16.70 C ATOM 1132 CZ TYR A 118 -6.722 4.180 16.535 1.00 17.24 C ATOM 1133 OH TYR A 118 -5.913 4.757 17.482 1.00 26.79 O ATOM 1134 HH TYR A 118 -6.256 5.659 17.702 1.00 0.00 H ATOM 1135 H TYR A 118 -11.001 1.801 11.908 1.00 0.00 H ATOM 1136 N ASN A 119 -11.143 4.792 14.971 1.00 14.31 N ATOM 1137 CA ASN A 119 -11.372 6.216 15.180 1.00 20.38 C ATOM 1138 C ASN A 119 -10.070 6.837 15.648 1.00 16.94 C ATOM 1139 O ASN A 119 -9.645 6.607 16.775 1.00 19.69 O ATOM 1140 CB ASN A 119 -12.446 6.475 16.254 1.00 36.80 C ATOM 1141 CG ASN A 119 -13.696 5.618 16.086 1.00 23.29 C ATOM 1142 OD1 ASN A 119 -14.438 5.760 15.116 1.00 28.73 O ATOM 1143 ND2 ASN A 119 -13.958 4.758 17.067 1.00 34.30 N ATOM 1144 HD22 ASN A 119 -13.303 4.670 17.870 1.00 0.00 H ATOM 1145 HD21 ASN A 119 -14.818 4.174 17.031 1.00 0.00 H ATOM 1146 H ASN A 119 -11.152 4.165 15.801 1.00 0.00 H ATOM 1147 N GLU A 120 -9.445 7.620 14.783 1.00 20.62 N ATOM 1148 CA GLU A 120 -8.177 8.261 15.112 1.00 24.27 C ATOM 1149 C GLU A 120 -8.342 9.325 16.180 1.00 20.47 C ATOM 1150 O GLU A 120 -9.329 10.050 16.156 1.00 25.17 O ATOM 1151 CB GLU A 120 -7.616 8.927 13.869 1.00 35.74 C ATOM 1152 CG GLU A 120 -6.236 8.495 13.510 1.00 34.90 C ATOM 1153 CD GLU A 120 -5.769 9.155 12.247 1.00 14.88 C ATOM 1154 OE1 GLU A 120 -4.675 9.710 12.275 1.00 20.37 O ATOM 1155 OE2 GLU A 120 -6.495 9.097 11.232 1.00 25.99 O ATOM 1156 OXT GLU A 120 -7.496 9.503 17.055 1.00 40.30 O ATOM 1157 H GLU A 120 -9.868 7.782 13.847 1.00 0.00 H TER 1158 GLU A 120 HETATM 1159 O HOH 1 -5.489 -13.052 17.126 1.00 9.22 O HETATM 1160 O HOH 2 -10.793 -8.665 8.614 1.00 9.21 O HETATM 1161 O HOH 3 1.941 2.294 -4.102 1.00 10.37 O HETATM 1162 O HOH 4 -6.818 -2.360 16.797 1.00 12.01 O HETATM 1163 O HOH 5 3.692 16.583 7.651 1.00 12.92 O HETATM 1164 O HOH 6 8.407 -1.708 10.837 1.00 15.34 O HETATM 1165 O HOH 7 -10.952 -20.068 -0.556 1.00 14.48 O HETATM 1166 O HOH 8 -11.929 1.898 8.391 1.00 16.81 O HETATM 1167 O HOH 9 -2.300 -18.922 -0.128 1.00 15.94 O HETATM 1168 O HOH 10 -8.227 -21.496 15.625 1.00 15.71 O HETATM 1169 O HOH 11 -5.242 8.759 9.045 1.00 16.44 O HETATM 1170 O HOH 12 -3.934 -12.181 -3.047 1.00 14.91 O HETATM 1171 O HOH 13 -2.546 18.005 6.138 1.00 16.48 O HETATM 1172 O HOH 14 -2.173 6.001 -8.769 1.00 15.35 O HETATM 1173 O HOH 15 9.617 2.348 -3.105 1.00 17.57 O HETATM 1174 O HOH 16 -4.219 -6.531 -6.723 1.00 17.62 O HETATM 1175 O HOH 17 -8.298 9.703 -5.698 1.00 17.32 O HETATM 1176 O HOH 18 5.744 -11.505 -13.545 1.00 16.12 O HETATM 1177 O HOH 19 4.495 -16.374 2.387 1.00 19.62 O HETATM 1178 O HOH 20 -16.735 -5.620 9.481 1.00 19.22 O HETATM 1179 O HOH 21 -11.382 4.123 9.994 1.00 20.17 O HETATM 1180 O HOH 22 -15.004 -5.311 15.954 1.00 16.55 O HETATM 1181 O HOH 23 -3.916 11.289 14.259 1.00 19.54 O HETATM 1182 O HOH 24 3.763 0.834 -10.828 1.00 18.70 O HETATM 1183 O HOH 25 -12.802 -7.571 1.046 1.00 19.38 O HETATM 1184 O HOH 26 -14.101 -20.959 12.625 1.00 22.85 O HETATM 1185 O HOH 27 -5.966 -11.747 -6.683 1.00 19.56 O HETATM 1186 O HOH 28 -7.745 -6.039 -4.822 1.00 20.25 O HETATM 1187 O HOH 29 -7.887 -19.878 13.472 1.00 18.29 O HETATM 1188 O HOH 30 -15.914 3.194 14.405 1.00 21.51 O HETATM 1189 O HOH 31 -13.019 1.069 17.719 1.00 23.88 O HETATM 1190 O HOH 32 0.559 17.441 5.391 1.00 25.21 O HETATM 1191 O HOH 33 6.279 -13.863 12.718 1.00 25.34 O HETATM 1192 O HOH 34 -16.738 -11.440 3.053 1.00 22.56 O HETATM 1193 O HOH 35 10.808 -0.366 -8.750 1.00 18.55 O HETATM 1194 O HOH 36 -3.694 -13.744 -5.429 1.00 21.59 O HETATM 1195 O HOH 37 5.781 15.077 6.418 1.00 22.02 O HETATM 1196 O HOH 38 -13.845 -9.791 14.632 1.00 20.15 O HETATM 1197 O HOH 39 11.168 -5.690 -5.785 1.00 20.88 O HETATM 1198 O HOH 40 -9.535 -10.227 -4.425 1.00 19.09 O HETATM 1199 O HOH 41 -9.926 -20.266 4.819 1.00 28.80 O HETATM 1200 O HOH 42 4.341 -15.493 9.915 1.00 24.18 O HETATM 1201 O HOH 43 -3.167 -1.959 -10.141 1.00 19.28 O HETATM 1202 O HOH 44 -4.366 8.112 -10.477 1.00 21.71 O HETATM 1203 O HOH 45 -10.820 -13.411 -2.527 1.00 22.74 O HETATM 1204 O HOH 46 -0.432 -14.226 -3.218 1.00 22.78 O HETATM 1205 O HOH 47 0.906 8.878 19.406 1.00 27.77 O HETATM 1206 O HOH 48 2.443 10.342 19.320 1.00 27.43 O HETATM 1207 O HOH 49 -9.595 -3.881 -3.912 1.00 26.18 O HETATM 1208 O HOH 50 2.191 -3.715 20.383 1.00 25.43 O HETATM 1209 O HOH 51 -3.029 20.782 5.662 1.00 25.27 O HETATM 1210 O HOH 52 2.875 9.192 -4.565 1.00 24.50 O HETATM 1211 O HOH 53 -8.522 1.438 -0.217 1.00 22.29 O HETATM 1212 O HOH 54 4.321 2.140 -13.180 1.00 29.71 O HETATM 1213 O HOH 55 -1.923 -4.671 -13.744 1.00 30.27 O HETATM 1214 O HOH 56 -3.627 12.768 -4.954 1.00 24.80 O HETATM 1215 O HOH 57 1.968 6.299 15.331 1.00 26.64 O HETATM 1216 O HOH 58 -10.884 1.690 0.617 1.00 31.19 O HETATM 1217 O HOH 59 -6.264 -19.214 7.074 1.00 21.63 O HETATM 1218 O HOH 60 4.029 -12.261 -10.446 1.00 24.51 O HETATM 1219 O HOH 61 -9.351 12.476 21.089 1.00 31.81 O HETATM 1220 O HOH 62 -5.228 7.570 16.985 1.00 38.25 O HETATM 1221 O HOH 63 -11.062 2.746 17.397 1.00 25.39 O HETATM 1222 O HOH 64 -4.504 -17.749 -5.996 1.00 29.49 O HETATM 1223 O HOH 65 -9.551 -20.696 7.085 1.00 32.23 O HETATM 1224 O HOH 66 6.540 -4.035 20.108 1.00 30.53 O HETATM 1225 O HOH 67 1.845 -18.836 4.671 1.00 33.09 O HETATM 1226 O HOH 68 -15.147 -6.899 2.657 1.00 26.25 O HETATM 1227 O HOH 69 4.980 2.431 24.587 1.00 43.80 O HETATM 1228 O HOH 70 -7.043 -21.594 3.090 1.00 27.02 O HETATM 1229 O HOH 71 -13.556 2.968 6.395 1.00 40.57 O HETATM 1230 O HOH 72 1.861 12.988 -17.959 1.00 37.23 O HETATM 1231 O HOH 73 -6.147 9.799 20.308 1.00 31.62 O HETATM 1232 O HOH 74 10.574 1.963 -6.049 1.00 29.91 O HETATM 1233 O HOH 75 -8.937 10.790 6.212 1.00 34.32 O HETATM 1234 O HOH 76 11.952 4.218 -0.507 1.00 31.76 O HETATM 1235 O HOH 77 -1.624 6.586 -11.181 1.00 31.95 O HETATM 1236 O HOH 78 10.257 -4.389 -0.092 1.00 26.21 O HETATM 1237 O HOH 79 -3.055 8.531 15.346 1.00 31.12 O HETATM 1238 O HOH 80 -6.010 -1.513 -6.933 1.00 25.88 O HETATM 1239 O HOH 81 -2.236 -8.873 -13.371 1.00 31.24 O HETATM 1240 O HOH 82 -6.226 -4.448 -6.856 1.00 33.89 O HETATM 1241 O HOH 83 3.659 -15.732 -0.533 1.00 27.57 O HETATM 1242 O HOH 84 12.181 1.020 16.979 1.00 23.03 O HETATM 1243 O HOH 85 8.396 -7.562 16.493 1.00 30.75 O HETATM 1244 O HOH 86 -12.122 -19.041 0.809 1.00 29.72 O HETATM 1245 O HOH 87 7.967 -6.260 19.214 1.00 30.34 O HETATM 1246 O HOH 88 -22.544 -5.442 12.493 1.00 39.74 O HETATM 1247 O HOH 89 -2.730 -21.021 1.671 1.00 31.50 O HETATM 1248 O HOH 90 -7.499 -11.461 -8.927 1.00 44.98 O HETATM 1249 O HOH 91 -4.555 -19.375 -3.997 1.00 26.69 O HETATM 1250 O HOH 92 -10.177 4.446 7.868 1.00 28.56 O HETATM 1251 O HOH 93 -8.775 8.089 10.584 1.00 39.45 O HETATM 1252 O HOH 94 4.228 -3.378 -11.569 1.00 31.03 O HETATM 1253 O HOH 95 -13.889 -7.757 -1.793 1.00 38.02 O HETATM 1254 O HOH 96 -9.458 -15.662 20.849 1.00 39.31 O HETATM 1255 O HOH 97 -14.715 -3.168 5.846 1.00 25.90 O HETATM 1256 O HOH 98 1.340 -3.015 22.695 1.00 51.81 O HETATM 1257 O HOH 99 4.098 7.982 -6.851 1.00 29.33 O HETATM 1258 O HOH 100 -8.776 9.653 19.562 1.00 39.03 O HETATM 1259 O HOH 101 -13.259 -22.663 16.188 1.00 35.67 O HETATM 1260 O HOH 102 12.242 1.501 8.034 1.00 34.30 O HETATM 1261 O HOH 103 -12.745 3.694 4.330 1.00 42.33 O HETATM 1262 O HOH 104 -13.646 5.750 9.665 1.00 35.71 O HETATM 1263 O HOH 105 -1.624 -15.651 -5.837 1.00 46.84 O HETATM 1264 O HOH 106 -7.082 12.424 19.004 1.00 22.55 O HETATM 1265 O HOH 107 7.854 16.523 5.731 1.00 28.35 O HETATM 1266 O HOH 108 4.123 -13.389 -14.599 1.00 24.57 O HETATM 1267 O HOH 109 -14.625 -0.890 7.557 1.00 28.72 O HETATM 1268 O HOH 110 3.844 8.565 18.896 1.00 26.19 O HETATM 1269 O HOH 111 -9.050 -17.710 21.850 1.00 25.57 O HETATM 1270 O HOH 112 5.994 13.721 2.449 1.00 41.30 O HETATM 1271 O HOH 113 10.531 0.958 10.105 1.00 28.85 O HETATM 1272 O HOH 114 -2.553 -20.055 -2.627 1.00 35.35 O HETATM 1273 O HOH 115 4.183 12.421 -0.696 1.00 31.17 O HETATM 1274 O HOH 116 -9.747 9.526 4.226 1.00 30.18 O HETATM 1275 O HOH 117 5.655 -5.678 21.593 1.00 37.99 O HETATM 1276 O HOH 118 -8.754 7.846 21.270 1.00 35.34 O HETATM 1277 O HOH 119 -8.420 6.278 8.582 1.00 36.24 O HETATM 1278 O HOH 120 6.399 11.449 -0.580 1.00 37.92 O HETATM 1279 O HOH 121 6.757 -8.005 20.880 1.00 32.71 O HETATM 1280 O HOH 122 -8.090 -13.995 -9.159 1.00 30.27 O HETATM 1281 O HOH 123 -1.347 17.682 4.263 1.00 37.82 O HETATM 1282 O HOH 124 -16.121 -5.002 4.296 1.00 38.62 O HETATM 1283 O HOH 125 12.843 3.209 3.962 1.00 38.85 O HETATM 1284 O HOH 126 0.938 -13.063 -10.822 1.00 32.18 O HETATM 1285 O HOH 127 -20.289 -4.415 12.132 1.00 45.27 O HETATM 1286 O HOH 128 10.222 -4.990 13.092 1.00 42.34 O HETATM 1287 O HOH 129 -14.492 -2.119 0.867 1.00 45.80 O HETATM 1288 O HOH 130 -6.591 -19.580 -7.531 1.00 40.38 O HETATM 1289 O HOH 131 4.147 14.667 4.093 1.00 39.86 O HETATM 1290 O HOH 132 -13.542 0.349 0.665 1.00 47.98 O HETATM 1291 O HOH 133 -15.526 -9.675 2.140 1.00 38.54 O HETATM 1292 O HOH 134 -17.700 -8.662 3.669 1.00 43.56 O HETATM 1293 O HOH 135 11.748 -2.189 10.611 1.00 42.78 O HETATM 1294 O HOH 136 -6.790 -8.717 -8.053 1.00 40.82 O HETATM 1295 O HOH 137 1.148 24.848 4.711 1.00 51.26 O HETATM 1296 O HOH 138 -8.729 11.152 -0.617 1.00 39.15 O HETATM 1297 O HOH 139 -10.187 -24.615 8.504 1.00 16.60 O HETATM 1298 O HOH 140 -11.041 2.528 -7.439 1.00 25.17 O HETATM 1299 O HOH 141 -9.583 0.415 -7.800 1.00 24.49 O HETATM 1300 O HOH 142 -10.614 -0.796 -5.897 1.00 26.16 O HETATM 1301 O HOH 143 -15.358 -1.854 9.248 1.00 35.58 O HETATM 1302 O HOH 144 -9.073 11.379 18.358 1.00 14.23 O HETATM 1303 O HOH 145 2.858 -12.394 -8.890 1.00 39.17 O HETATM 1304 O HOH 146 1.961 -10.248 -7.684 1.00 25.64 O HETATM 1305 O HOH 147 3.540 24.174 5.945 1.00 19.53 O HETATM 1306 O HOH 148 6.441 26.477 4.513 1.00 39.75 O HETATM 1307 O HOH 149 6.264 24.209 5.069 1.00 37.79 O HETATM 1308 O01 UNN A 150 -7.247 10.072 -3.118 1.00 -0.56 O HETATM 1309 C02 UNN A 150 -6.136 10.636 -3.257 1.00 0.07 C HETATM 1310 C03 UNN A 150 -5.232 10.723 -2.064 1.00 0.07 C HETATM 1311 N04 UNN A 150 -5.591 10.319 -0.863 1.00 -0.19 N HETATM 1312 N05A UNN A 150 -4.620 10.512 -0.025 1.00 -0.15 N HETATM 1313 C06 UNN A 150 -4.723 10.145 1.339 1.00 0.11 C HETATM 1314 C07 UNN A 150 -4.234 8.908 1.717 1.00 -0.01 C HETATM 1315 C08 UNN A 150 -4.309 8.500 3.035 1.00 0.05 C HETATM 1316 CL2 UNN A 150 -3.668 6.920 3.390 1.00 -0.07 CL HETATM 1317 C10 UNN A 150 -4.888 9.322 4.004 1.00 0.05 C HETATM 1318 CL UNN A 150 -4.984 8.836 5.676 1.00 -0.08 CL HETATM 1319 C12 UNN A 150 -5.384 10.558 3.610 1.00 -0.05 C HETATM 1320 C13 UNN A 150 -5.305 10.970 2.282 1.00 -0.02 C HETATM 1321 H UNN A 150 -5.699 11.936 1.989 1.00 0.06 H HETATM 1322 H UNN A 150 -5.839 11.211 4.346 1.00 0.06 H HETATM 1323 H UNN A 150 -3.789 8.255 0.975 1.00 0.06 H HETATM 1324 C14 UNN A 150 -3.547 11.018 -0.635 1.00 0.11 C HETATM 1325 C15 UNN A 150 -2.220 11.401 -0.014 1.00 0.01 C HETATM 1326 C16 UNN A 150 -2.194 11.940 1.258 1.00 -0.06 C HETATM 1327 C17 UNN A 150 -1.000 12.323 1.839 1.00 -0.05 C HETATM 1328 C18 UNN A 150 0.185 12.185 1.148 1.00 0.00 C HETATM 1329 C19 UNN A 150 1.462 12.617 1.830 1.00 0.00 C HETATM 1330 N20 UNN A 150 2.511 11.742 1.446 1.00 0.26 N HETATM 1331 C21 UNN A 150 2.918 10.891 2.509 1.00 0.06 C HETATM 1332 C22 UNN A 150 3.945 9.847 2.080 1.00 0.03 C HETATM 1333 C23 UNN A 150 5.097 9.883 2.848 1.00 -0.05 C HETATM 1334 C24 UNN A 150 6.159 9.031 2.601 1.00 -0.06 C HETATM 1335 C25 UNN A 150 6.056 8.140 1.553 1.00 0.01 C HETATM 1336 C26 UNN A 150 7.143 7.175 1.232 1.00 0.12 C HETATM 1337 C27 UNN A 150 8.329 6.906 1.912 1.00 -0.05 C HETATM 1338 C28 UNN A 150 8.975 5.879 1.151 1.00 -0.05 C HETATM 1339 C29 UNN A 150 8.099 5.639 0.097 1.00 0.15 C HETATM 1340 C30 UNN A 150 8.240 4.666 -1.022 1.00 0.09 C HETATM 1341 O31 UNN A 150 9.241 3.913 -1.056 1.00 -0.56 O HETATM 1342 O32 UNN A 150 7.304 4.644 -1.852 1.00 -0.56 O HETATM 1343 O33 UNN A 150 7.052 6.408 0.174 1.00 -0.25 O HETATM 1344 H UNN A 150 9.931 5.397 1.351 1.00 0.04 H HETATM 1345 H UNN A 150 8.688 7.376 2.826 1.00 0.04 H HETATM 1346 C34 UNN A 150 4.918 8.089 0.777 1.00 -0.05 C HETATM 1347 C35 UNN A 150 3.852 8.939 1.016 1.00 0.05 C HETATM 1348 CL3 UNN A 150 2.447 8.802 -0.015 1.00 -0.08 CL HETATM 1349 H UNN A 150 4.857 7.372 -0.034 1.00 0.06 H HETATM 1350 H UNN A 150 7.051 9.063 3.216 1.00 0.06 H HETATM 1351 H UNN A 150 5.168 10.595 3.662 1.00 0.06 H HETATM 1352 S37 UNN A 150 1.581 10.343 3.545 1.00 -0.11 S HETATM 1353 H UNN A 150 1.944 9.747 4.272 1.00 0.11 H HETATM 1354 H UNN A 150 3.493 11.553 3.173 1.00 0.11 H HETATM 1355 H UNN A 150 3.302 12.293 1.151 1.00 0.21 H HETATM 1356 H UNN A 150 2.193 11.172 0.678 1.00 0.21 H HETATM 1357 H UNN A 150 1.329 12.576 2.921 1.00 0.10 H HETATM 1358 H UNN A 150 1.711 13.645 1.529 1.00 0.10 H HETATM 1359 C38 UNN A 150 0.180 11.652 -0.141 1.00 -0.05 C HETATM 1360 C39 UNN A 150 -1.031 11.270 -0.720 1.00 -0.06 C HETATM 1361 H UNN A 150 -1.044 10.869 -1.727 1.00 0.06 H HETATM 1362 H UNN A 150 1.109 11.536 -0.688 1.00 0.06 H HETATM 1363 H UNN A 150 -0.995 12.734 2.842 1.00 0.06 H HETATM 1364 H UNN A 150 -3.121 12.064 1.806 1.00 0.06 H HETATM 1365 C40 UNN A 150 -3.900 11.200 -2.003 1.00 -0.03 C HETATM 1366 H UNN A 150 -3.292 11.608 -2.809 1.00 0.04 H HETATM 1367 O41 UNN A 150 -5.754 11.099 -4.357 1.00 -0.56 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1308 1309 CONECT 1309 1308 1310 1367 CONECT 1310 1309 1311 1365 CONECT 1311 1310 1312 CONECT 1312 1311 1313 1324 CONECT 1313 1312 1314 1320 CONECT 1314 1313 1315 1323 CONECT 1315 1314 1316 1317 CONECT 1316 1315 CONECT 1317 1315 1318 1319 CONECT 1318 1317 CONECT 1319 1317 1320 1322 CONECT 1320 1313 1319 1321 CONECT 1321 1320 CONECT 1322 1319 CONECT 1323 1314 CONECT 1324 1312 1325 1365 CONECT 1325 1324 1326 1360 CONECT 1326 1325 1327 1364 CONECT 1327 1326 1328 1363 CONECT 1328 1327 1329 1359 CONECT 1329 1328 1330 1357 1358 CONECT 1330 1329 1331 1355 1356 CONECT 1331 1330 1332 1352 1354 CONECT 1332 1331 1333 1347 CONECT 1333 1332 1334 1351 CONECT 1334 1333 1335 1350 CONECT 1335 1334 1336 1346 CONECT 1336 1335 1337 1343 CONECT 1337 1336 1338 1345 CONECT 1338 1337 1339 1344 CONECT 1339 1338 1340 1343 CONECT 1340 1339 1341 1342 CONECT 1341 1340 CONECT 1342 1340 CONECT 1343 1336 1339 CONECT 1344 1338 CONECT 1345 1337 CONECT 1346 1335 1347 1349 CONECT 1347 1332 1346 1348 CONECT 1348 1347 CONECT 1349 1346 CONECT 1350 1334 CONECT 1351 1333 CONECT 1352 1331 1353 CONECT 1353 1352 CONECT 1354 1331 CONECT 1355 1330 CONECT 1356 1330 CONECT 1357 1329 CONECT 1358 1329 CONECT 1359 1328 1360 1362 CONECT 1360 1325 1359 1361 CONECT 1361 1360 CONECT 1362 1359 CONECT 1363 1327 CONECT 1364 1326 CONECT 1365 1310 1324 1366 CONECT 1366 1365 CONECT 1367 1309 MASTER 0 0 0 0 0 0 0 0 1366 1 64 10 END
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Related entries of code: 4o0a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
123aa, >4IJH_1|Chain... *
4ijl
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PDBbind
123aa, >4IJL_1|Chain... at 100%
4luo
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4luv
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PDBbind
123aa, >4LUV_1|Chain... at 100%
4luz
RCSB PDB
PDBbind
123aa, >4LUZ_1|Chain... at 100%
4lw1
RCSB PDB
PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
RCSB PDB
PDBbind
123aa, >4LWC_1|Chain... at 100%
4r4c
RCSB PDB
PDBbind
123aa, >4R4C_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
5e7n
RCSB PDB
PDBbind
123aa, >5E7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4o0a
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Replication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name
2P9
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.19uM
Release Year
2014
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
1
Cl
3
N
3
O
5
S
Molecular Weight
629.918
Exact Mass
628.027
No. of atoms
62
No. of bonds
66
Polar Surface Area
160.97
LOGP Value
6.46 (
Computed with XLOGP3
)
6.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
OC(=O)c1cc(n(n1)c1ccc(c(c1)Cl)Cl)c1ccc(cc1)C[NH2+][C@H](c1ccc(cc1Cl)c1ccc(o1)C(=O)O)S
InChI String
InChI=1S/C29H20Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13,27,33,41H,14H2,(H,36,37)(H,38,39)/p+1/t27-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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