Browse entries in the PDBbind-CN Database
HEADER 4ZZD_COMPLEX COMPND 4ZZD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 65 PRO LYS GLU MET LEU ARG ALA GLN THR ASN VAL ILE LEU SEQRES 2 A 65 LEU ASN VAL LEU LYS GLN GLY ASP ASN TYR VAL TYR GLY SEQRES 3 A 65 ILE ILE LYS GLN VAL LYS GLU ALA SER ASN GLY GLU MET SEQRES 4 A 65 GLU LEU ASN GLU ALA THR LEU TYR THR ILE PHE LYS ARG SEQRES 5 A 65 LEU GLU LYS ASP GLY ILE ILE SER SER TYR TRP GLY ASP SEQRES 1 A 33 ARG LYS TYR TYR ARG LEU THR GLU ILE GLY HIS GLU ASN SEQRES 2 A 33 MET ARG LEU ALA PHE GLU SER TRP SER ARG VAL ASP LYS SEQRES 3 A 33 ILE ILE GLU ASN LEU GLU ALA SEQRES 1 B 65 PRO LYS GLU MET LEU ARG ALA GLN THR ASN VAL ILE LEU SEQRES 2 B 65 LEU ASN VAL LEU LYS GLN GLY ASP ASN TYR VAL TYR GLY SEQRES 3 B 65 ILE ILE LYS GLN VAL LYS GLU ALA SER ASN GLY GLU MET SEQRES 4 B 65 GLU LEU ASN GLU ALA THR LEU TYR THR ILE PHE LYS ARG SEQRES 5 B 65 LEU GLU LYS ASP GLY ILE ILE SER SER TYR TRP GLY ASP SEQRES 1 B 33 ARG LYS TYR TYR ARG LEU THR GLU ILE GLY HIS GLU ASN SEQRES 2 B 33 MET ARG LEU ALA PHE GLU SER TRP SER ARG VAL ASP LYS SEQRES 3 B 33 ILE ILE GLU ASN LEU GLU ALA HET RBF A 227 47 ATOM 1 N PRO A 5 -11.314 5.681 92.384 1.00 80.37 N ATOM 2 CA PRO A 5 -10.598 4.536 91.805 1.00 75.13 C ATOM 3 C PRO A 5 -10.037 3.622 92.897 1.00 74.92 C ATOM 4 O PRO A 5 -8.870 3.741 93.278 1.00 74.98 O ATOM 5 CB PRO A 5 -9.460 5.208 91.038 1.00 65.91 C ATOM 6 CG PRO A 5 -9.154 6.444 91.874 1.00 73.18 C ATOM 7 CD PRO A 5 -10.438 6.856 92.561 1.00 71.26 C ATOM 8 HN2 PRO A 5 -11.695 5.404 93.311 1.00 0.00 H ATOM 9 HN1 PRO A 5 -12.098 5.940 91.752 1.00 0.00 H ATOM 10 N LYS A 6 -10.873 2.706 93.370 1.00 77.91 N ATOM 11 CA LYS A 6 -10.593 1.902 94.551 1.00 80.97 C ATOM 12 C LYS A 6 -9.282 1.133 94.497 1.00 70.95 C ATOM 13 O LYS A 6 -8.540 1.088 95.488 1.00 58.97 O ATOM 14 CB LYS A 6 -11.738 0.910 94.786 1.00100.92 C ATOM 15 CG LYS A 6 -13.119 1.514 94.615 1.00117.30 C ATOM 16 CD LYS A 6 -13.330 2.683 95.565 1.00123.84 C ATOM 17 CE LYS A 6 -14.531 3.521 95.143 1.00126.42 C ATOM 18 NZ LYS A 6 -15.050 4.343 96.270 1.00125.91 N ATOM 19 HZ1 LYS A 6 -15.343 3.718 97.048 1.00 0.00 H ATOM 20 HZ2 LYS A 6 -14.302 4.985 96.603 1.00 0.00 H ATOM 21 HZ3 LYS A 6 -15.866 4.899 95.945 1.00 0.00 H ATOM 22 H LYS A 6 -11.773 2.555 92.872 1.00 0.00 H ATOM 23 N GLU A 7 -8.994 0.515 93.357 1.00 64.12 N ATOM 24 CA GLU A 7 -7.854 -0.391 93.311 1.00 67.38 C ATOM 25 C GLU A 7 -6.522 0.297 92.983 1.00 64.29 C ATOM 26 O GLU A 7 -5.456 -0.322 93.101 1.00 47.91 O ATOM 27 CB GLU A 7 -8.138 -1.604 92.419 1.00 80.19 C ATOM 28 CG GLU A 7 -9.117 -2.602 93.062 1.00 98.70 C ATOM 29 CD GLU A 7 -8.539 -3.295 94.304 1.00109.61 C ATOM 30 OE1 GLU A 7 -7.340 -3.650 94.288 1.00120.09 O ATOM 31 OE2 GLU A 7 -9.282 -3.492 95.293 1.00102.08 O ATOM 32 H GLU A 7 -9.574 0.676 92.509 1.00 0.00 H ATOM 33 N MET A 8 -6.583 1.575 92.597 1.00 57.50 N ATOM 34 CA MET A 8 -5.375 2.401 92.520 1.00 40.18 C ATOM 35 C MET A 8 -4.952 2.905 93.901 1.00 36.50 C ATOM 36 O MET A 8 -3.766 2.893 94.239 1.00 50.28 O ATOM 37 CB MET A 8 -5.553 3.573 91.564 1.00 40.22 C ATOM 38 CG MET A 8 -4.242 4.264 91.240 1.00 51.09 C ATOM 39 SD MET A 8 -4.408 5.742 90.217 1.00 80.63 S ATOM 40 CE MET A 8 -5.341 6.818 91.308 1.00 53.94 C ATOM 41 H MET A 8 -7.503 1.990 92.347 1.00 0.00 H ATOM 42 N LEU A 9 -5.918 3.347 94.700 1.00 38.94 N ATOM 43 CA LEU A 9 -5.650 3.698 96.098 1.00 49.40 C ATOM 44 C LEU A 9 -5.084 2.502 96.861 1.00 31.72 C ATOM 45 O LEU A 9 -4.152 2.633 97.659 1.00 31.22 O ATOM 46 CB LEU A 9 -6.929 4.183 96.782 1.00 68.02 C ATOM 47 CG LEU A 9 -6.774 4.602 98.247 1.00 62.00 C ATOM 48 CD1 LEU A 9 -5.952 5.888 98.335 1.00 51.00 C ATOM 49 CD2 LEU A 9 -8.139 4.768 98.911 1.00 44.64 C ATOM 50 H LEU A 9 -6.883 3.446 94.326 1.00 0.00 H ATOM 51 N ARG A 10 -5.654 1.332 96.598 1.00 33.78 N ATOM 52 CA ARG A 10 -5.172 0.081 97.174 1.00 33.56 C ATOM 53 C ARG A 10 -3.696 -0.147 96.806 1.00 37.26 C ATOM 54 O ARG A 10 -2.873 -0.419 97.672 1.00 32.59 O ATOM 55 CB ARG A 10 -6.059 -1.087 96.703 1.00 38.45 C ATOM 56 CG ARG A 10 -5.487 -2.498 96.914 1.00 51.26 C ATOM 57 CD ARG A 10 -5.641 -2.967 98.356 1.00 69.96 C ATOM 58 NE ARG A 10 -5.198 -4.350 98.559 1.00 88.09 N ATOM 59 CZ ARG A 10 -3.924 -4.718 98.698 1.00 91.06 C ATOM 60 NH1 ARG A 10 -2.959 -3.804 98.641 1.00 91.92 N ATOM 61 NH2 ARG A 10 -3.613 -5.997 98.888 1.00 79.98 N ATOM 62 HE ARG A 10 -5.925 -5.093 98.597 1.00 0.00 H ATOM 63 HH12 ARG A 10 -1.965 -4.090 98.749 1.00 0.00 H ATOM 64 HH11 ARG A 10 -3.199 -2.804 98.488 1.00 0.00 H ATOM 65 HH22 ARG A 10 -2.618 -6.280 98.996 1.00 0.00 H ATOM 66 HH21 ARG A 10 -4.365 -6.714 98.929 1.00 0.00 H ATOM 67 H ARG A 10 -6.474 1.306 95.958 1.00 0.00 H ATOM 68 N ALA A 11 -3.369 -0.021 95.521 1.00 32.79 N ATOM 69 CA ALA A 11 -1.992 -0.169 95.059 1.00 31.40 C ATOM 70 C ALA A 11 -1.056 0.843 95.721 1.00 30.89 C ATOM 71 O ALA A 11 0.049 0.499 96.169 1.00 32.49 O ATOM 72 CB ALA A 11 -1.934 -0.028 93.544 1.00 31.20 C ATOM 73 H ALA A 11 -4.115 0.189 94.828 1.00 0.00 H ATOM 74 N GLN A 12 -1.509 2.092 95.783 1.00 28.16 N ATOM 75 CA GLN A 12 -0.739 3.167 96.408 1.00 30.16 C ATOM 76 C GLN A 12 -0.445 2.880 97.876 1.00 24.97 C ATOM 77 O GLN A 12 0.675 3.066 98.344 1.00 21.90 O ATOM 78 CB GLN A 12 -1.462 4.500 96.216 1.00 32.45 C ATOM 79 CG GLN A 12 -1.503 4.899 94.724 1.00 25.93 C ATOM 80 CD GLN A 12 -2.289 6.168 94.441 1.00 38.11 C ATOM 81 OE1 GLN A 12 -2.948 6.721 95.326 1.00 39.66 O ATOM 82 NE2 GLN A 12 -2.222 6.637 93.192 1.00 38.06 N ATOM 83 HE22 GLN A 12 -1.654 6.137 92.479 1.00 0.00 H ATOM 84 HE21 GLN A 12 -2.738 7.502 92.933 1.00 0.00 H ATOM 85 H GLN A 12 -2.440 2.311 95.374 1.00 0.00 H ATOM 86 N THR A 13 -1.445 2.381 98.584 1.00 23.01 N ATOM 87 CA THR A 13 -1.311 2.122 100.003 1.00 23.67 C ATOM 88 C THR A 13 -0.329 0.979 100.236 1.00 32.46 C ATOM 89 O THR A 13 0.442 0.986 101.199 1.00 33.67 O ATOM 90 CB THR A 13 -2.680 1.771 100.616 1.00 23.14 C ATOM 91 OG1 THR A 13 -3.618 2.816 100.305 1.00 31.83 O ATOM 92 CG2 THR A 13 -2.558 1.595 102.142 1.00 22.81 C ATOM 93 HG1 THR A 13 -3.704 2.899 99.322 1.00 0.00 H ATOM 94 H THR A 13 -2.347 2.170 98.111 1.00 0.00 H ATOM 95 N ASN A 14 -0.380 -0.009 99.349 1.00 29.32 N ATOM 96 CA ASN A 14 0.514 -1.170 99.378 1.00 23.27 C ATOM 97 C ASN A 14 1.998 -0.758 99.293 1.00 29.29 C ATOM 98 O ASN A 14 2.833 -1.164 100.109 1.00 28.35 O ATOM 99 CB ASN A 14 0.155 -2.077 98.201 1.00 46.64 C ATOM 100 CG ASN A 14 0.444 -3.529 98.471 1.00 58.03 C ATOM 101 OD1 ASN A 14 -0.357 -4.227 99.095 1.00 48.71 O ATOM 102 ND2 ASN A 14 1.587 -4.005 97.978 1.00 66.41 N ATOM 103 HD22 ASN A 14 2.231 -3.376 97.458 1.00 0.00 H ATOM 104 HD21 ASN A 14 1.835 -5.006 98.113 1.00 0.00 H ATOM 105 H ASN A 14 -1.093 0.044 98.593 1.00 0.00 H ATOM 106 N VAL A 15 2.302 0.063 98.292 1.00 22.19 N ATOM 107 CA VAL A 15 3.641 0.574 98.046 1.00 32.43 C ATOM 108 C VAL A 15 4.171 1.344 99.242 1.00 27.20 C ATOM 109 O VAL A 15 5.346 1.234 99.611 1.00 31.28 O ATOM 110 CB VAL A 15 3.615 1.532 96.835 1.00 34.81 C ATOM 111 CG1 VAL A 15 4.955 2.233 96.672 1.00 36.91 C ATOM 112 CG2 VAL A 15 3.232 0.765 95.587 1.00 31.25 C ATOM 113 H VAL A 15 1.539 0.356 97.649 1.00 0.00 H ATOM 114 N ILE A 16 3.292 2.150 99.825 1.00 21.17 N ATOM 115 CA ILE A 16 3.633 2.977 100.974 1.00 25.32 C ATOM 116 C ILE A 16 3.949 2.112 102.194 1.00 24.62 C ATOM 117 O ILE A 16 4.986 2.298 102.835 1.00 29.58 O ATOM 118 CB ILE A 16 2.497 3.974 101.278 1.00 21.37 C ATOM 119 CG1 ILE A 16 2.495 5.089 100.220 1.00 20.83 C ATOM 120 CG2 ILE A 16 2.663 4.572 102.670 1.00 20.48 C ATOM 121 CD1 ILE A 16 1.289 6.025 100.309 1.00 24.96 C ATOM 122 H ILE A 16 2.324 2.192 99.447 1.00 0.00 H ATOM 123 N LEU A 17 3.052 1.170 102.493 1.00 19.07 N ATOM 124 CA LEU A 17 3.218 0.221 103.596 1.00 21.16 C ATOM 125 C LEU A 17 4.496 -0.593 103.453 1.00 21.10 C ATOM 126 O LEU A 17 5.231 -0.777 104.419 1.00 22.65 O ATOM 127 CB LEU A 17 2.002 -0.713 103.693 1.00 20.27 C ATOM 128 CG LEU A 17 0.698 0.044 103.997 1.00 27.07 C ATOM 129 CD1 LEU A 17 -0.507 -0.878 104.172 1.00 24.25 C ATOM 130 CD2 LEU A 17 0.890 0.912 105.244 1.00 20.03 C ATOM 131 H LEU A 17 2.191 1.107 101.913 1.00 0.00 H ATOM 132 N LEU A 18 4.769 -1.077 102.247 1.00 24.73 N ATOM 133 CA LEU A 18 6.001 -1.815 102.022 1.00 28.28 C ATOM 134 C LEU A 18 7.232 -0.935 102.248 1.00 26.47 C ATOM 135 O LEU A 18 8.229 -1.375 102.821 1.00 28.81 O ATOM 136 CB LEU A 18 6.009 -2.414 100.624 1.00 31.31 C ATOM 137 CG LEU A 18 4.987 -3.549 100.545 1.00 32.76 C ATOM 138 CD1 LEU A 18 4.748 -4.011 99.090 1.00 31.67 C ATOM 139 CD2 LEU A 18 5.411 -4.702 101.453 1.00 20.86 C ATOM 140 H LEU A 18 4.101 -0.928 101.464 1.00 0.00 H ATOM 141 N ASN A 19 7.160 0.308 101.801 1.00 19.83 N ATOM 142 CA ASN A 19 8.265 1.237 102.021 1.00 26.72 C ATOM 143 C ASN A 19 8.501 1.618 103.487 1.00 27.57 C ATOM 144 O ASN A 19 9.650 1.782 103.893 1.00 32.68 O ATOM 145 CB ASN A 19 8.119 2.478 101.146 1.00 22.50 C ATOM 146 CG ASN A 19 8.820 2.314 99.817 1.00 35.12 C ATOM 147 OD1 ASN A 19 10.056 2.355 99.745 1.00 39.27 O ATOM 148 ND2 ASN A 19 8.041 2.103 98.757 1.00 29.20 N ATOM 149 HD22 ASN A 19 7.007 2.077 98.868 1.00 0.00 H ATOM 150 HD21 ASN A 19 8.467 1.964 97.818 1.00 0.00 H ATOM 151 H ASN A 19 6.312 0.625 101.290 1.00 0.00 H ATOM 152 N VAL A 20 7.428 1.746 104.273 1.00 24.40 N ATOM 153 CA VAL A 20 7.564 1.932 105.716 1.00 28.41 C ATOM 154 C VAL A 20 8.327 0.760 106.320 1.00 28.17 C ATOM 155 O VAL A 20 9.285 0.947 107.078 1.00 25.88 O ATOM 156 CB VAL A 20 6.193 1.997 106.429 1.00 28.83 C ATOM 157 CG1 VAL A 20 6.387 1.899 107.927 1.00 19.58 C ATOM 158 CG2 VAL A 20 5.441 3.261 106.059 1.00 29.29 C ATOM 159 H VAL A 20 6.479 1.713 103.850 1.00 0.00 H ATOM 160 N LEU A 21 7.887 -0.450 105.981 1.00 23.79 N ATOM 161 CA LEU A 21 8.509 -1.667 106.481 1.00 26.75 C ATOM 162 C LEU A 21 9.950 -1.783 106.011 1.00 40.50 C ATOM 163 O LEU A 21 10.800 -2.333 106.712 1.00 31.23 O ATOM 164 CB LEU A 21 7.747 -2.909 106.014 1.00 23.00 C ATOM 165 CG LEU A 21 6.350 -3.113 106.596 1.00 29.26 C ATOM 166 CD1 LEU A 21 5.893 -4.530 106.281 1.00 23.24 C ATOM 167 CD2 LEU A 21 6.343 -2.853 108.103 1.00 18.36 C ATOM 168 H LEU A 21 7.073 -0.528 105.338 1.00 0.00 H ATOM 169 N LYS A 22 10.222 -1.280 104.811 1.00 42.49 N ATOM 170 CA LYS A 22 11.584 -1.273 104.317 1.00 28.72 C ATOM 171 C LYS A 22 12.489 -0.431 105.227 1.00 31.00 C ATOM 172 O LYS A 22 13.641 -0.787 105.453 1.00 24.61 O ATOM 173 CB LYS A 22 11.656 -0.783 102.873 1.00 31.48 C ATOM 174 CG LYS A 22 13.070 -0.908 102.298 1.00 38.88 C ATOM 175 CD LYS A 22 13.165 -0.374 100.884 1.00 37.05 C ATOM 176 CE LYS A 22 14.474 0.392 100.704 1.00 46.01 C ATOM 177 NZ LYS A 22 14.556 1.039 99.359 1.00 50.80 N ATOM 178 HZ1 LYS A 22 14.499 0.309 98.620 1.00 0.00 H ATOM 179 HZ2 LYS A 22 13.767 1.708 99.249 1.00 0.00 H ATOM 180 HZ3 LYS A 22 15.459 1.549 99.275 1.00 0.00 H ATOM 181 H LYS A 22 9.456 -0.891 104.226 1.00 0.00 H ATOM 182 N GLN A 23 11.966 0.673 105.761 1.00 37.49 N ATOM 183 CA GLN A 23 12.743 1.498 106.696 1.00 43.59 C ATOM 184 C GLN A 23 13.051 0.775 108.020 1.00 43.99 C ATOM 185 O GLN A 23 14.075 1.038 108.637 1.00 42.37 O ATOM 186 CB GLN A 23 12.082 2.867 106.963 1.00 26.18 C ATOM 187 CG GLN A 23 11.764 3.677 105.703 1.00 45.06 C ATOM 188 CD GLN A 23 12.807 3.516 104.594 1.00 62.30 C ATOM 189 OE1 GLN A 23 14.029 3.598 104.836 1.00 53.84 O ATOM 190 NE2 GLN A 23 12.323 3.284 103.362 1.00 43.53 N ATOM 191 HE22 GLN A 23 11.296 3.224 103.210 1.00 0.00 H ATOM 192 HE21 GLN A 23 12.975 3.164 102.561 1.00 0.00 H ATOM 193 H GLN A 23 10.996 0.954 105.513 1.00 0.00 H ATOM 194 N GLY A 24 12.163 -0.126 108.445 1.00 40.46 N ATOM 195 CA GLY A 24 12.343 -0.907 109.668 1.00 35.86 C ATOM 196 C GLY A 24 11.087 -1.692 110.071 1.00 33.43 C ATOM 197 O GLY A 24 9.975 -1.331 109.654 1.00 29.86 O ATOM 198 H GLY A 24 11.303 -0.280 107.880 1.00 0.00 H ATOM 199 N ASP A 25 11.247 -2.765 110.857 1.00 32.80 N ATOM 200 CA ASP A 25 10.089 -3.495 111.419 1.00 31.72 C ATOM 201 C ASP A 25 9.230 -2.496 112.186 1.00 30.35 C ATOM 202 O ASP A 25 9.768 -1.590 112.818 1.00 29.72 O ATOM 203 CB ASP A 25 10.530 -4.587 112.407 1.00 29.54 C ATOM 204 CG ASP A 25 11.336 -5.690 111.757 1.00 22.23 C ATOM 205 OD1 ASP A 25 11.692 -5.576 110.560 1.00 22.46 O ATOM 206 OD2 ASP A 25 11.627 -6.674 112.465 1.00 34.86 O ATOM 207 H ASP A 25 12.209 -3.093 111.078 1.00 0.00 H ATOM 208 N ASN A 26 7.907 -2.656 112.142 1.00 28.26 N ATOM 209 CA ASN A 26 7.011 -1.681 112.765 1.00 20.41 C ATOM 210 C ASN A 26 5.681 -2.319 113.125 1.00 18.86 C ATOM 211 O ASN A 26 5.370 -3.408 112.655 1.00 28.57 O ATOM 212 CB ASN A 26 6.765 -0.489 111.815 1.00 17.92 C ATOM 213 CG ASN A 26 6.825 0.859 112.529 1.00 31.15 C ATOM 214 OD1 ASN A 26 6.226 1.046 113.597 1.00 30.19 O ATOM 215 ND2 ASN A 26 7.553 1.811 111.934 1.00 30.36 N ATOM 216 HD22 ASN A 26 8.039 1.609 111.037 1.00 0.00 H ATOM 217 HD21 ASN A 26 7.632 2.753 112.368 1.00 0.00 H ATOM 218 H ASN A 26 7.506 -3.485 111.658 1.00 0.00 H ATOM 219 N TYR A 27 4.896 -1.628 113.948 1.00 34.78 N ATOM 220 CA TYR A 27 3.565 -2.094 114.325 1.00 26.26 C ATOM 221 C TYR A 27 2.515 -1.112 113.804 1.00 26.86 C ATOM 222 O TYR A 27 2.828 0.052 113.500 1.00 26.83 O ATOM 223 CB TYR A 27 3.454 -2.250 115.845 1.00 26.68 C ATOM 224 CG TYR A 27 3.603 -0.951 116.605 1.00 33.40 C ATOM 225 CD1 TYR A 27 4.851 -0.360 116.776 1.00 32.96 C ATOM 226 CD2 TYR A 27 2.493 -0.312 117.157 1.00 43.56 C ATOM 227 CE1 TYR A 27 4.994 0.844 117.480 1.00 41.33 C ATOM 228 CE2 TYR A 27 2.624 0.886 117.862 1.00 49.12 C ATOM 229 CZ TYR A 27 3.876 1.457 118.020 1.00 50.36 C ATOM 230 OH TYR A 27 4.014 2.642 118.710 1.00 56.16 O ATOM 231 HH TYR A 27 4.969 2.904 118.726 1.00 0.00 H ATOM 232 H TYR A 27 5.242 -0.727 114.335 1.00 0.00 H ATOM 233 N VAL A 28 1.269 -1.578 113.712 1.00 26.43 N ATOM 234 CA VAL A 28 0.228 -0.874 112.972 1.00 24.73 C ATOM 235 C VAL A 28 0.128 0.613 113.310 1.00 38.41 C ATOM 236 O VAL A 28 0.101 1.464 112.410 1.00 35.95 O ATOM 237 CB VAL A 28 -1.137 -1.553 113.156 1.00 31.63 C ATOM 238 CG1 VAL A 28 -2.236 -0.713 112.539 1.00 27.71 C ATOM 239 CG2 VAL A 28 -1.102 -2.954 112.525 1.00 34.19 C ATOM 240 H VAL A 28 1.032 -2.474 114.184 1.00 0.00 H ATOM 241 N TYR A 29 0.079 0.926 114.599 1.00 20.64 N ATOM 242 CA TYR A 29 -0.066 2.310 115.032 1.00 39.91 C ATOM 243 C TYR A 29 1.171 3.117 114.662 1.00 35.21 C ATOM 244 O TYR A 29 1.056 4.271 114.254 1.00 37.78 O ATOM 245 CB TYR A 29 -0.309 2.388 116.544 1.00 53.61 C ATOM 246 CG TYR A 29 -1.623 1.798 117.010 1.00 68.51 C ATOM 247 CD1 TYR A 29 -2.825 2.147 116.398 1.00 54.77 C ATOM 248 CD2 TYR A 29 -1.659 0.884 118.063 1.00 77.35 C ATOM 249 CE1 TYR A 29 -4.027 1.608 116.828 1.00 74.49 C ATOM 250 CE2 TYR A 29 -2.858 0.336 118.500 1.00 80.23 C ATOM 251 CZ TYR A 29 -4.039 0.702 117.879 1.00 87.51 C ATOM 252 OH TYR A 29 -5.231 0.162 118.309 1.00 89.57 O ATOM 253 HH TYR A 29 -5.973 0.526 117.763 1.00 0.00 H ATOM 254 H TYR A 29 0.145 0.171 115.312 1.00 0.00 H ATOM 255 N GLY A 30 2.351 2.512 114.810 1.00 28.82 N ATOM 256 CA GLY A 30 3.594 3.187 114.462 1.00 33.03 C ATOM 257 C GLY A 30 3.645 3.554 112.984 1.00 30.63 C ATOM 258 O GLY A 30 4.059 4.654 112.616 1.00 37.29 O ATOM 259 H GLY A 30 2.384 1.541 115.181 1.00 0.00 H ATOM 260 N ILE A 31 3.206 2.619 112.147 1.00 28.86 N ATOM 261 CA ILE A 31 3.148 2.783 110.701 1.00 23.36 C ATOM 262 C ILE A 31 2.204 3.928 110.318 1.00 30.77 C ATOM 263 O ILE A 31 2.536 4.785 109.499 1.00 40.36 O ATOM 264 CB ILE A 31 2.682 1.448 110.059 1.00 22.26 C ATOM 265 CG1 ILE A 31 3.754 0.369 110.274 1.00 23.57 C ATOM 266 CG2 ILE A 31 2.358 1.613 108.588 1.00 17.87 C ATOM 267 CD1 ILE A 31 3.312 -1.052 109.877 1.00 26.04 C ATOM 268 H ILE A 31 2.884 1.715 112.549 1.00 0.00 H ATOM 269 N ILE A 32 1.027 3.933 110.928 1.00 28.67 N ATOM 270 CA ILE A 32 0.015 4.949 110.683 1.00 29.39 C ATOM 271 C ILE A 32 0.512 6.343 111.053 1.00 30.80 C ATOM 272 O ILE A 32 0.213 7.313 110.361 1.00 35.59 O ATOM 273 CB ILE A 32 -1.263 4.626 111.475 1.00 34.84 C ATOM 274 CG1 ILE A 32 -1.925 3.373 110.891 1.00 28.61 C ATOM 275 CG2 ILE A 32 -2.220 5.833 111.490 1.00 25.41 C ATOM 276 CD1 ILE A 32 -3.105 2.885 111.714 1.00 34.91 C ATOM 277 H ILE A 32 0.818 3.178 111.612 1.00 0.00 H ATOM 278 N LYS A 33 1.273 6.442 112.140 1.00 30.16 N ATOM 279 CA LYS A 33 1.873 7.717 112.539 1.00 34.64 C ATOM 280 C LYS A 33 2.915 8.197 111.520 1.00 38.60 C ATOM 281 O LYS A 33 2.915 9.357 111.104 1.00 32.12 O ATOM 282 CB LYS A 33 2.526 7.608 113.922 1.00 35.60 C ATOM 283 CG LYS A 33 3.554 8.716 114.190 1.00 56.13 C ATOM 284 CD LYS A 33 3.550 9.167 115.655 1.00 78.81 C ATOM 285 CE LYS A 33 4.133 10.583 115.833 1.00 86.68 C ATOM 286 NZ LYS A 33 5.620 10.611 115.966 1.00 87.12 N ATOM 287 HZ1 LYS A 33 5.903 10.054 116.797 1.00 0.00 H ATOM 288 HZ2 LYS A 33 6.051 10.205 115.111 1.00 0.00 H ATOM 289 HZ3 LYS A 33 5.938 11.594 116.082 1.00 0.00 H ATOM 290 H LYS A 33 1.446 5.595 112.719 1.00 0.00 H ATOM 291 N GLN A 34 3.807 7.292 111.137 1.00 30.29 N ATOM 292 CA GLN A 34 4.857 7.593 110.183 1.00 30.36 C ATOM 293 C GLN A 34 4.269 8.001 108.832 1.00 33.22 C ATOM 294 O GLN A 34 4.771 8.928 108.188 1.00 29.42 O ATOM 295 CB GLN A 34 5.769 6.372 110.022 1.00 34.96 C ATOM 296 CG GLN A 34 7.228 6.703 109.861 1.00 53.27 C ATOM 297 CD GLN A 34 8.109 5.602 110.401 1.00 68.69 C ATOM 298 OE1 GLN A 34 8.039 5.270 111.590 1.00 78.72 O ATOM 299 NE2 GLN A 34 8.938 5.013 109.529 1.00 52.02 N ATOM 300 HE22 GLN A 34 8.960 5.328 108.538 1.00 0.00 H ATOM 301 HE21 GLN A 34 9.559 4.240 109.843 1.00 0.00 H ATOM 302 H GLN A 34 3.751 6.333 111.535 1.00 0.00 H ATOM 303 N VAL A 35 3.207 7.322 108.399 1.00 23.09 N ATOM 304 CA VAL A 35 2.617 7.665 107.112 1.00 29.45 C ATOM 305 C VAL A 35 1.909 9.023 107.181 1.00 35.82 C ATOM 306 O VAL A 35 1.973 9.812 106.231 1.00 33.63 O ATOM 307 CB VAL A 35 1.692 6.556 106.542 1.00 18.85 C ATOM 308 CG1 VAL A 35 0.930 7.066 105.336 1.00 20.13 C ATOM 309 CG2 VAL A 35 2.511 5.310 106.167 1.00 16.64 C ATOM 310 H VAL A 35 2.804 6.555 108.974 1.00 0.00 H ATOM 311 N LYS A 36 1.260 9.314 108.306 1.00 36.43 N ATOM 312 CA LYS A 36 0.590 10.605 108.462 1.00 42.00 C ATOM 313 C LYS A 36 1.590 11.771 108.481 1.00 41.89 C ATOM 314 O LYS A 36 1.330 12.841 107.925 1.00 35.43 O ATOM 315 CB LYS A 36 -0.288 10.635 109.719 1.00 37.60 C ATOM 316 CG LYS A 36 -1.002 11.966 109.919 1.00 41.08 C ATOM 317 CD LYS A 36 -2.047 11.889 111.031 1.00 65.52 C ATOM 318 CE LYS A 36 -2.528 13.280 111.462 1.00 74.09 C ATOM 319 NZ LYS A 36 -1.549 13.964 112.356 1.00 75.76 N ATOM 320 HZ1 LYS A 36 -1.405 13.392 113.213 1.00 0.00 H ATOM 321 HZ2 LYS A 36 -0.644 14.075 111.856 1.00 0.00 H ATOM 322 HZ3 LYS A 36 -1.918 14.900 112.620 1.00 0.00 H ATOM 323 H LYS A 36 1.229 8.619 109.079 1.00 0.00 H ATOM 324 N GLU A 37 2.738 11.553 109.108 1.00 39.73 N ATOM 325 CA GLU A 37 3.783 12.572 109.196 1.00 43.65 C ATOM 326 C GLU A 37 4.430 12.808 107.821 1.00 40.28 C ATOM 327 O GLU A 37 4.554 13.945 107.368 1.00 45.42 O ATOM 328 CB GLU A 37 4.813 12.138 110.254 1.00 40.60 C ATOM 329 CG GLU A 37 6.216 12.674 110.082 1.00 70.12 C ATOM 330 CD GLU A 37 6.415 14.021 110.751 1.00 85.35 C ATOM 331 OE1 GLU A 37 5.412 14.610 111.211 1.00 95.66 O ATOM 332 OE2 GLU A 37 7.574 14.490 110.815 1.00 84.84 O ATOM 333 H GLU A 37 2.900 10.627 109.552 1.00 0.00 H ATOM 334 N ALA A 38 4.817 11.717 107.161 1.00 36.09 N ATOM 335 CA ALA A 38 5.466 11.769 105.853 1.00 27.52 C ATOM 336 C ALA A 38 4.540 12.299 104.762 1.00 40.88 C ATOM 337 O ALA A 38 5.001 12.683 103.684 1.00 35.08 O ATOM 338 CB ALA A 38 5.993 10.385 105.464 1.00 29.16 C ATOM 339 H ALA A 38 4.650 10.787 107.596 1.00 0.00 H ATOM 340 N SER A 39 3.236 12.309 105.039 1.00 35.24 N ATOM 341 CA SER A 39 2.252 12.772 104.071 1.00 28.59 C ATOM 342 C SER A 39 1.763 14.175 104.422 1.00 38.56 C ATOM 343 O SER A 39 0.727 14.623 103.917 1.00 35.50 O ATOM 344 CB SER A 39 1.058 11.811 104.001 1.00 36.87 C ATOM 345 OG SER A 39 0.246 11.922 105.157 1.00 41.49 O ATOM 346 HG SER A 39 0.784 11.702 105.959 1.00 0.00 H ATOM 347 H SER A 39 2.913 11.978 105.970 1.00 0.00 H ATOM 348 N ASN A 40 2.508 14.863 105.287 1.00 36.66 N ATOM 349 CA ASN A 40 2.104 16.180 105.772 1.00 48.46 C ATOM 350 C ASN A 40 0.633 16.206 106.193 1.00 55.47 C ATOM 351 O ASN A 40 -0.033 17.236 106.064 1.00 70.65 O ATOM 352 CB ASN A 40 2.365 17.268 104.718 1.00 41.88 C ATOM 353 CG ASN A 40 3.773 17.207 104.148 1.00 52.91 C ATOM 354 OD1 ASN A 40 3.987 17.388 102.940 1.00 49.78 O ATOM 355 ND2 ASN A 40 4.744 16.939 105.016 1.00 57.38 N ATOM 356 HD22 ASN A 40 4.518 16.794 106.021 1.00 0.00 H ATOM 357 HD21 ASN A 40 5.729 16.874 104.690 1.00 0.00 H ATOM 358 H ASN A 40 3.401 14.451 105.626 1.00 0.00 H ATOM 359 N GLY A 41 0.129 15.073 106.683 1.00 35.81 N ATOM 360 CA GLY A 41 -1.219 15.005 107.224 1.00 41.13 C ATOM 361 C GLY A 41 -2.290 14.560 106.247 1.00 47.57 C ATOM 362 O GLY A 41 -3.397 14.197 106.656 1.00 49.90 O ATOM 363 H GLY A 41 0.716 14.215 106.678 1.00 0.00 H ATOM 364 N GLU A 42 -1.972 14.580 104.954 1.00 44.19 N ATOM 365 CA GLU A 42 -2.976 14.274 103.933 1.00 46.08 C ATOM 366 C GLU A 42 -3.405 12.814 103.908 1.00 46.60 C ATOM 367 O GLU A 42 -4.451 12.495 103.337 1.00 53.56 O ATOM 368 CB GLU A 42 -2.526 14.707 102.529 1.00 43.23 C ATOM 369 CG GLU A 42 -2.743 16.187 102.259 1.00 68.36 C ATOM 370 CD GLU A 42 -3.977 16.745 102.976 1.00 88.32 C ATOM 371 OE1 GLU A 42 -5.112 16.478 102.525 1.00 84.96 O ATOM 372 OE2 GLU A 42 -3.812 17.455 103.995 1.00 96.41 O ATOM 373 H GLU A 42 -1.001 14.815 104.666 1.00 0.00 H ATOM 374 N MET A 43 -2.615 11.932 104.515 1.00 37.22 N ATOM 375 CA MET A 43 -2.936 10.504 104.473 1.00 45.10 C ATOM 376 C MET A 43 -2.977 9.842 105.854 1.00 39.07 C ATOM 377 O MET A 43 -1.935 9.541 106.444 1.00 38.87 O ATOM 378 CB MET A 43 -1.968 9.742 103.560 1.00 34.75 C ATOM 379 CG MET A 43 -2.578 8.453 103.024 1.00 26.61 C ATOM 380 SD MET A 43 -1.381 7.366 102.246 1.00 47.21 S ATOM 381 CE MET A 43 -2.323 6.746 100.841 1.00 93.49 C ATOM 382 H MET A 43 -1.767 12.258 105.021 1.00 0.00 H ATOM 383 N GLU A 44 -4.192 9.621 106.351 1.00 34.78 N ATOM 384 CA GLU A 44 -4.417 8.977 107.643 1.00 36.46 C ATOM 385 C GLU A 44 -5.024 7.585 107.467 1.00 32.87 C ATOM 386 O GLU A 44 -6.234 7.438 107.269 1.00 39.79 O ATOM 387 CB GLU A 44 -5.374 9.823 108.478 1.00 43.84 C ATOM 388 CG GLU A 44 -5.021 11.275 108.494 1.00 74.54 C ATOM 389 CD GLU A 44 -6.166 12.133 108.969 1.00 89.65 C ATOM 390 OE1 GLU A 44 -6.968 12.579 108.117 1.00 80.92 O ATOM 391 OE2 GLU A 44 -6.271 12.339 110.196 1.00101.04 O ATOM 392 H GLU A 44 -5.018 9.920 105.795 1.00 0.00 H ATOM 393 N LEU A 45 -4.191 6.563 107.556 1.00 33.46 N ATOM 394 CA LEU A 45 -4.674 5.213 107.349 1.00 28.95 C ATOM 395 C LEU A 45 -5.497 4.717 108.528 1.00 29.44 C ATOM 396 O LEU A 45 -5.200 5.001 109.698 1.00 39.25 O ATOM 397 CB LEU A 45 -3.510 4.267 107.056 1.00 24.58 C ATOM 398 CG LEU A 45 -2.717 4.769 105.844 1.00 28.61 C ATOM 399 CD1 LEU A 45 -1.424 3.989 105.658 1.00 36.62 C ATOM 400 CD2 LEU A 45 -3.581 4.696 104.582 1.00 34.79 C ATOM 401 H LEU A 45 -3.188 6.728 107.775 1.00 0.00 H ATOM 402 N ASN A 46 -6.553 3.992 108.185 1.00 33.61 N ATOM 403 CA ASN A 46 -7.386 3.277 109.136 1.00 34.10 C ATOM 404 C ASN A 46 -6.685 1.990 109.603 1.00 43.44 C ATOM 405 O ASN A 46 -6.080 1.264 108.801 1.00 32.12 O ATOM 406 CB ASN A 46 -8.718 2.933 108.457 1.00 49.99 C ATOM 407 CG ASN A 46 -9.895 3.075 109.382 1.00 74.82 C ATOM 408 OD1 ASN A 46 -9.737 3.085 110.605 1.00 81.88 O ATOM 409 ND2 ASN A 46 -11.092 3.183 108.808 1.00 88.31 N ATOM 410 HD22 ASN A 46 -11.175 3.169 107.771 1.00 0.00 H ATOM 411 HD21 ASN A 46 -11.944 3.281 109.396 1.00 0.00 H ATOM 412 H ASN A 46 -6.799 3.932 107.176 1.00 0.00 H ATOM 413 N GLU A 47 -6.749 1.726 110.904 1.00 41.51 N ATOM 414 CA GLU A 47 -6.204 0.508 111.475 1.00 26.51 C ATOM 415 C GLU A 47 -6.636 -0.731 110.684 1.00 32.86 C ATOM 416 O GLU A 47 -5.833 -1.648 110.443 1.00 27.29 O ATOM 417 CB GLU A 47 -6.659 0.389 112.937 1.00 27.09 C ATOM 418 CG GLU A 47 -6.010 -0.723 113.721 1.00 49.29 C ATOM 419 CD GLU A 47 -6.715 -0.967 115.040 1.00 62.93 C ATOM 420 OE1 GLU A 47 -7.831 -0.429 115.214 1.00 68.33 O ATOM 421 OE2 GLU A 47 -6.163 -1.689 115.897 1.00 66.06 O ATOM 422 H GLU A 47 -7.205 2.416 111.535 1.00 0.00 H ATOM 423 N ALA A 48 -7.908 -0.745 110.283 1.00 31.03 N ATOM 424 CA ALA A 48 -8.517 -1.913 109.657 1.00 22.24 C ATOM 425 C ALA A 48 -7.997 -2.106 108.241 1.00 28.49 C ATOM 426 O ALA A 48 -7.817 -3.240 107.796 1.00 33.50 O ATOM 427 CB ALA A 48 -10.040 -1.806 109.660 1.00 24.57 C ATOM 428 H ALA A 48 -8.487 0.108 110.422 1.00 0.00 H ATOM 429 N THR A 49 -7.758 -1.005 107.534 1.00 31.01 N ATOM 430 CA THR A 49 -7.166 -1.079 106.207 1.00 33.24 C ATOM 431 C THR A 49 -5.842 -1.817 106.302 1.00 28.81 C ATOM 432 O THR A 49 -5.537 -2.658 105.454 1.00 27.54 O ATOM 433 CB THR A 49 -6.928 0.321 105.614 1.00 38.48 C ATOM 434 OG1 THR A 49 -8.162 1.042 105.597 1.00 37.44 O ATOM 435 CG2 THR A 49 -6.407 0.215 104.180 1.00 38.86 C ATOM 436 HG1 THR A 49 -8.011 1.943 105.216 1.00 0.00 H ATOM 437 H THR A 49 -7.998 -0.076 107.936 1.00 0.00 H ATOM 438 N LEU A 50 -5.064 -1.529 107.347 1.00 28.17 N ATOM 439 CA LEU A 50 -3.766 -2.183 107.495 1.00 24.61 C ATOM 440 C LEU A 50 -3.907 -3.695 107.712 1.00 25.53 C ATOM 441 O LEU A 50 -3.145 -4.484 107.147 1.00 22.69 O ATOM 442 CB LEU A 50 -2.907 -1.511 108.574 1.00 21.31 C ATOM 443 CG LEU A 50 -1.967 -0.432 108.018 1.00 27.63 C ATOM 444 CD1 LEU A 50 -2.748 0.603 107.250 1.00 35.67 C ATOM 445 CD2 LEU A 50 -1.128 0.234 109.099 1.00 40.77 C ATOM 446 H LEU A 50 -5.382 -0.838 108.057 1.00 0.00 H ATOM 447 N TYR A 51 -4.906 -4.104 108.487 1.00 16.57 N ATOM 448 CA TYR A 51 -5.108 -5.526 108.744 1.00 23.83 C ATOM 449 C TYR A 51 -5.502 -6.256 107.483 1.00 24.64 C ATOM 450 O TYR A 51 -5.049 -7.372 107.246 1.00 24.90 O ATOM 451 CB TYR A 51 -6.133 -5.752 109.864 1.00 24.94 C ATOM 452 CG TYR A 51 -5.595 -5.289 111.190 1.00 33.95 C ATOM 453 CD1 TYR A 51 -4.330 -5.689 111.616 1.00 27.92 C ATOM 454 CD2 TYR A 51 -6.318 -4.415 111.994 1.00 26.78 C ATOM 455 CE1 TYR A 51 -3.809 -5.252 112.823 1.00 32.60 C ATOM 456 CE2 TYR A 51 -5.801 -3.971 113.210 1.00 33.63 C ATOM 457 CZ TYR A 51 -4.546 -4.391 113.614 1.00 40.45 C ATOM 458 OH TYR A 51 -4.023 -3.963 114.817 1.00 69.90 O ATOM 459 HH TYR A 51 -3.124 -4.358 114.944 1.00 0.00 H ATOM 460 H TYR A 51 -5.548 -3.406 108.913 1.00 0.00 H ATOM 461 N THR A 52 -6.337 -5.625 106.665 1.00 26.99 N ATOM 462 CA THR A 52 -6.717 -6.230 105.396 1.00 27.27 C ATOM 463 C THR A 52 -5.467 -6.436 104.529 1.00 21.91 C ATOM 464 O THR A 52 -5.228 -7.522 104.027 1.00 26.03 O ATOM 465 CB THR A 52 -7.754 -5.375 104.652 1.00 28.32 C ATOM 466 OG1 THR A 52 -8.970 -5.333 105.413 1.00 34.37 O ATOM 467 CG2 THR A 52 -8.048 -5.956 103.270 1.00 21.14 C ATOM 468 HG1 THR A 52 -8.788 -4.935 106.301 1.00 0.00 H ATOM 469 H THR A 52 -6.721 -4.696 106.932 1.00 0.00 H ATOM 470 N ILE A 53 -4.651 -5.399 104.391 1.00 28.30 N ATOM 471 CA ILE A 53 -3.480 -5.460 103.514 1.00 22.75 C ATOM 472 C ILE A 53 -2.423 -6.413 104.054 1.00 25.48 C ATOM 473 O ILE A 53 -1.826 -7.183 103.293 1.00 23.72 O ATOM 474 CB ILE A 53 -2.899 -4.046 103.273 1.00 24.32 C ATOM 475 CG1 ILE A 53 -3.938 -3.188 102.532 1.00 23.86 C ATOM 476 CG2 ILE A 53 -1.599 -4.106 102.477 1.00 25.13 C ATOM 477 CD1 ILE A 53 -3.533 -1.742 102.363 1.00 27.82 C ATOM 478 H ILE A 53 -4.847 -4.524 104.917 1.00 0.00 H ATOM 479 N PHE A 54 -2.203 -6.372 105.366 1.00 20.00 N ATOM 480 CA PHE A 54 -1.228 -7.257 106.008 1.00 25.27 C ATOM 481 C PHE A 54 -1.645 -8.737 106.009 1.00 25.07 C ATOM 482 O PHE A 54 -0.797 -9.634 105.933 1.00 36.77 O ATOM 483 CB PHE A 54 -0.904 -6.779 107.430 1.00 29.01 C ATOM 484 CG PHE A 54 -0.099 -5.503 107.470 1.00 23.56 C ATOM 485 CD1 PHE A 54 0.413 -4.959 106.302 1.00 26.84 C ATOM 486 CD2 PHE A 54 0.172 -4.862 108.681 1.00 29.63 C ATOM 487 CE1 PHE A 54 1.177 -3.784 106.330 1.00 35.85 C ATOM 488 CE2 PHE A 54 0.934 -3.691 108.717 1.00 31.11 C ATOM 489 CZ PHE A 54 1.441 -3.151 107.535 1.00 30.38 C ATOM 490 H PHE A 54 -2.736 -5.696 105.949 1.00 0.00 H ATOM 491 N LYS A 55 -2.939 -9.011 106.086 1.00 30.74 N ATOM 492 CA LYS A 55 -3.379 -10.397 105.965 1.00 29.96 C ATOM 493 C LYS A 55 -2.984 -10.981 104.606 1.00 26.64 C ATOM 494 O LYS A 55 -2.531 -12.121 104.508 1.00 31.81 O ATOM 495 CB LYS A 55 -4.884 -10.517 106.152 1.00 30.43 C ATOM 496 CG LYS A 55 -5.369 -11.932 105.909 1.00 27.56 C ATOM 497 CD LYS A 55 -6.561 -12.288 106.791 1.00 50.11 C ATOM 498 CE LYS A 55 -6.946 -13.740 106.580 1.00 52.85 C ATOM 499 NZ LYS A 55 -7.038 -14.042 105.117 1.00 55.81 N ATOM 500 HZ1 LYS A 55 -7.759 -13.431 104.683 1.00 0.00 H ATOM 501 HZ2 LYS A 55 -6.116 -13.865 104.669 1.00 0.00 H ATOM 502 HZ3 LYS A 55 -7.302 -15.039 104.986 1.00 0.00 H ATOM 503 H LYS A 55 -3.632 -8.249 106.231 1.00 0.00 H ATOM 504 N ARG A 56 -3.158 -10.182 103.559 1.00 26.71 N ATOM 505 CA ARG A 56 -2.826 -10.595 102.198 1.00 28.23 C ATOM 506 C ARG A 56 -1.307 -10.713 101.959 1.00 33.94 C ATOM 507 O ARG A 56 -0.836 -11.669 101.331 1.00 32.40 O ATOM 508 CB ARG A 56 -3.474 -9.626 101.213 1.00 30.71 C ATOM 509 CG ARG A 56 -3.004 -9.753 99.785 1.00 51.11 C ATOM 510 CD ARG A 56 -3.535 -10.997 99.114 1.00 62.51 C ATOM 511 NE ARG A 56 -3.118 -11.018 97.714 1.00 88.84 N ATOM 512 CZ ARG A 56 -3.473 -11.946 96.832 1.00107.06 C ATOM 513 NH1 ARG A 56 -4.266 -12.944 97.197 1.00114.42 N ATOM 514 NH2 ARG A 56 -3.033 -11.871 95.581 1.00105.78 N ATOM 515 HE ARG A 56 -2.498 -10.251 97.384 1.00 0.00 H ATOM 516 HH12 ARG A 56 -4.542 -13.669 96.504 1.00 0.00 H ATOM 517 HH11 ARG A 56 -4.612 -13.002 98.176 1.00 0.00 H ATOM 518 HH22 ARG A 56 -3.309 -12.596 94.888 1.00 0.00 H ATOM 519 HH21 ARG A 56 -2.412 -11.087 95.294 1.00 0.00 H ATOM 520 H ARG A 56 -3.544 -9.229 103.714 1.00 0.00 H ATOM 521 N LEU A 57 -0.540 -9.756 102.477 1.00 18.50 N ATOM 522 CA LEU A 57 0.917 -9.788 102.308 1.00 22.17 C ATOM 523 C LEU A 57 1.561 -10.959 103.037 1.00 23.62 C ATOM 524 O LEU A 57 2.560 -11.502 102.569 1.00 23.22 O ATOM 525 CB LEU A 57 1.566 -8.481 102.765 1.00 16.82 C ATOM 526 CG LEU A 57 1.257 -7.231 101.934 1.00 22.75 C ATOM 527 CD1 LEU A 57 1.900 -5.993 102.558 1.00 28.26 C ATOM 528 CD2 LEU A 57 1.727 -7.417 100.489 1.00 18.60 C ATOM 529 H LEU A 57 -0.979 -8.977 103.008 1.00 0.00 H ATOM 530 N GLU A 58 1.002 -11.332 104.187 1.00 26.73 N ATOM 531 CA GLU A 58 1.550 -12.425 104.991 1.00 30.85 C ATOM 532 C GLU A 58 1.326 -13.739 104.260 1.00 26.55 C ATOM 533 O GLU A 58 2.239 -14.549 104.097 1.00 29.92 O ATOM 534 CB GLU A 58 0.875 -12.483 106.377 1.00 22.03 C ATOM 535 CG GLU A 58 1.532 -11.614 107.438 1.00 40.71 C ATOM 536 CD GLU A 58 1.012 -11.902 108.849 1.00 56.25 C ATOM 537 OE1 GLU A 58 -0.042 -11.329 109.225 1.00 58.56 O ATOM 538 OE2 GLU A 58 1.658 -12.699 109.574 1.00 46.61 O ATOM 539 H GLU A 58 0.153 -10.833 104.522 1.00 0.00 H ATOM 540 N LYS A 59 0.087 -13.933 103.829 1.00 21.07 N ATOM 541 CA LYS A 59 -0.306 -15.099 103.052 1.00 37.38 C ATOM 542 C LYS A 59 0.625 -15.319 101.846 1.00 30.13 C ATOM 543 O LYS A 59 1.013 -16.449 101.550 1.00 34.41 O ATOM 544 CB LYS A 59 -1.759 -14.928 102.608 1.00 34.90 C ATOM 545 CG LYS A 59 -2.098 -15.518 101.254 1.00 58.50 C ATOM 546 CD LYS A 59 -3.619 -15.614 101.095 1.00 69.56 C ATOM 547 CE LYS A 59 -4.030 -15.684 99.636 1.00 76.10 C ATOM 548 NZ LYS A 59 -4.937 -14.546 99.284 1.00 74.17 N ATOM 549 HZ1 LYS A 59 -5.791 -14.589 99.876 1.00 0.00 H ATOM 550 HZ2 LYS A 59 -4.443 -13.646 99.451 1.00 0.00 H ATOM 551 HZ3 LYS A 59 -5.205 -14.615 98.281 1.00 0.00 H ATOM 552 H LYS A 59 -0.636 -13.220 104.056 1.00 0.00 H ATOM 553 N ASP A 60 0.999 -14.229 101.180 1.00 27.79 N ATOM 554 CA ASP A 60 1.835 -14.291 99.987 1.00 24.95 C ATOM 555 C ASP A 60 3.321 -14.299 100.307 1.00 27.40 C ATOM 556 O ASP A 60 4.144 -14.259 99.401 1.00 33.29 O ATOM 557 CB ASP A 60 1.505 -13.133 99.032 1.00 26.09 C ATOM 558 CG ASP A 60 0.115 -13.275 98.385 1.00 41.58 C ATOM 559 OD1 ASP A 60 -0.487 -14.379 98.431 1.00 44.83 O ATOM 560 OD2 ASP A 60 -0.372 -12.273 97.816 1.00 41.75 O ATOM 561 H ASP A 60 0.683 -13.299 101.523 1.00 0.00 H ATOM 562 N GLY A 61 3.658 -14.333 101.594 1.00 25.62 N ATOM 563 CA GLY A 61 5.039 -14.464 102.014 1.00 26.95 C ATOM 564 C GLY A 61 5.847 -13.182 101.925 1.00 33.81 C ATOM 565 O GLY A 61 7.050 -13.187 102.179 1.00 31.92 O ATOM 566 H GLY A 61 2.912 -14.264 102.316 1.00 0.00 H ATOM 567 N ILE A 62 5.192 -12.080 101.571 1.00 30.03 N ATOM 568 CA ILE A 62 5.889 -10.803 101.400 1.00 17.03 C ATOM 569 C ILE A 62 6.255 -10.175 102.744 1.00 18.10 C ATOM 570 O ILE A 62 7.292 -9.517 102.862 1.00 25.03 O ATOM 571 CB ILE A 62 5.069 -9.791 100.594 1.00 18.62 C ATOM 572 CG1 ILE A 62 4.716 -10.345 99.206 1.00 34.33 C ATOM 573 CG2 ILE A 62 5.817 -8.493 100.477 1.00 24.50 C ATOM 574 CD1 ILE A 62 5.878 -11.016 98.502 1.00 43.08 C ATOM 575 H ILE A 62 4.165 -12.126 101.413 1.00 0.00 H ATOM 576 N ILE A 63 5.425 -10.391 103.766 1.00 25.16 N ATOM 577 CA ILE A 63 5.794 -9.969 105.114 1.00 17.56 C ATOM 578 C ILE A 63 5.573 -11.105 106.089 1.00 23.73 C ATOM 579 O ILE A 63 4.939 -12.092 105.735 1.00 26.96 O ATOM 580 CB ILE A 63 5.033 -8.693 105.587 1.00 20.12 C ATOM 581 CG1 ILE A 63 3.566 -9.000 105.895 1.00 21.65 C ATOM 582 CG2 ILE A 63 5.179 -7.559 104.554 1.00 16.55 C ATOM 583 CD1 ILE A 63 2.729 -7.753 106.261 1.00 20.94 C ATOM 584 H ILE A 63 4.512 -10.862 103.602 1.00 0.00 H ATOM 585 N SER A 64 6.109 -10.968 107.307 1.00 24.94 N ATOM 586 CA SER A 64 5.770 -11.862 108.420 1.00 24.00 C ATOM 587 C SER A 64 5.565 -11.042 109.704 1.00 26.41 C ATOM 588 O SER A 64 5.876 -9.854 109.729 1.00 24.08 O ATOM 589 CB SER A 64 6.840 -12.947 108.630 1.00 22.38 C ATOM 590 OG SER A 64 7.925 -12.459 109.397 1.00 40.28 O ATOM 591 HG SER A 64 7.596 -12.166 110.283 1.00 0.00 H ATOM 592 H SER A 64 6.791 -10.200 107.471 1.00 0.00 H ATOM 593 N SER A 65 5.060 -11.674 110.767 1.00 27.27 N ATOM 594 CA SER A 65 4.770 -10.949 112.001 1.00 17.97 C ATOM 595 C SER A 65 5.296 -11.634 113.249 1.00 27.23 C ATOM 596 O SER A 65 5.547 -12.842 113.270 1.00 25.62 O ATOM 597 CB SER A 65 3.268 -10.706 112.149 1.00 26.71 C ATOM 598 OG SER A 65 2.560 -11.929 112.251 1.00 25.42 O ATOM 599 HG SER A 65 2.715 -12.468 111.435 1.00 0.00 H ATOM 600 H SER A 65 4.871 -12.695 110.715 1.00 0.00 H ATOM 601 N TYR A 66 5.465 -10.851 114.304 1.00 18.40 N ATOM 602 CA TYR A 66 5.872 -11.416 115.588 1.00 22.79 C ATOM 603 C TYR A 66 5.546 -10.440 116.713 1.00 24.34 C ATOM 604 O TYR A 66 5.278 -9.258 116.464 1.00 22.62 O ATOM 605 CB TYR A 66 7.379 -11.747 115.583 1.00 21.06 C ATOM 606 CG TYR A 66 8.234 -10.530 115.336 1.00 23.47 C ATOM 607 CD1 TYR A 66 8.440 -10.061 114.042 1.00 20.67 C ATOM 608 CD2 TYR A 66 8.800 -9.823 116.391 1.00 21.87 C ATOM 609 CE1 TYR A 66 9.208 -8.927 113.800 1.00 22.32 C ATOM 610 CE2 TYR A 66 9.583 -8.689 116.163 1.00 19.30 C ATOM 611 CZ TYR A 66 9.784 -8.247 114.869 1.00 37.28 C ATOM 612 OH TYR A 66 10.553 -7.116 114.631 1.00 18.09 O ATOM 613 HH TYR A 66 10.592 -6.944 113.657 1.00 0.00 H ATOM 614 H TYR A 66 5.307 -9.827 114.217 1.00 0.00 H ATOM 615 N TRP A 67 5.587 -10.943 117.944 1.00 27.89 N ATOM 616 CA TRP A 67 5.238 -10.170 119.133 1.00 25.32 C ATOM 617 C TRP A 67 6.448 -9.454 119.756 1.00 32.10 C ATOM 618 O TRP A 67 7.549 -10.020 119.809 1.00 29.66 O ATOM 619 CB TRP A 67 4.617 -11.106 120.195 1.00 25.24 C ATOM 620 CG TRP A 67 3.394 -11.852 119.698 1.00 52.73 C ATOM 621 CD1 TRP A 67 3.296 -13.197 119.449 1.00 55.20 C ATOM 622 CD2 TRP A 67 2.102 -11.293 119.382 1.00 47.91 C ATOM 623 NE1 TRP A 67 2.027 -13.507 119.010 1.00 56.67 N ATOM 624 CE2 TRP A 67 1.277 -12.360 118.953 1.00 50.52 C ATOM 625 CE3 TRP A 67 1.562 -10.000 119.427 1.00 36.30 C ATOM 626 CZ2 TRP A 67 -0.058 -12.169 118.570 1.00 44.83 C ATOM 627 CZ3 TRP A 67 0.239 -9.812 119.044 1.00 35.34 C ATOM 628 CH2 TRP A 67 -0.554 -10.891 118.623 1.00 42.01 C ATOM 629 HE1 TRP A 67 1.691 -14.459 118.761 1.00 0.00 H ATOM 630 H TRP A 67 5.881 -11.933 118.065 1.00 0.00 H ATOM 631 N GLY A 68 6.235 -8.229 120.248 1.00 36.15 N ATOM 632 CA GLY A 68 7.209 -7.541 121.093 1.00 50.15 C ATOM 633 C GLY A 68 7.235 -8.085 122.526 1.00 66.56 C ATOM 634 O GLY A 68 6.479 -9.004 122.868 1.00 62.91 O ATOM 635 H GLY A 68 5.342 -7.747 120.021 1.00 0.00 H ATOM 636 N ASP A 69 8.099 -7.524 123.372 1.00 81.74 N ATOM 637 CA ASP A 69 8.261 -8.020 124.740 1.00 88.10 C ATOM 638 C ASP A 69 7.579 -7.124 125.765 1.00 85.68 C ATOM 639 O ASP A 69 6.927 -7.612 126.692 1.00 87.35 O ATOM 640 CB ASP A 69 9.746 -8.198 125.090 1.00 95.34 C ATOM 641 CG ASP A 69 10.189 -9.656 125.046 1.00101.27 C ATOM 642 OD1 ASP A 69 9.312 -10.548 125.026 1.00103.71 O ATOM 643 OD2 ASP A 69 11.412 -9.912 125.044 1.00100.21 O ATOM 644 H ASP A 69 8.671 -6.716 123.053 1.00 0.00 H TER 645 ASP A 69 ATOM 646 N ARG A 76 1.846 -6.791 121.614 1.00 43.30 N ATOM 647 CA ARG A 76 1.987 -5.881 120.469 1.00 52.24 C ATOM 648 C ARG A 76 2.640 -6.514 119.226 1.00 49.72 C ATOM 649 O ARG A 76 3.751 -7.052 119.299 1.00 44.51 O ATOM 650 CB ARG A 76 2.771 -4.639 120.857 1.00 47.23 C ATOM 651 CG ARG A 76 3.097 -3.784 119.659 1.00 39.83 C ATOM 652 CD ARG A 76 3.517 -2.401 120.071 1.00 51.55 C ATOM 653 NE ARG A 76 2.479 -1.721 120.838 1.00 67.88 N ATOM 654 CZ ARG A 76 2.555 -0.452 121.227 1.00 83.54 C ATOM 655 NH1 ARG A 76 3.624 0.268 120.911 1.00 80.38 N ATOM 656 NH2 ARG A 76 1.568 0.095 121.931 1.00 90.58 N ATOM 657 HE ARG A 76 1.629 -2.261 121.096 1.00 0.00 H ATOM 658 HH12 ARG A 76 3.690 1.261 121.212 1.00 0.00 H ATOM 659 HH11 ARG A 76 4.396 -0.161 120.362 1.00 0.00 H ATOM 660 HH22 ARG A 76 1.633 1.088 122.233 1.00 0.00 H ATOM 661 HH21 ARG A 76 0.731 -0.470 122.180 1.00 0.00 H ATOM 662 HN3 ARG A 76 2.786 -7.129 121.904 1.00 0.00 H ATOM 663 HN2 ARG A 76 1.254 -7.601 121.340 1.00 0.00 H ATOM 664 HN1 ARG A 76 1.399 -6.285 122.405 1.00 0.00 H ATOM 665 N LYS A 77 1.964 -6.418 118.081 1.00 36.23 N ATOM 666 CA LYS A 77 2.352 -7.189 116.893 1.00 33.05 C ATOM 667 C LYS A 77 3.268 -6.406 115.940 1.00 30.99 C ATOM 668 O LYS A 77 2.888 -5.350 115.407 1.00 23.55 O ATOM 669 CB LYS A 77 1.100 -7.692 116.147 1.00 36.35 C ATOM 670 CG LYS A 77 1.375 -8.682 115.005 1.00 36.03 C ATOM 671 CD LYS A 77 0.426 -9.899 115.076 1.00 39.99 C ATOM 672 CE LYS A 77 -0.301 -10.152 113.751 1.00 42.36 C ATOM 673 NZ LYS A 77 -1.046 -11.460 113.733 1.00 56.19 N ATOM 674 HZ1 LYS A 77 -0.376 -12.241 113.882 1.00 0.00 H ATOM 675 HZ2 LYS A 77 -1.758 -11.463 114.491 1.00 0.00 H ATOM 676 HZ3 LYS A 77 -1.517 -11.576 112.813 1.00 0.00 H ATOM 677 H LYS A 77 1.143 -5.782 118.028 1.00 0.00 H ATOM 678 N TYR A 78 4.474 -6.930 115.727 1.00 29.72 N ATOM 679 CA TYR A 78 5.410 -6.331 114.773 1.00 31.99 C ATOM 680 C TYR A 78 5.397 -7.025 113.423 1.00 23.29 C ATOM 681 O TYR A 78 5.256 -8.256 113.329 1.00 27.03 O ATOM 682 CB TYR A 78 6.836 -6.287 115.337 1.00 27.46 C ATOM 683 CG TYR A 78 7.007 -5.147 116.298 1.00 33.21 C ATOM 684 CD1 TYR A 78 7.533 -3.931 115.879 1.00 22.03 C ATOM 685 CD2 TYR A 78 6.592 -5.267 117.617 1.00 44.49 C ATOM 686 CE1 TYR A 78 7.664 -2.869 116.774 1.00 45.59 C ATOM 687 CE2 TYR A 78 6.716 -4.222 118.512 1.00 42.46 C ATOM 688 CZ TYR A 78 7.247 -3.029 118.095 1.00 50.73 C ATOM 689 OH TYR A 78 7.360 -2.008 119.017 1.00 66.26 O ATOM 690 HH TYR A 78 7.756 -1.213 118.580 1.00 0.00 H ATOM 691 H TYR A 78 4.757 -7.783 116.250 1.00 0.00 H ATOM 692 N TYR A 79 5.566 -6.221 112.381 1.00 22.22 N ATOM 693 CA TYR A 79 5.611 -6.725 111.021 1.00 22.14 C ATOM 694 C TYR A 79 7.005 -6.511 110.414 1.00 31.13 C ATOM 695 O TYR A 79 7.739 -5.570 110.772 1.00 25.00 O ATOM 696 CB TYR A 79 4.512 -6.071 110.175 1.00 23.85 C ATOM 697 CG TYR A 79 3.117 -6.498 110.584 1.00 25.14 C ATOM 698 CD1 TYR A 79 2.551 -7.650 110.059 1.00 21.11 C ATOM 699 CD2 TYR A 79 2.370 -5.758 111.503 1.00 33.47 C ATOM 700 CE1 TYR A 79 1.273 -8.062 110.423 1.00 21.97 C ATOM 701 CE2 TYR A 79 1.079 -6.167 111.881 1.00 41.70 C ATOM 702 CZ TYR A 79 0.541 -7.318 111.332 1.00 34.50 C ATOM 703 OH TYR A 79 -0.727 -7.738 111.680 1.00 43.71 O ATOM 704 HH TYR A 79 -0.942 -8.572 111.193 1.00 0.00 H ATOM 705 H TYR A 79 5.669 -5.199 112.544 1.00 0.00 H ATOM 706 N ARG A 80 7.343 -7.383 109.474 1.00 28.63 N ATOM 707 CA ARG A 80 8.691 -7.507 108.963 1.00 30.39 C ATOM 708 C ARG A 80 8.614 -7.781 107.467 1.00 23.42 C ATOM 709 O ARG A 80 7.792 -8.586 107.031 1.00 27.02 O ATOM 710 CB ARG A 80 9.332 -8.710 109.644 1.00 23.45 C ATOM 711 CG ARG A 80 10.826 -8.753 109.594 1.00 43.91 C ATOM 712 CD ARG A 80 11.266 -10.046 110.241 1.00 40.29 C ATOM 713 NE ARG A 80 10.682 -11.150 109.508 1.00 43.68 N ATOM 714 CZ ARG A 80 11.295 -11.795 108.518 1.00 40.20 C ATOM 715 NH1 ARG A 80 12.531 -11.456 108.172 1.00 18.57 N ATOM 716 NH2 ARG A 80 10.672 -12.789 107.889 1.00 32.93 N ATOM 717 HE ARG A 80 9.724 -11.458 109.771 1.00 0.00 H ATOM 718 HH12 ARG A 80 13.011 -11.959 107.399 1.00 0.00 H ATOM 719 HH11 ARG A 80 13.019 -10.687 108.674 1.00 0.00 H ATOM 720 HH22 ARG A 80 11.149 -13.295 107.115 1.00 0.00 H ATOM 721 HH21 ARG A 80 9.708 -13.060 108.171 1.00 0.00 H ATOM 722 H ARG A 80 6.606 -8.006 109.087 1.00 0.00 H ATOM 723 N LEU A 81 9.463 -7.125 106.686 1.00 27.04 N ATOM 724 CA LEU A 81 9.598 -7.461 105.270 1.00 33.97 C ATOM 725 C LEU A 81 10.398 -8.776 105.164 1.00 27.99 C ATOM 726 O LEU A 81 11.492 -8.886 105.736 1.00 37.02 O ATOM 727 CB LEU A 81 10.332 -6.331 104.557 1.00 25.30 C ATOM 728 CG LEU A 81 9.980 -5.899 103.137 1.00 34.84 C ATOM 729 CD1 LEU A 81 8.497 -5.945 102.854 1.00 30.96 C ATOM 730 CD2 LEU A 81 10.508 -4.501 102.897 1.00 32.65 C ATOM 731 H LEU A 81 10.041 -6.360 107.088 1.00 0.00 H ATOM 732 N THR A 82 9.862 -9.787 104.476 1.00 25.98 N ATOM 733 CA THR A 82 10.632 -11.029 104.264 1.00 34.39 C ATOM 734 C THR A 82 11.718 -10.878 103.189 1.00 30.73 C ATOM 735 O THR A 82 11.807 -9.849 102.509 1.00 33.33 O ATOM 736 CB THR A 82 9.729 -12.239 103.920 1.00 25.98 C ATOM 737 OG1 THR A 82 9.057 -11.991 102.683 1.00 28.55 O ATOM 738 CG2 THR A 82 8.703 -12.467 105.010 1.00 18.00 C ATOM 739 HG1 THR A 82 8.479 -12.764 102.462 1.00 0.00 H ATOM 740 H THR A 82 8.901 -9.700 104.089 1.00 0.00 H ATOM 741 N GLU A 83 12.527 -11.919 103.031 1.00 27.62 N ATOM 742 CA GLU A 83 13.535 -11.960 101.977 1.00 43.30 C ATOM 743 C GLU A 83 12.885 -11.797 100.610 1.00 44.20 C ATOM 744 O GLU A 83 13.348 -11.019 99.768 1.00 41.06 O ATOM 745 CB GLU A 83 14.273 -13.295 102.017 1.00 72.12 C ATOM 746 CG GLU A 83 15.718 -13.210 102.460 1.00 90.17 C ATOM 747 CD GLU A 83 16.394 -14.570 102.475 1.00101.29 C ATOM 748 OE1 GLU A 83 15.732 -15.568 102.112 1.00106.96 O ATOM 749 OE2 GLU A 83 17.582 -14.642 102.852 1.00103.06 O ATOM 750 H GLU A 83 12.440 -12.729 103.678 1.00 0.00 H ATOM 751 N ILE A 84 11.822 -12.559 100.389 1.00 40.91 N ATOM 752 CA ILE A 84 11.056 -12.463 99.157 1.00 39.01 C ATOM 753 C ILE A 84 10.581 -11.031 99.005 1.00 39.41 C ATOM 754 O ILE A 84 10.729 -10.427 97.934 1.00 35.11 O ATOM 755 CB ILE A 84 9.833 -13.403 99.207 1.00 55.20 C ATOM 756 CG1 ILE A 84 10.278 -14.854 99.002 1.00 66.21 C ATOM 757 CG2 ILE A 84 8.803 -13.014 98.160 1.00 62.15 C ATOM 758 CD1 ILE A 84 9.387 -15.868 99.696 1.00 62.64 C ATOM 759 H ILE A 84 11.529 -13.243 101.116 1.00 0.00 H ATOM 760 N GLY A 85 10.001 -10.506 100.088 1.00 29.27 N ATOM 761 CA GLY A 85 9.490 -9.146 100.141 1.00 28.21 C ATOM 762 C GLY A 85 10.491 -8.094 99.682 1.00 32.85 C ATOM 763 O GLY A 85 10.162 -7.237 98.861 1.00 34.56 O ATOM 764 H GLY A 85 9.910 -11.101 100.936 1.00 0.00 H ATOM 765 N HIS A 86 11.711 -8.143 100.209 1.00 32.31 N ATOM 766 CA HIS A 86 12.757 -7.218 99.761 1.00 31.08 C ATOM 767 C HIS A 86 13.057 -7.331 98.265 1.00 36.61 C ATOM 768 O HIS A 86 13.226 -6.321 97.579 1.00 35.32 O ATOM 769 CB HIS A 86 14.046 -7.423 100.550 1.00 29.79 C ATOM 770 CG HIS A 86 13.986 -6.885 101.941 1.00 40.79 C ATOM 771 ND1 HIS A 86 14.030 -5.534 102.222 1.00 46.41 N ATOM 772 CD2 HIS A 86 13.876 -7.511 103.140 1.00 37.29 C ATOM 773 CE1 HIS A 86 13.949 -5.354 103.528 1.00 46.08 C ATOM 774 NE2 HIS A 86 13.857 -6.536 104.107 1.00 46.75 N ATOM 775 H HIS A 86 11.925 -8.844 100.946 1.00 0.00 H ATOM 776 N GLU A 87 13.152 -8.560 97.764 1.00 32.44 N ATOM 777 CA GLU A 87 13.549 -8.766 96.379 1.00 39.41 C ATOM 778 C GLU A 87 12.425 -8.336 95.455 1.00 42.73 C ATOM 779 O GLU A 87 12.667 -7.727 94.413 1.00 48.76 O ATOM 780 CB GLU A 87 13.960 -10.219 96.117 1.00 45.87 C ATOM 781 CG GLU A 87 14.724 -10.422 94.804 1.00 47.86 C ATOM 782 CD GLU A 87 15.882 -9.449 94.622 1.00 65.19 C ATOM 783 OE1 GLU A 87 16.566 -9.115 95.615 1.00 77.74 O ATOM 784 OE2 GLU A 87 16.110 -9.017 93.472 1.00 75.00 O ATOM 785 H GLU A 87 12.941 -9.380 98.367 1.00 0.00 H ATOM 786 N ASN A 88 11.193 -8.637 95.842 1.00 39.15 N ATOM 787 CA ASN A 88 10.050 -8.164 95.081 1.00 40.77 C ATOM 788 C ASN A 88 9.991 -6.640 95.017 1.00 42.50 C ATOM 789 O ASN A 88 9.655 -6.070 93.980 1.00 39.49 O ATOM 790 CB ASN A 88 8.748 -8.752 95.628 1.00 46.10 C ATOM 791 CG ASN A 88 8.490 -10.155 95.113 1.00 59.17 C ATOM 792 OD1 ASN A 88 9.409 -10.839 94.648 1.00 58.77 O ATOM 793 ND2 ASN A 88 7.236 -10.591 95.184 1.00 65.24 N ATOM 794 HD22 ASN A 88 6.495 -9.980 95.583 1.00 0.00 H ATOM 795 HD21 ASN A 88 6.996 -11.543 94.840 1.00 0.00 H ATOM 796 H ASN A 88 11.045 -9.214 96.694 1.00 0.00 H ATOM 797 N MET A 89 10.329 -5.982 96.119 1.00 37.53 N ATOM 798 CA MET A 89 10.341 -4.527 96.129 1.00 47.07 C ATOM 799 C MET A 89 11.390 -4.000 95.163 1.00 45.02 C ATOM 800 O MET A 89 11.135 -3.034 94.439 1.00 38.75 O ATOM 801 CB MET A 89 10.602 -3.973 97.541 1.00 38.53 C ATOM 802 CG MET A 89 9.395 -3.939 98.441 1.00 39.64 C ATOM 803 SD MET A 89 9.666 -2.830 99.845 1.00 43.67 S ATOM 804 CE MET A 89 9.140 -1.251 99.157 1.00 43.30 C ATOM 805 H MET A 89 10.586 -6.508 96.978 1.00 0.00 H ATOM 806 N ARG A 90 12.570 -4.625 95.170 1.00 37.70 N ATOM 807 CA ARG A 90 13.697 -4.182 94.334 1.00 39.11 C ATOM 808 C ARG A 90 13.339 -4.298 92.843 1.00 45.86 C ATOM 809 O ARG A 90 13.523 -3.348 92.070 1.00 43.41 O ATOM 810 CB ARG A 90 14.961 -4.986 94.663 1.00 38.66 C ATOM 811 CG ARG A 90 16.265 -4.444 94.080 1.00 48.52 C ATOM 812 CD ARG A 90 17.324 -5.538 94.031 1.00 64.22 C ATOM 813 NE ARG A 90 16.879 -6.674 93.225 1.00 69.61 N ATOM 814 CZ ARG A 90 17.151 -6.827 91.933 1.00 67.74 C ATOM 815 NH1 ARG A 90 17.881 -5.922 91.292 1.00 69.40 N ATOM 816 NH2 ARG A 90 16.697 -7.891 91.283 1.00 58.61 N ATOM 817 HE ARG A 90 16.313 -7.410 93.693 1.00 0.00 H ATOM 818 HH12 ARG A 90 18.092 -6.045 90.281 1.00 0.00 H ATOM 819 HH11 ARG A 90 18.242 -5.090 91.801 1.00 0.00 H ATOM 820 HH22 ARG A 90 16.909 -8.012 90.272 1.00 0.00 H ATOM 821 HH21 ARG A 90 16.129 -8.604 91.784 1.00 0.00 H ATOM 822 H ARG A 90 12.697 -5.453 95.787 1.00 0.00 H ATOM 823 N LEU A 91 12.815 -5.463 92.459 1.00 35.27 N ATOM 824 CA LEU A 91 12.343 -5.722 91.099 1.00 41.52 C ATOM 825 C LEU A 91 11.283 -4.703 90.649 1.00 46.62 C ATOM 826 O LEU A 91 11.295 -4.244 89.501 1.00 43.40 O ATOM 827 CB LEU A 91 11.765 -7.149 91.007 1.00 42.03 C ATOM 828 CG LEU A 91 12.719 -8.312 90.721 1.00 60.94 C ATOM 829 CD1 LEU A 91 12.088 -9.638 91.129 1.00 62.27 C ATOM 830 CD2 LEU A 91 13.110 -8.335 89.243 1.00 76.10 C ATOM 831 H LEU A 91 12.738 -6.226 93.162 1.00 0.00 H ATOM 832 N ALA A 92 10.374 -4.359 91.563 1.00 42.72 N ATOM 833 CA ALA A 92 9.285 -3.416 91.294 1.00 37.28 C ATOM 834 C ALA A 92 9.803 -1.998 91.079 1.00 36.38 C ATOM 835 O ALA A 92 9.343 -1.292 90.178 1.00 35.68 O ATOM 836 CB ALA A 92 8.275 -3.431 92.435 1.00 34.26 C ATOM 837 H ALA A 92 10.441 -4.780 92.512 1.00 0.00 H ATOM 838 N PHE A 93 10.755 -1.596 91.916 1.00 24.05 N ATOM 839 CA PHE A 93 11.345 -0.269 91.856 1.00 42.96 C ATOM 840 C PHE A 93 12.175 -0.085 90.594 1.00 46.49 C ATOM 841 O PHE A 93 12.202 1.003 89.999 1.00 53.75 O ATOM 842 CB PHE A 93 12.239 -0.036 93.081 1.00 33.79 C ATOM 843 CG PHE A 93 12.782 1.356 93.167 1.00 42.27 C ATOM 844 CD1 PHE A 93 11.981 2.397 93.629 1.00 52.91 C ATOM 845 CD2 PHE A 93 14.082 1.640 92.757 1.00 40.81 C ATOM 846 CE1 PHE A 93 12.469 3.696 93.698 1.00 65.71 C ATOM 847 CE2 PHE A 93 14.586 2.946 92.827 1.00 40.02 C ATOM 848 CZ PHE A 93 13.777 3.974 93.301 1.00 60.16 C ATOM 849 H PHE A 93 11.091 -2.259 92.644 1.00 0.00 H ATOM 850 N GLU A 94 12.876 -1.151 90.223 1.00 43.52 N ATOM 851 CA GLU A 94 13.694 -1.176 89.024 1.00 47.00 C ATOM 852 C GLU A 94 12.849 -1.002 87.754 1.00 43.85 C ATOM 853 O GLU A 94 13.123 -0.134 86.921 1.00 43.20 O ATOM 854 CB GLU A 94 14.471 -2.491 88.947 1.00 54.49 C ATOM 855 CG GLU A 94 15.685 -2.578 89.862 1.00 71.10 C ATOM 856 CD GLU A 94 16.665 -3.639 89.396 1.00 90.58 C ATOM 857 OE1 GLU A 94 16.412 -4.233 88.322 1.00100.51 O ATOM 858 OE2 GLU A 94 17.683 -3.876 90.088 1.00 88.16 O ATOM 859 H GLU A 94 12.837 -2.004 90.817 1.00 0.00 H ATOM 860 N SER A 95 11.827 -1.837 87.606 1.00 39.93 N ATOM 861 CA SER A 95 11.007 -1.791 86.406 1.00 34.23 C ATOM 862 C SER A 95 10.178 -0.507 86.346 1.00 44.82 C ATOM 863 O SER A 95 10.112 0.115 85.289 1.00 42.58 O ATOM 864 CB SER A 95 10.151 -3.049 86.245 1.00 25.86 C ATOM 865 OG SER A 95 9.151 -3.134 87.241 1.00 42.74 O ATOM 866 HG SER A 95 9.578 -3.160 88.134 1.00 0.00 H ATOM 867 H SER A 95 11.612 -2.528 88.353 1.00 0.00 H ATOM 868 N TRP A 96 9.572 -0.083 87.460 1.00 32.93 N ATOM 869 CA TRP A 96 8.844 1.190 87.431 1.00 33.18 C ATOM 870 C TRP A 96 9.742 2.381 87.105 1.00 31.60 C ATOM 871 O TRP A 96 9.283 3.377 86.545 1.00 35.69 O ATOM 872 CB TRP A 96 8.033 1.451 88.704 1.00 26.55 C ATOM 873 CG TRP A 96 6.720 0.719 88.715 1.00 34.09 C ATOM 874 CD1 TRP A 96 6.410 -0.383 89.452 1.00 30.90 C ATOM 875 CD2 TRP A 96 5.546 1.032 87.949 1.00 35.57 C ATOM 876 NE1 TRP A 96 5.117 -0.775 89.203 1.00 34.51 N ATOM 877 CE2 TRP A 96 4.563 0.075 88.282 1.00 36.60 C ATOM 878 CE3 TRP A 96 5.231 2.024 87.018 1.00 34.03 C ATOM 879 CZ2 TRP A 96 3.288 0.071 87.707 1.00 38.15 C ATOM 880 CZ3 TRP A 96 3.958 2.025 86.451 1.00 30.53 C ATOM 881 CH2 TRP A 96 3.003 1.057 86.802 1.00 34.45 C ATOM 882 HE1 TRP A 96 4.636 -1.586 89.643 1.00 0.00 H ATOM 883 H TRP A 96 9.616 -0.647 88.333 1.00 0.00 H ATOM 884 N SER A 97 11.015 2.282 87.464 1.00 32.02 N ATOM 885 CA SER A 97 11.979 3.321 87.117 1.00 36.53 C ATOM 886 C SER A 97 12.298 3.326 85.608 1.00 40.35 C ATOM 887 O SER A 97 12.515 4.387 85.021 1.00 45.69 O ATOM 888 CB SER A 97 13.240 3.202 87.978 1.00 41.89 C ATOM 889 OG SER A 97 14.398 3.546 87.240 1.00 59.80 O ATOM 890 HG SER A 97 15.195 3.460 87.820 1.00 0.00 H ATOM 891 H SER A 97 11.331 1.450 88.002 1.00 0.00 H ATOM 892 N ARG A 98 12.308 2.149 84.983 1.00 41.27 N ATOM 893 CA ARG A 98 12.414 2.059 83.526 1.00 47.59 C ATOM 894 C ARG A 98 11.212 2.736 82.865 1.00 47.50 C ATOM 895 O ARG A 98 11.348 3.509 81.906 1.00 46.13 O ATOM 896 CB ARG A 98 12.489 0.596 83.082 1.00 55.83 C ATOM 897 CG ARG A 98 13.880 0.141 82.654 1.00 72.45 C ATOM 898 CD ARG A 98 13.902 -1.349 82.345 1.00 78.24 C ATOM 899 NE ARG A 98 13.455 -2.155 83.484 1.00 79.13 N ATOM 900 CZ ARG A 98 14.264 -2.651 84.418 1.00 76.45 C ATOM 901 NH1 ARG A 98 15.574 -2.431 84.364 1.00 76.04 N ATOM 902 NH2 ARG A 98 13.759 -3.374 85.405 1.00 76.44 N ATOM 903 HE ARG A 98 12.438 -2.353 83.569 1.00 0.00 H ATOM 904 HH12 ARG A 98 16.198 -2.823 85.098 1.00 0.00 H ATOM 905 HH11 ARG A 98 15.975 -1.867 83.588 1.00 0.00 H ATOM 906 HH22 ARG A 98 14.386 -3.764 86.137 1.00 0.00 H ATOM 907 HH21 ARG A 98 12.735 -3.552 85.448 1.00 0.00 H ATOM 908 H ARG A 98 12.239 1.275 85.543 1.00 0.00 H ATOM 909 N VAL A 99 10.034 2.425 83.398 1.00 36.95 N ATOM 910 CA VAL A 99 8.778 2.991 82.935 1.00 36.05 C ATOM 911 C VAL A 99 8.834 4.524 82.985 1.00 39.77 C ATOM 912 O VAL A 99 8.401 5.204 82.049 1.00 36.77 O ATOM 913 CB VAL A 99 7.594 2.431 83.771 1.00 36.97 C ATOM 914 CG1 VAL A 99 6.334 3.303 83.638 1.00 21.09 C ATOM 915 CG2 VAL A 99 7.308 0.964 83.384 1.00 27.12 C ATOM 916 H VAL A 99 10.010 1.744 84.184 1.00 0.00 H ATOM 917 N ASP A 100 9.398 5.060 84.064 1.00 31.26 N ATOM 918 CA ASP A 100 9.448 6.502 84.270 1.00 33.74 C ATOM 919 C ASP A 100 10.352 7.170 83.238 1.00 43.50 C ATOM 920 O ASP A 100 10.086 8.295 82.809 1.00 50.64 O ATOM 921 CB ASP A 100 9.912 6.837 85.704 1.00 50.18 C ATOM 922 CG ASP A 100 8.767 6.812 86.727 1.00 61.37 C ATOM 923 OD1 ASP A 100 7.579 6.984 86.352 1.00 55.67 O ATOM 924 OD2 ASP A 100 9.069 6.639 87.925 1.00 80.30 O ATOM 925 H ASP A 100 9.815 4.432 84.781 1.00 0.00 H ATOM 926 N LYS A 101 11.415 6.471 82.844 1.00 46.07 N ATOM 927 CA LYS A 101 12.363 6.983 81.853 1.00 50.81 C ATOM 928 C LYS A 101 11.794 6.857 80.438 1.00 39.60 C ATOM 929 O LYS A 101 11.990 7.730 79.593 1.00 35.39 O ATOM 930 CB LYS A 101 13.707 6.253 81.978 1.00 53.02 C ATOM 931 CG LYS A 101 14.377 6.458 83.332 1.00 70.40 C ATOM 932 CD LYS A 101 15.629 5.604 83.511 1.00 81.12 C ATOM 933 CE LYS A 101 16.527 6.170 84.608 1.00 76.14 C ATOM 934 NZ LYS A 101 17.623 5.234 85.000 1.00 72.78 N ATOM 935 HZ1 LYS A 101 17.210 4.347 85.353 1.00 0.00 H ATOM 936 HZ2 LYS A 101 18.220 5.035 84.172 1.00 0.00 H ATOM 937 HZ3 LYS A 101 18.200 5.671 85.747 1.00 0.00 H ATOM 938 H LYS A 101 11.577 5.529 83.254 1.00 0.00 H ATOM 939 N ILE A 102 11.086 5.767 80.185 1.00 32.06 N ATOM 940 CA ILE A 102 10.383 5.600 78.919 1.00 34.64 C ATOM 941 C ILE A 102 9.389 6.740 78.722 1.00 41.13 C ATOM 942 O ILE A 102 9.323 7.354 77.644 1.00 37.83 O ATOM 943 CB ILE A 102 9.644 4.258 78.878 1.00 39.79 C ATOM 944 CG1 ILE A 102 10.647 3.121 78.605 1.00 26.30 C ATOM 945 CG2 ILE A 102 8.529 4.288 77.830 1.00 24.36 C ATOM 946 CD1 ILE A 102 10.050 1.728 78.850 1.00 27.24 C ATOM 947 H ILE A 102 11.030 5.016 80.903 1.00 0.00 H ATOM 948 N ILE A 103 8.624 7.024 79.774 1.00 35.80 N ATOM 949 CA ILE A 103 7.651 8.108 79.751 1.00 43.20 C ATOM 950 C ILE A 103 8.345 9.465 79.523 1.00 53.63 C ATOM 951 O ILE A 103 7.823 10.331 78.818 1.00 48.67 O ATOM 952 CB ILE A 103 6.825 8.129 81.050 1.00 30.31 C ATOM 953 CG1 ILE A 103 5.788 7.005 81.025 1.00 26.51 C ATOM 954 CG2 ILE A 103 6.129 9.469 81.222 1.00 30.02 C ATOM 955 CD1 ILE A 103 5.059 6.863 82.353 1.00 35.92 C ATOM 956 H ILE A 103 8.724 6.455 80.639 1.00 0.00 H ATOM 957 N GLU A 104 9.525 9.633 80.112 1.00 39.46 N ATOM 958 CA GLU A 104 10.335 10.825 79.906 1.00 49.69 C ATOM 959 C GLU A 104 10.740 11.015 78.434 1.00 41.75 C ATOM 960 O GLU A 104 10.721 12.139 77.925 1.00 34.12 O ATOM 961 CB GLU A 104 11.569 10.797 80.822 1.00 65.20 C ATOM 962 CG GLU A 104 12.032 12.173 81.260 1.00 98.06 C ATOM 963 CD GLU A 104 10.872 13.072 81.678 1.00122.61 C ATOM 964 OE1 GLU A 104 10.823 14.240 81.224 1.00125.66 O ATOM 965 OE2 GLU A 104 10.010 12.614 82.462 1.00131.00 O ATOM 966 H GLU A 104 9.882 8.887 80.742 1.00 0.00 H ATOM 967 N ASN A 105 11.087 9.921 77.755 1.00 38.72 N ATOM 968 CA ASN A 105 11.442 9.969 76.332 1.00 39.34 C ATOM 969 C ASN A 105 10.261 10.271 75.400 1.00 43.94 C ATOM 970 O ASN A 105 10.446 10.788 74.296 1.00 49.58 O ATOM 971 CB ASN A 105 12.135 8.665 75.900 1.00 46.70 C ATOM 972 CG ASN A 105 13.567 8.558 76.419 1.00 47.10 C ATOM 973 OD1 ASN A 105 14.246 9.568 76.609 1.00 62.60 O ATOM 974 ND2 ASN A 105 14.032 7.329 76.642 1.00 43.00 N ATOM 975 HD22 ASN A 105 13.424 6.503 76.468 1.00 0.00 H ATOM 976 HD21 ASN A 105 15.003 7.196 76.990 1.00 0.00 H ATOM 977 H ASN A 105 11.107 9.006 78.249 1.00 0.00 H ATOM 978 N LEU A 106 9.049 9.946 75.838 1.00 45.60 N ATOM 979 CA LEU A 106 7.874 10.201 75.014 1.00 44.92 C ATOM 980 C LEU A 106 7.503 11.684 75.014 1.00 44.08 C ATOM 981 O LEU A 106 7.019 12.204 74.014 1.00 56.86 O ATOM 982 CB LEU A 106 6.687 9.347 75.462 1.00 42.78 C ATOM 983 CG LEU A 106 6.801 7.823 75.385 1.00 42.76 C ATOM 984 CD1 LEU A 106 5.635 7.195 76.151 1.00 32.77 C ATOM 985 CD2 LEU A 106 6.864 7.317 73.942 1.00 40.51 C ATOM 986 H LEU A 106 8.938 9.507 76.774 1.00 0.00 H ATOM 987 N GLU A 107 7.732 12.363 76.134 1.00 60.78 N ATOM 988 CA GLU A 107 7.436 13.797 76.236 1.00 73.77 C ATOM 989 C GLU A 107 8.421 14.653 75.422 1.00 82.70 C ATOM 990 O GLU A 107 8.016 15.557 74.687 1.00 92.32 O ATOM 991 CB GLU A 107 7.350 14.229 77.703 1.00 67.66 C ATOM 992 CG GLU A 107 5.969 13.949 78.310 1.00 84.52 C ATOM 993 CD GLU A 107 6.021 13.463 79.752 1.00105.42 C ATOM 994 OE1 GLU A 107 7.130 13.393 80.328 1.00117.95 O ATOM 995 OE2 GLU A 107 4.943 13.147 80.308 1.00109.81 O ATOM 996 H GLU A 107 8.130 11.867 76.957 1.00 0.00 H ATOM 997 N ALA A 108 9.710 14.358 75.551 1.00 77.00 N ATOM 998 CA ALA A 108 10.730 14.962 74.701 1.00 84.64 C ATOM 999 C ALA A 108 12.073 14.256 74.867 1.00 80.51 C ATOM 1000 O ALA A 108 12.306 13.213 74.261 1.00 75.94 O ATOM 1001 CB ALA A 108 10.858 16.466 74.987 1.00 92.37 C ATOM 1002 H ALA A 108 10.001 13.676 76.280 1.00 0.00 H TER 1003 ALA A 108 ATOM 1004 N PRO B 5 5.681 -11.314 87.403 1.00 80.37 N ATOM 1005 CA PRO B 5 4.536 -10.598 87.982 1.00 75.13 C ATOM 1006 C PRO B 5 3.622 -10.037 86.890 1.00 74.92 C ATOM 1007 O PRO B 5 3.741 -8.870 86.509 1.00 74.98 O ATOM 1008 CB PRO B 5 5.208 -9.460 88.749 1.00 65.91 C ATOM 1009 CG PRO B 5 6.444 -9.154 87.913 1.00 73.18 C ATOM 1010 CD PRO B 5 6.856 -10.438 87.226 1.00 71.26 C ATOM 1011 HN2 PRO B 5 5.404 -11.695 86.476 1.00 0.00 H ATOM 1012 HN1 PRO B 5 5.940 -12.098 88.035 1.00 0.00 H ATOM 1013 N LYS B 6 2.706 -10.873 86.417 1.00 77.91 N ATOM 1014 CA LYS B 6 1.902 -10.593 85.236 1.00 80.97 C ATOM 1015 C LYS B 6 1.133 -9.282 85.290 1.00 70.95 C ATOM 1016 O LYS B 6 1.088 -8.540 84.299 1.00 58.97 O ATOM 1017 CB LYS B 6 0.910 -11.738 85.001 1.00100.92 C ATOM 1018 CG LYS B 6 1.514 -13.119 85.172 1.00117.30 C ATOM 1019 CD LYS B 6 2.683 -13.330 84.222 1.00123.84 C ATOM 1020 CE LYS B 6 3.521 -14.531 84.644 1.00126.42 C ATOM 1021 NZ LYS B 6 4.343 -15.050 83.517 1.00125.91 N ATOM 1022 HZ1 LYS B 6 3.718 -15.343 82.739 1.00 0.00 H ATOM 1023 HZ2 LYS B 6 4.985 -14.302 83.184 1.00 0.00 H ATOM 1024 HZ3 LYS B 6 4.899 -15.866 83.842 1.00 0.00 H ATOM 1025 H LYS B 6 2.555 -11.773 86.915 1.00 0.00 H ATOM 1026 N GLU B 7 0.515 -8.994 86.430 1.00 64.12 N ATOM 1027 CA GLU B 7 -0.391 -7.854 86.476 1.00 67.38 C ATOM 1028 C GLU B 7 0.297 -6.522 86.804 1.00 64.29 C ATOM 1029 O GLU B 7 -0.322 -5.456 86.686 1.00 47.91 O ATOM 1030 CB GLU B 7 -1.604 -8.138 87.368 1.00 80.19 C ATOM 1031 CG GLU B 7 -2.602 -9.117 86.725 1.00 98.70 C ATOM 1032 CD GLU B 7 -3.295 -8.539 85.483 1.00109.61 C ATOM 1033 OE1 GLU B 7 -3.650 -7.340 85.499 1.00120.09 O ATOM 1034 OE2 GLU B 7 -3.492 -9.282 84.494 1.00102.08 O ATOM 1035 H GLU B 7 0.676 -9.574 87.278 1.00 0.00 H ATOM 1036 N MET B 8 1.575 -6.583 87.190 1.00 57.50 N ATOM 1037 CA MET B 8 2.401 -5.375 87.267 1.00 40.18 C ATOM 1038 C MET B 8 2.905 -4.952 85.886 1.00 36.50 C ATOM 1039 O MET B 8 2.893 -3.766 85.548 1.00 50.28 O ATOM 1040 CB MET B 8 3.573 -5.553 88.223 1.00 40.22 C ATOM 1041 CG MET B 8 4.264 -4.242 88.547 1.00 51.09 C ATOM 1042 SD MET B 8 5.742 -4.408 89.570 1.00 80.63 S ATOM 1043 CE MET B 8 6.818 -5.341 88.479 1.00 53.94 C ATOM 1044 H MET B 8 1.990 -7.503 87.440 1.00 0.00 H ATOM 1045 N LEU B 9 3.347 -5.918 85.087 1.00 38.94 N ATOM 1046 CA LEU B 9 3.698 -5.650 83.689 1.00 49.40 C ATOM 1047 C LEU B 9 2.502 -5.084 82.926 1.00 31.72 C ATOM 1048 O LEU B 9 2.633 -4.152 82.128 1.00 31.22 O ATOM 1049 CB LEU B 9 4.183 -6.929 83.005 1.00 68.02 C ATOM 1050 CG LEU B 9 4.602 -6.774 81.540 1.00 62.00 C ATOM 1051 CD1 LEU B 9 5.888 -5.952 81.452 1.00 51.00 C ATOM 1052 CD2 LEU B 9 4.768 -8.139 80.876 1.00 44.64 C ATOM 1053 H LEU B 9 3.446 -6.883 85.461 1.00 0.00 H ATOM 1054 N ARG B 10 1.332 -5.654 83.189 1.00 33.78 N ATOM 1055 CA ARG B 10 0.081 -5.172 82.613 1.00 33.56 C ATOM 1056 C ARG B 10 -0.147 -3.696 82.981 1.00 37.26 C ATOM 1057 O ARG B 10 -0.419 -2.873 82.115 1.00 32.59 O ATOM 1058 CB ARG B 10 -1.087 -6.059 83.084 1.00 38.45 C ATOM 1059 CG ARG B 10 -2.498 -5.487 82.873 1.00 51.26 C ATOM 1060 CD ARG B 10 -2.967 -5.641 81.431 1.00 69.96 C ATOM 1061 NE ARG B 10 -4.350 -5.198 81.228 1.00 88.09 N ATOM 1062 CZ ARG B 10 -4.718 -3.924 81.089 1.00 91.06 C ATOM 1063 NH1 ARG B 10 -3.804 -2.959 81.146 1.00 91.92 N ATOM 1064 NH2 ARG B 10 -5.997 -3.613 80.899 1.00 79.98 N ATOM 1065 HE ARG B 10 -5.093 -5.925 81.190 1.00 0.00 H ATOM 1066 HH12 ARG B 10 -4.090 -1.965 81.038 1.00 0.00 H ATOM 1067 HH11 ARG B 10 -2.804 -3.199 81.299 1.00 0.00 H ATOM 1068 HH22 ARG B 10 -6.280 -2.618 80.791 1.00 0.00 H ATOM 1069 HH21 ARG B 10 -6.714 -4.365 80.858 1.00 0.00 H ATOM 1070 H ARG B 10 1.306 -6.474 83.829 1.00 0.00 H ATOM 1071 N ALA B 11 -0.021 -3.369 84.266 1.00 32.79 N ATOM 1072 CA ALA B 11 -0.169 -1.992 84.728 1.00 31.40 C ATOM 1073 C ALA B 11 0.843 -1.056 84.066 1.00 30.89 C ATOM 1074 O ALA B 11 0.499 0.049 83.618 1.00 32.49 O ATOM 1075 CB ALA B 11 -0.028 -1.934 86.243 1.00 31.20 C ATOM 1076 H ALA B 11 0.189 -4.115 84.959 1.00 0.00 H ATOM 1077 N GLN B 12 2.092 -1.509 84.004 1.00 28.16 N ATOM 1078 CA GLN B 12 3.167 -0.739 83.379 1.00 30.16 C ATOM 1079 C GLN B 12 2.880 -0.445 81.911 1.00 24.97 C ATOM 1080 O GLN B 12 3.066 0.675 81.443 1.00 21.90 O ATOM 1081 CB GLN B 12 4.500 -1.462 83.571 1.00 32.45 C ATOM 1082 CG GLN B 12 4.899 -1.503 85.063 1.00 25.93 C ATOM 1083 CD GLN B 12 6.168 -2.289 85.346 1.00 38.11 C ATOM 1084 OE1 GLN B 12 6.721 -2.948 84.461 1.00 39.66 O ATOM 1085 NE2 GLN B 12 6.637 -2.222 86.595 1.00 38.06 N ATOM 1086 HE22 GLN B 12 6.137 -1.654 87.308 1.00 0.00 H ATOM 1087 HE21 GLN B 12 7.502 -2.738 86.854 1.00 0.00 H ATOM 1088 H GLN B 12 2.311 -2.440 84.413 1.00 0.00 H ATOM 1089 N THR B 13 2.381 -1.445 81.203 1.00 23.01 N ATOM 1090 CA THR B 13 2.122 -1.311 79.784 1.00 23.67 C ATOM 1091 C THR B 13 0.979 -0.329 79.551 1.00 32.46 C ATOM 1092 O THR B 13 0.986 0.442 78.588 1.00 33.67 O ATOM 1093 CB THR B 13 1.771 -2.680 79.171 1.00 23.14 C ATOM 1094 OG1 THR B 13 2.816 -3.618 79.482 1.00 31.83 O ATOM 1095 CG2 THR B 13 1.595 -2.558 77.645 1.00 22.81 C ATOM 1096 HG1 THR B 13 2.899 -3.704 80.465 1.00 0.00 H ATOM 1097 H THR B 13 2.170 -2.347 81.676 1.00 0.00 H ATOM 1098 N ASN B 14 -0.009 -0.380 80.438 1.00 29.32 N ATOM 1099 CA ASN B 14 -1.170 0.514 80.409 1.00 23.27 C ATOM 1100 C ASN B 14 -0.758 1.998 80.494 1.00 29.29 C ATOM 1101 O ASN B 14 -1.164 2.833 79.678 1.00 28.35 O ATOM 1102 CB ASN B 14 -2.077 0.155 81.586 1.00 46.64 C ATOM 1103 CG ASN B 14 -3.529 0.444 81.316 1.00 58.03 C ATOM 1104 OD1 ASN B 14 -4.227 -0.357 80.692 1.00 48.71 O ATOM 1105 ND2 ASN B 14 -4.005 1.587 81.809 1.00 66.41 N ATOM 1106 HD22 ASN B 14 -3.376 2.231 82.329 1.00 0.00 H ATOM 1107 HD21 ASN B 14 -5.006 1.835 81.674 1.00 0.00 H ATOM 1108 H ASN B 14 0.044 -1.093 81.194 1.00 0.00 H ATOM 1109 N VAL B 15 0.063 2.302 81.495 1.00 22.19 N ATOM 1110 CA VAL B 15 0.574 3.641 81.741 1.00 32.43 C ATOM 1111 C VAL B 15 1.344 4.171 80.545 1.00 27.20 C ATOM 1112 O VAL B 15 1.234 5.346 80.176 1.00 31.28 O ATOM 1113 CB VAL B 15 1.532 3.615 82.952 1.00 34.81 C ATOM 1114 CG1 VAL B 15 2.233 4.955 83.115 1.00 36.91 C ATOM 1115 CG2 VAL B 15 0.765 3.232 84.200 1.00 31.25 C ATOM 1116 H VAL B 15 0.356 1.539 82.138 1.00 0.00 H ATOM 1117 N ILE B 16 2.150 3.292 79.962 1.00 21.17 N ATOM 1118 CA ILE B 16 2.977 3.633 78.813 1.00 25.32 C ATOM 1119 C ILE B 16 2.112 3.949 77.593 1.00 24.62 C ATOM 1120 O ILE B 16 2.298 4.986 76.952 1.00 29.58 O ATOM 1121 CB ILE B 16 3.974 2.497 78.509 1.00 21.37 C ATOM 1122 CG1 ILE B 16 5.089 2.495 79.567 1.00 20.83 C ATOM 1123 CG2 ILE B 16 4.572 2.663 77.117 1.00 20.48 C ATOM 1124 CD1 ILE B 16 6.025 1.289 79.478 1.00 24.96 C ATOM 1125 H ILE B 16 2.192 2.324 80.340 1.00 0.00 H ATOM 1126 N LEU B 17 1.170 3.052 77.294 1.00 19.07 N ATOM 1127 CA LEU B 17 0.221 3.218 76.191 1.00 21.16 C ATOM 1128 C LEU B 17 -0.593 4.496 76.334 1.00 21.10 C ATOM 1129 O LEU B 17 -0.777 5.231 75.368 1.00 22.65 O ATOM 1130 CB LEU B 17 -0.713 2.002 76.094 1.00 20.27 C ATOM 1131 CG LEU B 17 0.044 0.698 75.790 1.00 27.07 C ATOM 1132 CD1 LEU B 17 -0.878 -0.507 75.615 1.00 24.25 C ATOM 1133 CD2 LEU B 17 0.912 0.890 74.543 1.00 20.03 C ATOM 1134 H LEU B 17 1.107 2.191 77.874 1.00 0.00 H ATOM 1135 N LEU B 18 -1.077 4.769 77.540 1.00 24.73 N ATOM 1136 CA LEU B 18 -1.815 6.001 77.765 1.00 28.28 C ATOM 1137 C LEU B 18 -0.935 7.232 77.539 1.00 26.47 C ATOM 1138 O LEU B 18 -1.375 8.229 76.966 1.00 28.81 O ATOM 1139 CB LEU B 18 -2.414 6.009 79.163 1.00 31.31 C ATOM 1140 CG LEU B 18 -3.549 4.987 79.242 1.00 32.76 C ATOM 1141 CD1 LEU B 18 -4.011 4.748 80.697 1.00 31.67 C ATOM 1142 CD2 LEU B 18 -4.702 5.411 78.334 1.00 20.86 C ATOM 1143 H LEU B 18 -0.928 4.101 78.323 1.00 0.00 H ATOM 1144 N ASN B 19 0.308 7.160 77.986 1.00 19.83 N ATOM 1145 CA ASN B 19 1.237 8.265 77.766 1.00 26.72 C ATOM 1146 C ASN B 19 1.618 8.501 76.300 1.00 27.57 C ATOM 1147 O ASN B 19 1.782 9.650 75.894 1.00 32.68 O ATOM 1148 CB ASN B 19 2.478 8.119 78.641 1.00 22.50 C ATOM 1149 CG ASN B 19 2.314 8.820 79.970 1.00 35.12 C ATOM 1150 OD1 ASN B 19 2.355 10.056 80.042 1.00 39.27 O ATOM 1151 ND2 ASN B 19 2.103 8.041 81.030 1.00 29.20 N ATOM 1152 HD22 ASN B 19 2.077 7.007 80.919 1.00 0.00 H ATOM 1153 HD21 ASN B 19 1.964 8.467 81.969 1.00 0.00 H ATOM 1154 H ASN B 19 0.625 6.312 78.497 1.00 0.00 H ATOM 1155 N VAL B 20 1.746 7.428 75.514 1.00 24.40 N ATOM 1156 CA VAL B 20 1.932 7.564 74.071 1.00 28.41 C ATOM 1157 C VAL B 20 0.760 8.327 73.467 1.00 28.17 C ATOM 1158 O VAL B 20 0.947 9.285 72.709 1.00 25.88 O ATOM 1159 CB VAL B 20 1.997 6.193 73.358 1.00 28.83 C ATOM 1160 CG1 VAL B 20 1.899 6.387 71.860 1.00 19.58 C ATOM 1161 CG2 VAL B 20 3.261 5.441 73.728 1.00 29.29 C ATOM 1162 H VAL B 20 1.713 6.479 75.937 1.00 0.00 H ATOM 1163 N LEU B 21 -0.450 7.887 73.806 1.00 23.79 N ATOM 1164 CA LEU B 21 -1.667 8.509 73.306 1.00 26.75 C ATOM 1165 C LEU B 21 -1.783 9.950 73.776 1.00 40.50 C ATOM 1166 O LEU B 21 -2.333 10.800 73.075 1.00 31.23 O ATOM 1167 CB LEU B 21 -2.909 7.747 73.773 1.00 23.00 C ATOM 1168 CG LEU B 21 -3.113 6.350 73.191 1.00 29.26 C ATOM 1169 CD1 LEU B 21 -4.530 5.893 73.506 1.00 23.24 C ATOM 1170 CD2 LEU B 21 -2.853 6.343 71.684 1.00 18.36 C ATOM 1171 H LEU B 21 -0.528 7.073 74.449 1.00 0.00 H ATOM 1172 N LYS B 22 -1.280 10.222 74.976 1.00 42.49 N ATOM 1173 CA LYS B 22 -1.273 11.584 75.470 1.00 28.72 C ATOM 1174 C LYS B 22 -0.431 12.489 74.560 1.00 31.00 C ATOM 1175 O LYS B 22 -0.787 13.641 74.334 1.00 24.61 O ATOM 1176 CB LYS B 22 -0.783 11.656 76.914 1.00 31.48 C ATOM 1177 CG LYS B 22 -0.908 13.070 77.489 1.00 38.88 C ATOM 1178 CD LYS B 22 -0.374 13.165 78.903 1.00 37.05 C ATOM 1179 CE LYS B 22 0.392 14.474 79.083 1.00 46.01 C ATOM 1180 NZ LYS B 22 1.039 14.556 80.428 1.00 50.80 N ATOM 1181 HZ1 LYS B 22 0.309 14.499 81.167 1.00 0.00 H ATOM 1182 HZ2 LYS B 22 1.708 13.767 80.538 1.00 0.00 H ATOM 1183 HZ3 LYS B 22 1.549 15.459 80.512 1.00 0.00 H ATOM 1184 H LYS B 22 -0.891 9.456 75.561 1.00 0.00 H ATOM 1185 N GLN B 23 0.673 11.966 74.026 1.00 37.49 N ATOM 1186 CA GLN B 23 1.498 12.743 73.091 1.00 43.59 C ATOM 1187 C GLN B 23 0.775 13.051 71.767 1.00 43.99 C ATOM 1188 O GLN B 23 1.038 14.075 71.150 1.00 42.37 O ATOM 1189 CB GLN B 23 2.867 12.082 72.824 1.00 26.18 C ATOM 1190 CG GLN B 23 3.677 11.764 74.084 1.00 45.06 C ATOM 1191 CD GLN B 23 3.516 12.807 75.193 1.00 62.30 C ATOM 1192 OE1 GLN B 23 3.598 14.029 74.951 1.00 53.84 O ATOM 1193 NE2 GLN B 23 3.284 12.323 76.425 1.00 43.53 N ATOM 1194 HE22 GLN B 23 3.224 11.296 76.577 1.00 0.00 H ATOM 1195 HE21 GLN B 23 3.164 12.975 77.226 1.00 0.00 H ATOM 1196 H GLN B 23 0.954 10.996 74.274 1.00 0.00 H ATOM 1197 N GLY B 24 -0.126 12.163 71.342 1.00 40.46 N ATOM 1198 CA GLY B 24 -0.907 12.343 70.119 1.00 35.86 C ATOM 1199 C GLY B 24 -1.692 11.087 69.716 1.00 33.43 C ATOM 1200 O GLY B 24 -1.331 9.975 70.133 1.00 29.86 O ATOM 1201 H GLY B 24 -0.280 11.303 71.907 1.00 0.00 H ATOM 1202 N ASP B 25 -2.765 11.247 68.930 1.00 32.80 N ATOM 1203 CA ASP B 25 -3.495 10.089 68.368 1.00 31.72 C ATOM 1204 C ASP B 25 -2.496 9.230 67.601 1.00 30.35 C ATOM 1205 O ASP B 25 -1.590 9.768 66.969 1.00 29.72 O ATOM 1206 CB ASP B 25 -4.587 10.530 67.380 1.00 29.54 C ATOM 1207 CG ASP B 25 -5.690 11.336 68.030 1.00 22.23 C ATOM 1208 OD1 ASP B 25 -5.576 11.692 69.227 1.00 22.46 O ATOM 1209 OD2 ASP B 25 -6.674 11.627 67.322 1.00 34.86 O ATOM 1210 H ASP B 25 -3.093 12.209 68.709 1.00 0.00 H ATOM 1211 N ASN B 26 -2.656 7.907 67.645 1.00 28.26 N ATOM 1212 CA ASN B 26 -1.681 7.011 67.022 1.00 20.41 C ATOM 1213 C ASN B 26 -2.319 5.681 66.662 1.00 18.86 C ATOM 1214 O ASN B 26 -3.408 5.370 67.132 1.00 28.57 O ATOM 1215 CB ASN B 26 -0.489 6.765 67.972 1.00 17.92 C ATOM 1216 CG ASN B 26 0.859 6.825 67.258 1.00 31.15 C ATOM 1217 OD1 ASN B 26 1.046 6.226 66.190 1.00 30.19 O ATOM 1218 ND2 ASN B 26 1.811 7.553 67.853 1.00 30.36 N ATOM 1219 HD22 ASN B 26 1.609 8.039 68.750 1.00 0.00 H ATOM 1220 HD21 ASN B 26 2.753 7.632 67.419 1.00 0.00 H ATOM 1221 H ASN B 26 -3.485 7.506 68.129 1.00 0.00 H ATOM 1222 N TYR B 27 -1.628 4.896 65.839 1.00 34.78 N ATOM 1223 CA TYR B 27 -2.094 3.565 65.462 1.00 26.26 C ATOM 1224 C TYR B 27 -1.112 2.515 65.983 1.00 26.86 C ATOM 1225 O TYR B 27 0.052 2.828 66.287 1.00 26.83 O ATOM 1226 CB TYR B 27 -2.250 3.454 63.942 1.00 26.68 C ATOM 1227 CG TYR B 27 -0.951 3.603 63.182 1.00 33.40 C ATOM 1228 CD1 TYR B 27 -0.360 4.851 63.011 1.00 32.96 C ATOM 1229 CD2 TYR B 27 -0.312 2.493 62.630 1.00 43.56 C ATOM 1230 CE1 TYR B 27 0.844 4.994 62.307 1.00 41.33 C ATOM 1231 CE2 TYR B 27 0.886 2.624 61.925 1.00 49.12 C ATOM 1232 CZ TYR B 27 1.457 3.876 61.767 1.00 50.36 C ATOM 1233 OH TYR B 27 2.642 4.014 61.077 1.00 56.16 O ATOM 1234 HH TYR B 27 2.904 4.969 61.061 1.00 0.00 H ATOM 1235 H TYR B 27 -0.727 5.242 65.452 1.00 0.00 H ATOM 1236 N VAL B 28 -1.578 1.269 66.075 1.00 26.43 N ATOM 1237 CA VAL B 28 -0.874 0.228 66.815 1.00 24.73 C ATOM 1238 C VAL B 28 0.613 0.128 66.477 1.00 38.41 C ATOM 1239 O VAL B 28 1.464 0.101 67.377 1.00 35.95 O ATOM 1240 CB VAL B 28 -1.553 -1.137 66.631 1.00 31.63 C ATOM 1241 CG1 VAL B 28 -0.713 -2.236 67.248 1.00 27.71 C ATOM 1242 CG2 VAL B 28 -2.954 -1.102 67.262 1.00 34.19 C ATOM 1243 H VAL B 28 -2.474 1.032 65.603 1.00 0.00 H ATOM 1244 N TYR B 29 0.926 0.079 65.188 1.00 20.64 N ATOM 1245 CA TYR B 29 2.310 -0.066 64.755 1.00 39.91 C ATOM 1246 C TYR B 29 3.117 1.171 65.125 1.00 35.21 C ATOM 1247 O TYR B 29 4.271 1.056 65.533 1.00 37.78 O ATOM 1248 CB TYR B 29 2.388 -0.309 63.243 1.00 53.61 C ATOM 1249 CG TYR B 29 1.798 -1.623 62.777 1.00 68.51 C ATOM 1250 CD1 TYR B 29 2.147 -2.825 63.389 1.00 54.77 C ATOM 1251 CD2 TYR B 29 0.884 -1.659 61.724 1.00 77.35 C ATOM 1252 CE1 TYR B 29 1.608 -4.027 62.959 1.00 74.49 C ATOM 1253 CE2 TYR B 29 0.336 -2.858 61.287 1.00 80.23 C ATOM 1254 CZ TYR B 29 0.702 -4.039 61.908 1.00 87.51 C ATOM 1255 OH TYR B 29 0.162 -5.231 61.478 1.00 89.57 O ATOM 1256 HH TYR B 29 0.526 -5.973 62.024 1.00 0.00 H ATOM 1257 H TYR B 29 0.171 0.145 64.475 1.00 0.00 H ATOM 1258 N GLY B 30 2.512 2.351 64.977 1.00 28.82 N ATOM 1259 CA GLY B 30 3.187 3.594 65.325 1.00 33.03 C ATOM 1260 C GLY B 30 3.554 3.645 66.803 1.00 30.63 C ATOM 1261 O GLY B 30 4.654 4.059 67.171 1.00 37.29 O ATOM 1262 H GLY B 30 1.541 2.384 64.606 1.00 0.00 H ATOM 1263 N ILE B 31 2.619 3.206 67.640 1.00 28.86 N ATOM 1264 CA ILE B 31 2.783 3.148 69.086 1.00 23.36 C ATOM 1265 C ILE B 31 3.928 2.204 69.469 1.00 30.77 C ATOM 1266 O ILE B 31 4.785 2.536 70.288 1.00 40.36 O ATOM 1267 CB ILE B 31 1.448 2.682 69.728 1.00 22.26 C ATOM 1268 CG1 ILE B 31 0.369 3.754 69.513 1.00 23.57 C ATOM 1269 CG2 ILE B 31 1.613 2.358 71.199 1.00 17.87 C ATOM 1270 CD1 ILE B 31 -1.052 3.312 69.910 1.00 26.04 C ATOM 1271 H ILE B 31 1.715 2.884 67.238 1.00 0.00 H ATOM 1272 N ILE B 32 3.933 1.027 68.859 1.00 28.67 N ATOM 1273 CA ILE B 32 4.949 0.015 69.104 1.00 29.39 C ATOM 1274 C ILE B 32 6.343 0.512 68.734 1.00 30.80 C ATOM 1275 O ILE B 32 7.313 0.213 69.426 1.00 35.59 O ATOM 1276 CB ILE B 32 4.626 -1.263 68.312 1.00 34.84 C ATOM 1277 CG1 ILE B 32 3.373 -1.925 68.896 1.00 28.61 C ATOM 1278 CG2 ILE B 32 5.833 -2.220 68.297 1.00 25.41 C ATOM 1279 CD1 ILE B 32 2.885 -3.105 68.073 1.00 34.91 C ATOM 1280 H ILE B 32 3.178 0.818 68.175 1.00 0.00 H ATOM 1281 N LYS B 33 6.442 1.273 67.647 1.00 30.16 N ATOM 1282 CA LYS B 33 7.717 1.873 67.248 1.00 34.64 C ATOM 1283 C LYS B 33 8.197 2.915 68.267 1.00 38.60 C ATOM 1284 O LYS B 33 9.357 2.915 68.683 1.00 32.12 O ATOM 1285 CB LYS B 33 7.608 2.526 65.865 1.00 35.60 C ATOM 1286 CG LYS B 33 8.716 3.554 65.597 1.00 56.13 C ATOM 1287 CD LYS B 33 9.167 3.550 64.132 1.00 78.81 C ATOM 1288 CE LYS B 33 10.583 4.133 63.954 1.00 86.68 C ATOM 1289 NZ LYS B 33 10.611 5.620 63.821 1.00 87.12 N ATOM 1290 HZ1 LYS B 33 10.054 5.903 62.990 1.00 0.00 H ATOM 1291 HZ2 LYS B 33 10.205 6.051 64.676 1.00 0.00 H ATOM 1292 HZ3 LYS B 33 11.594 5.938 63.705 1.00 0.00 H ATOM 1293 H LYS B 33 5.595 1.446 67.068 1.00 0.00 H ATOM 1294 N GLN B 34 7.292 3.807 68.650 1.00 30.29 N ATOM 1295 CA GLN B 34 7.593 4.857 69.604 1.00 30.36 C ATOM 1296 C GLN B 34 8.001 4.269 70.955 1.00 33.22 C ATOM 1297 O GLN B 34 8.928 4.771 71.599 1.00 29.42 O ATOM 1298 CB GLN B 34 6.372 5.769 69.765 1.00 34.96 C ATOM 1299 CG GLN B 34 6.703 7.228 69.926 1.00 53.27 C ATOM 1300 CD GLN B 34 5.602 8.109 69.386 1.00 68.69 C ATOM 1301 OE1 GLN B 34 5.270 8.039 68.197 1.00 78.72 O ATOM 1302 NE2 GLN B 34 5.013 8.938 70.258 1.00 52.02 N ATOM 1303 HE22 GLN B 34 5.328 8.960 71.249 1.00 0.00 H ATOM 1304 HE21 GLN B 34 4.240 9.559 69.944 1.00 0.00 H ATOM 1305 H GLN B 34 6.333 3.751 68.252 1.00 0.00 H ATOM 1306 N VAL B 35 7.322 3.207 71.388 1.00 23.09 N ATOM 1307 CA VAL B 35 7.665 2.617 72.675 1.00 29.45 C ATOM 1308 C VAL B 35 9.023 1.909 72.606 1.00 35.82 C ATOM 1309 O VAL B 35 9.812 1.973 73.556 1.00 33.63 O ATOM 1310 CB VAL B 35 6.556 1.692 73.245 1.00 18.85 C ATOM 1311 CG1 VAL B 35 7.066 0.930 74.451 1.00 20.13 C ATOM 1312 CG2 VAL B 35 5.310 2.511 73.620 1.00 16.64 C ATOM 1313 H VAL B 35 6.555 2.804 70.813 1.00 0.00 H ATOM 1314 N LYS B 36 9.314 1.260 71.481 1.00 36.43 N ATOM 1315 CA LYS B 36 10.605 0.590 71.325 1.00 42.00 C ATOM 1316 C LYS B 36 11.771 1.590 71.306 1.00 41.89 C ATOM 1317 O LYS B 36 12.841 1.330 71.862 1.00 35.43 O ATOM 1318 CB LYS B 36 10.635 -0.288 70.068 1.00 37.60 C ATOM 1319 CG LYS B 36 11.966 -1.002 69.868 1.00 41.08 C ATOM 1320 CD LYS B 36 11.889 -2.047 68.756 1.00 65.52 C ATOM 1321 CE LYS B 36 13.280 -2.528 68.325 1.00 74.09 C ATOM 1322 NZ LYS B 36 13.964 -1.549 67.431 1.00 75.76 N ATOM 1323 HZ1 LYS B 36 13.392 -1.405 66.574 1.00 0.00 H ATOM 1324 HZ2 LYS B 36 14.075 -0.644 67.931 1.00 0.00 H ATOM 1325 HZ3 LYS B 36 14.900 -1.918 67.166 1.00 0.00 H ATOM 1326 H LYS B 36 8.619 1.229 70.708 1.00 0.00 H ATOM 1327 N GLU B 37 11.553 2.738 70.679 1.00 39.73 N ATOM 1328 CA GLU B 37 12.572 3.783 70.591 1.00 43.65 C ATOM 1329 C GLU B 37 12.808 4.430 71.966 1.00 40.28 C ATOM 1330 O GLU B 37 13.945 4.554 72.419 1.00 45.42 O ATOM 1331 CB GLU B 37 12.138 4.813 69.533 1.00 40.60 C ATOM 1332 CG GLU B 37 12.674 6.216 69.705 1.00 70.12 C ATOM 1333 CD GLU B 37 14.021 6.415 69.036 1.00 85.35 C ATOM 1334 OE1 GLU B 37 14.610 5.412 68.576 1.00 95.66 O ATOM 1335 OE2 GLU B 37 14.490 7.574 68.972 1.00 84.84 O ATOM 1336 H GLU B 37 10.627 2.900 70.235 1.00 0.00 H ATOM 1337 N ALA B 38 11.717 4.817 72.626 1.00 36.09 N ATOM 1338 CA ALA B 38 11.769 5.466 73.934 1.00 27.52 C ATOM 1339 C ALA B 38 12.299 4.540 75.025 1.00 40.88 C ATOM 1340 O ALA B 38 12.683 5.001 76.103 1.00 35.08 O ATOM 1341 CB ALA B 38 10.385 5.993 74.323 1.00 29.16 C ATOM 1342 H ALA B 38 10.787 4.650 72.191 1.00 0.00 H ATOM 1343 N SER B 39 12.309 3.236 74.748 1.00 35.24 N ATOM 1344 CA SER B 39 12.772 2.252 75.716 1.00 28.59 C ATOM 1345 C SER B 39 14.175 1.763 75.365 1.00 38.56 C ATOM 1346 O SER B 39 14.623 0.727 75.870 1.00 35.50 O ATOM 1347 CB SER B 39 11.811 1.058 75.786 1.00 36.87 C ATOM 1348 OG SER B 39 11.922 0.246 74.630 1.00 41.49 O ATOM 1349 HG SER B 39 11.702 0.784 73.828 1.00 0.00 H ATOM 1350 H SER B 39 11.978 2.913 73.817 1.00 0.00 H ATOM 1351 N ASN B 40 14.863 2.508 74.500 1.00 36.66 N ATOM 1352 CA ASN B 40 16.180 2.104 74.015 1.00 48.46 C ATOM 1353 C ASN B 40 16.206 0.633 73.594 1.00 55.47 C ATOM 1354 O ASN B 40 17.236 -0.033 73.723 1.00 70.65 O ATOM 1355 CB ASN B 40 17.268 2.365 75.069 1.00 41.88 C ATOM 1356 CG ASN B 40 17.207 3.773 75.639 1.00 52.91 C ATOM 1357 OD1 ASN B 40 17.388 3.987 76.847 1.00 49.78 O ATOM 1358 ND2 ASN B 40 16.939 4.744 74.771 1.00 57.38 N ATOM 1359 HD22 ASN B 40 16.794 4.518 73.766 1.00 0.00 H ATOM 1360 HD21 ASN B 40 16.874 5.729 75.097 1.00 0.00 H ATOM 1361 H ASN B 40 14.451 3.401 74.161 1.00 0.00 H ATOM 1362 N GLY B 41 15.073 0.129 73.104 1.00 35.81 N ATOM 1363 CA GLY B 41 15.005 -1.219 72.563 1.00 41.13 C ATOM 1364 C GLY B 41 14.560 -2.290 73.540 1.00 47.57 C ATOM 1365 O GLY B 41 14.197 -3.397 73.131 1.00 49.90 O ATOM 1366 H GLY B 41 14.215 0.716 73.109 1.00 0.00 H ATOM 1367 N GLU B 42 14.580 -1.972 74.833 1.00 44.19 N ATOM 1368 CA GLU B 42 14.274 -2.976 75.854 1.00 46.08 C ATOM 1369 C GLU B 42 12.814 -3.405 75.879 1.00 46.60 C ATOM 1370 O GLU B 42 12.495 -4.451 76.450 1.00 53.56 O ATOM 1371 CB GLU B 42 14.707 -2.526 77.258 1.00 43.23 C ATOM 1372 CG GLU B 42 16.187 -2.743 77.528 1.00 68.36 C ATOM 1373 CD GLU B 42 16.745 -3.977 76.811 1.00 88.32 C ATOM 1374 OE1 GLU B 42 16.478 -5.112 77.262 1.00 84.96 O ATOM 1375 OE2 GLU B 42 17.455 -3.812 75.792 1.00 96.41 O ATOM 1376 H GLU B 42 14.815 -1.001 75.121 1.00 0.00 H ATOM 1377 N MET B 43 11.932 -2.615 75.272 1.00 37.22 N ATOM 1378 CA MET B 43 10.504 -2.936 75.314 1.00 45.10 C ATOM 1379 C MET B 43 9.842 -2.977 73.933 1.00 39.07 C ATOM 1380 O MET B 43 9.541 -1.935 73.343 1.00 38.87 O ATOM 1381 CB MET B 43 9.742 -1.968 76.227 1.00 34.75 C ATOM 1382 CG MET B 43 8.453 -2.578 76.763 1.00 26.61 C ATOM 1383 SD MET B 43 7.366 -1.381 77.541 1.00 47.21 S ATOM 1384 CE MET B 43 6.746 -2.323 78.946 1.00 93.49 C ATOM 1385 H MET B 43 12.258 -1.767 74.766 1.00 0.00 H ATOM 1386 N GLU B 44 9.621 -4.192 73.436 1.00 34.78 N ATOM 1387 CA GLU B 44 8.977 -4.417 72.144 1.00 36.46 C ATOM 1388 C GLU B 44 7.585 -5.024 72.320 1.00 32.87 C ATOM 1389 O GLU B 44 7.438 -6.234 72.518 1.00 39.79 O ATOM 1390 CB GLU B 44 9.823 -5.374 71.309 1.00 43.84 C ATOM 1391 CG GLU B 44 11.275 -5.021 71.293 1.00 74.54 C ATOM 1392 CD GLU B 44 12.133 -6.166 70.818 1.00 89.65 C ATOM 1393 OE1 GLU B 44 12.579 -6.968 71.670 1.00 80.92 O ATOM 1394 OE2 GLU B 44 12.339 -6.271 69.591 1.00101.04 O ATOM 1395 H GLU B 44 9.920 -5.018 73.992 1.00 0.00 H ATOM 1396 N LEU B 45 6.563 -4.191 72.231 1.00 33.46 N ATOM 1397 CA LEU B 45 5.213 -4.674 72.438 1.00 28.95 C ATOM 1398 C LEU B 45 4.717 -5.497 71.259 1.00 29.44 C ATOM 1399 O LEU B 45 5.001 -5.200 70.089 1.00 39.25 O ATOM 1400 CB LEU B 45 4.267 -3.510 72.731 1.00 24.58 C ATOM 1401 CG LEU B 45 4.769 -2.717 73.943 1.00 28.61 C ATOM 1402 CD1 LEU B 45 3.989 -1.424 74.129 1.00 36.62 C ATOM 1403 CD2 LEU B 45 4.696 -3.581 75.205 1.00 34.79 C ATOM 1404 H LEU B 45 6.728 -3.188 72.012 1.00 0.00 H ATOM 1405 N ASN B 46 3.992 -6.553 71.602 1.00 33.61 N ATOM 1406 CA ASN B 46 3.277 -7.386 70.651 1.00 34.10 C ATOM 1407 C ASN B 46 1.990 -6.685 70.184 1.00 43.44 C ATOM 1408 O ASN B 46 1.264 -6.080 70.986 1.00 32.12 O ATOM 1409 CB ASN B 46 2.933 -8.718 71.330 1.00 49.99 C ATOM 1410 CG ASN B 46 3.075 -9.895 70.405 1.00 74.82 C ATOM 1411 OD1 ASN B 46 3.085 -9.737 69.182 1.00 81.88 O ATOM 1412 ND2 ASN B 46 3.183 -11.092 70.979 1.00 88.31 N ATOM 1413 HD22 ASN B 46 3.169 -11.175 72.016 1.00 0.00 H ATOM 1414 HD21 ASN B 46 3.281 -11.944 70.391 1.00 0.00 H ATOM 1415 H ASN B 46 3.932 -6.799 72.611 1.00 0.00 H ATOM 1416 N GLU B 47 1.726 -6.749 68.883 1.00 41.51 N ATOM 1417 CA GLU B 47 0.508 -6.204 68.312 1.00 26.51 C ATOM 1418 C GLU B 47 -0.731 -6.636 69.103 1.00 32.86 C ATOM 1419 O GLU B 47 -1.648 -5.833 69.344 1.00 27.29 O ATOM 1420 CB GLU B 47 0.389 -6.659 66.850 1.00 27.09 C ATOM 1421 CG GLU B 47 -0.723 -6.010 66.066 1.00 49.29 C ATOM 1422 CD GLU B 47 -0.967 -6.715 64.747 1.00 62.93 C ATOM 1423 OE1 GLU B 47 -0.429 -7.831 64.573 1.00 68.33 O ATOM 1424 OE2 GLU B 47 -1.689 -6.163 63.890 1.00 66.06 O ATOM 1425 H GLU B 47 2.416 -7.205 68.252 1.00 0.00 H ATOM 1426 N ALA B 48 -0.745 -7.908 69.504 1.00 31.03 N ATOM 1427 CA ALA B 48 -1.913 -8.517 70.130 1.00 22.24 C ATOM 1428 C ALA B 48 -2.106 -7.997 71.546 1.00 28.49 C ATOM 1429 O ALA B 48 -3.240 -7.817 71.991 1.00 33.50 O ATOM 1430 CB ALA B 48 -1.806 -10.040 70.127 1.00 24.57 C ATOM 1431 H ALA B 48 0.108 -8.487 69.365 1.00 0.00 H ATOM 1432 N THR B 49 -1.005 -7.758 72.253 1.00 31.01 N ATOM 1433 CA THR B 49 -1.079 -7.166 73.580 1.00 33.24 C ATOM 1434 C THR B 49 -1.817 -5.842 73.485 1.00 28.81 C ATOM 1435 O THR B 49 -2.658 -5.537 74.333 1.00 27.54 O ATOM 1436 CB THR B 49 0.321 -6.928 74.173 1.00 38.48 C ATOM 1437 OG1 THR B 49 1.042 -8.162 74.190 1.00 37.44 O ATOM 1438 CG2 THR B 49 0.215 -6.407 75.607 1.00 38.86 C ATOM 1439 HG1 THR B 49 1.943 -8.011 74.571 1.00 0.00 H ATOM 1440 H THR B 49 -0.076 -7.998 71.851 1.00 0.00 H ATOM 1441 N LEU B 50 -1.529 -5.064 72.440 1.00 28.17 N ATOM 1442 CA LEU B 50 -2.183 -3.766 72.292 1.00 24.61 C ATOM 1443 C LEU B 50 -3.695 -3.907 72.075 1.00 25.53 C ATOM 1444 O LEU B 50 -4.484 -3.145 72.640 1.00 22.69 O ATOM 1445 CB LEU B 50 -1.511 -2.907 71.213 1.00 21.31 C ATOM 1446 CG LEU B 50 -0.432 -1.967 71.769 1.00 27.63 C ATOM 1447 CD1 LEU B 50 0.603 -2.748 72.537 1.00 35.67 C ATOM 1448 CD2 LEU B 50 0.234 -1.128 70.688 1.00 40.77 C ATOM 1449 H LEU B 50 -0.838 -5.382 71.730 1.00 0.00 H ATOM 1450 N TYR B 51 -4.104 -4.906 71.300 1.00 16.57 N ATOM 1451 CA TYR B 51 -5.526 -5.108 71.043 1.00 23.83 C ATOM 1452 C TYR B 51 -6.256 -5.502 72.304 1.00 24.64 C ATOM 1453 O TYR B 51 -7.372 -5.049 72.541 1.00 24.90 O ATOM 1454 CB TYR B 51 -5.752 -6.133 69.923 1.00 24.94 C ATOM 1455 CG TYR B 51 -5.289 -5.595 68.597 1.00 33.95 C ATOM 1456 CD1 TYR B 51 -5.689 -4.330 68.171 1.00 27.92 C ATOM 1457 CD2 TYR B 51 -4.415 -6.318 67.793 1.00 26.78 C ATOM 1458 CE1 TYR B 51 -5.252 -3.809 66.964 1.00 32.60 C ATOM 1459 CE2 TYR B 51 -3.971 -5.801 66.577 1.00 33.63 C ATOM 1460 CZ TYR B 51 -4.391 -4.546 66.173 1.00 40.45 C ATOM 1461 OH TYR B 51 -3.963 -4.023 64.970 1.00 69.90 O ATOM 1462 HH TYR B 51 -4.358 -3.124 64.843 1.00 0.00 H ATOM 1463 H TYR B 51 -3.406 -5.548 70.874 1.00 0.00 H ATOM 1464 N THR B 52 -5.625 -6.337 73.122 1.00 26.99 N ATOM 1465 CA THR B 52 -6.230 -6.717 74.391 1.00 27.27 C ATOM 1466 C THR B 52 -6.436 -5.467 75.258 1.00 21.91 C ATOM 1467 O THR B 52 -7.522 -5.228 75.760 1.00 26.03 O ATOM 1468 CB THR B 52 -5.375 -7.754 75.135 1.00 28.32 C ATOM 1469 OG1 THR B 52 -5.333 -8.970 74.374 1.00 34.37 O ATOM 1470 CG2 THR B 52 -5.956 -8.048 76.517 1.00 21.14 C ATOM 1471 HG1 THR B 52 -4.935 -8.788 73.486 1.00 0.00 H ATOM 1472 H THR B 52 -4.696 -6.721 72.855 1.00 0.00 H ATOM 1473 N ILE B 53 -5.399 -4.651 75.396 1.00 28.30 N ATOM 1474 CA ILE B 53 -5.460 -3.480 76.273 1.00 22.75 C ATOM 1475 C ILE B 53 -6.413 -2.423 75.733 1.00 25.48 C ATOM 1476 O ILE B 53 -7.183 -1.826 76.494 1.00 23.72 O ATOM 1477 CB ILE B 53 -4.046 -2.899 76.514 1.00 24.32 C ATOM 1478 CG1 ILE B 53 -3.188 -3.938 77.255 1.00 23.86 C ATOM 1479 CG2 ILE B 53 -4.106 -1.599 77.310 1.00 25.13 C ATOM 1480 CD1 ILE B 53 -1.742 -3.533 77.424 1.00 27.82 C ATOM 1481 H ILE B 53 -4.524 -4.847 74.870 1.00 0.00 H ATOM 1482 N PHE B 54 -6.372 -2.203 74.421 1.00 20.00 N ATOM 1483 CA PHE B 54 -7.257 -1.228 73.779 1.00 25.27 C ATOM 1484 C PHE B 54 -8.737 -1.645 73.778 1.00 25.07 C ATOM 1485 O PHE B 54 -9.634 -0.797 73.854 1.00 36.77 O ATOM 1486 CB PHE B 54 -6.779 -0.904 72.357 1.00 29.01 C ATOM 1487 CG PHE B 54 -5.503 -0.099 72.317 1.00 23.56 C ATOM 1488 CD1 PHE B 54 -4.959 0.413 73.485 1.00 26.84 C ATOM 1489 CD2 PHE B 54 -4.862 0.172 71.106 1.00 29.63 C ATOM 1490 CE1 PHE B 54 -3.784 1.177 73.457 1.00 35.85 C ATOM 1491 CE2 PHE B 54 -3.691 0.934 71.070 1.00 31.11 C ATOM 1492 CZ PHE B 54 -3.151 1.441 72.252 1.00 30.38 C ATOM 1493 H PHE B 54 -5.696 -2.736 73.838 1.00 0.00 H ATOM 1494 N LYS B 55 -9.011 -2.939 73.701 1.00 30.74 N ATOM 1495 CA LYS B 55 -10.397 -3.379 73.822 1.00 29.96 C ATOM 1496 C LYS B 55 -10.981 -2.984 75.181 1.00 26.64 C ATOM 1497 O LYS B 55 -12.121 -2.531 75.279 1.00 31.81 O ATOM 1498 CB LYS B 55 -10.517 -4.884 73.635 1.00 30.43 C ATOM 1499 CG LYS B 55 -11.932 -5.369 73.878 1.00 27.56 C ATOM 1500 CD LYS B 55 -12.288 -6.561 72.996 1.00 50.11 C ATOM 1501 CE LYS B 55 -13.740 -6.946 73.207 1.00 52.85 C ATOM 1502 NZ LYS B 55 -14.042 -7.038 74.670 1.00 55.81 N ATOM 1503 HZ1 LYS B 55 -13.431 -7.759 75.104 1.00 0.00 H ATOM 1504 HZ2 LYS B 55 -13.865 -6.116 75.118 1.00 0.00 H ATOM 1505 HZ3 LYS B 55 -15.039 -7.302 74.801 1.00 0.00 H ATOM 1506 H LYS B 55 -8.249 -3.632 73.556 1.00 0.00 H ATOM 1507 N ARG B 56 -10.182 -3.158 76.228 1.00 26.71 N ATOM 1508 CA ARG B 56 -10.595 -2.826 77.589 1.00 28.23 C ATOM 1509 C ARG B 56 -10.713 -1.307 77.828 1.00 33.94 C ATOM 1510 O ARG B 56 -11.669 -0.836 78.456 1.00 32.40 O ATOM 1511 CB ARG B 56 -9.626 -3.474 78.574 1.00 30.71 C ATOM 1512 CG ARG B 56 -9.753 -3.004 80.002 1.00 51.11 C ATOM 1513 CD ARG B 56 -10.997 -3.535 80.673 1.00 62.51 C ATOM 1514 NE ARG B 56 -11.018 -3.118 82.073 1.00 88.84 N ATOM 1515 CZ ARG B 56 -11.946 -3.473 82.955 1.00107.06 C ATOM 1516 NH1 ARG B 56 -12.944 -4.266 82.590 1.00114.42 N ATOM 1517 NH2 ARG B 56 -11.871 -3.033 84.206 1.00105.78 N ATOM 1518 HE ARG B 56 -10.251 -2.498 82.403 1.00 0.00 H ATOM 1519 HH12 ARG B 56 -13.669 -4.542 83.283 1.00 0.00 H ATOM 1520 HH11 ARG B 56 -13.002 -4.612 81.611 1.00 0.00 H ATOM 1521 HH22 ARG B 56 -12.596 -3.309 84.899 1.00 0.00 H ATOM 1522 HH21 ARG B 56 -11.087 -2.412 84.493 1.00 0.00 H ATOM 1523 H ARG B 56 -9.229 -3.544 76.073 1.00 0.00 H ATOM 1524 N LEU B 57 -9.756 -0.540 77.310 1.00 18.50 N ATOM 1525 CA LEU B 57 -9.788 0.917 77.479 1.00 22.17 C ATOM 1526 C LEU B 57 -10.959 1.561 76.750 1.00 23.62 C ATOM 1527 O LEU B 57 -11.502 2.560 77.218 1.00 23.22 O ATOM 1528 CB LEU B 57 -8.481 1.566 77.022 1.00 16.82 C ATOM 1529 CG LEU B 57 -7.231 1.257 77.853 1.00 22.75 C ATOM 1530 CD1 LEU B 57 -5.993 1.900 77.229 1.00 28.26 C ATOM 1531 CD2 LEU B 57 -7.417 1.727 79.298 1.00 18.60 C ATOM 1532 H LEU B 57 -8.977 -0.979 76.779 1.00 0.00 H ATOM 1533 N GLU B 58 -11.332 1.002 75.600 1.00 26.73 N ATOM 1534 CA GLU B 58 -12.425 1.550 74.796 1.00 30.85 C ATOM 1535 C GLU B 58 -13.739 1.326 75.527 1.00 26.55 C ATOM 1536 O GLU B 58 -14.549 2.239 75.690 1.00 29.92 O ATOM 1537 CB GLU B 58 -12.483 0.875 73.410 1.00 22.03 C ATOM 1538 CG GLU B 58 -11.614 1.532 72.349 1.00 40.71 C ATOM 1539 CD GLU B 58 -11.902 1.012 70.938 1.00 56.25 C ATOM 1540 OE1 GLU B 58 -11.329 -0.042 70.562 1.00 58.56 O ATOM 1541 OE2 GLU B 58 -12.699 1.658 70.213 1.00 46.61 O ATOM 1542 H GLU B 58 -10.833 0.153 75.265 1.00 0.00 H ATOM 1543 N LYS B 59 -13.933 0.087 75.958 1.00 21.07 N ATOM 1544 CA LYS B 59 -15.099 -0.306 76.735 1.00 37.38 C ATOM 1545 C LYS B 59 -15.319 0.625 77.941 1.00 30.13 C ATOM 1546 O LYS B 59 -16.449 1.013 78.237 1.00 34.41 O ATOM 1547 CB LYS B 59 -14.928 -1.759 77.179 1.00 34.90 C ATOM 1548 CG LYS B 59 -15.518 -2.098 78.533 1.00 58.50 C ATOM 1549 CD LYS B 59 -15.614 -3.619 78.692 1.00 69.56 C ATOM 1550 CE LYS B 59 -15.684 -4.030 80.151 1.00 76.10 C ATOM 1551 NZ LYS B 59 -14.546 -4.937 80.503 1.00 74.17 N ATOM 1552 HZ1 LYS B 59 -14.589 -5.791 79.911 1.00 0.00 H ATOM 1553 HZ2 LYS B 59 -13.646 -4.443 80.336 1.00 0.00 H ATOM 1554 HZ3 LYS B 59 -14.615 -5.205 81.506 1.00 0.00 H ATOM 1555 H LYS B 59 -13.220 -0.636 75.731 1.00 0.00 H ATOM 1556 N ASP B 60 -14.229 0.999 78.607 1.00 27.79 N ATOM 1557 CA ASP B 60 -14.291 1.835 79.800 1.00 24.95 C ATOM 1558 C ASP B 60 -14.299 3.321 79.480 1.00 27.40 C ATOM 1559 O ASP B 60 -14.259 4.144 80.386 1.00 33.29 O ATOM 1560 CB ASP B 60 -13.133 1.505 80.755 1.00 26.09 C ATOM 1561 CG ASP B 60 -13.275 0.115 81.402 1.00 41.58 C ATOM 1562 OD1 ASP B 60 -14.379 -0.487 81.356 1.00 44.83 O ATOM 1563 OD2 ASP B 60 -12.273 -0.372 81.971 1.00 41.75 O ATOM 1564 H ASP B 60 -13.299 0.683 78.264 1.00 0.00 H ATOM 1565 N GLY B 61 -14.333 3.658 78.193 1.00 25.62 N ATOM 1566 CA GLY B 61 -14.464 5.039 77.773 1.00 26.95 C ATOM 1567 C GLY B 61 -13.182 5.847 77.862 1.00 33.81 C ATOM 1568 O GLY B 61 -13.187 7.050 77.608 1.00 31.92 O ATOM 1569 H GLY B 61 -14.264 2.912 77.471 1.00 0.00 H ATOM 1570 N ILE B 62 -12.080 5.192 78.216 1.00 30.03 N ATOM 1571 CA ILE B 62 -10.803 5.889 78.387 1.00 17.03 C ATOM 1572 C ILE B 62 -10.175 6.255 77.043 1.00 18.10 C ATOM 1573 O ILE B 62 -9.517 7.292 76.925 1.00 25.03 O ATOM 1574 CB ILE B 62 -9.791 5.069 79.193 1.00 18.62 C ATOM 1575 CG1 ILE B 62 -10.345 4.716 80.581 1.00 34.33 C ATOM 1576 CG2 ILE B 62 -8.493 5.817 79.310 1.00 24.50 C ATOM 1577 CD1 ILE B 62 -11.016 5.878 81.285 1.00 43.08 C ATOM 1578 H ILE B 62 -12.126 4.165 78.374 1.00 0.00 H ATOM 1579 N ILE B 63 -10.391 5.425 76.021 1.00 25.16 N ATOM 1580 CA ILE B 63 -9.969 5.794 74.673 1.00 17.56 C ATOM 1581 C ILE B 63 -11.105 5.573 73.698 1.00 23.73 C ATOM 1582 O ILE B 63 -12.092 4.939 74.052 1.00 26.96 O ATOM 1583 CB ILE B 63 -8.693 5.033 74.200 1.00 20.12 C ATOM 1584 CG1 ILE B 63 -9.000 3.566 73.892 1.00 21.65 C ATOM 1585 CG2 ILE B 63 -7.559 5.179 75.233 1.00 16.55 C ATOM 1586 CD1 ILE B 63 -7.753 2.729 73.526 1.00 20.94 C ATOM 1587 H ILE B 63 -10.862 4.512 76.185 1.00 0.00 H ATOM 1588 N SER B 64 -10.968 6.109 72.480 1.00 24.94 N ATOM 1589 CA SER B 64 -11.862 5.770 71.367 1.00 24.00 C ATOM 1590 C SER B 64 -11.042 5.565 70.083 1.00 26.41 C ATOM 1591 O SER B 64 -9.854 5.876 70.058 1.00 24.08 O ATOM 1592 CB SER B 64 -12.947 6.840 71.157 1.00 22.38 C ATOM 1593 OG SER B 64 -12.459 7.925 70.390 1.00 40.28 O ATOM 1594 HG SER B 64 -12.166 7.596 69.504 1.00 0.00 H ATOM 1595 H SER B 64 -10.200 6.791 72.316 1.00 0.00 H ATOM 1596 N SER B 65 -11.674 5.060 69.020 1.00 27.27 N ATOM 1597 CA SER B 65 -10.949 4.770 67.786 1.00 17.97 C ATOM 1598 C SER B 65 -11.634 5.296 66.538 1.00 27.23 C ATOM 1599 O SER B 65 -12.842 5.547 66.517 1.00 25.62 O ATOM 1600 CB SER B 65 -10.706 3.268 67.638 1.00 26.71 C ATOM 1601 OG SER B 65 -11.929 2.560 67.536 1.00 25.42 O ATOM 1602 HG SER B 65 -12.468 2.715 68.352 1.00 0.00 H ATOM 1603 H SER B 65 -12.695 4.871 69.072 1.00 0.00 H ATOM 1604 N TYR B 66 -10.851 5.465 65.483 1.00 18.40 N ATOM 1605 CA TYR B 66 -11.416 5.872 64.199 1.00 22.79 C ATOM 1606 C TYR B 66 -10.440 5.546 63.074 1.00 24.34 C ATOM 1607 O TYR B 66 -9.258 5.278 63.323 1.00 22.62 O ATOM 1608 CB TYR B 66 -11.747 7.379 64.204 1.00 21.06 C ATOM 1609 CG TYR B 66 -10.530 8.234 64.451 1.00 23.47 C ATOM 1610 CD1 TYR B 66 -10.061 8.440 65.745 1.00 20.67 C ATOM 1611 CD2 TYR B 66 -9.823 8.800 63.396 1.00 21.87 C ATOM 1612 CE1 TYR B 66 -8.927 9.208 65.987 1.00 22.32 C ATOM 1613 CE2 TYR B 66 -8.689 9.583 63.624 1.00 19.30 C ATOM 1614 CZ TYR B 66 -8.247 9.784 64.918 1.00 37.28 C ATOM 1615 OH TYR B 66 -7.116 10.553 65.156 1.00 18.09 O ATOM 1616 HH TYR B 66 -6.944 10.592 66.130 1.00 0.00 H ATOM 1617 H TYR B 66 -9.827 5.307 65.570 1.00 0.00 H ATOM 1618 N TRP B 67 -10.943 5.587 61.843 1.00 27.89 N ATOM 1619 CA TRP B 67 -10.170 5.238 60.654 1.00 25.32 C ATOM 1620 C TRP B 67 -9.454 6.448 60.031 1.00 32.10 C ATOM 1621 O TRP B 67 -10.020 7.549 59.978 1.00 29.66 O ATOM 1622 CB TRP B 67 -11.106 4.617 59.592 1.00 25.24 C ATOM 1623 CG TRP B 67 -11.852 3.394 60.089 1.00 52.73 C ATOM 1624 CD1 TRP B 67 -13.197 3.296 60.338 1.00 55.20 C ATOM 1625 CD2 TRP B 67 -11.293 2.102 60.405 1.00 47.91 C ATOM 1626 NE1 TRP B 67 -13.507 2.027 60.777 1.00 56.67 N ATOM 1627 CE2 TRP B 67 -12.360 1.277 60.834 1.00 50.52 C ATOM 1628 CE3 TRP B 67 -10.000 1.562 60.360 1.00 36.30 C ATOM 1629 CZ2 TRP B 67 -12.169 -0.058 61.217 1.00 44.83 C ATOM 1630 CZ3 TRP B 67 -9.812 0.239 60.743 1.00 35.34 C ATOM 1631 CH2 TRP B 67 -10.891 -0.554 61.164 1.00 42.01 C ATOM 1632 HE1 TRP B 67 -14.459 1.691 61.026 1.00 0.00 H ATOM 1633 H TRP B 67 -11.933 5.881 61.722 1.00 0.00 H ATOM 1634 N GLY B 68 -8.229 6.235 59.539 1.00 36.15 N ATOM 1635 CA GLY B 68 -7.541 7.209 58.694 1.00 50.15 C ATOM 1636 C GLY B 68 -8.085 7.235 57.261 1.00 66.56 C ATOM 1637 O GLY B 68 -9.004 6.479 56.919 1.00 62.91 O ATOM 1638 H GLY B 68 -7.747 5.342 59.766 1.00 0.00 H ATOM 1639 N ASP B 69 -7.524 8.099 56.415 1.00 81.74 N ATOM 1640 CA ASP B 69 -8.020 8.261 55.047 1.00 88.10 C ATOM 1641 C ASP B 69 -7.124 7.579 54.022 1.00 85.68 C ATOM 1642 O ASP B 69 -7.612 6.927 53.095 1.00 87.35 O ATOM 1643 CB ASP B 69 -8.198 9.746 54.697 1.00 95.34 C ATOM 1644 CG ASP B 69 -9.656 10.189 54.741 1.00101.27 C ATOM 1645 OD1 ASP B 69 -10.548 9.312 54.761 1.00103.71 O ATOM 1646 OD2 ASP B 69 -9.912 11.412 54.743 1.00100.21 O ATOM 1647 H ASP B 69 -6.716 8.671 56.734 1.00 0.00 H TER 1648 ASP B 69 ATOM 1649 N ARG B 76 -6.791 1.846 58.173 1.00 43.30 N ATOM 1650 CA ARG B 76 -5.881 1.987 59.318 1.00 52.24 C ATOM 1651 C ARG B 76 -6.514 2.640 60.561 1.00 49.72 C ATOM 1652 O ARG B 76 -7.052 3.751 60.488 1.00 44.51 O ATOM 1653 CB ARG B 76 -4.639 2.771 58.930 1.00 47.23 C ATOM 1654 CG ARG B 76 -3.784 3.097 60.128 1.00 39.83 C ATOM 1655 CD ARG B 76 -2.401 3.517 59.716 1.00 51.55 C ATOM 1656 NE ARG B 76 -1.721 2.479 58.949 1.00 67.88 N ATOM 1657 CZ ARG B 76 -0.452 2.555 58.560 1.00 83.54 C ATOM 1658 NH1 ARG B 76 0.268 3.624 58.876 1.00 80.38 N ATOM 1659 NH2 ARG B 76 0.095 1.568 57.856 1.00 90.58 N ATOM 1660 HE ARG B 76 -2.261 1.629 58.691 1.00 0.00 H ATOM 1661 HH12 ARG B 76 1.261 3.690 58.575 1.00 0.00 H ATOM 1662 HH11 ARG B 76 -0.161 4.396 59.425 1.00 0.00 H ATOM 1663 HH22 ARG B 76 1.088 1.633 57.554 1.00 0.00 H ATOM 1664 HH21 ARG B 76 -0.470 0.731 57.607 1.00 0.00 H ATOM 1665 HN3 ARG B 76 -7.129 2.786 57.883 1.00 0.00 H ATOM 1666 HN2 ARG B 76 -7.601 1.254 58.447 1.00 0.00 H ATOM 1667 HN1 ARG B 76 -6.285 1.399 57.382 1.00 0.00 H ATOM 1668 N LYS B 77 -6.418 1.964 61.706 1.00 36.23 N ATOM 1669 CA LYS B 77 -7.189 2.352 62.894 1.00 33.05 C ATOM 1670 C LYS B 77 -6.406 3.268 63.847 1.00 30.99 C ATOM 1671 O LYS B 77 -5.350 2.888 64.380 1.00 23.55 O ATOM 1672 CB LYS B 77 -7.692 1.100 63.640 1.00 36.35 C ATOM 1673 CG LYS B 77 -8.682 1.375 64.782 1.00 36.03 C ATOM 1674 CD LYS B 77 -9.899 0.426 64.711 1.00 39.99 C ATOM 1675 CE LYS B 77 -10.152 -0.301 66.036 1.00 42.36 C ATOM 1676 NZ LYS B 77 -11.460 -1.046 66.054 1.00 56.19 N ATOM 1677 HZ1 LYS B 77 -12.241 -0.376 65.905 1.00 0.00 H ATOM 1678 HZ2 LYS B 77 -11.463 -1.758 65.296 1.00 0.00 H ATOM 1679 HZ3 LYS B 77 -11.576 -1.517 66.974 1.00 0.00 H ATOM 1680 H LYS B 77 -5.782 1.143 61.759 1.00 0.00 H ATOM 1681 N TYR B 78 -6.930 4.474 64.060 1.00 29.72 N ATOM 1682 CA TYR B 78 -6.331 5.410 65.014 1.00 31.99 C ATOM 1683 C TYR B 78 -7.025 5.397 66.364 1.00 23.29 C ATOM 1684 O TYR B 78 -8.256 5.256 66.458 1.00 27.03 O ATOM 1685 CB TYR B 78 -6.287 6.836 64.450 1.00 27.46 C ATOM 1686 CG TYR B 78 -5.147 7.007 63.489 1.00 33.21 C ATOM 1687 CD1 TYR B 78 -3.931 7.533 63.908 1.00 22.03 C ATOM 1688 CD2 TYR B 78 -5.267 6.592 62.170 1.00 44.49 C ATOM 1689 CE1 TYR B 78 -2.869 7.664 63.013 1.00 45.59 C ATOM 1690 CE2 TYR B 78 -4.222 6.716 61.275 1.00 42.46 C ATOM 1691 CZ TYR B 78 -3.029 7.247 61.692 1.00 50.73 C ATOM 1692 OH TYR B 78 -2.008 7.360 60.770 1.00 66.26 O ATOM 1693 HH TYR B 78 -1.213 7.756 61.207 1.00 0.00 H ATOM 1694 H TYR B 78 -7.783 4.757 63.537 1.00 0.00 H ATOM 1695 N TYR B 79 -6.221 5.566 67.406 1.00 22.22 N ATOM 1696 CA TYR B 79 -6.725 5.611 68.766 1.00 22.14 C ATOM 1697 C TYR B 79 -6.511 7.005 69.373 1.00 31.13 C ATOM 1698 O TYR B 79 -5.570 7.739 69.015 1.00 25.00 O ATOM 1699 CB TYR B 79 -6.071 4.512 69.612 1.00 23.85 C ATOM 1700 CG TYR B 79 -6.498 3.117 69.203 1.00 25.14 C ATOM 1701 CD1 TYR B 79 -7.650 2.551 69.728 1.00 21.11 C ATOM 1702 CD2 TYR B 79 -5.758 2.370 68.284 1.00 33.47 C ATOM 1703 CE1 TYR B 79 -8.062 1.273 69.364 1.00 21.97 C ATOM 1704 CE2 TYR B 79 -6.167 1.079 67.906 1.00 41.70 C ATOM 1705 CZ TYR B 79 -7.318 0.541 68.455 1.00 34.50 C ATOM 1706 OH TYR B 79 -7.738 -0.727 68.107 1.00 43.71 O ATOM 1707 HH TYR B 79 -8.572 -0.942 68.594 1.00 0.00 H ATOM 1708 H TYR B 79 -5.199 5.669 67.243 1.00 0.00 H ATOM 1709 N ARG B 80 -7.383 7.343 70.313 1.00 28.63 N ATOM 1710 CA ARG B 80 -7.507 8.691 70.824 1.00 30.39 C ATOM 1711 C ARG B 80 -7.781 8.614 72.320 1.00 23.42 C ATOM 1712 O ARG B 80 -8.586 7.792 72.756 1.00 27.02 O ATOM 1713 CB ARG B 80 -8.710 9.332 70.143 1.00 23.45 C ATOM 1714 CG ARG B 80 -8.753 10.826 70.193 1.00 43.91 C ATOM 1715 CD ARG B 80 -10.046 11.266 69.546 1.00 40.29 C ATOM 1716 NE ARG B 80 -11.150 10.682 70.279 1.00 43.68 N ATOM 1717 CZ ARG B 80 -11.795 11.295 71.269 1.00 40.20 C ATOM 1718 NH1 ARG B 80 -11.456 12.531 71.615 1.00 18.57 N ATOM 1719 NH2 ARG B 80 -12.789 10.672 71.898 1.00 32.93 N ATOM 1720 HE ARG B 80 -11.458 9.724 70.016 1.00 0.00 H ATOM 1721 HH12 ARG B 80 -11.959 13.011 72.388 1.00 0.00 H ATOM 1722 HH11 ARG B 80 -10.687 13.019 71.113 1.00 0.00 H ATOM 1723 HH22 ARG B 80 -13.295 11.149 72.672 1.00 0.00 H ATOM 1724 HH21 ARG B 80 -13.060 9.708 71.616 1.00 0.00 H ATOM 1725 H ARG B 80 -8.006 6.606 70.701 1.00 0.00 H ATOM 1726 N LEU B 81 -7.125 9.463 73.101 1.00 27.04 N ATOM 1727 CA LEU B 81 -7.461 9.598 74.517 1.00 33.97 C ATOM 1728 C LEU B 81 -8.776 10.398 74.623 1.00 27.99 C ATOM 1729 O LEU B 81 -8.886 11.492 74.051 1.00 37.02 O ATOM 1730 CB LEU B 81 -6.331 10.332 75.230 1.00 25.30 C ATOM 1731 CG LEU B 81 -5.899 9.980 76.650 1.00 34.84 C ATOM 1732 CD1 LEU B 81 -5.945 8.497 76.933 1.00 30.96 C ATOM 1733 CD2 LEU B 81 -4.501 10.508 76.890 1.00 32.65 C ATOM 1734 H LEU B 81 -6.360 10.041 72.699 1.00 0.00 H ATOM 1735 N THR B 82 -9.787 9.862 75.311 1.00 25.98 N ATOM 1736 CA THR B 82 -11.029 10.632 75.523 1.00 34.39 C ATOM 1737 C THR B 82 -10.878 11.718 76.598 1.00 30.73 C ATOM 1738 O THR B 82 -9.849 11.807 77.278 1.00 33.33 O ATOM 1739 CB THR B 82 -12.239 9.729 75.867 1.00 25.98 C ATOM 1740 OG1 THR B 82 -11.991 9.057 77.104 1.00 28.55 O ATOM 1741 CG2 THR B 82 -12.467 8.703 74.777 1.00 18.00 C ATOM 1742 HG1 THR B 82 -12.764 8.479 77.325 1.00 0.00 H ATOM 1743 H THR B 82 -9.700 8.901 75.698 1.00 0.00 H ATOM 1744 N GLU B 83 -11.919 12.527 76.756 1.00 27.62 N ATOM 1745 CA GLU B 83 -11.960 13.535 77.810 1.00 43.30 C ATOM 1746 C GLU B 83 -11.797 12.885 79.177 1.00 44.20 C ATOM 1747 O GLU B 83 -11.019 13.348 80.019 1.00 41.06 O ATOM 1748 CB GLU B 83 -13.295 14.273 77.770 1.00 72.12 C ATOM 1749 CG GLU B 83 -13.210 15.718 77.327 1.00 90.17 C ATOM 1750 CD GLU B 83 -14.570 16.394 77.312 1.00101.29 C ATOM 1751 OE1 GLU B 83 -15.568 15.732 77.675 1.00106.96 O ATOM 1752 OE2 GLU B 83 -14.642 17.582 76.935 1.00103.06 O ATOM 1753 H GLU B 83 -12.729 12.440 76.109 1.00 0.00 H ATOM 1754 N ILE B 84 -12.559 11.822 79.398 1.00 40.91 N ATOM 1755 CA ILE B 84 -12.463 11.056 80.630 1.00 39.01 C ATOM 1756 C ILE B 84 -11.031 10.581 80.782 1.00 39.41 C ATOM 1757 O ILE B 84 -10.427 10.729 81.853 1.00 35.11 O ATOM 1758 CB ILE B 84 -13.403 9.833 80.580 1.00 55.20 C ATOM 1759 CG1 ILE B 84 -14.854 10.278 80.785 1.00 66.21 C ATOM 1760 CG2 ILE B 84 -13.014 8.803 81.627 1.00 62.15 C ATOM 1761 CD1 ILE B 84 -15.868 9.387 80.091 1.00 62.64 C ATOM 1762 H ILE B 84 -13.243 11.529 78.671 1.00 0.00 H ATOM 1763 N GLY B 85 -10.506 10.001 79.699 1.00 29.27 N ATOM 1764 CA GLY B 85 -9.146 9.490 79.646 1.00 28.21 C ATOM 1765 C GLY B 85 -8.094 10.491 80.105 1.00 32.85 C ATOM 1766 O GLY B 85 -7.237 10.162 80.926 1.00 34.56 O ATOM 1767 H GLY B 85 -11.101 9.910 78.851 1.00 0.00 H ATOM 1768 N HIS B 86 -8.143 11.711 79.578 1.00 32.31 N ATOM 1769 CA HIS B 86 -7.218 12.757 80.026 1.00 31.08 C ATOM 1770 C HIS B 86 -7.331 13.057 81.522 1.00 36.61 C ATOM 1771 O HIS B 86 -6.321 13.226 82.208 1.00 35.32 O ATOM 1772 CB HIS B 86 -7.423 14.046 79.237 1.00 29.79 C ATOM 1773 CG HIS B 86 -6.885 13.986 77.846 1.00 40.79 C ATOM 1774 ND1 HIS B 86 -5.534 14.030 77.565 1.00 46.41 N ATOM 1775 CD2 HIS B 86 -7.511 13.876 76.647 1.00 37.29 C ATOM 1776 CE1 HIS B 86 -5.354 13.949 76.259 1.00 46.08 C ATOM 1777 NE2 HIS B 86 -6.536 13.857 75.680 1.00 46.75 N ATOM 1778 H HIS B 86 -8.844 11.925 78.841 1.00 0.00 H ATOM 1779 N GLU B 87 -8.560 13.152 82.023 1.00 32.44 N ATOM 1780 CA GLU B 87 -8.766 13.549 83.408 1.00 39.41 C ATOM 1781 C GLU B 87 -8.336 12.425 84.332 1.00 42.73 C ATOM 1782 O GLU B 87 -7.727 12.667 85.374 1.00 48.76 O ATOM 1783 CB GLU B 87 -10.219 13.960 83.670 1.00 45.87 C ATOM 1784 CG GLU B 87 -10.422 14.724 84.983 1.00 47.86 C ATOM 1785 CD GLU B 87 -9.449 15.882 85.165 1.00 65.19 C ATOM 1786 OE1 GLU B 87 -9.115 16.566 84.172 1.00 77.74 O ATOM 1787 OE2 GLU B 87 -9.017 16.110 86.315 1.00 75.00 O ATOM 1788 H GLU B 87 -9.380 12.941 81.420 1.00 0.00 H ATOM 1789 N ASN B 88 -8.637 11.193 83.945 1.00 39.15 N ATOM 1790 CA ASN B 88 -8.164 10.050 84.706 1.00 40.77 C ATOM 1791 C ASN B 88 -6.640 9.991 84.770 1.00 42.50 C ATOM 1792 O ASN B 88 -6.070 9.655 85.807 1.00 39.49 O ATOM 1793 CB ASN B 88 -8.752 8.748 84.159 1.00 46.10 C ATOM 1794 CG ASN B 88 -10.155 8.490 84.674 1.00 59.17 C ATOM 1795 OD1 ASN B 88 -10.839 9.409 85.139 1.00 58.77 O ATOM 1796 ND2 ASN B 88 -10.591 7.236 84.603 1.00 65.24 N ATOM 1797 HD22 ASN B 88 -9.980 6.495 84.204 1.00 0.00 H ATOM 1798 HD21 ASN B 88 -11.543 6.996 84.947 1.00 0.00 H ATOM 1799 H ASN B 88 -9.214 11.045 83.093 1.00 0.00 H ATOM 1800 N MET B 89 -5.982 10.329 83.668 1.00 37.53 N ATOM 1801 CA MET B 89 -4.527 10.341 83.658 1.00 47.07 C ATOM 1802 C MET B 89 -4.000 11.390 84.624 1.00 45.02 C ATOM 1803 O MET B 89 -3.034 11.135 85.348 1.00 38.75 O ATOM 1804 CB MET B 89 -3.973 10.602 82.246 1.00 38.53 C ATOM 1805 CG MET B 89 -3.939 9.395 81.346 1.00 39.64 C ATOM 1806 SD MET B 89 -2.830 9.666 79.942 1.00 43.67 S ATOM 1807 CE MET B 89 -1.251 9.140 80.630 1.00 43.30 C ATOM 1808 H MET B 89 -6.508 10.586 82.809 1.00 0.00 H ATOM 1809 N ARG B 90 -4.625 12.570 84.617 1.00 37.70 N ATOM 1810 CA ARG B 90 -4.182 13.697 85.453 1.00 39.11 C ATOM 1811 C ARG B 90 -4.298 13.339 86.944 1.00 45.86 C ATOM 1812 O ARG B 90 -3.348 13.523 87.717 1.00 43.41 O ATOM 1813 CB ARG B 90 -4.986 14.961 85.124 1.00 38.66 C ATOM 1814 CG ARG B 90 -4.444 16.265 85.707 1.00 48.52 C ATOM 1815 CD ARG B 90 -5.538 17.324 85.756 1.00 64.22 C ATOM 1816 NE ARG B 90 -6.674 16.879 86.562 1.00 69.61 N ATOM 1817 CZ ARG B 90 -6.827 17.151 87.854 1.00 67.74 C ATOM 1818 NH1 ARG B 90 -5.922 17.881 88.495 1.00 69.40 N ATOM 1819 NH2 ARG B 90 -7.891 16.697 88.504 1.00 58.61 N ATOM 1820 HE ARG B 90 -7.410 16.313 86.094 1.00 0.00 H ATOM 1821 HH12 ARG B 90 -6.045 18.092 89.506 1.00 0.00 H ATOM 1822 HH11 ARG B 90 -5.090 18.242 87.986 1.00 0.00 H ATOM 1823 HH22 ARG B 90 -8.012 16.909 89.515 1.00 0.00 H ATOM 1824 HH21 ARG B 90 -8.604 16.129 88.003 1.00 0.00 H ATOM 1825 H ARG B 90 -5.453 12.697 84.000 1.00 0.00 H ATOM 1826 N LEU B 91 -5.463 12.815 87.328 1.00 35.27 N ATOM 1827 CA LEU B 91 -5.722 12.343 88.688 1.00 41.52 C ATOM 1828 C LEU B 91 -4.703 11.283 89.138 1.00 46.62 C ATOM 1829 O LEU B 91 -4.244 11.295 90.286 1.00 43.40 O ATOM 1830 CB LEU B 91 -7.149 11.765 88.780 1.00 42.03 C ATOM 1831 CG LEU B 91 -8.312 12.719 89.066 1.00 60.94 C ATOM 1832 CD1 LEU B 91 -9.638 12.088 88.658 1.00 62.27 C ATOM 1833 CD2 LEU B 91 -8.335 13.110 90.544 1.00 76.10 C ATOM 1834 H LEU B 91 -6.226 12.738 86.625 1.00 0.00 H ATOM 1835 N ALA B 92 -4.359 10.374 88.224 1.00 42.72 N ATOM 1836 CA ALA B 92 -3.416 9.285 88.493 1.00 37.28 C ATOM 1837 C ALA B 92 -1.998 9.803 88.708 1.00 36.38 C ATOM 1838 O ALA B 92 -1.292 9.343 89.609 1.00 35.68 O ATOM 1839 CB ALA B 92 -3.431 8.275 87.352 1.00 34.26 C ATOM 1840 H ALA B 92 -4.780 10.441 87.275 1.00 0.00 H ATOM 1841 N PHE B 93 -1.596 10.755 87.871 1.00 24.05 N ATOM 1842 CA PHE B 93 -0.269 11.345 87.931 1.00 42.96 C ATOM 1843 C PHE B 93 -0.085 12.175 89.193 1.00 46.49 C ATOM 1844 O PHE B 93 1.003 12.202 89.788 1.00 53.75 O ATOM 1845 CB PHE B 93 -0.036 12.239 86.706 1.00 33.79 C ATOM 1846 CG PHE B 93 1.356 12.782 86.620 1.00 42.27 C ATOM 1847 CD1 PHE B 93 2.397 11.981 86.158 1.00 52.91 C ATOM 1848 CD2 PHE B 93 1.640 14.082 87.030 1.00 40.81 C ATOM 1849 CE1 PHE B 93 3.696 12.469 86.089 1.00 65.71 C ATOM 1850 CE2 PHE B 93 2.946 14.586 86.960 1.00 40.02 C ATOM 1851 CZ PHE B 93 3.974 13.777 86.486 1.00 60.16 C ATOM 1852 H PHE B 93 -2.259 11.091 87.143 1.00 0.00 H ATOM 1853 N GLU B 94 -1.151 12.876 89.564 1.00 43.52 N ATOM 1854 CA GLU B 94 -1.176 13.694 90.763 1.00 47.00 C ATOM 1855 C GLU B 94 -1.002 12.849 92.033 1.00 43.85 C ATOM 1856 O GLU B 94 -0.134 13.123 92.866 1.00 43.20 O ATOM 1857 CB GLU B 94 -2.491 14.471 90.840 1.00 54.49 C ATOM 1858 CG GLU B 94 -2.578 15.685 89.925 1.00 71.10 C ATOM 1859 CD GLU B 94 -3.639 16.665 90.391 1.00 90.58 C ATOM 1860 OE1 GLU B 94 -4.233 16.412 91.465 1.00100.51 O ATOM 1861 OE2 GLU B 94 -3.876 17.683 89.699 1.00 88.16 O ATOM 1862 H GLU B 94 -2.004 12.837 88.970 1.00 0.00 H ATOM 1863 N SER B 95 -1.837 11.827 92.181 1.00 39.93 N ATOM 1864 CA SER B 95 -1.791 11.007 93.381 1.00 34.23 C ATOM 1865 C SER B 95 -0.507 10.178 93.441 1.00 44.82 C ATOM 1866 O SER B 95 0.115 10.112 94.498 1.00 42.58 O ATOM 1867 CB SER B 95 -3.049 10.151 93.542 1.00 25.86 C ATOM 1868 OG SER B 95 -3.134 9.151 92.546 1.00 42.74 O ATOM 1869 HG SER B 95 -3.160 9.578 91.653 1.00 0.00 H ATOM 1870 H SER B 95 -2.528 11.612 91.434 1.00 0.00 H ATOM 1871 N TRP B 96 -0.083 9.572 92.327 1.00 32.93 N ATOM 1872 CA TRP B 96 1.190 8.844 92.356 1.00 33.18 C ATOM 1873 C TRP B 96 2.381 9.742 92.682 1.00 31.60 C ATOM 1874 O TRP B 96 3.377 9.283 93.242 1.00 35.69 O ATOM 1875 CB TRP B 96 1.451 8.033 91.083 1.00 26.55 C ATOM 1876 CG TRP B 96 0.719 6.720 91.072 1.00 34.09 C ATOM 1877 CD1 TRP B 96 -0.383 6.410 90.335 1.00 30.90 C ATOM 1878 CD2 TRP B 96 1.032 5.546 91.838 1.00 35.57 C ATOM 1879 NE1 TRP B 96 -0.775 5.117 90.584 1.00 34.51 N ATOM 1880 CE2 TRP B 96 0.075 4.563 91.505 1.00 36.60 C ATOM 1881 CE3 TRP B 96 2.024 5.231 92.769 1.00 34.03 C ATOM 1882 CZ2 TRP B 96 0.071 3.288 92.080 1.00 38.15 C ATOM 1883 CZ3 TRP B 96 2.025 3.958 93.336 1.00 30.53 C ATOM 1884 CH2 TRP B 96 1.057 3.003 92.985 1.00 34.45 C ATOM 1885 HE1 TRP B 96 -1.586 4.636 90.145 1.00 0.00 H ATOM 1886 H TRP B 96 -0.647 9.616 91.454 1.00 0.00 H ATOM 1887 N SER B 97 2.282 11.015 92.323 1.00 32.02 N ATOM 1888 CA SER B 97 3.321 11.979 92.670 1.00 36.53 C ATOM 1889 C SER B 97 3.326 12.298 94.179 1.00 40.35 C ATOM 1890 O SER B 97 4.387 12.515 94.766 1.00 45.69 O ATOM 1891 CB SER B 97 3.202 13.240 91.809 1.00 41.89 C ATOM 1892 OG SER B 97 3.546 14.398 92.547 1.00 59.80 O ATOM 1893 HG SER B 97 3.460 15.195 91.967 1.00 0.00 H ATOM 1894 H SER B 97 1.450 11.331 91.785 1.00 0.00 H ATOM 1895 N ARG B 98 2.149 12.308 94.804 1.00 41.27 N ATOM 1896 CA ARG B 98 2.059 12.414 96.261 1.00 47.59 C ATOM 1897 C ARG B 98 2.736 11.212 96.922 1.00 47.50 C ATOM 1898 O ARG B 98 3.509 11.348 97.881 1.00 46.13 O ATOM 1899 CB ARG B 98 0.596 12.489 96.705 1.00 55.83 C ATOM 1900 CG ARG B 98 0.141 13.880 97.133 1.00 72.45 C ATOM 1901 CD ARG B 98 -1.349 13.902 97.442 1.00 78.24 C ATOM 1902 NE ARG B 98 -2.155 13.455 96.303 1.00 79.13 N ATOM 1903 CZ ARG B 98 -2.651 14.264 95.369 1.00 76.45 C ATOM 1904 NH1 ARG B 98 -2.431 15.574 95.423 1.00 76.04 N ATOM 1905 NH2 ARG B 98 -3.374 13.759 94.382 1.00 76.44 N ATOM 1906 HE ARG B 98 -2.353 12.438 96.218 1.00 0.00 H ATOM 1907 HH12 ARG B 98 -2.823 16.198 94.689 1.00 0.00 H ATOM 1908 HH11 ARG B 98 -1.867 15.975 96.199 1.00 0.00 H ATOM 1909 HH22 ARG B 98 -3.764 14.386 93.650 1.00 0.00 H ATOM 1910 HH21 ARG B 98 -3.552 12.735 94.339 1.00 0.00 H ATOM 1911 H ARG B 98 1.275 12.239 94.244 1.00 0.00 H ATOM 1912 N VAL B 99 2.425 10.034 96.389 1.00 36.95 N ATOM 1913 CA VAL B 99 2.991 8.778 96.852 1.00 36.05 C ATOM 1914 C VAL B 99 4.524 8.834 96.802 1.00 39.77 C ATOM 1915 O VAL B 99 5.204 8.401 97.738 1.00 36.77 O ATOM 1916 CB VAL B 99 2.431 7.594 96.016 1.00 36.97 C ATOM 1917 CG1 VAL B 99 3.303 6.334 96.149 1.00 21.09 C ATOM 1918 CG2 VAL B 99 0.964 7.308 96.403 1.00 27.12 C ATOM 1919 H VAL B 99 1.744 10.010 95.603 1.00 0.00 H ATOM 1920 N ASP B 100 5.060 9.398 95.723 1.00 31.26 N ATOM 1921 CA ASP B 100 6.502 9.448 95.517 1.00 33.74 C ATOM 1922 C ASP B 100 7.170 10.352 96.549 1.00 43.50 C ATOM 1923 O ASP B 100 8.295 10.086 96.978 1.00 50.64 O ATOM 1924 CB ASP B 100 6.837 9.912 94.083 1.00 50.18 C ATOM 1925 CG ASP B 100 6.812 8.767 93.060 1.00 61.37 C ATOM 1926 OD1 ASP B 100 6.984 7.579 93.435 1.00 55.67 O ATOM 1927 OD2 ASP B 100 6.639 9.069 91.862 1.00 80.30 O ATOM 1928 H ASP B 100 4.432 9.815 95.006 1.00 0.00 H ATOM 1929 N LYS B 101 6.471 11.415 96.943 1.00 46.07 N ATOM 1930 CA LYS B 101 6.983 12.363 97.934 1.00 50.81 C ATOM 1931 C LYS B 101 6.857 11.794 99.349 1.00 39.60 C ATOM 1932 O LYS B 101 7.730 11.990 100.194 1.00 35.39 O ATOM 1933 CB LYS B 101 6.253 13.707 97.809 1.00 53.02 C ATOM 1934 CG LYS B 101 6.458 14.377 96.455 1.00 70.40 C ATOM 1935 CD LYS B 101 5.604 15.629 96.276 1.00 81.12 C ATOM 1936 CE LYS B 101 6.170 16.527 95.179 1.00 76.14 C ATOM 1937 NZ LYS B 101 5.234 17.623 94.787 1.00 72.78 N ATOM 1938 HZ1 LYS B 101 4.347 17.210 94.434 1.00 0.00 H ATOM 1939 HZ2 LYS B 101 5.035 18.220 95.615 1.00 0.00 H ATOM 1940 HZ3 LYS B 101 5.671 18.200 94.040 1.00 0.00 H ATOM 1941 H LYS B 101 5.529 11.577 96.533 1.00 0.00 H ATOM 1942 N ILE B 102 5.767 11.086 99.602 1.00 32.06 N ATOM 1943 CA ILE B 102 5.600 10.383 100.868 1.00 34.64 C ATOM 1944 C ILE B 102 6.740 9.389 101.065 1.00 41.13 C ATOM 1945 O ILE B 102 7.354 9.323 102.143 1.00 37.83 O ATOM 1946 CB ILE B 102 4.258 9.644 100.909 1.00 39.79 C ATOM 1947 CG1 ILE B 102 3.121 10.647 101.182 1.00 26.30 C ATOM 1948 CG2 ILE B 102 4.288 8.529 101.957 1.00 24.36 C ATOM 1949 CD1 ILE B 102 1.728 10.050 100.937 1.00 27.24 C ATOM 1950 H ILE B 102 5.016 11.030 98.884 1.00 0.00 H ATOM 1951 N ILE B 103 7.024 8.624 100.013 1.00 35.80 N ATOM 1952 CA ILE B 103 8.108 7.651 100.036 1.00 43.20 C ATOM 1953 C ILE B 103 9.465 8.345 100.264 1.00 53.63 C ATOM 1954 O ILE B 103 10.331 7.823 100.969 1.00 48.67 O ATOM 1955 CB ILE B 103 8.129 6.825 98.737 1.00 30.31 C ATOM 1956 CG1 ILE B 103 7.005 5.788 98.762 1.00 26.51 C ATOM 1957 CG2 ILE B 103 9.469 6.129 98.565 1.00 30.02 C ATOM 1958 CD1 ILE B 103 6.863 5.059 97.434 1.00 35.92 C ATOM 1959 H ILE B 103 6.455 8.724 99.148 1.00 0.00 H ATOM 1960 N GLU B 104 9.633 9.525 99.675 1.00 39.46 N ATOM 1961 CA GLU B 104 10.825 10.335 99.881 1.00 49.69 C ATOM 1962 C GLU B 104 11.015 10.740 101.353 1.00 41.75 C ATOM 1963 O GLU B 104 12.139 10.721 101.862 1.00 34.12 O ATOM 1964 CB GLU B 104 10.797 11.569 98.965 1.00 65.20 C ATOM 1965 CG GLU B 104 12.173 12.032 98.527 1.00 98.06 C ATOM 1966 CD GLU B 104 13.072 10.872 98.109 1.00122.61 C ATOM 1967 OE1 GLU B 104 14.240 10.823 98.563 1.00125.66 O ATOM 1968 OE2 GLU B 104 12.614 10.010 97.325 1.00131.00 O ATOM 1969 H GLU B 104 8.887 9.882 99.045 1.00 0.00 H ATOM 1970 N ASN B 105 9.921 11.087 102.032 1.00 38.72 N ATOM 1971 CA ASN B 105 9.969 11.442 103.455 1.00 39.34 C ATOM 1972 C ASN B 105 10.271 10.261 104.387 1.00 43.94 C ATOM 1973 O ASN B 105 10.788 10.446 105.491 1.00 49.58 O ATOM 1974 CB ASN B 105 8.665 12.135 103.887 1.00 46.70 C ATOM 1975 CG ASN B 105 8.558 13.567 103.368 1.00 47.10 C ATOM 1976 OD1 ASN B 105 9.568 14.246 103.178 1.00 62.60 O ATOM 1977 ND2 ASN B 105 7.329 14.032 103.145 1.00 43.00 N ATOM 1978 HD22 ASN B 105 6.503 13.424 103.319 1.00 0.00 H ATOM 1979 HD21 ASN B 105 7.196 15.003 102.797 1.00 0.00 H ATOM 1980 H ASN B 105 9.006 11.107 101.538 1.00 0.00 H ATOM 1981 N LEU B 106 9.946 9.049 103.949 1.00 45.60 N ATOM 1982 CA LEU B 106 10.201 7.874 104.773 1.00 44.92 C ATOM 1983 C LEU B 106 11.684 7.503 104.773 1.00 44.08 C ATOM 1984 O LEU B 106 12.204 7.019 105.773 1.00 56.86 O ATOM 1985 CB LEU B 106 9.347 6.687 104.325 1.00 42.78 C ATOM 1986 CG LEU B 106 7.823 6.801 104.402 1.00 42.76 C ATOM 1987 CD1 LEU B 106 7.195 5.635 103.636 1.00 32.77 C ATOM 1988 CD2 LEU B 106 7.317 6.864 105.845 1.00 40.51 C ATOM 1989 H LEU B 106 9.507 8.938 103.013 1.00 0.00 H ATOM 1990 N GLU B 107 12.363 7.732 103.653 1.00 60.78 N ATOM 1991 CA GLU B 107 13.797 7.436 103.551 1.00 73.77 C ATOM 1992 C GLU B 107 14.653 8.421 104.365 1.00 82.70 C ATOM 1993 O GLU B 107 15.557 8.016 105.100 1.00 92.32 O ATOM 1994 CB GLU B 107 14.229 7.350 102.084 1.00 67.66 C ATOM 1995 CG GLU B 107 13.949 5.969 101.477 1.00 84.52 C ATOM 1996 CD GLU B 107 13.463 6.021 100.035 1.00105.42 C ATOM 1997 OE1 GLU B 107 13.393 7.130 99.459 1.00117.95 O ATOM 1998 OE2 GLU B 107 13.147 4.943 99.479 1.00109.81 O ATOM 1999 H GLU B 107 11.867 8.130 102.830 1.00 0.00 H ATOM 2000 N ALA B 108 14.358 9.710 104.236 1.00 77.00 N ATOM 2001 CA ALA B 108 14.962 10.730 105.086 1.00 84.64 C ATOM 2002 C ALA B 108 14.256 12.073 104.920 1.00 80.51 C ATOM 2003 O ALA B 108 13.213 12.306 105.526 1.00 75.94 O ATOM 2004 CB ALA B 108 16.466 10.858 104.800 1.00 92.37 C ATOM 2005 H ALA B 108 13.676 10.001 103.507 1.00 0.00 H TER 2006 ALA B 108 HETATM 2007 O HOH 1 4.571 -14.619 105.688 1.00 27.38 O HETATM 2008 O HOH 2 0.642 -4.040 115.065 1.00 29.34 O HETATM 2009 O HOH 3 -7.204 3.440 105.125 1.00 33.39 O HETATM 2010 O HOH 4 -1.621 7.062 108.062 1.00 31.74 O HETATM 2011 O HOH 5 9.568 1.393 109.932 1.00 23.37 O HETATM 2012 O HOH 6 13.819 -9.322 109.443 1.00 27.13 O HETATM 2013 O HOH 7 13.665 -8.507 111.889 1.00 42.36 O HETATM 2014 O HOH 8 7.880 -13.798 111.866 1.00 27.05 O HETATM 2015 O HOH 9 11.077 -5.077 107.816 1.00 28.97 O HETATM 2016 O HOH 10 -4.188 -8.916 109.556 1.00 22.05 O HETATM 2017 O HOH 11 13.280 -14.117 104.975 1.00 50.11 O HETATM 2018 O HOH 12 14.118 -3.551 111.577 1.00 38.46 O HETATM 2019 O HOH 13 11.130 -14.861 102.292 1.00 27.40 O HETATM 2020 O HOH 14 7.662 9.865 108.759 1.00 41.93 O HETATM 2021 O HOH 15 -11.214 -3.572 106.729 1.00 35.16 O HETATM 2022 O HOH 16 -14.619 4.571 74.099 1.00 27.38 O HETATM 2023 O HOH 17 -4.040 0.642 64.722 1.00 29.34 O HETATM 2024 O HOH 18 3.440 -7.204 74.662 1.00 33.39 O HETATM 2025 O HOH 19 7.062 -1.621 71.725 1.00 31.74 O HETATM 2026 O HOH 20 1.393 9.568 69.855 1.00 23.37 O HETATM 2027 O HOH 21 -9.322 13.819 70.344 1.00 27.13 O HETATM 2028 O HOH 22 -8.507 13.665 67.898 1.00 42.36 O HETATM 2029 O HOH 23 -13.798 7.880 67.921 1.00 27.05 O HETATM 2030 O HOH 24 -5.077 11.077 71.971 1.00 28.97 O HETATM 2031 O HOH 25 -8.916 -4.188 70.231 1.00 22.05 O HETATM 2032 O HOH 26 -14.117 13.280 74.812 1.00 50.11 O HETATM 2033 O HOH 27 -3.551 14.118 68.210 1.00 38.46 O HETATM 2034 O HOH 28 -14.861 11.130 77.495 1.00 27.40 O HETATM 2035 O HOH 29 9.865 7.662 71.028 1.00 41.93 O HETATM 2036 O HOH 30 -3.572 -11.214 73.058 1.00 35.16 O HETATM 2037 N1 RBF A 31 1.649 3.616 88.958 1.00 -0.25 N HETATM 2038 C2 RBF A 31 0.514 2.963 88.596 1.00 0.24 C HETATM 2039 O2 RBF A 31 -0.301 3.540 87.841 1.00 -0.39 O HETATM 2040 N3 RBF A 31 0.231 1.717 89.017 1.00 -0.19 N HETATM 2041 C4 RBF A 31 1.050 1.029 89.827 1.00 0.27 C HETATM 2042 O4 RBF A 31 0.760 -0.129 90.202 1.00 -0.37 O HETATM 2043 C4A RBF A 31 2.315 1.672 90.271 1.00 0.21 C HETATM 2044 N5 RBF A 31 3.195 1.046 91.088 1.00 -0.24 N HETATM 2045 C5A RBF A 31 4.339 1.657 91.475 1.00 0.09 C HETATM 2046 C6 RBF A 31 5.226 0.989 92.314 1.00 -0.04 C HETATM 2047 C7 RBF A 31 6.407 1.606 92.719 1.00 -0.04 C HETATM 2048 C7M RBF A 31 7.364 0.876 93.628 1.00 -0.04 C HETATM 2049 H3 RBF A 31 6.961 -0.121 93.860 1.00 0.04 H HETATM 2050 H4 RBF A 31 7.492 1.446 94.560 1.00 0.04 H HETATM 2051 H5 RBF A 31 8.337 0.770 93.127 1.00 0.04 H HETATM 2052 C8 RBF A 31 6.722 2.986 92.254 1.00 -0.04 C HETATM 2053 C8M RBF A 31 7.998 3.658 92.692 1.00 -0.03 C HETATM 2054 H6 RBF A 31 8.053 4.664 92.250 1.00 0.04 H HETATM 2055 H7 RBF A 31 8.860 3.062 92.357 1.00 0.04 H HETATM 2056 H8 RBF A 31 8.012 3.738 93.789 1.00 0.04 H HETATM 2057 C9 RBF A 31 5.837 3.657 91.414 1.00 -0.03 C HETATM 2058 C9A RBF A 31 4.656 3.040 91.007 1.00 0.10 C HETATM 2059 N10 RBF A 31 3.755 3.709 90.150 1.00 -0.21 N HETATM 2060 C10 RBF A 31 2.567 3.047 89.774 1.00 0.19 C HETATM 2061 C1' RBF A 31 4.017 5.073 89.678 1.00 0.09 C HETATM 2062 C2' RBF A 31 4.341 5.073 88.189 1.00 0.11 C HETATM 2063 O2' RBF A 31 5.755 4.937 88.006 1.00 -0.39 O HETATM 2064 H13 RBF A 31 6.199 5.664 88.427 1.00 0.21 H HETATM 2065 C3' RBF A 31 3.860 6.366 87.537 1.00 0.11 C HETATM 2066 O3' RBF A 31 4.488 7.476 88.187 1.00 -0.39 O HETATM 2067 H15 RBF A 31 4.193 8.285 87.786 1.00 0.21 H HETATM 2068 C4' RBF A 31 2.342 6.519 87.627 1.00 0.11 C HETATM 2069 O4' RBF A 31 1.691 5.286 87.289 1.00 -0.39 O HETATM 2070 H17 RBF A 31 1.969 4.607 87.892 1.00 0.21 H HETATM 2071 C5' RBF A 31 1.837 7.639 86.720 1.00 0.07 C HETATM 2072 O5' RBF A 31 2.851 7.991 85.769 1.00 -0.39 O HETATM 2073 H20 RBF A 31 3.627 8.286 86.230 1.00 0.21 H HETATM 2074 H18 RBF A 31 1.589 8.519 87.331 1.00 0.06 H HETATM 2075 H19 RBF A 31 0.938 7.298 86.185 1.00 0.06 H HETATM 2076 H16 RBF A 31 2.085 6.775 88.665 1.00 0.06 H HETATM 2077 H14 RBF A 31 4.150 6.356 86.476 1.00 0.06 H HETATM 2078 H12 RBF A 31 3.832 4.222 87.712 1.00 0.06 H HETATM 2079 H10 RBF A 31 4.870 5.490 90.233 1.00 0.06 H HETATM 2080 H11 RBF A 31 3.126 5.694 89.854 1.00 0.06 H HETATM 2081 H9 RBF A 31 6.067 4.661 91.076 1.00 0.05 H HETATM 2082 H2 RBF A 31 4.997 -0.015 92.653 1.00 0.06 H HETATM 2083 H1 RBF A 31 -0.621 1.288 88.715 1.00 0.22 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 646 647 662 663 664 CONECT 662 646 CONECT 663 646 CONECT 664 646 CONECT 1004 1005 1010 1011 1012 CONECT 1011 1004 CONECT 1012 1004 CONECT 1649 1650 1665 1666 1667 CONECT 1665 1649 CONECT 1666 1649 CONECT 1667 1649 CONECT 2037 2038 2060 CONECT 2038 2037 2039 2040 CONECT 2039 2038 CONECT 2040 2038 2041 2083 CONECT 2041 2040 2042 2043 CONECT 2042 2041 CONECT 2043 2041 2044 2060 CONECT 2044 2043 2045 CONECT 2045 2044 2046 2058 CONECT 2046 2045 2047 2082 CONECT 2047 2046 2048 2052 CONECT 2048 2047 2049 2050 2051 CONECT 2049 2048 CONECT 2050 2048 CONECT 2051 2048 CONECT 2052 2047 2053 2057 CONECT 2053 2052 2054 2055 2056 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2053 CONECT 2057 2052 2058 2081 CONECT 2058 2045 2057 2059 CONECT 2059 2058 2060 2061 CONECT 2060 2037 2043 2059 CONECT 2061 2059 2062 2079 2080 CONECT 2062 2061 2063 2065 2078 CONECT 2063 2062 2064 CONECT 2064 2063 CONECT 2065 2062 2066 2068 2077 CONECT 2066 2065 2067 CONECT 2067 2066 CONECT 2068 2065 2069 2071 2076 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2068 2072 2074 2075 CONECT 2072 2071 2073 CONECT 2073 2072 CONECT 2074 2071 CONECT 2075 2071 CONECT 2076 2068 CONECT 2077 2065 CONECT 2078 2062 CONECT 2079 2061 CONECT 2080 2061 CONECT 2081 2057 CONECT 2082 2046 CONECT 2083 2040 MASTER 0 0 0 0 0 0 0 0 2079 4 61 16 END
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Structure:
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Protein
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Related entries of code: 4zzd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3f8c
RCSB PDB
PDBbind
126aa, >3F8C_1|Chain... *
3f8f
RCSB PDB
PDBbind
126aa, >3F8F_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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PDBbind
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2fl5
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PDBbind
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RCSB PDB
PDBbind
RBF
2vxa
RCSB PDB
PDBbind
RBF
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RCSB PDB
PDBbind
RBF
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RCSB PDB
PDBbind
RBF
Entry Information
PDB ID
4zzd
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
multi-drug binding repressor LmrR
Ligand Name
RBF
EC.Number
E.C.-.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
Kd=0.25uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Plos One Vol. 10: pp. 1-17
Ligand Properties
Formula
C
1
7
H
2
0
N
4
O
6
Molecular Weight
376.364
Exact Mass
376.138
No. of atoms
47
No. of bonds
49
Polar Surface Area
161.56
LOGP Value
-1.30 (
Computed with XLOGP3
)
-1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O
InChI String
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/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):
A2RI36
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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