Browse entries in the PDBbind-CN Database
HEADER 3WDD_COMPLEX COMPND 3WDD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 147 MET TYR GLU ARG PHE THR ASP ARG ALA ARG ARG VAL VAL SEQRES 2 A 147 VAL LEU ALA GLN GLU GLU ALA ARG MET LEU ASN HIS ASN SEQRES 3 A 147 TYR ILE GLY THR GLU HIS ILE LEU LEU GLY LEU ILE HIS SEQRES 4 A 147 GLU GLY GLU GLY VAL ALA ALA LYS SER LEU GLU SER LEU SEQRES 5 A 147 GLY ILE SER LEU GLU GLY VAL ARG SER GLN VAL GLU GLU SEQRES 6 A 147 ILE ILE GLY GLN GLY GLN GLN ALA PRO SER GLY HIS ILE SEQRES 7 A 147 PRO PHE THR PRO ARG ALA LYS LYS VAL LEU GLU LEU SER SEQRES 8 A 147 LEU ARG GLU ALA LEU GLN LEU GLY HIS ASN TYR ILE GLY SEQRES 9 A 147 THR GLU HIS ILE LEU LEU GLY LEU ILE ARG GLU GLY GLU SEQRES 10 A 147 GLY VAL ALA ALA GLN VAL LEU VAL LYS LEU GLY ALA GLU SEQRES 11 A 147 LEU THR ARG VAL ARG GLN GLN VAL ILE GLN LEU LEU SER SEQRES 12 A 147 GLY TYR LEU GLU HET WRP A 316 159 ATOM 1 N MET A 1 -25.900 6.488 -4.213 1.00 9.11 N ATOM 2 CA MET A 1 -25.192 5.236 -4.569 1.00 8.40 C ATOM 3 C MET A 1 -23.816 5.103 -3.959 1.00 7.41 C ATOM 4 O MET A 1 -23.219 4.025 -4.043 1.00 7.73 O ATOM 5 CB MET A 1 -25.090 5.032 -6.081 1.00 8.60 C ATOM 6 CG MET A 1 -26.487 4.870 -6.726 1.00 9.50 C ATOM 7 SD MET A 1 -27.601 6.308 -6.564 1.00 8.79 S ATOM 8 CE MET A 1 -28.813 5.794 -5.322 1.00 12.94 C ATOM 9 HA MET A 1 -25.818 4.455 -4.137 1.00 0.00 H ATOM 10 HB2 MET A 1 -24.593 5.896 -6.523 1.00 0.00 H ATOM 11 HB3 MET A 1 -24.502 4.136 -6.279 1.00 0.00 H ATOM 12 HG2 MET A 1 -26.975 4.013 -6.261 1.00 0.00 H ATOM 13 HG3 MET A 1 -26.345 4.673 -7.789 1.00 0.00 H ATOM 14 HE1 MET A 1 -29.339 4.907 -5.675 1.00 0.00 H ATOM 15 HE2 MET A 1 -28.300 5.567 -4.388 1.00 0.00 H ATOM 16 HE3 MET A 1 -29.528 6.600 -5.158 1.00 0.00 H ATOM 17 HN3 MET A 1 -25.343 7.304 -4.538 1.00 0.00 H ATOM 18 HN2 MET A 1 -26.019 6.536 -3.181 1.00 0.00 H ATOM 19 HN1 MET A 1 -26.833 6.499 -4.671 1.00 0.00 H ATOM 20 N TYR A 2 -23.302 6.154 -3.308 1.00 7.27 N ATOM 21 CA TYR A 2 -21.992 6.022 -2.632 1.00 6.92 C ATOM 22 C TYR A 2 -21.983 4.953 -1.543 1.00 7.09 C ATOM 23 O TYR A 2 -20.917 4.421 -1.203 1.00 8.55 O ATOM 24 CB TYR A 2 -21.519 7.325 -2.104 1.00 7.80 C ATOM 25 CG TYR A 2 -21.178 8.365 -3.138 1.00 6.73 C ATOM 26 CD1 TYR A 2 -20.193 8.165 -4.095 1.00 9.25 C ATOM 27 CD2 TYR A 2 -21.838 9.605 -3.111 1.00 7.70 C ATOM 28 CE1 TYR A 2 -19.849 9.202 -4.992 1.00 9.89 C ATOM 29 CE2 TYR A 2 -21.501 10.631 -3.975 1.00 9.18 C ATOM 30 CZ TYR A 2 -20.502 10.431 -4.888 1.00 10.54 C ATOM 31 OH TYR A 2 -20.136 11.492 -5.701 1.00 15.13 O ATOM 32 HA TYR A 2 -21.292 5.688 -3.398 1.00 0.00 H ATOM 33 HB3 TYR A 2 -20.626 7.140 -1.507 1.00 0.00 H ATOM 34 HB2 TYR A 2 -22.303 7.732 -1.465 1.00 0.00 H ATOM 35 HD2 TYR A 2 -22.639 9.763 -2.388 1.00 0.00 H ATOM 36 HE2 TYR A 2 -22.024 11.586 -3.929 1.00 0.00 H ATOM 37 HE1 TYR A 2 -19.085 9.044 -5.753 1.00 0.00 H ATOM 38 HD1 TYR A 2 -19.682 7.204 -4.155 1.00 0.00 H ATOM 39 HH TYR A 2 -19.822 12.244 -5.139 1.00 0.00 H ATOM 40 H TYR A 2 -23.819 7.056 -3.278 1.00 0.00 H ATOM 41 N GLU A 3 -23.160 4.634 -0.978 1.00 7.75 N ATOM 42 CA GLU A 3 -23.263 3.533 -0.008 1.00 9.70 C ATOM 43 C GLU A 3 -22.743 2.215 -0.535 1.00 8.48 C ATOM 44 O GLU A 3 -22.307 1.395 0.254 1.00 11.26 O ATOM 45 CB GLU A 3 -24.717 3.351 0.555 1.00 10.17 C ATOM 46 CG GLU A 3 -25.744 2.946 -0.467 1.00 12.86 C ATOM 47 CD GLU A 3 -26.331 4.055 -1.274 1.00 11.54 C ATOM 48 OE1 GLU A 3 -25.813 5.211 -1.278 1.00 11.48 O ATOM 49 OE2 GLU A 3 -27.369 3.782 -1.934 1.00 17.86 O ATOM 50 HA GLU A 3 -22.615 3.836 0.814 1.00 0.00 H ATOM 51 HB2 GLU A 3 -24.688 2.584 1.329 1.00 0.00 H ATOM 52 HB3 GLU A 3 -25.031 4.297 0.995 1.00 0.00 H ATOM 53 HG2 GLU A 3 -25.272 2.245 -1.155 1.00 0.00 H ATOM 54 HG3 GLU A 3 -26.559 2.446 0.057 1.00 0.00 H ATOM 55 H GLU A 3 -24.012 5.174 -1.231 1.00 0.00 H ATOM 56 N ARG A 4 -22.721 2.043 -1.852 1.00 7.60 N ATOM 57 CA ARG A 4 -22.253 0.782 -2.420 1.00 8.29 C ATOM 58 C ARG A 4 -20.768 0.816 -2.758 1.00 6.79 C ATOM 59 O ARG A 4 -20.208 -0.208 -3.122 1.00 8.27 O ATOM 60 CB ARG A 4 -23.081 0.500 -3.658 1.00 11.17 C ATOM 61 CG ARG A 4 -24.499 0.044 -3.352 1.00 14.80 C ATOM 62 CD ARG A 4 -25.380 0.115 -4.589 1.00 16.51 C ATOM 63 NE ARG A 4 -24.820 -0.585 -5.751 1.00 18.37 N ATOM 64 CZ ARG A 4 -25.393 -0.569 -6.948 1.00 22.00 C ATOM 65 NH1 ARG A 4 -26.531 0.086 -7.122 1.00 32.19 N ATOM 66 NH2 ARG A 4 -24.862 -1.229 -7.961 1.00 22.44 N ATOM 67 HA ARG A 4 -22.376 -0.012 -1.683 1.00 0.00 H ATOM 68 HB2 ARG A 4 -23.133 1.412 -4.253 1.00 0.00 H ATOM 69 HB3 ARG A 4 -22.585 -0.281 -4.234 1.00 0.00 H ATOM 70 HG2 ARG A 4 -24.472 -0.985 -2.993 1.00 0.00 H ATOM 71 HG3 ARG A 4 -24.920 0.686 -2.578 1.00 0.00 H ATOM 72 HD2 ARG A 4 -25.520 1.163 -4.853 1.00 0.00 H ATOM 73 HD3 ARG A 4 -26.346 -0.331 -4.351 1.00 0.00 H ATOM 74 HE ARG A 4 -23.935 -1.117 -5.631 1.00 0.00 H ATOM 75 HH12 ARG A 4 -26.984 0.102 -8.058 1.00 0.00 H ATOM 76 HH11 ARG A 4 -26.971 0.585 -6.323 1.00 0.00 H ATOM 77 HH22 ARG A 4 -25.322 -1.208 -8.894 1.00 0.00 H ATOM 78 HH21 ARG A 4 -23.984 -1.770 -7.826 1.00 0.00 H ATOM 79 H ARG A 4 -23.038 2.809 -2.480 1.00 0.00 H ATOM 80 N PHE A 5 -20.130 1.973 -2.657 1.00 5.68 N ATOM 81 CA PHE A 5 -18.712 2.060 -2.944 1.00 6.09 C ATOM 82 C PHE A 5 -17.904 1.469 -1.796 1.00 6.40 C ATOM 83 O PHE A 5 -18.253 1.662 -0.636 1.00 7.89 O ATOM 84 CB PHE A 5 -18.273 3.520 -3.113 1.00 6.10 C ATOM 85 CG PHE A 5 -18.623 4.155 -4.438 1.00 6.19 C ATOM 86 CD1 PHE A 5 -19.872 4.024 -5.044 1.00 6.39 C ATOM 87 CD2 PHE A 5 -17.659 4.933 -5.091 1.00 7.82 C ATOM 88 CE1 PHE A 5 -20.155 4.632 -6.289 1.00 7.48 C ATOM 89 CE2 PHE A 5 -17.929 5.549 -6.322 1.00 8.52 C ATOM 90 CZ PHE A 5 -19.175 5.385 -6.933 1.00 7.95 C ATOM 91 HA PHE A 5 -18.535 1.508 -3.867 1.00 0.00 H ATOM 92 HB2 PHE A 5 -18.745 4.106 -2.324 1.00 0.00 H ATOM 93 HB3 PHE A 5 -17.190 3.561 -2.996 1.00 0.00 H ATOM 94 HD2 PHE A 5 -16.678 5.063 -4.633 1.00 0.00 H ATOM 95 HE2 PHE A 5 -17.164 6.158 -6.804 1.00 0.00 H ATOM 96 HZ PHE A 5 -19.378 5.841 -7.902 1.00 0.00 H ATOM 97 HE1 PHE A 5 -21.138 4.512 -6.744 1.00 0.00 H ATOM 98 HD1 PHE A 5 -20.647 3.440 -4.547 1.00 0.00 H ATOM 99 H PHE A 5 -20.651 2.826 -2.369 1.00 0.00 H ATOM 100 N THR A 6 -16.858 0.731 -2.126 1.00 6.12 N ATOM 101 CA THR A 6 -15.927 0.257 -1.104 1.00 6.82 C ATOM 102 C THR A 6 -15.268 1.430 -0.399 1.00 6.67 C ATOM 103 O THR A 6 -15.263 2.562 -0.903 1.00 6.90 O ATOM 104 CB THR A 6 -14.842 -0.629 -1.703 1.00 7.30 C ATOM 105 OG1 THR A 6 -14.021 0.203 -2.540 1.00 7.00 O ATOM 106 CG2 THR A 6 -15.429 -1.813 -2.495 1.00 9.08 C ATOM 107 HA THR A 6 -16.506 -0.329 -0.390 1.00 0.00 H ATOM 108 HB THR A 6 -14.249 -1.074 -0.904 1.00 0.00 H ATOM 109 HG1 THR A 6 -13.303 -0.345 -2.946 1.00 0.00 H ATOM 110 HG23 THR A 6 -16.044 -2.422 -1.833 1.00 0.00 H ATOM 111 HG21 THR A 6 -16.040 -1.433 -3.314 1.00 0.00 H ATOM 112 HG22 THR A 6 -14.616 -2.418 -2.897 1.00 0.00 H ATOM 113 H THR A 6 -16.696 0.485 -3.123 1.00 0.00 H ATOM 114 N ASP A 7 -14.648 1.194 0.747 1.00 8.11 N ATOM 115 CA ASP A 7 -13.922 2.257 1.425 1.00 9.96 C ATOM 116 C ASP A 7 -12.866 2.874 0.517 1.00 8.62 C ATOM 117 O ASP A 7 -12.710 4.068 0.474 1.00 10.32 O ATOM 118 CB ASP A 7 -13.218 1.710 2.692 1.00 13.04 C ATOM 119 CG ASP A 7 -14.173 1.478 3.828 1.00 17.06 C ATOM 120 OD1 ASP A 7 -15.401 1.668 3.703 1.00 20.03 O ATOM 121 OD2 ASP A 7 -13.634 1.130 4.886 1.00 17.87 O ATOM 122 HA ASP A 7 -14.651 3.020 1.699 1.00 0.00 H ATOM 123 HB2 ASP A 7 -12.735 0.765 2.443 1.00 0.00 H ATOM 124 HB3 ASP A 7 -12.464 2.429 3.011 1.00 0.00 H ATOM 125 H ASP A 7 -14.680 0.242 1.165 1.00 0.00 H ATOM 126 N ARG A 8 -12.123 2.032 -0.188 1.00 8.72 N ATOM 127 CA ARG A 8 -11.091 2.551 -1.061 1.00 9.50 C ATOM 128 C ARG A 8 -11.650 3.317 -2.242 1.00 7.80 C ATOM 129 O ARG A 8 -11.095 4.354 -2.631 1.00 9.34 O ATOM 130 CB ARG A 8 -10.195 1.460 -1.539 1.00 10.69 C ATOM 131 CG ARG A 8 -8.972 2.033 -2.140 1.00 12.14 C ATOM 132 CD ARG A 8 -8.089 0.916 -2.595 1.00 14.69 C ATOM 133 NE ARG A 8 -7.382 0.318 -1.476 1.00 21.10 N ATOM 134 CZ ARG A 8 -7.376 -0.971 -1.180 1.00 23.24 C ATOM 135 NH1 ARG A 8 -8.029 -1.835 -1.953 1.00 31.35 N ATOM 136 NH2 ARG A 8 -6.697 -1.393 -0.126 1.00 29.18 N ATOM 137 HA ARG A 8 -10.513 3.255 -0.462 1.00 0.00 H ATOM 138 HB2 ARG A 8 -9.920 0.825 -0.697 1.00 0.00 H ATOM 139 HB3 ARG A 8 -10.719 0.864 -2.286 1.00 0.00 H ATOM 140 HG2 ARG A 8 -9.240 2.658 -2.992 1.00 0.00 H ATOM 141 HG3 ARG A 8 -8.447 2.636 -1.399 1.00 0.00 H ATOM 142 HD2 ARG A 8 -7.362 1.304 -3.309 1.00 0.00 H ATOM 143 HD3 ARG A 8 -8.700 0.154 -3.079 1.00 0.00 H ATOM 144 HE ARG A 8 -6.837 0.954 -0.859 1.00 0.00 H ATOM 145 HH12 ARG A 8 -8.024 -2.848 -1.720 1.00 0.00 H ATOM 146 HH11 ARG A 8 -8.545 -1.497 -2.791 1.00 0.00 H ATOM 147 HH22 ARG A 8 -6.686 -2.405 0.115 1.00 0.00 H ATOM 148 HH21 ARG A 8 -6.174 -0.713 0.462 1.00 0.00 H ATOM 149 H ARG A 8 -12.280 1.007 -0.114 1.00 0.00 H ATOM 150 N ALA A 9 -12.754 2.869 -2.798 1.00 6.94 N ATOM 151 CA ALA A 9 -13.374 3.621 -3.909 1.00 6.07 C ATOM 152 C ALA A 9 -13.872 4.996 -3.409 1.00 5.29 C ATOM 153 O ALA A 9 -13.753 5.995 -4.107 1.00 6.10 O ATOM 154 CB ALA A 9 -14.519 2.817 -4.505 1.00 6.14 C ATOM 155 HA ALA A 9 -12.628 3.789 -4.686 1.00 0.00 H ATOM 156 HB1 ALA A 9 -14.137 1.868 -4.882 1.00 0.00 H ATOM 157 HB2 ALA A 9 -15.268 2.629 -3.736 1.00 0.00 H ATOM 158 HB3 ALA A 9 -14.969 3.380 -5.323 1.00 0.00 H ATOM 159 H ALA A 9 -13.190 1.988 -2.457 1.00 0.00 H ATOM 160 N ARG A 10 -14.446 5.064 -2.190 1.00 6.51 N ATOM 161 CA ARG A 10 -14.814 6.368 -1.608 1.00 6.73 C ATOM 162 C ARG A 10 -13.586 7.234 -1.425 1.00 7.54 C ATOM 163 O ARG A 10 -13.636 8.418 -1.705 1.00 7.94 O ATOM 164 CB ARG A 10 -15.534 6.163 -0.265 1.00 8.87 C ATOM 165 CG ARG A 10 -16.924 5.590 -0.413 1.00 11.28 C ATOM 166 CD ARG A 10 -17.622 5.552 0.970 1.00 14.87 C ATOM 167 NE ARG A 10 -18.719 4.588 0.920 1.00 13.72 N ATOM 168 CZ ARG A 10 -19.260 4.033 1.995 1.00 13.10 C ATOM 169 NH1 ARG A 10 -18.846 4.403 3.208 1.00 16.07 N ATOM 170 NH2 ARG A 10 -20.211 3.111 1.865 1.00 16.18 N ATOM 171 HA ARG A 10 -15.491 6.877 -2.294 1.00 0.00 H ATOM 172 HB2 ARG A 10 -14.942 5.481 0.345 1.00 0.00 H ATOM 173 HB3 ARG A 10 -15.609 7.127 0.238 1.00 0.00 H ATOM 174 HG2 ARG A 10 -17.503 6.213 -1.095 1.00 0.00 H ATOM 175 HG3 ARG A 10 -16.859 4.579 -0.814 1.00 0.00 H ATOM 176 HD2 ARG A 10 -18.014 6.540 1.210 1.00 0.00 H ATOM 177 HD3 ARG A 10 -16.905 5.252 1.734 1.00 0.00 H ATOM 178 HE ARG A 10 -19.097 4.322 -0.012 1.00 0.00 H ATOM 179 HH12 ARG A 10 -19.267 3.971 4.055 1.00 0.00 H ATOM 180 HH11 ARG A 10 -18.102 5.123 3.306 1.00 0.00 H ATOM 181 HH22 ARG A 10 -20.634 2.677 2.710 1.00 0.00 H ATOM 182 HH21 ARG A 10 -20.531 2.824 0.918 1.00 0.00 H ATOM 183 H ARG A 10 -14.630 4.190 -1.657 1.00 0.00 H ATOM 184 N ARG A 11 -12.481 6.652 -0.949 1.00 7.87 N ATOM 185 CA ARG A 11 -11.247 7.425 -0.784 1.00 8.77 C ATOM 186 C ARG A 11 -10.789 7.992 -2.131 1.00 8.61 C ATOM 187 O ARG A 11 -10.302 9.113 -2.165 1.00 9.62 O ATOM 188 CB ARG A 11 -10.164 6.595 -0.061 1.00 11.29 C ATOM 189 CG ARG A 11 -10.399 6.460 1.474 1.00 14.63 C ATOM 190 CD ARG A 11 -9.159 6.056 2.235 1.00 14.83 C ATOM 191 NE ARG A 11 -8.693 4.730 1.819 1.00 15.85 N ATOM 192 CZ ARG A 11 -9.129 3.582 2.338 1.00 15.45 C ATOM 193 NH1 ARG A 11 -10.049 3.612 3.301 1.00 20.14 N ATOM 194 NH2 ARG A 11 -8.644 2.427 1.917 1.00 17.26 N ATOM 195 HA ARG A 11 -11.442 8.281 -0.138 1.00 0.00 H ATOM 196 HB2 ARG A 11 -10.148 5.596 -0.496 1.00 0.00 H ATOM 197 HB3 ARG A 11 -9.198 7.075 -0.221 1.00 0.00 H ATOM 198 HG2 ARG A 11 -10.743 7.421 1.857 1.00 0.00 H ATOM 199 HG3 ARG A 11 -11.169 5.707 1.641 1.00 0.00 H ATOM 200 HD2 ARG A 11 -9.386 6.036 3.301 1.00 0.00 H ATOM 201 HD3 ARG A 11 -8.372 6.786 2.046 1.00 0.00 H ATOM 202 HE ARG A 11 -7.974 4.681 1.069 1.00 0.00 H ATOM 203 HH12 ARG A 11 -10.398 2.724 3.715 1.00 0.00 H ATOM 204 HH11 ARG A 11 -10.418 4.524 3.639 1.00 0.00 H ATOM 205 HH22 ARG A 11 -8.990 1.537 2.328 1.00 0.00 H ATOM 206 HH21 ARG A 11 -7.916 2.408 1.175 1.00 0.00 H ATOM 207 H ARG A 11 -12.497 5.644 -0.694 1.00 0.00 H ATOM 208 N VAL A 12 -10.920 7.242 -3.230 1.00 8.17 N ATOM 209 CA VAL A 12 -10.532 7.751 -4.545 1.00 8.06 C ATOM 210 C VAL A 12 -11.349 8.987 -4.907 1.00 6.04 C ATOM 211 O VAL A 12 -10.804 9.953 -5.407 1.00 6.76 O ATOM 212 CB VAL A 12 -10.695 6.653 -5.574 1.00 9.03 C ATOM 213 CG1 VAL A 12 -10.683 7.217 -7.020 1.00 10.27 C ATOM 214 CG2 VAL A 12 -9.633 5.582 -5.412 1.00 14.06 C ATOM 215 HA VAL A 12 -9.485 8.054 -4.524 1.00 0.00 H ATOM 216 HB VAL A 12 -11.669 6.196 -5.401 1.00 0.00 H ATOM 217 HG11 VAL A 12 -11.503 7.925 -7.139 1.00 0.00 H ATOM 218 HG12 VAL A 12 -9.735 7.723 -7.203 1.00 0.00 H ATOM 219 HG13 VAL A 12 -10.802 6.398 -7.729 1.00 0.00 H ATOM 220 HG21 VAL A 12 -8.646 6.029 -5.535 1.00 0.00 H ATOM 221 HG22 VAL A 12 -9.712 5.141 -4.418 1.00 0.00 H ATOM 222 HG23 VAL A 12 -9.780 4.809 -6.167 1.00 0.00 H ATOM 223 H VAL A 12 -11.305 6.279 -3.148 1.00 0.00 H ATOM 224 N VAL A 13 -12.652 8.948 -4.662 1.00 5.82 N ATOM 225 CA VAL A 13 -13.518 10.076 -4.991 1.00 6.43 C ATOM 226 C VAL A 13 -13.166 11.283 -4.119 1.00 5.65 C ATOM 227 O VAL A 13 -13.067 12.411 -4.620 1.00 6.09 O ATOM 228 CB VAL A 13 -15.026 9.652 -4.833 1.00 8.64 C ATOM 229 CG1 VAL A 13 -15.937 10.824 -5.082 1.00 9.42 C ATOM 230 CG2 VAL A 13 -15.321 8.487 -5.820 1.00 9.75 C ATOM 231 HA VAL A 13 -13.362 10.370 -6.029 1.00 0.00 H ATOM 232 HB VAL A 13 -15.210 9.314 -3.813 1.00 0.00 H ATOM 233 HG11 VAL A 13 -15.715 11.614 -4.364 1.00 0.00 H ATOM 234 HG12 VAL A 13 -15.779 11.197 -6.094 1.00 0.00 H ATOM 235 HG13 VAL A 13 -16.974 10.507 -4.967 1.00 0.00 H ATOM 236 HG21 VAL A 13 -15.134 8.821 -6.841 1.00 0.00 H ATOM 237 HG22 VAL A 13 -14.672 7.643 -5.588 1.00 0.00 H ATOM 238 HG23 VAL A 13 -16.363 8.183 -5.721 1.00 0.00 H ATOM 239 H VAL A 13 -13.064 8.098 -4.227 1.00 0.00 H ATOM 240 N VAL A 14 -12.959 11.050 -2.827 1.00 6.34 N ATOM 241 CA VAL A 14 -12.539 12.128 -1.923 1.00 6.84 C ATOM 242 C VAL A 14 -11.205 12.690 -2.383 1.00 6.42 C ATOM 243 O VAL A 14 -11.011 13.939 -2.392 1.00 7.52 O ATOM 244 CB VAL A 14 -12.476 11.574 -0.478 1.00 8.16 C ATOM 245 CG1 VAL A 14 -11.727 12.513 0.444 1.00 11.06 C ATOM 246 CG2 VAL A 14 -13.878 11.278 0.047 1.00 8.96 C ATOM 247 HA VAL A 14 -13.257 12.948 -1.939 1.00 0.00 H ATOM 248 HB VAL A 14 -11.920 10.637 -0.502 1.00 0.00 H ATOM 249 HG11 VAL A 14 -10.708 12.643 0.079 1.00 0.00 H ATOM 250 HG12 VAL A 14 -12.232 13.479 0.466 1.00 0.00 H ATOM 251 HG13 VAL A 14 -11.703 12.091 1.449 1.00 0.00 H ATOM 252 HG21 VAL A 14 -14.466 12.196 0.046 1.00 0.00 H ATOM 253 HG22 VAL A 14 -14.356 10.538 -0.595 1.00 0.00 H ATOM 254 HG23 VAL A 14 -13.810 10.890 1.063 1.00 0.00 H ATOM 255 H VAL A 14 -13.097 10.090 -2.451 1.00 0.00 H ATOM 256 N LEU A 15 -10.260 11.843 -2.746 1.00 6.59 N ATOM 257 CA LEU A 15 -8.991 12.345 -3.168 1.00 6.77 C ATOM 258 C LEU A 15 -9.082 13.104 -4.526 1.00 5.78 C ATOM 259 O LEU A 15 -8.397 14.119 -4.702 1.00 6.86 O ATOM 260 CB LEU A 15 -8.016 11.188 -3.169 1.00 5.57 C ATOM 261 CG LEU A 15 -6.616 11.539 -3.553 1.00 4.57 C ATOM 262 CD1 LEU A 15 -6.013 12.575 -2.587 1.00 5.33 C ATOM 263 CD2 LEU A 15 -5.859 10.238 -3.585 1.00 4.47 C ATOM 264 HA LEU A 15 -8.627 13.102 -2.474 1.00 0.00 H ATOM 265 HB2 LEU A 15 -7.995 10.763 -2.165 1.00 0.00 H ATOM 266 HB3 LEU A 15 -8.381 10.439 -3.871 1.00 0.00 H ATOM 267 HG LEU A 15 -6.568 12.021 -4.529 1.00 0.00 H ATOM 268 HD21 LEU A 15 -5.894 9.774 -2.599 1.00 0.00 H ATOM 269 HD22 LEU A 15 -6.315 9.572 -4.318 1.00 0.00 H ATOM 270 HD23 LEU A 15 -4.822 10.429 -3.861 1.00 0.00 H ATOM 271 HD11 LEU A 15 -6.616 13.483 -2.607 1.00 0.00 H ATOM 272 HD12 LEU A 15 -6.003 12.166 -1.577 1.00 0.00 H ATOM 273 HD13 LEU A 15 -4.994 12.808 -2.896 1.00 0.00 H ATOM 274 H LEU A 15 -10.438 10.819 -2.725 1.00 0.00 H ATOM 275 N ALA A 16 -9.957 12.657 -5.439 1.00 5.75 N ATOM 276 CA ALA A 16 -10.146 13.355 -6.709 1.00 5.03 C ATOM 277 C ALA A 16 -10.507 14.805 -6.477 1.00 4.43 C ATOM 278 O ALA A 16 -10.032 15.691 -7.194 1.00 4.80 O ATOM 279 CB ALA A 16 -11.225 12.638 -7.533 1.00 5.88 C ATOM 280 HA ALA A 16 -9.211 13.339 -7.268 1.00 0.00 H ATOM 281 HB1 ALA A 16 -10.911 11.612 -7.725 1.00 0.00 H ATOM 282 HB2 ALA A 16 -12.163 12.635 -6.977 1.00 0.00 H ATOM 283 HB3 ALA A 16 -11.364 13.160 -8.480 1.00 0.00 H ATOM 284 H ALA A 16 -10.510 11.799 -5.240 1.00 0.00 H ATOM 285 N GLN A 17 -11.376 15.077 -5.502 1.00 4.41 N ATOM 286 CA GLN A 17 -11.714 16.459 -5.221 1.00 4.15 C ATOM 287 C GLN A 17 -10.489 17.273 -4.826 1.00 4.48 C ATOM 288 O GLN A 17 -10.321 18.430 -5.248 1.00 4.82 O ATOM 289 CB GLN A 17 -12.778 16.546 -4.129 1.00 4.70 C ATOM 290 CG GLN A 17 -13.123 18.014 -3.782 1.00 4.95 C ATOM 291 CD GLN A 17 -14.304 18.188 -2.873 1.00 5.02 C ATOM 292 OE1 GLN A 17 -15.158 19.026 -3.130 1.00 6.90 O ATOM 293 NE2 GLN A 17 -14.393 17.441 -1.801 1.00 6.59 N ATOM 294 HA GLN A 17 -12.115 16.885 -6.141 1.00 0.00 H ATOM 295 HB2 GLN A 17 -13.681 16.043 -4.474 1.00 0.00 H ATOM 296 HB3 GLN A 17 -12.407 16.049 -3.233 1.00 0.00 H ATOM 297 HG2 GLN A 17 -12.254 18.461 -3.298 1.00 0.00 H ATOM 298 HG3 GLN A 17 -13.331 18.542 -4.713 1.00 0.00 H ATOM 299 HE22 GLN A 17 -13.658 16.734 -1.598 1.00 0.00 H ATOM 300 HE21 GLN A 17 -15.198 17.555 -1.153 1.00 0.00 H ATOM 301 H GLN A 17 -11.806 14.307 -4.950 1.00 0.00 H ATOM 302 N GLU A 18 -9.612 16.696 -4.005 1.00 4.92 N ATOM 303 CA GLU A 18 -8.417 17.410 -3.575 1.00 5.01 C ATOM 304 C GLU A 18 -7.376 17.510 -4.662 1.00 5.65 C ATOM 305 O GLU A 18 -6.589 18.483 -4.696 1.00 7.11 O ATOM 306 CB GLU A 18 -7.885 16.810 -2.281 1.00 6.15 C ATOM 307 CG GLU A 18 -8.928 16.780 -1.192 1.00 6.63 C ATOM 308 CD GLU A 18 -9.733 18.077 -1.058 1.00 7.27 C ATOM 309 OE1 GLU A 18 -9.093 19.147 -0.972 1.00 8.24 O ATOM 310 OE2 GLU A 18 -10.981 18.074 -1.020 1.00 8.12 O ATOM 311 HA GLU A 18 -8.694 18.443 -3.366 1.00 0.00 H ATOM 312 HB2 GLU A 18 -7.554 15.790 -2.477 1.00 0.00 H ATOM 313 HB3 GLU A 18 -7.039 17.406 -1.940 1.00 0.00 H ATOM 314 HG2 GLU A 18 -9.622 15.967 -1.405 1.00 0.00 H ATOM 315 HG3 GLU A 18 -8.427 16.589 -0.243 1.00 0.00 H ATOM 316 H GLU A 18 -9.782 15.727 -3.668 1.00 0.00 H ATOM 317 N GLU A 19 -7.350 16.541 -5.607 1.00 6.18 N ATOM 318 CA GLU A 19 -6.501 16.689 -6.787 1.00 7.16 C ATOM 319 C GLU A 19 -6.915 17.913 -7.559 1.00 6.56 C ATOM 320 O GLU A 19 -6.080 18.699 -8.031 1.00 9.43 O ATOM 321 CB GLU A 19 -6.596 15.459 -7.690 1.00 8.27 C ATOM 322 CG GLU A 19 -6.193 14.141 -7.036 1.00 10.67 C ATOM 323 CD GLU A 19 -4.744 13.993 -6.751 1.00 12.52 C ATOM 324 OE1 GLU A 19 -3.929 14.700 -7.348 1.00 13.34 O ATOM 325 OE2 GLU A 19 -4.416 13.069 -5.968 1.00 13.66 O ATOM 326 HA GLU A 19 -5.468 16.793 -6.454 1.00 0.00 H ATOM 327 HB2 GLU A 19 -7.628 15.367 -8.027 1.00 0.00 H ATOM 328 HB3 GLU A 19 -5.947 15.621 -8.551 1.00 0.00 H ATOM 329 HG2 GLU A 19 -6.733 14.053 -6.093 1.00 0.00 H ATOM 330 HG3 GLU A 19 -6.491 13.330 -7.700 1.00 0.00 H ATOM 331 H GLU A 19 -7.936 15.689 -5.493 1.00 0.00 H ATOM 332 N ALA A 20 -8.214 18.127 -7.729 1.00 5.29 N ATOM 333 CA ALA A 20 -8.706 19.339 -8.391 1.00 5.18 C ATOM 334 C ALA A 20 -8.349 20.586 -7.592 1.00 4.96 C ATOM 335 O ALA A 20 -7.846 21.573 -8.144 1.00 5.84 O ATOM 336 CB ALA A 20 -10.202 19.228 -8.625 1.00 5.22 C ATOM 337 HA ALA A 20 -8.216 19.435 -9.360 1.00 0.00 H ATOM 338 HB1 ALA A 20 -10.406 18.364 -9.257 1.00 0.00 H ATOM 339 HB2 ALA A 20 -10.710 19.108 -7.668 1.00 0.00 H ATOM 340 HB3 ALA A 20 -10.560 20.132 -9.117 1.00 0.00 H ATOM 341 H ALA A 20 -8.896 17.421 -7.386 1.00 0.00 H ATOM 342 N ARG A 21 -8.622 20.538 -6.274 1.00 4.82 N ATOM 343 CA ARG A 21 -8.430 21.757 -5.463 1.00 5.82 C ATOM 344 C ARG A 21 -6.964 22.243 -5.541 1.00 5.80 C ATOM 345 O ARG A 21 -6.691 23.442 -5.652 1.00 6.80 O ATOM 346 CB ARG A 21 -8.806 21.476 -4.003 1.00 5.57 C ATOM 347 CG ARG A 21 -9.039 22.746 -3.253 1.00 6.01 C ATOM 348 CD ARG A 21 -9.305 22.485 -1.766 1.00 6.32 C ATOM 349 NE ARG A 21 -10.352 21.491 -1.538 1.00 6.07 N ATOM 350 CZ ARG A 21 -11.642 21.695 -1.628 1.00 6.38 C ATOM 351 NH1 ARG A 21 -12.475 20.666 -1.444 1.00 7.27 N ATOM 352 NH2 ARG A 21 -12.142 22.906 -1.913 1.00 7.40 N ATOM 353 HA ARG A 21 -9.076 22.540 -5.860 1.00 0.00 H ATOM 354 HB2 ARG A 21 -9.716 20.876 -3.979 1.00 0.00 H ATOM 355 HB3 ARG A 21 -7.996 20.924 -3.526 1.00 0.00 H ATOM 356 HG2 ARG A 21 -8.158 23.380 -3.349 1.00 0.00 H ATOM 357 HG3 ARG A 21 -9.901 23.257 -3.682 1.00 0.00 H ATOM 358 HD2 ARG A 21 -9.607 23.422 -1.297 1.00 0.00 H ATOM 359 HD3 ARG A 21 -8.383 22.131 -1.305 1.00 0.00 H ATOM 360 HE ARG A 21 -10.043 20.532 -1.280 1.00 0.00 H ATOM 361 HH12 ARG A 21 -13.503 20.810 -1.512 1.00 0.00 H ATOM 362 HH11 ARG A 21 -12.095 19.721 -1.233 1.00 0.00 H ATOM 363 HH22 ARG A 21 -13.171 23.041 -1.979 1.00 0.00 H ATOM 364 HH21 ARG A 21 -11.501 23.710 -2.068 1.00 0.00 H ATOM 365 H ARG A 21 -8.962 19.658 -5.835 1.00 0.00 H ATOM 366 N MET A 22 -6.027 21.294 -5.433 1.00 6.63 N ATOM 367 CA MET A 22 -4.605 21.641 -5.391 1.00 7.38 C ATOM 368 C MET A 22 -4.055 22.061 -6.730 1.00 7.73 C ATOM 369 O MET A 22 -2.981 22.639 -6.784 1.00 10.74 O ATOM 370 CB MET A 22 -3.804 20.538 -4.715 1.00 9.41 C ATOM 371 CG MET A 22 -4.112 20.386 -3.213 1.00 9.97 C ATOM 372 SD MET A 22 -3.706 21.778 -2.134 1.00 10.93 S ATOM 373 CE MET A 22 -5.264 22.571 -1.939 1.00 9.80 C ATOM 374 HA MET A 22 -4.501 22.533 -4.774 1.00 0.00 H ATOM 375 HB2 MET A 22 -4.030 19.594 -5.211 1.00 0.00 H ATOM 376 HB3 MET A 22 -2.743 20.762 -4.829 1.00 0.00 H ATOM 377 HG2 MET A 22 -3.558 19.520 -2.852 1.00 0.00 H ATOM 378 HG3 MET A 22 -5.181 20.198 -3.116 1.00 0.00 H ATOM 379 HE1 MET A 22 -5.635 22.884 -2.915 1.00 0.00 H ATOM 380 HE2 MET A 22 -5.970 21.875 -1.486 1.00 0.00 H ATOM 381 HE3 MET A 22 -5.148 23.443 -1.296 1.00 0.00 H ATOM 382 H MET A 22 -6.313 20.296 -5.378 1.00 0.00 H ATOM 383 N LEU A 23 -4.789 21.833 -7.808 1.00 7.72 N ATOM 384 CA LEU A 23 -4.485 22.340 -9.148 1.00 8.14 C ATOM 385 C LEU A 23 -5.214 23.624 -9.436 1.00 7.55 C ATOM 386 O LEU A 23 -5.166 24.127 -10.580 1.00 8.60 O ATOM 387 CB LEU A 23 -4.815 21.281 -10.220 1.00 9.38 C ATOM 388 CG LEU A 23 -3.900 20.060 -10.175 1.00 10.80 C ATOM 389 CD1 LEU A 23 -4.450 18.991 -11.110 1.00 12.85 C ATOM 390 CD2 LEU A 23 -2.424 20.397 -10.471 1.00 15.32 C ATOM 391 HA LEU A 23 -3.416 22.551 -9.182 1.00 0.00 H ATOM 392 HB2 LEU A 23 -5.842 20.948 -10.071 1.00 0.00 H ATOM 393 HB3 LEU A 23 -4.724 21.744 -11.202 1.00 0.00 H ATOM 394 HG LEU A 23 -3.895 19.674 -9.156 1.00 0.00 H ATOM 395 HD21 LEU A 23 -2.345 20.833 -11.467 1.00 0.00 H ATOM 396 HD22 LEU A 23 -2.060 21.110 -9.731 1.00 0.00 H ATOM 397 HD23 LEU A 23 -1.828 19.486 -10.423 1.00 0.00 H ATOM 398 HD11 LEU A 23 -5.453 18.710 -10.789 1.00 0.00 H ATOM 399 HD12 LEU A 23 -4.489 19.384 -12.126 1.00 0.00 H ATOM 400 HD13 LEU A 23 -3.800 18.116 -11.082 1.00 0.00 H ATOM 401 H LEU A 23 -5.644 21.251 -7.695 1.00 0.00 H ATOM 402 N ASN A 24 -5.897 24.191 -8.444 1.00 7.34 N ATOM 403 CA ASN A 24 -6.675 25.404 -8.627 1.00 7.23 C ATOM 404 C ASN A 24 -7.769 25.240 -9.666 1.00 7.18 C ATOM 405 O ASN A 24 -8.064 26.156 -10.432 1.00 9.90 O ATOM 406 CB ASN A 24 -5.781 26.620 -8.962 1.00 8.98 C ATOM 407 CG ASN A 24 -4.772 26.928 -7.893 1.00 9.69 C ATOM 408 OD1 ASN A 24 -4.823 26.421 -6.784 1.00 11.74 O ATOM 409 ND2 ASN A 24 -3.856 27.816 -8.209 1.00 11.12 N ATOM 410 HA ASN A 24 -7.160 25.597 -7.670 1.00 0.00 H ATOM 411 HB2 ASN A 24 -5.249 26.413 -9.891 1.00 0.00 H ATOM 412 HB3 ASN A 24 -6.420 27.493 -9.097 1.00 0.00 H ATOM 413 HD22 ASN A 24 -3.840 28.229 -9.163 1.00 0.00 H ATOM 414 HD21 ASN A 24 -3.147 28.105 -7.505 1.00 0.00 H ATOM 415 H ASN A 24 -5.873 23.749 -7.503 1.00 0.00 H ATOM 416 N HIS A 25 -8.368 24.064 -9.658 1.00 6.05 N ATOM 417 CA HIS A 25 -9.499 23.729 -10.527 1.00 5.74 C ATOM 418 C HIS A 25 -10.807 23.846 -9.795 1.00 5.95 C ATOM 419 O HIS A 25 -10.889 23.625 -8.572 1.00 8.25 O ATOM 420 CB HIS A 25 -9.319 22.301 -11.094 1.00 6.30 C ATOM 421 CG HIS A 25 -8.214 22.180 -12.070 1.00 6.07 C ATOM 422 ND1 HIS A 25 -7.661 20.982 -12.388 1.00 7.47 N ATOM 423 CD2 HIS A 25 -7.517 23.140 -12.767 1.00 7.91 C ATOM 424 CE1 HIS A 25 -6.709 21.192 -13.317 1.00 8.15 C ATOM 425 NE2 HIS A 25 -6.640 22.509 -13.563 1.00 8.16 N ATOM 426 HA HIS A 25 -9.520 24.442 -11.352 1.00 0.00 H ATOM 427 HB2 HIS A 25 -9.120 21.624 -10.263 1.00 0.00 H ATOM 428 HB3 HIS A 25 -10.246 22.007 -11.586 1.00 0.00 H ATOM 429 HD2 HIS A 25 -7.653 24.219 -12.687 1.00 0.00 H ATOM 430 HE1 HIS A 25 -6.098 20.422 -13.789 1.00 0.00 H ATOM 431 H HIS A 25 -8.019 23.337 -9.001 1.00 0.00 H ATOM 432 N ASN A 26 -11.853 24.169 -10.556 1.00 5.92 N ATOM 433 CA ASN A 26 -13.168 24.441 -9.973 1.00 5.66 C ATOM 434 C ASN A 26 -14.226 23.410 -10.373 1.00 4.53 C ATOM 435 O ASN A 26 -15.404 23.613 -10.059 1.00 5.75 O ATOM 436 CB ASN A 26 -13.671 25.852 -10.356 1.00 8.25 C ATOM 437 CG ASN A 26 -12.858 26.948 -9.731 1.00 11.71 C ATOM 438 OD1 ASN A 26 -12.329 27.804 -10.427 1.00 16.00 O ATOM 439 ND2 ASN A 26 -12.814 26.973 -8.414 1.00 17.30 N ATOM 440 HA ASN A 26 -13.027 24.378 -8.894 1.00 0.00 H ATOM 441 HB2 ASN A 26 -13.623 25.957 -11.440 1.00 0.00 H ATOM 442 HB3 ASN A 26 -14.705 25.955 -10.028 1.00 0.00 H ATOM 443 HD22 ASN A 26 -13.279 26.223 -7.864 1.00 0.00 H ATOM 444 HD21 ASN A 26 -12.314 27.743 -7.925 1.00 0.00 H ATOM 445 H ASN A 26 -11.732 24.229 -11.587 1.00 0.00 H ATOM 446 N TYR A 27 -13.806 22.329 -11.004 1.00 4.66 N ATOM 447 CA TYR A 27 -14.668 21.177 -11.263 1.00 4.61 C ATOM 448 C TYR A 27 -13.827 19.935 -10.986 1.00 4.52 C ATOM 449 O TYR A 27 -12.604 19.977 -11.146 1.00 6.06 O ATOM 450 CB TYR A 27 -15.144 21.123 -12.741 1.00 5.36 C ATOM 451 CG TYR A 27 -15.922 22.309 -13.194 1.00 5.44 C ATOM 452 CD1 TYR A 27 -17.305 22.316 -13.132 1.00 6.33 C ATOM 453 CD2 TYR A 27 -15.263 23.458 -13.647 1.00 5.66 C ATOM 454 CE1 TYR A 27 -18.022 23.441 -13.524 1.00 7.08 C ATOM 455 CE2 TYR A 27 -15.973 24.567 -14.052 1.00 6.28 C ATOM 456 CZ TYR A 27 -17.360 24.545 -13.971 1.00 6.78 C ATOM 457 OH TYR A 27 -18.130 25.629 -14.341 1.00 10.74 O ATOM 458 HA TYR A 27 -15.555 21.242 -10.633 1.00 0.00 H ATOM 459 HB3 TYR A 27 -15.771 20.240 -12.863 1.00 0.00 H ATOM 460 HB2 TYR A 27 -14.264 21.032 -13.377 1.00 0.00 H ATOM 461 HD2 TYR A 27 -14.174 23.475 -13.680 1.00 0.00 H ATOM 462 HE2 TYR A 27 -15.455 25.448 -14.430 1.00 0.00 H ATOM 463 HE1 TYR A 27 -19.111 23.440 -13.474 1.00 0.00 H ATOM 464 HD1 TYR A 27 -17.835 21.434 -12.774 1.00 0.00 H ATOM 465 HH TYR A 27 -19.087 25.413 -14.209 1.00 0.00 H ATOM 466 H TYR A 27 -12.819 22.296 -11.331 1.00 0.00 H ATOM 467 N ILE A 28 -14.484 18.842 -10.636 1.00 4.03 N ATOM 468 CA ILE A 28 -13.841 17.528 -10.546 1.00 4.22 C ATOM 469 C ILE A 28 -14.152 16.848 -11.877 1.00 3.65 C ATOM 470 O ILE A 28 -15.307 16.460 -12.143 1.00 4.29 O ATOM 471 CB ILE A 28 -14.376 16.704 -9.375 1.00 4.29 C ATOM 472 CG1 ILE A 28 -14.371 17.467 -8.048 1.00 4.86 C ATOM 473 CG2 ILE A 28 -13.548 15.418 -9.300 1.00 5.99 C ATOM 474 CD1 ILE A 28 -15.023 16.692 -6.933 1.00 5.65 C ATOM 475 HA ILE A 28 -12.770 17.623 -10.366 1.00 0.00 H ATOM 476 HB ILE A 28 -15.426 16.472 -9.551 1.00 0.00 H ATOM 477 HG12 ILE A 28 -13.338 17.678 -7.770 1.00 0.00 H ATOM 478 HG13 ILE A 28 -14.909 18.406 -8.182 1.00 0.00 H ATOM 479 HD11 ILE A 28 -16.060 16.482 -7.196 1.00 0.00 H ATOM 480 HD12 ILE A 28 -14.488 15.754 -6.783 1.00 0.00 H ATOM 481 HD13 ILE A 28 -14.991 17.281 -6.016 1.00 0.00 H ATOM 482 HG21 ILE A 28 -13.652 14.866 -10.234 1.00 0.00 H ATOM 483 HG22 ILE A 28 -12.500 15.671 -9.141 1.00 0.00 H ATOM 484 HG23 ILE A 28 -13.905 14.805 -8.472 1.00 0.00 H ATOM 485 H ILE A 28 -15.498 18.918 -10.416 1.00 0.00 H ATOM 486 N GLY A 29 -13.131 16.731 -12.700 1.00 3.87 N ATOM 487 CA GLY A 29 -13.273 16.079 -14.028 1.00 4.45 C ATOM 488 C GLY A 29 -12.805 14.658 -14.011 1.00 4.02 C ATOM 489 O GLY A 29 -12.240 14.151 -13.041 1.00 4.39 O ATOM 490 HA3 GLY A 29 -12.684 16.635 -14.757 1.00 0.00 H ATOM 491 HA2 GLY A 29 -14.323 16.100 -14.320 1.00 0.00 H ATOM 492 H GLY A 29 -12.203 17.104 -12.414 1.00 0.00 H ATOM 493 N THR A 30 -12.969 14.002 -15.158 1.00 4.47 N ATOM 494 CA THR A 30 -12.508 12.653 -15.291 1.00 4.74 C ATOM 495 C THR A 30 -11.015 12.528 -14.993 1.00 4.58 C ATOM 496 O THR A 30 -10.565 11.513 -14.461 1.00 4.50 O ATOM 497 CB THR A 30 -12.838 12.065 -16.689 1.00 4.98 C ATOM 498 OG1 THR A 30 -12.139 12.780 -17.696 1.00 4.81 O ATOM 499 CG2 THR A 30 -14.328 12.045 -16.961 1.00 5.69 C ATOM 500 HA THR A 30 -13.046 12.067 -14.546 1.00 0.00 H ATOM 501 HB THR A 30 -12.506 11.027 -16.703 1.00 0.00 H ATOM 502 HG1 THR A 30 -12.357 12.397 -18.583 1.00 0.00 H ATOM 503 HG23 THR A 30 -14.833 11.489 -16.171 1.00 0.00 H ATOM 504 HG21 THR A 30 -14.705 13.067 -16.986 1.00 0.00 H ATOM 505 HG22 THR A 30 -14.514 11.564 -17.921 1.00 0.00 H ATOM 506 H THR A 30 -13.434 14.472 -15.961 1.00 0.00 H ATOM 507 N GLU A 31 -10.236 13.549 -15.370 1.00 4.25 N ATOM 508 CA GLU A 31 -8.805 13.506 -15.107 1.00 4.40 C ATOM 509 C GLU A 31 -8.459 13.500 -13.618 1.00 3.87 C ATOM 510 O GLU A 31 -7.426 12.945 -13.229 1.00 4.07 O ATOM 511 CB GLU A 31 -8.058 14.612 -15.864 1.00 5.53 C ATOM 512 CG GLU A 31 -8.231 16.039 -15.294 1.00 5.76 C ATOM 513 CD GLU A 31 -9.529 16.741 -15.625 1.00 5.88 C ATOM 514 OE1 GLU A 31 -10.520 16.181 -16.103 1.00 5.71 O ATOM 515 OE2 GLU A 31 -9.484 18.008 -15.413 1.00 9.60 O ATOM 516 HA GLU A 31 -8.458 12.547 -15.492 1.00 0.00 H ATOM 517 HB2 GLU A 31 -6.995 14.371 -15.850 1.00 0.00 H ATOM 518 HB3 GLU A 31 -8.415 14.615 -16.894 1.00 0.00 H ATOM 519 HG2 GLU A 31 -8.156 15.975 -14.209 1.00 0.00 H ATOM 520 HG3 GLU A 31 -7.415 16.651 -15.678 1.00 0.00 H ATOM 521 H GLU A 31 -10.653 14.372 -15.850 1.00 0.00 H ATOM 522 N HIS A 32 -9.310 14.112 -12.802 1.00 4.12 N ATOM 523 CA HIS A 32 -9.081 14.085 -11.350 1.00 4.03 C ATOM 524 C HIS A 32 -9.437 12.740 -10.765 1.00 3.84 C ATOM 525 O HIS A 32 -8.773 12.295 -9.833 1.00 4.37 O ATOM 526 CB HIS A 32 -9.891 15.196 -10.686 1.00 4.44 C ATOM 527 CG HIS A 32 -9.556 16.545 -11.217 1.00 4.18 C ATOM 528 ND1 HIS A 32 -10.455 17.270 -11.943 1.00 4.59 N ATOM 529 CD2 HIS A 32 -8.398 17.271 -11.121 1.00 4.74 C ATOM 530 CE1 HIS A 32 -9.859 18.407 -12.297 1.00 5.56 C ATOM 531 NE2 HIS A 32 -8.606 18.438 -11.795 1.00 4.92 N ATOM 532 HA HIS A 32 -8.021 14.252 -11.160 1.00 0.00 H ATOM 533 HB2 HIS A 32 -10.951 15.006 -10.858 1.00 0.00 H ATOM 534 HB3 HIS A 32 -9.690 15.182 -9.615 1.00 0.00 H ATOM 535 HD2 HIS A 32 -7.485 16.973 -10.605 1.00 0.00 H ATOM 536 HE1 HIS A 32 -10.313 19.193 -12.900 1.00 0.00 H ATOM 537 H HIS A 32 -10.137 14.609 -13.190 1.00 0.00 H ATOM 538 N ILE A 33 -10.454 12.071 -11.334 1.00 4.22 N ATOM 539 CA ILE A 33 -10.735 10.681 -10.945 1.00 4.63 C ATOM 540 C ILE A 33 -9.517 9.821 -11.317 1.00 4.14 C ATOM 541 O ILE A 33 -9.086 9.000 -10.526 1.00 4.36 O ATOM 542 CB ILE A 33 -12.023 10.209 -11.626 1.00 4.77 C ATOM 543 CG1 ILE A 33 -13.234 11.001 -11.066 1.00 6.44 C ATOM 544 CG2 ILE A 33 -12.203 8.708 -11.348 1.00 5.99 C ATOM 545 CD1 ILE A 33 -14.548 10.688 -11.764 1.00 7.59 C ATOM 546 HA ILE A 33 -10.896 10.594 -9.871 1.00 0.00 H ATOM 547 HB ILE A 33 -11.961 10.381 -12.701 1.00 0.00 H ATOM 548 HG12 ILE A 33 -13.341 10.762 -10.008 1.00 0.00 H ATOM 549 HG13 ILE A 33 -13.030 12.066 -11.178 1.00 0.00 H ATOM 550 HD11 ILE A 33 -14.463 10.932 -12.823 1.00 0.00 H ATOM 551 HD12 ILE A 33 -14.774 9.628 -11.651 1.00 0.00 H ATOM 552 HD13 ILE A 33 -15.346 11.281 -11.316 1.00 0.00 H ATOM 553 HG21 ILE A 33 -11.349 8.161 -11.748 1.00 0.00 H ATOM 554 HG22 ILE A 33 -12.270 8.544 -10.272 1.00 0.00 H ATOM 555 HG23 ILE A 33 -13.117 8.358 -11.827 1.00 0.00 H ATOM 556 H ILE A 33 -11.044 12.538 -12.052 1.00 0.00 H ATOM 557 N LEU A 34 -8.940 10.007 -12.511 1.00 4.09 N ATOM 558 CA LEU A 34 -7.736 9.270 -12.903 1.00 4.12 C ATOM 559 C LEU A 34 -6.585 9.503 -11.924 1.00 3.87 C ATOM 560 O LEU A 34 -5.942 8.559 -11.462 1.00 5.02 O ATOM 561 CB LEU A 34 -7.365 9.616 -14.331 1.00 4.76 C ATOM 562 CG LEU A 34 -6.131 8.907 -14.883 1.00 5.19 C ATOM 563 CD1 LEU A 34 -6.264 7.376 -14.818 1.00 7.42 C ATOM 564 CD2 LEU A 34 -5.831 9.384 -16.278 1.00 6.34 C ATOM 565 HA LEU A 34 -7.949 8.202 -12.861 1.00 0.00 H ATOM 566 HB2 LEU A 34 -8.212 9.361 -14.969 1.00 0.00 H ATOM 567 HB3 LEU A 34 -7.185 10.690 -14.380 1.00 0.00 H ATOM 568 HG LEU A 34 -5.285 9.167 -14.247 1.00 0.00 H ATOM 569 HD21 LEU A 34 -6.682 9.171 -16.925 1.00 0.00 H ATOM 570 HD22 LEU A 34 -5.646 10.458 -16.261 1.00 0.00 H ATOM 571 HD23 LEU A 34 -4.948 8.868 -16.655 1.00 0.00 H ATOM 572 HD11 LEU A 34 -6.397 7.068 -13.781 1.00 0.00 H ATOM 573 HD12 LEU A 34 -7.127 7.062 -15.405 1.00 0.00 H ATOM 574 HD13 LEU A 34 -5.362 6.917 -15.222 1.00 0.00 H ATOM 575 H LEU A 34 -9.356 10.690 -13.175 1.00 0.00 H ATOM 576 N LEU A 35 -6.305 10.775 -11.610 1.00 4.23 N ATOM 577 CA LEU A 35 -5.279 11.092 -10.634 1.00 4.45 C ATOM 578 C LEU A 35 -5.570 10.423 -9.307 1.00 4.55 C ATOM 579 O LEU A 35 -4.637 9.857 -8.663 1.00 5.87 O ATOM 580 CB LEU A 35 -5.150 12.600 -10.459 1.00 5.38 C ATOM 581 CG LEU A 35 -4.507 13.363 -11.639 1.00 5.94 C ATOM 582 CD1 LEU A 35 -4.779 14.853 -11.490 1.00 7.07 C ATOM 583 CD2 LEU A 35 -2.999 13.115 -11.682 1.00 7.09 C ATOM 584 HA LEU A 35 -4.329 10.708 -11.006 1.00 0.00 H ATOM 585 HB2 LEU A 35 -6.150 13.005 -10.304 1.00 0.00 H ATOM 586 HB3 LEU A 35 -4.543 12.783 -9.572 1.00 0.00 H ATOM 587 HG LEU A 35 -4.944 13.002 -12.570 1.00 0.00 H ATOM 588 HD21 LEU A 35 -2.549 13.459 -10.751 1.00 0.00 H ATOM 589 HD22 LEU A 35 -2.811 12.049 -11.806 1.00 0.00 H ATOM 590 HD23 LEU A 35 -2.566 13.661 -12.520 1.00 0.00 H ATOM 591 HD11 LEU A 35 -5.855 15.026 -11.488 1.00 0.00 H ATOM 592 HD12 LEU A 35 -4.351 15.207 -10.552 1.00 0.00 H ATOM 593 HD13 LEU A 35 -4.325 15.389 -12.323 1.00 0.00 H ATOM 594 H LEU A 35 -6.830 11.545 -12.072 1.00 0.00 H ATOM 595 N GLY A 36 -6.820 10.472 -8.830 1.00 4.84 N ATOM 596 CA GLY A 36 -7.153 9.856 -7.553 1.00 6.58 C ATOM 597 C GLY A 36 -6.983 8.355 -7.565 1.00 6.10 C ATOM 598 O GLY A 36 -6.543 7.788 -6.577 1.00 7.26 O ATOM 599 HA3 GLY A 36 -8.191 10.087 -7.315 1.00 0.00 H ATOM 600 HA2 GLY A 36 -6.503 10.274 -6.784 1.00 0.00 H ATOM 601 H GLY A 36 -7.561 10.955 -9.377 1.00 0.00 H ATOM 602 N LEU A 37 -7.323 7.688 -8.673 1.00 5.53 N ATOM 603 CA LEU A 37 -7.161 6.254 -8.753 1.00 6.73 C ATOM 604 C LEU A 37 -5.701 5.864 -8.589 1.00 6.44 C ATOM 605 O LEU A 37 -5.366 4.847 -7.920 1.00 8.57 O ATOM 606 CB LEU A 37 -7.657 5.740 -10.110 1.00 6.84 C ATOM 607 CG LEU A 37 -9.183 5.712 -10.268 1.00 7.20 C ATOM 608 CD1 LEU A 37 -9.552 5.586 -11.727 1.00 8.64 C ATOM 609 CD2 LEU A 37 -9.852 4.570 -9.483 1.00 8.14 C ATOM 610 HA LEU A 37 -7.746 5.808 -7.949 1.00 0.00 H ATOM 611 HB2 LEU A 37 -7.247 6.384 -10.888 1.00 0.00 H ATOM 612 HB3 LEU A 37 -7.283 4.725 -10.246 1.00 0.00 H ATOM 613 HG LEU A 37 -9.550 6.652 -9.857 1.00 0.00 H ATOM 614 HD21 LEU A 37 -9.466 3.614 -9.836 1.00 0.00 H ATOM 615 HD22 LEU A 37 -9.632 4.683 -8.421 1.00 0.00 H ATOM 616 HD23 LEU A 37 -10.930 4.607 -9.638 1.00 0.00 H ATOM 617 HD11 LEU A 37 -9.151 6.437 -12.277 1.00 0.00 H ATOM 618 HD12 LEU A 37 -9.133 4.663 -12.128 1.00 0.00 H ATOM 619 HD13 LEU A 37 -10.637 5.567 -11.826 1.00 0.00 H ATOM 620 H LEU A 37 -7.709 8.207 -9.487 1.00 0.00 H ATOM 621 N ILE A 38 -4.802 6.621 -9.224 1.00 6.07 N ATOM 622 CA ILE A 38 -3.380 6.346 -9.126 1.00 7.01 C ATOM 623 C ILE A 38 -2.861 6.724 -7.753 1.00 7.97 C ATOM 624 O ILE A 38 -2.154 5.945 -7.101 1.00 10.35 O ATOM 625 CB ILE A 38 -2.629 7.116 -10.215 1.00 6.91 C ATOM 626 CG1 ILE A 38 -3.059 6.619 -11.595 1.00 7.39 C ATOM 627 CG2 ILE A 38 -1.112 6.993 -10.017 1.00 9.09 C ATOM 628 CD1 ILE A 38 -2.576 7.509 -12.728 1.00 9.02 C ATOM 629 HA ILE A 38 -3.214 5.278 -9.270 1.00 0.00 H ATOM 630 HB ILE A 38 -2.881 8.174 -10.142 1.00 0.00 H ATOM 631 HG12 ILE A 38 -2.655 5.618 -11.744 1.00 0.00 H ATOM 632 HG13 ILE A 38 -4.148 6.579 -11.625 1.00 0.00 H ATOM 633 HD11 ILE A 38 -2.981 8.513 -12.598 1.00 0.00 H ATOM 634 HD12 ILE A 38 -1.487 7.551 -12.717 1.00 0.00 H ATOM 635 HD13 ILE A 38 -2.915 7.100 -13.680 1.00 0.00 H ATOM 636 HG21 ILE A 38 -0.840 7.401 -9.044 1.00 0.00 H ATOM 637 HG22 ILE A 38 -0.825 5.943 -10.065 1.00 0.00 H ATOM 638 HG23 ILE A 38 -0.598 7.548 -10.802 1.00 0.00 H ATOM 639 H ILE A 38 -5.127 7.423 -9.800 1.00 0.00 H ATOM 640 N HIS A 39 -3.171 7.935 -7.285 1.00 8.02 N ATOM 641 CA HIS A 39 -2.587 8.462 -6.069 1.00 10.29 C ATOM 642 C HIS A 39 -3.002 7.671 -4.873 1.00 11.95 C ATOM 643 O HIS A 39 -2.217 7.549 -3.929 1.00 14.67 O ATOM 644 CB HIS A 39 -2.931 9.937 -5.949 1.00 10.43 C ATOM 645 CG HIS A 39 -2.000 10.740 -5.131 1.00 11.53 C ATOM 646 ND1 HIS A 39 -2.199 12.078 -4.975 1.00 14.41 N ATOM 647 CD2 HIS A 39 -0.848 10.421 -4.450 1.00 14.91 C ATOM 648 CE1 HIS A 39 -1.235 12.586 -4.204 1.00 19.51 C ATOM 649 NE2 HIS A 39 -0.401 11.560 -3.871 1.00 18.46 N ATOM 650 HA HIS A 39 -1.502 8.370 -6.117 1.00 0.00 H ATOM 651 HB2 HIS A 39 -2.949 10.361 -6.953 1.00 0.00 H ATOM 652 HB3 HIS A 39 -3.923 10.016 -5.505 1.00 0.00 H ATOM 653 HD2 HIS A 39 -0.383 9.437 -4.388 1.00 0.00 H ATOM 654 HE1 HIS A 39 -1.133 13.627 -3.898 1.00 0.00 H ATOM 655 H HIS A 39 -3.853 8.518 -7.810 1.00 0.00 H ATOM 656 N GLU A 40 -4.199 7.094 -4.850 1.00 11.47 N ATOM 657 CA GLU A 40 -4.512 6.328 -3.662 1.00 11.30 C ATOM 658 C GLU A 40 -3.646 5.091 -3.547 1.00 14.42 C ATOM 659 O GLU A 40 -3.424 4.671 -2.431 1.00 18.75 O ATOM 660 CB GLU A 40 -5.948 5.955 -3.671 1.00 9.49 C ATOM 661 CG GLU A 40 -6.311 5.051 -2.520 1.00 9.68 C ATOM 662 CD GLU A 40 -6.475 5.806 -1.253 1.00 10.02 C ATOM 663 OE1 GLU A 40 -6.421 7.047 -1.259 1.00 11.36 O ATOM 664 OE2 GLU A 40 -6.645 5.135 -0.229 1.00 12.16 O ATOM 665 HA GLU A 40 -4.304 6.952 -2.793 1.00 0.00 H ATOM 666 HB2 GLU A 40 -6.547 6.863 -3.606 1.00 0.00 H ATOM 667 HB3 GLU A 40 -6.171 5.440 -4.605 1.00 0.00 H ATOM 668 HG2 GLU A 40 -7.247 4.544 -2.752 1.00 0.00 H ATOM 669 HG3 GLU A 40 -5.521 4.311 -2.390 1.00 0.00 H ATOM 670 H GLU A 40 -4.871 7.187 -5.638 1.00 0.00 H ATOM 671 N GLY A 41 -3.126 4.549 -4.651 1.00 17.28 N ATOM 672 CA GLY A 41 -2.020 3.603 -4.573 1.00 20.66 C ATOM 673 C GLY A 41 -2.135 2.166 -4.122 1.00 20.97 C ATOM 674 O GLY A 41 -1.100 1.552 -3.866 1.00 29.86 O ATOM 675 HA3 GLY A 41 -1.294 4.061 -3.901 1.00 0.00 H ATOM 676 HA2 GLY A 41 -1.605 3.559 -5.580 1.00 0.00 H ATOM 677 H GLY A 41 -3.516 4.806 -5.580 1.00 0.00 H ATOM 678 N GLU A 42 -3.332 1.600 -3.970 1.00 20.12 N ATOM 679 CA GLU A 42 -3.519 0.209 -3.366 1.00 21.56 C ATOM 680 C GLU A 42 -4.419 -0.897 -4.029 1.00 18.53 C ATOM 681 O GLU A 42 -4.194 -2.120 -3.996 1.00 28.93 O ATOM 682 CB GLU A 42 -3.976 0.368 -1.919 1.00 21.99 C ATOM 683 CG GLU A 42 -2.885 0.853 -0.977 1.00 25.20 C ATOM 684 CD GLU A 42 -3.289 0.796 0.488 1.00 34.02 C ATOM 685 OE1 GLU A 42 -2.393 0.886 1.359 1.00 55.18 O ATOM 686 OE2 GLU A 42 -4.497 0.637 0.779 1.00 44.18 O ATOM 687 HA GLU A 42 -2.525 -0.204 -3.540 1.00 0.00 H ATOM 688 HB2 GLU A 42 -4.795 1.087 -1.895 1.00 0.00 H ATOM 689 HB3 GLU A 42 -4.332 -0.599 -1.563 1.00 0.00 H ATOM 690 HG2 GLU A 42 -2.003 0.229 -1.118 1.00 0.00 H ATOM 691 HG3 GLU A 42 -2.642 1.885 -1.230 1.00 0.00 H ATOM 692 H GLU A 42 -4.175 2.128 -4.275 1.00 0.00 H ATOM 693 N GLY A 43 -5.454 -0.387 -4.622 1.00 13.98 N ATOM 694 CA GLY A 43 -6.528 -1.122 -5.252 1.00 11.66 C ATOM 695 C GLY A 43 -6.185 -1.620 -6.637 1.00 8.53 C ATOM 696 O GLY A 43 -5.109 -1.358 -7.232 1.00 9.54 O ATOM 697 HA3 GLY A 43 -7.397 -0.469 -5.325 1.00 0.00 H ATOM 698 HA2 GLY A 43 -6.772 -1.981 -4.627 1.00 0.00 H ATOM 699 H GLY A 43 -5.517 0.651 -4.647 1.00 0.00 H ATOM 700 N VAL A 44 -7.138 -2.340 -7.215 1.00 8.64 N ATOM 701 CA VAL A 44 -6.919 -2.920 -8.532 1.00 7.92 C ATOM 702 C VAL A 44 -6.756 -1.864 -9.618 1.00 7.53 C ATOM 703 O VAL A 44 -5.992 -2.077 -10.569 1.00 7.95 O ATOM 704 CB VAL A 44 -8.078 -3.876 -8.881 1.00 9.82 C ATOM 705 CG1 VAL A 44 -7.971 -4.431 -10.297 1.00 10.19 C ATOM 706 CG2 VAL A 44 -8.130 -5.004 -7.836 1.00 12.77 C ATOM 707 HA VAL A 44 -5.982 -3.476 -8.492 1.00 0.00 H ATOM 708 HB VAL A 44 -9.010 -3.311 -8.853 1.00 0.00 H ATOM 709 HG11 VAL A 44 -7.988 -3.607 -11.011 1.00 0.00 H ATOM 710 HG12 VAL A 44 -7.037 -4.983 -10.400 1.00 0.00 H ATOM 711 HG13 VAL A 44 -8.812 -5.097 -10.489 1.00 0.00 H ATOM 712 HG21 VAL A 44 -7.187 -5.550 -7.846 1.00 0.00 H ATOM 713 HG22 VAL A 44 -8.292 -4.575 -6.847 1.00 0.00 H ATOM 714 HG23 VAL A 44 -8.947 -5.683 -8.077 1.00 0.00 H ATOM 715 H VAL A 44 -8.043 -2.490 -6.726 1.00 0.00 H ATOM 716 N ALA A 45 -7.438 -0.722 -9.493 1.00 7.09 N ATOM 717 CA ALA A 45 -7.223 0.323 -10.507 1.00 6.81 C ATOM 718 C ALA A 45 -5.787 0.847 -10.518 1.00 6.08 C ATOM 719 O ALA A 45 -5.148 0.937 -11.559 1.00 6.80 O ATOM 720 CB ALA A 45 -8.174 1.494 -10.286 1.00 7.12 C ATOM 721 HA ALA A 45 -7.421 -0.145 -11.471 1.00 0.00 H ATOM 722 HB1 ALA A 45 -9.203 1.142 -10.355 1.00 0.00 H ATOM 723 HB2 ALA A 45 -8.000 1.920 -9.298 1.00 0.00 H ATOM 724 HB3 ALA A 45 -7.996 2.253 -11.047 1.00 0.00 H ATOM 725 H ALA A 45 -8.100 -0.576 -8.704 1.00 0.00 H ATOM 726 N ALA A 46 -5.253 1.173 -9.341 1.00 6.66 N ATOM 727 CA ALA A 46 -3.860 1.632 -9.231 1.00 7.64 C ATOM 728 C ALA A 46 -2.924 0.584 -9.796 1.00 6.50 C ATOM 729 O ALA A 46 -1.970 0.903 -10.525 1.00 7.92 O ATOM 730 CB ALA A 46 -3.502 1.948 -7.799 1.00 8.51 C ATOM 731 HA ALA A 46 -3.754 2.550 -9.809 1.00 0.00 H ATOM 732 HB1 ALA A 46 -4.159 2.734 -7.427 1.00 0.00 H ATOM 733 HB2 ALA A 46 -3.623 1.053 -7.189 1.00 0.00 H ATOM 734 HB3 ALA A 46 -2.466 2.285 -7.751 1.00 0.00 H ATOM 735 H ALA A 46 -5.834 1.101 -8.482 1.00 0.00 H ATOM 736 N LYS A 47 -3.148 -0.695 -9.440 1.00 7.50 N ATOM 737 CA LYS A 47 -2.275 -1.750 -9.909 1.00 7.94 C ATOM 738 C LYS A 47 -2.336 -1.841 -11.446 1.00 7.20 C ATOM 739 O LYS A 47 -1.316 -2.043 -12.128 1.00 8.23 O ATOM 740 CB LYS A 47 -2.706 -3.088 -9.270 1.00 8.89 C ATOM 741 CG LYS A 47 -1.874 -4.278 -9.713 1.00 9.70 C ATOM 742 CD LYS A 47 -0.460 -4.149 -9.204 1.00 12.69 C ATOM 743 CE LYS A 47 0.272 -5.482 -9.200 1.00 15.30 C ATOM 744 NZ LYS A 47 1.721 -5.215 -9.060 1.00 20.62 N ATOM 745 HA LYS A 47 -1.247 -1.531 -9.620 1.00 0.00 H ATOM 746 HB2 LYS A 47 -2.622 -2.994 -8.187 1.00 0.00 H ATOM 747 HB3 LYS A 47 -3.746 -3.277 -9.537 1.00 0.00 H ATOM 748 HG2 LYS A 47 -2.316 -5.193 -9.318 1.00 0.00 H ATOM 749 HG3 LYS A 47 -1.861 -4.323 -10.802 1.00 0.00 H ATOM 750 HD2 LYS A 47 0.082 -3.452 -9.844 1.00 0.00 H ATOM 751 HD3 LYS A 47 -0.487 -3.760 -8.186 1.00 0.00 H ATOM 752 HE2 LYS A 47 0.083 -6.010 -10.135 1.00 0.00 H ATOM 753 HE3 LYS A 47 -0.074 -6.090 -8.364 1.00 0.00 H ATOM 754 HZ1 LYS A 47 2.044 -4.632 -9.859 1.00 0.00 H ATOM 755 HZ2 LYS A 47 1.894 -4.709 -8.168 1.00 0.00 H ATOM 756 HZ3 LYS A 47 2.240 -6.117 -9.055 1.00 0.00 H ATOM 757 H LYS A 47 -3.953 -0.926 -8.824 1.00 0.00 H ATOM 758 N SER A 48 -3.546 -1.754 -11.988 1.00 7.04 N ATOM 759 CA SER A 48 -3.734 -1.887 -13.415 1.00 7.73 C ATOM 760 C SER A 48 -2.999 -0.760 -14.164 1.00 7.21 C ATOM 761 O SER A 48 -2.309 -0.975 -15.161 1.00 9.46 O ATOM 762 CB SER A 48 -5.221 -1.841 -13.787 1.00 8.32 C ATOM 763 OG SER A 48 -5.951 -2.965 -13.273 1.00 9.91 O ATOM 764 HA SER A 48 -3.324 -2.854 -13.707 1.00 0.00 H ATOM 765 HB2 SER A 48 -5.310 -1.833 -14.873 1.00 0.00 H ATOM 766 HB3 SER A 48 -5.655 -0.927 -13.382 1.00 0.00 H ATOM 767 HG SER A 48 -5.883 -2.977 -12.285 1.00 0.00 H ATOM 768 H SER A 48 -4.370 -1.588 -11.376 1.00 0.00 H ATOM 769 N LEU A 49 -3.133 0.462 -13.684 1.00 6.69 N ATOM 770 CA LEU A 49 -2.485 1.617 -14.318 1.00 7.17 C ATOM 771 C LEU A 49 -0.967 1.546 -14.194 1.00 7.31 C ATOM 772 O LEU A 49 -0.253 1.769 -15.177 1.00 8.75 O ATOM 773 CB LEU A 49 -3.048 2.909 -13.696 1.00 7.28 C ATOM 774 CG LEU A 49 -4.524 3.132 -14.081 1.00 7.71 C ATOM 775 CD1 LEU A 49 -5.198 4.153 -13.160 1.00 8.00 C ATOM 776 CD2 LEU A 49 -4.664 3.562 -15.548 1.00 9.21 C ATOM 777 HA LEU A 49 -2.705 1.611 -15.386 1.00 0.00 H ATOM 778 HB2 LEU A 49 -2.972 2.841 -12.611 1.00 0.00 H ATOM 779 HB3 LEU A 49 -2.459 3.756 -14.048 1.00 0.00 H ATOM 780 HG LEU A 49 -5.032 2.176 -13.956 1.00 0.00 H ATOM 781 HD21 LEU A 49 -4.121 4.494 -15.705 1.00 0.00 H ATOM 782 HD22 LEU A 49 -4.252 2.786 -16.194 1.00 0.00 H ATOM 783 HD23 LEU A 49 -5.718 3.710 -15.783 1.00 0.00 H ATOM 784 HD11 LEU A 49 -5.160 3.793 -12.132 1.00 0.00 H ATOM 785 HD12 LEU A 49 -4.675 5.107 -13.232 1.00 0.00 H ATOM 786 HD13 LEU A 49 -6.237 4.283 -13.463 1.00 0.00 H ATOM 787 H LEU A 49 -3.713 0.611 -12.834 1.00 0.00 H ATOM 788 N GLU A 50 -0.460 1.175 -13.017 1.00 8.57 N ATOM 789 CA GLU A 50 0.987 1.008 -12.849 1.00 8.92 C ATOM 790 C GLU A 50 1.528 -0.055 -13.829 1.00 7.96 C ATOM 791 O GLU A 50 2.596 0.112 -14.437 1.00 9.35 O ATOM 792 CB GLU A 50 1.292 0.583 -11.423 1.00 10.89 C ATOM 793 CG GLU A 50 2.763 0.342 -11.063 1.00 14.90 C ATOM 794 CD GLU A 50 2.924 -0.263 -9.680 1.00 23.37 C ATOM 795 OE1 GLU A 50 1.968 -0.870 -9.118 1.00 30.46 O ATOM 796 OE2 GLU A 50 4.024 -0.137 -9.168 1.00 36.78 O ATOM 797 HA GLU A 50 1.473 1.961 -13.060 1.00 0.00 H ATOM 798 HB2 GLU A 50 0.915 1.362 -10.761 1.00 0.00 H ATOM 799 HB3 GLU A 50 0.752 -0.345 -11.234 1.00 0.00 H ATOM 800 HG2 GLU A 50 3.197 -0.338 -11.796 1.00 0.00 H ATOM 801 HG3 GLU A 50 3.293 1.294 -11.094 1.00 0.00 H ATOM 802 H GLU A 50 -1.096 1.003 -12.212 1.00 0.00 H ATOM 803 N SER A 51 0.757 -1.136 -13.992 1.00 7.59 N ATOM 804 CA SER A 51 1.195 -2.256 -14.808 1.00 8.39 C ATOM 805 C SER A 51 1.107 -1.954 -16.293 1.00 10.17 C ATOM 806 O SER A 51 1.474 -2.837 -17.067 1.00 16.08 O ATOM 807 CB SER A 51 0.409 -3.517 -14.450 1.00 10.63 C ATOM 808 OG SER A 51 -0.952 -3.469 -14.875 1.00 9.56 O ATOM 809 HA SER A 51 2.248 -2.430 -14.588 1.00 0.00 H ATOM 810 HB2 SER A 51 0.430 -3.643 -13.368 1.00 0.00 H ATOM 811 HB3 SER A 51 0.891 -4.372 -14.924 1.00 0.00 H ATOM 812 HG SER A 51 -1.404 -2.701 -14.444 1.00 0.00 H ATOM 813 H SER A 51 -0.172 -1.176 -13.527 1.00 0.00 H ATOM 814 N LEU A 52 0.528 -0.813 -16.682 1.00 8.11 N ATOM 815 CA LEU A 52 0.506 -0.314 -18.075 1.00 9.47 C ATOM 816 C LEU A 52 1.476 0.849 -18.268 1.00 10.27 C ATOM 817 O LEU A 52 1.501 1.437 -19.347 1.00 14.65 O ATOM 818 CB LEU A 52 -0.923 0.107 -18.417 1.00 10.73 C ATOM 819 CG LEU A 52 -1.861 -1.116 -18.520 1.00 10.89 C ATOM 820 CD1 LEU A 52 -3.289 -0.630 -18.699 1.00 18.33 C ATOM 821 CD2 LEU A 52 -1.432 -2.054 -19.656 1.00 16.04 C ATOM 822 HA LEU A 52 0.829 -1.109 -18.747 1.00 0.00 H ATOM 823 HB2 LEU A 52 -1.293 0.773 -17.638 1.00 0.00 H ATOM 824 HB3 LEU A 52 -0.919 0.633 -19.372 1.00 0.00 H ATOM 825 HG LEU A 52 -1.799 -1.697 -17.600 1.00 0.00 H ATOM 826 HD21 LEU A 52 -1.461 -1.514 -20.602 1.00 0.00 H ATOM 827 HD22 LEU A 52 -0.418 -2.409 -19.469 1.00 0.00 H ATOM 828 HD23 LEU A 52 -2.113 -2.904 -19.701 1.00 0.00 H ATOM 829 HD11 LEU A 52 -3.573 -0.019 -17.842 1.00 0.00 H ATOM 830 HD12 LEU A 52 -3.358 -0.035 -19.610 1.00 0.00 H ATOM 831 HD13 LEU A 52 -3.957 -1.488 -18.772 1.00 0.00 H ATOM 832 H LEU A 52 0.060 -0.236 -15.954 1.00 0.00 H ATOM 833 N GLY A 53 2.244 1.190 -17.240 1.00 10.73 N ATOM 834 CA GLY A 53 3.198 2.325 -17.354 1.00 12.51 C ATOM 835 C GLY A 53 2.556 3.695 -17.318 1.00 11.45 C ATOM 836 O GLY A 53 3.156 4.660 -17.825 1.00 14.17 O ATOM 837 HA3 GLY A 53 3.734 2.225 -18.298 1.00 0.00 H ATOM 838 HA2 GLY A 53 3.905 2.259 -16.527 1.00 0.00 H ATOM 839 H GLY A 53 2.178 0.659 -16.348 1.00 0.00 H ATOM 840 N ILE A 54 1.388 3.806 -16.685 1.00 9.66 N ATOM 841 CA ILE A 54 0.718 5.087 -16.499 1.00 9.46 C ATOM 842 C ILE A 54 1.021 5.576 -15.088 1.00 9.38 C ATOM 843 O ILE A 54 0.454 5.063 -14.118 1.00 12.26 O ATOM 844 CB ILE A 54 -0.802 4.925 -16.700 1.00 9.87 C ATOM 845 CG1 ILE A 54 -1.110 4.347 -18.092 1.00 11.56 C ATOM 846 CG2 ILE A 54 -1.513 6.272 -16.462 1.00 10.32 C ATOM 847 CD1 ILE A 54 -0.648 5.228 -19.219 1.00 13.91 C ATOM 848 HA ILE A 54 1.076 5.812 -17.230 1.00 0.00 H ATOM 849 HB ILE A 54 -1.185 4.213 -15.968 1.00 0.00 H ATOM 850 HG12 ILE A 54 -0.614 3.381 -18.183 1.00 0.00 H ATOM 851 HG13 ILE A 54 -2.188 4.210 -18.179 1.00 0.00 H ATOM 852 HD11 ILE A 54 -1.144 6.196 -19.148 1.00 0.00 H ATOM 853 HD12 ILE A 54 0.431 5.365 -19.152 1.00 0.00 H ATOM 854 HD13 ILE A 54 -0.897 4.759 -20.171 1.00 0.00 H ATOM 855 HG21 ILE A 54 -1.320 6.608 -15.443 1.00 0.00 H ATOM 856 HG22 ILE A 54 -1.134 7.011 -17.168 1.00 0.00 H ATOM 857 HG23 ILE A 54 -2.586 6.146 -16.607 1.00 0.00 H ATOM 858 H ILE A 54 0.938 2.947 -16.310 1.00 0.00 H ATOM 859 N SER A 55 1.886 6.580 -14.986 1.00 9.15 N ATOM 860 CA SER A 55 2.309 7.064 -13.668 1.00 9.46 C ATOM 861 C SER A 55 1.605 8.354 -13.321 1.00 8.12 C ATOM 862 O SER A 55 1.084 9.108 -14.201 1.00 8.61 O ATOM 863 CB SER A 55 3.816 7.306 -13.578 1.00 11.31 C ATOM 864 OG SER A 55 4.189 8.515 -14.200 1.00 11.49 O ATOM 865 HA SER A 55 2.042 6.276 -12.964 1.00 0.00 H ATOM 866 HB2 SER A 55 4.336 6.482 -14.067 1.00 0.00 H ATOM 867 HB3 SER A 55 4.106 7.345 -12.528 1.00 0.00 H ATOM 868 HG SER A 55 5.168 8.637 -14.122 1.00 0.00 H ATOM 869 H SER A 55 2.265 7.025 -15.846 1.00 0.00 H ATOM 870 N LEU A 56 1.644 8.663 -12.030 1.00 7.95 N ATOM 871 CA LEU A 56 1.055 9.907 -11.568 1.00 7.86 C ATOM 872 C LEU A 56 1.694 11.095 -12.256 1.00 7.49 C ATOM 873 O LEU A 56 1.031 12.068 -12.606 1.00 8.05 O ATOM 874 CB LEU A 56 1.188 9.995 -10.049 1.00 8.90 C ATOM 875 CG LEU A 56 0.336 11.034 -9.340 1.00 10.24 C ATOM 876 CD1 LEU A 56 -1.138 10.718 -9.459 1.00 11.83 C ATOM 877 CD2 LEU A 56 0.718 11.017 -7.862 1.00 12.72 C ATOM 878 HA LEU A 56 -0.004 9.924 -11.825 1.00 0.00 H ATOM 879 HB2 LEU A 56 0.926 9.020 -9.639 1.00 0.00 H ATOM 880 HB3 LEU A 56 2.231 10.215 -9.822 1.00 0.00 H ATOM 881 HG LEU A 56 0.512 12.008 -9.796 1.00 0.00 H ATOM 882 HD21 LEU A 56 0.529 10.026 -7.450 1.00 0.00 H ATOM 883 HD22 LEU A 56 1.776 11.259 -7.759 1.00 0.00 H ATOM 884 HD23 LEU A 56 0.121 11.755 -7.325 1.00 0.00 H ATOM 885 HD11 LEU A 56 -1.421 10.700 -10.512 1.00 0.00 H ATOM 886 HD12 LEU A 56 -1.337 9.744 -9.011 1.00 0.00 H ATOM 887 HD13 LEU A 56 -1.715 11.483 -8.940 1.00 0.00 H ATOM 888 H LEU A 56 2.095 8.016 -11.352 1.00 0.00 H ATOM 889 N GLU A 57 3.022 11.035 -12.468 1.00 8.15 N ATOM 890 CA GLU A 57 3.726 12.151 -13.120 1.00 8.65 C ATOM 891 C GLU A 57 3.346 12.299 -14.594 1.00 7.74 C ATOM 892 O GLU A 57 3.180 13.422 -15.099 1.00 8.76 O ATOM 893 CB GLU A 57 5.230 11.970 -12.959 1.00 10.17 C ATOM 894 CG GLU A 57 5.702 12.332 -11.553 1.00 10.97 C ATOM 895 CD GLU A 57 5.512 13.798 -11.267 1.00 10.41 C ATOM 896 OE1 GLU A 57 6.113 14.644 -11.980 1.00 12.44 O ATOM 897 OE2 GLU A 57 4.694 14.140 -10.397 1.00 13.19 O ATOM 898 HA GLU A 57 3.418 13.074 -12.629 1.00 0.00 H ATOM 899 HB2 GLU A 57 5.483 10.929 -13.158 1.00 0.00 H ATOM 900 HB3 GLU A 57 5.741 12.611 -13.678 1.00 0.00 H ATOM 901 HG2 GLU A 57 5.131 11.752 -10.827 1.00 0.00 H ATOM 902 HG3 GLU A 57 6.760 12.087 -11.460 1.00 0.00 H ATOM 903 H GLU A 57 3.555 10.193 -12.169 1.00 0.00 H ATOM 904 N GLY A 58 3.180 11.154 -15.288 1.00 8.78 N ATOM 905 CA GLY A 58 2.768 11.209 -16.680 1.00 8.66 C ATOM 906 C GLY A 58 1.400 11.873 -16.817 1.00 7.30 C ATOM 907 O GLY A 58 1.161 12.708 -17.700 1.00 8.36 O ATOM 908 HA3 GLY A 58 2.714 10.195 -17.077 1.00 0.00 H ATOM 909 HA2 GLY A 58 3.502 11.782 -17.247 1.00 0.00 H ATOM 910 H GLY A 58 3.346 10.236 -14.828 1.00 0.00 H ATOM 911 N VAL A 59 0.475 11.483 -15.932 1.00 6.73 N ATOM 912 CA VAL A 59 -0.841 12.066 -15.959 1.00 6.38 C ATOM 913 C VAL A 59 -0.810 13.549 -15.593 1.00 5.95 C ATOM 914 O VAL A 59 -1.436 14.354 -16.275 1.00 7.25 O ATOM 915 CB VAL A 59 -1.801 11.300 -15.054 1.00 6.59 C ATOM 916 CG1 VAL A 59 -3.180 11.962 -14.998 1.00 7.45 C ATOM 917 CG2 VAL A 59 -1.970 9.860 -15.532 1.00 7.24 C ATOM 918 HA VAL A 59 -1.208 11.990 -16.983 1.00 0.00 H ATOM 919 HB VAL A 59 -1.362 11.310 -14.056 1.00 0.00 H ATOM 920 HG11 VAL A 59 -3.079 12.976 -14.611 1.00 0.00 H ATOM 921 HG12 VAL A 59 -3.607 11.995 -16.000 1.00 0.00 H ATOM 922 HG13 VAL A 59 -3.832 11.385 -14.343 1.00 0.00 H ATOM 923 HG21 VAL A 59 -2.369 9.860 -16.546 1.00 0.00 H ATOM 924 HG22 VAL A 59 -1.002 9.359 -15.521 1.00 0.00 H ATOM 925 HG23 VAL A 59 -2.659 9.337 -14.869 1.00 0.00 H ATOM 926 H VAL A 59 0.707 10.758 -15.224 1.00 0.00 H ATOM 927 N ARG A 60 -0.054 13.909 -14.553 1.00 6.23 N ATOM 928 CA ARG A 60 0.040 15.313 -14.156 1.00 7.41 C ATOM 929 C ARG A 60 0.561 16.175 -15.315 1.00 6.44 C ATOM 930 O ARG A 60 0.022 17.250 -15.544 1.00 7.96 O ATOM 931 CB ARG A 60 0.945 15.436 -12.920 1.00 7.95 C ATOM 932 CG ARG A 60 0.379 14.895 -11.611 1.00 10.23 C ATOM 933 CD ARG A 60 1.274 15.324 -10.447 1.00 11.97 C ATOM 934 NE ARG A 60 0.842 14.752 -9.173 1.00 16.88 N ATOM 935 CZ ARG A 60 -0.288 15.062 -8.541 1.00 19.72 C ATOM 936 NH1 ARG A 60 -1.173 15.913 -9.062 1.00 23.98 N ATOM 937 NH2 ARG A 60 -0.572 14.470 -7.394 1.00 25.79 N ATOM 938 HA ARG A 60 -0.954 15.680 -13.900 1.00 0.00 H ATOM 939 HB2 ARG A 60 1.869 14.898 -13.130 1.00 0.00 H ATOM 940 HB3 ARG A 60 1.167 16.493 -12.774 1.00 0.00 H ATOM 941 HG2 ARG A 60 -0.626 15.289 -11.460 1.00 0.00 H ATOM 942 HG3 ARG A 60 0.339 13.807 -11.656 1.00 0.00 H ATOM 943 HD2 ARG A 60 1.251 16.411 -10.369 1.00 0.00 H ATOM 944 HD3 ARG A 60 2.294 14.997 -10.650 1.00 0.00 H ATOM 945 HE ARG A 60 1.465 14.049 -8.726 1.00 0.00 H ATOM 946 HH12 ARG A 60 -2.047 16.136 -8.544 1.00 0.00 H ATOM 947 HH11 ARG A 60 -0.989 16.354 -9.986 1.00 0.00 H ATOM 948 HH22 ARG A 60 -1.452 14.704 -6.892 1.00 0.00 H ATOM 949 HH21 ARG A 60 0.084 13.770 -6.994 1.00 0.00 H ATOM 950 H ARG A 60 0.472 13.186 -14.022 1.00 0.00 H ATOM 951 N SER A 61 1.605 15.706 -16.017 1.00 7.05 N ATOM 952 CA SER A 61 2.144 16.503 -17.100 1.00 7.80 C ATOM 953 C SER A 61 1.123 16.714 -18.196 1.00 7.78 C ATOM 954 O SER A 61 0.980 17.828 -18.735 1.00 10.17 O ATOM 955 CB SER A 61 3.382 15.873 -17.691 1.00 8.49 C ATOM 956 OG SER A 61 4.439 15.915 -16.744 1.00 9.34 O ATOM 957 HA SER A 61 2.409 17.469 -16.670 1.00 0.00 H ATOM 958 HB2 SER A 61 3.675 16.421 -18.587 1.00 0.00 H ATOM 959 HB3 SER A 61 3.171 14.836 -17.954 1.00 0.00 H ATOM 960 HG SER A 61 4.172 15.416 -15.931 1.00 0.00 H ATOM 961 H SER A 61 2.022 14.782 -15.786 1.00 0.00 H ATOM 962 N GLN A 62 0.354 15.664 -18.543 1.00 7.76 N ATOM 963 CA GLN A 62 -0.657 15.812 -19.564 1.00 8.01 C ATOM 964 C GLN A 62 -1.799 16.711 -19.131 1.00 8.21 C ATOM 965 O GLN A 62 -2.330 17.474 -19.930 1.00 10.67 O ATOM 966 CB GLN A 62 -1.167 14.464 -20.053 1.00 10.85 C ATOM 967 CG GLN A 62 -0.102 13.628 -20.750 1.00 13.26 C ATOM 968 CD GLN A 62 0.588 14.349 -21.885 1.00 19.88 C ATOM 969 OE1 GLN A 62 -0.071 14.935 -22.740 1.00 23.83 O ATOM 970 NE2 GLN A 62 1.916 14.281 -21.911 1.00 22.60 N ATOM 971 HA GLN A 62 -0.171 16.307 -20.405 1.00 0.00 H ATOM 972 HB2 GLN A 62 -1.539 13.904 -19.195 1.00 0.00 H ATOM 973 HB3 GLN A 62 -1.983 14.637 -20.754 1.00 0.00 H ATOM 974 HG2 GLN A 62 0.650 13.345 -20.014 1.00 0.00 H ATOM 975 HG3 GLN A 62 -0.575 12.730 -21.149 1.00 0.00 H ATOM 976 HE22 GLN A 62 2.425 13.771 -21.161 1.00 0.00 H ATOM 977 HE21 GLN A 62 2.445 14.737 -22.681 1.00 0.00 H ATOM 978 H GLN A 62 0.488 14.745 -18.075 1.00 0.00 H ATOM 979 N VAL A 63 -2.200 16.648 -17.851 1.00 8.46 N ATOM 980 CA VAL A 63 -3.231 17.548 -17.376 1.00 9.00 C ATOM 981 C VAL A 63 -2.767 19.029 -17.438 1.00 8.64 C ATOM 982 O VAL A 63 -3.528 19.925 -17.760 1.00 11.76 O ATOM 983 CB VAL A 63 -3.717 17.113 -15.987 1.00 9.22 C ATOM 984 CG1 VAL A 63 -4.633 18.148 -15.370 1.00 11.08 C ATOM 985 CG2 VAL A 63 -4.384 15.744 -16.021 1.00 9.79 C ATOM 986 HA VAL A 63 -4.091 17.488 -18.042 1.00 0.00 H ATOM 987 HB VAL A 63 -2.833 17.030 -15.354 1.00 0.00 H ATOM 988 HG11 VAL A 63 -4.097 19.092 -15.268 1.00 0.00 H ATOM 989 HG12 VAL A 63 -5.503 18.290 -16.011 1.00 0.00 H ATOM 990 HG13 VAL A 63 -4.957 17.805 -14.387 1.00 0.00 H ATOM 991 HG21 VAL A 63 -5.244 15.777 -16.689 1.00 0.00 H ATOM 992 HG22 VAL A 63 -3.671 15.003 -16.381 1.00 0.00 H ATOM 993 HG23 VAL A 63 -4.712 15.476 -15.017 1.00 0.00 H ATOM 994 H VAL A 63 -1.772 15.956 -17.203 1.00 0.00 H ATOM 995 N GLU A 64 -1.508 19.274 -17.095 1.00 9.26 N ATOM 996 CA GLU A 64 -1.002 20.632 -17.193 1.00 10.45 C ATOM 997 C GLU A 64 -0.993 21.108 -18.658 1.00 9.36 C ATOM 998 O GLU A 64 -1.293 22.287 -18.931 1.00 12.29 O ATOM 999 CB GLU A 64 0.384 20.758 -16.589 1.00 12.81 C ATOM 1000 CG GLU A 64 0.474 20.486 -15.088 1.00 15.12 C ATOM 1001 CD GLU A 64 -0.376 21.379 -14.186 1.00 18.69 C ATOM 1002 OE1 GLU A 64 -0.908 22.435 -14.623 1.00 17.92 O ATOM 1003 OE2 GLU A 64 -0.498 21.018 -12.991 1.00 27.52 O ATOM 1004 HA GLU A 64 -1.675 21.271 -16.621 1.00 0.00 H ATOM 1005 HB2 GLU A 64 1.038 20.051 -17.099 1.00 0.00 H ATOM 1006 HB3 GLU A 64 0.738 21.773 -16.769 1.00 0.00 H ATOM 1007 HG2 GLU A 64 0.167 19.454 -14.918 1.00 0.00 H ATOM 1008 HG3 GLU A 64 1.515 20.608 -14.790 1.00 0.00 H ATOM 1009 H GLU A 64 -0.893 18.505 -16.761 1.00 0.00 H ATOM 1010 N GLU A 65 -0.683 20.201 -19.583 1.00 10.19 N ATOM 1011 CA GLU A 65 -0.626 20.545 -21.001 1.00 12.08 C ATOM 1012 C GLU A 65 -2.024 20.820 -21.579 1.00 11.48 C ATOM 1013 O GLU A 65 -2.212 21.751 -22.372 1.00 15.51 O ATOM 1014 CB GLU A 65 0.046 19.406 -21.761 1.00 14.92 C ATOM 1015 CG GLU A 65 0.121 19.568 -23.275 1.00 20.49 C ATOM 1016 CD GLU A 65 1.112 20.601 -23.722 1.00 24.99 C ATOM 1017 OE1 GLU A 65 2.101 20.825 -22.991 1.00 24.17 O ATOM 1018 OE2 GLU A 65 0.899 21.178 -24.810 1.00 38.98 O ATOM 1019 HA GLU A 65 -0.047 21.462 -21.112 1.00 0.00 H ATOM 1020 HB2 GLU A 65 1.064 19.308 -21.385 1.00 0.00 H ATOM 1021 HB3 GLU A 65 -0.508 18.491 -21.550 1.00 0.00 H ATOM 1022 HG2 GLU A 65 0.403 18.609 -23.711 1.00 0.00 H ATOM 1023 HG3 GLU A 65 -0.865 19.856 -23.640 1.00 0.00 H ATOM 1024 H GLU A 65 -0.477 19.225 -19.288 1.00 0.00 H ATOM 1025 N ILE A 66 -3.017 20.033 -21.153 1.00 10.42 N ATOM 1026 CA ILE A 66 -4.367 20.078 -21.726 1.00 9.53 C ATOM 1027 C ILE A 66 -5.270 21.098 -21.033 1.00 10.93 C ATOM 1028 O ILE A 66 -6.092 21.750 -21.679 1.00 14.15 O ATOM 1029 CB ILE A 66 -5.038 18.655 -21.692 1.00 10.03 C ATOM 1030 CG1 ILE A 66 -4.223 17.676 -22.550 1.00 12.44 C ATOM 1031 CG2 ILE A 66 -6.503 18.705 -22.120 1.00 13.27 C ATOM 1032 CD1 ILE A 66 -4.552 16.225 -22.318 1.00 15.13 C ATOM 1033 HA ILE A 66 -4.251 20.398 -22.761 1.00 0.00 H ATOM 1034 HB ILE A 66 -5.035 18.297 -20.663 1.00 0.00 H ATOM 1035 HG12 ILE A 66 -4.409 17.905 -23.599 1.00 0.00 H ATOM 1036 HG13 ILE A 66 -3.166 17.826 -22.329 1.00 0.00 H ATOM 1037 HD11 ILE A 66 -4.359 15.972 -21.275 1.00 0.00 H ATOM 1038 HD12 ILE A 66 -5.603 16.051 -22.547 1.00 0.00 H ATOM 1039 HD13 ILE A 66 -3.931 15.605 -22.964 1.00 0.00 H ATOM 1040 HG21 ILE A 66 -7.055 19.359 -21.445 1.00 0.00 H ATOM 1041 HG22 ILE A 66 -6.570 19.090 -23.137 1.00 0.00 H ATOM 1042 HG23 ILE A 66 -6.926 17.701 -22.082 1.00 0.00 H ATOM 1043 H ILE A 66 -2.825 19.361 -20.383 1.00 0.00 H ATOM 1044 N ILE A 67 -5.180 21.190 -19.698 1.00 9.01 N ATOM 1045 CA ILE A 67 -6.104 22.000 -18.885 1.00 10.64 C ATOM 1046 C ILE A 67 -5.411 23.225 -18.293 1.00 11.06 C ATOM 1047 O ILE A 67 -5.927 24.308 -18.378 1.00 15.43 O ATOM 1048 CB ILE A 67 -6.733 21.180 -17.700 1.00 10.07 C ATOM 1049 CG1 ILE A 67 -7.336 19.858 -18.153 1.00 13.63 C ATOM 1050 CG2 ILE A 67 -7.736 22.040 -16.904 1.00 12.41 C ATOM 1051 CD1 ILE A 67 -8.412 20.006 -19.212 1.00 14.30 C ATOM 1052 HA ILE A 67 -6.894 22.312 -19.569 1.00 0.00 H ATOM 1053 HB ILE A 67 -5.919 20.915 -17.026 1.00 0.00 H ATOM 1054 HG12 ILE A 67 -6.537 19.237 -18.559 1.00 0.00 H ATOM 1055 HG13 ILE A 67 -7.773 19.364 -17.285 1.00 0.00 H ATOM 1056 HD11 ILE A 67 -9.226 20.615 -18.819 1.00 0.00 H ATOM 1057 HD12 ILE A 67 -7.989 20.488 -20.093 1.00 0.00 H ATOM 1058 HD13 ILE A 67 -8.792 19.021 -19.482 1.00 0.00 H ATOM 1059 HG21 ILE A 67 -7.222 22.909 -16.494 1.00 0.00 H ATOM 1060 HG22 ILE A 67 -8.537 22.369 -17.566 1.00 0.00 H ATOM 1061 HG23 ILE A 67 -8.155 21.448 -16.091 1.00 0.00 H ATOM 1062 H ILE A 67 -4.423 20.666 -19.214 1.00 0.00 H ATOM 1063 N GLY A 68 -4.263 22.992 -17.661 1.00 12.56 N ATOM 1064 CA GLY A 68 -3.590 24.072 -16.928 1.00 15.53 C ATOM 1065 C GLY A 68 -4.335 24.444 -15.612 1.00 17.57 C ATOM 1066 O GLY A 68 -5.582 24.250 -15.398 1.00 15.19 O ATOM 1067 HA3 GLY A 68 -3.544 24.954 -17.567 1.00 0.00 H ATOM 1068 HA2 GLY A 68 -2.578 23.751 -16.680 1.00 0.00 H ATOM 1069 H GLY A 68 -3.841 22.042 -17.686 1.00 0.00 H ATOM 1070 N GLN A 69 -3.593 25.067 -14.736 1.00 14.72 N ATOM 1071 CA GLN A 69 -4.104 25.439 -13.390 1.00 15.15 C ATOM 1072 C GLN A 69 -4.786 26.830 -13.335 1.00 16.51 C ATOM 1073 O GLN A 69 -4.503 27.710 -14.170 1.00 19.26 O ATOM 1074 CB GLN A 69 -2.907 25.526 -12.434 1.00 14.28 C ATOM 1075 CG GLN A 69 -2.131 24.244 -12.321 1.00 18.35 C ATOM 1076 CD GLN A 69 -0.986 24.304 -11.347 1.00 19.69 C ATOM 1077 OE1 GLN A 69 -0.932 25.134 -10.438 1.00 21.33 O ATOM 1078 NE2 GLN A 69 -0.017 23.453 -11.562 1.00 30.48 N ATOM 1079 HA GLN A 69 -4.841 24.681 -13.124 1.00 0.00 H ATOM 1080 HB2 GLN A 69 -2.235 26.305 -12.793 1.00 0.00 H ATOM 1081 HB3 GLN A 69 -3.276 25.794 -11.444 1.00 0.00 H ATOM 1082 HG2 GLN A 69 -2.814 23.457 -12.000 1.00 0.00 H ATOM 1083 HG3 GLN A 69 -1.732 23.997 -13.305 1.00 0.00 H ATOM 1084 HE22 GLN A 69 -0.092 22.764 -12.338 1.00 0.00 H ATOM 1085 HE21 GLN A 69 0.829 23.465 -10.957 1.00 0.00 H ATOM 1086 H GLN A 69 -2.614 25.311 -14.988 1.00 0.00 H ATOM 1087 N GLY A 70 -5.740 27.011 -12.439 1.00 15.57 N ATOM 1088 CA GLY A 70 -6.258 28.301 -12.170 1.00 16.53 C ATOM 1089 C GLY A 70 -5.338 29.161 -11.332 1.00 13.63 C ATOM 1090 O GLY A 70 -4.185 28.797 -10.964 1.00 13.91 O ATOM 1091 HA3 GLY A 70 -7.204 28.189 -11.639 1.00 0.00 H ATOM 1092 HA2 GLY A 70 -6.433 28.807 -13.119 1.00 0.00 H ATOM 1093 H GLY A 70 -6.117 26.191 -11.922 1.00 0.00 H ATOM 1094 N GLN A 71 -5.876 30.306 -10.967 1.00 16.16 N ATOM 1095 CA GLN A 71 -5.136 31.222 -10.165 1.00 16.06 C ATOM 1096 C GLN A 71 -5.240 30.998 -8.645 1.00 17.69 C ATOM 1097 O GLN A 71 -4.344 31.423 -7.899 1.00 22.52 O ATOM 1098 CB GLN A 71 -5.599 32.631 -10.527 1.00 18.97 C ATOM 1099 CG GLN A 71 -4.585 33.294 -11.447 1.00 23.79 C ATOM 1100 CD GLN A 71 -4.866 34.762 -11.657 1.00 21.10 C ATOM 1101 OE1 GLN A 71 -5.902 35.085 -12.206 1.00 31.36 O ATOM 1102 NE2 GLN A 71 -3.930 35.649 -11.279 1.00 22.33 N ATOM 1103 HA GLN A 71 -4.081 31.063 -10.387 1.00 0.00 H ATOM 1104 HB2 GLN A 71 -6.563 32.575 -11.033 1.00 0.00 H ATOM 1105 HB3 GLN A 71 -5.701 33.222 -9.617 1.00 0.00 H ATOM 1106 HG2 GLN A 71 -3.593 33.187 -11.008 1.00 0.00 H ATOM 1107 HG3 GLN A 71 -4.609 32.792 -12.414 1.00 0.00 H ATOM 1108 HE22 GLN A 71 -3.061 35.320 -10.812 1.00 0.00 H ATOM 1109 HE21 GLN A 71 -4.075 36.664 -11.453 1.00 0.00 H ATOM 1110 H GLN A 71 -6.844 30.542 -11.265 1.00 0.00 H ATOM 1111 N GLN A 72 -6.336 30.437 -8.162 1.00 17.88 N ATOM 1112 CA GLN A 72 -6.544 30.270 -6.715 1.00 19.90 C ATOM 1113 C GLN A 72 -7.189 28.936 -6.433 1.00 13.68 C ATOM 1114 O GLN A 72 -8.051 28.488 -7.173 1.00 16.76 O ATOM 1115 CB GLN A 72 -7.431 31.410 -6.166 1.00 28.71 C ATOM 1116 CG GLN A 72 -6.810 32.796 -6.235 1.00 37.89 C ATOM 1117 CD GLN A 72 -7.650 33.869 -5.569 1.00 47.16 C ATOM 1118 OE1 GLN A 72 -8.488 33.585 -4.701 1.00 58.34 O ATOM 1119 NE2 GLN A 72 -7.415 35.124 -5.961 1.00 55.49 N ATOM 1120 HA GLN A 72 -5.575 30.307 -6.218 1.00 0.00 H ATOM 1121 HB2 GLN A 72 -8.357 31.425 -6.740 1.00 0.00 H ATOM 1122 HB3 GLN A 72 -7.656 31.191 -5.122 1.00 0.00 H ATOM 1123 HG2 GLN A 72 -5.838 32.764 -5.743 1.00 0.00 H ATOM 1124 HG3 GLN A 72 -6.677 33.063 -7.283 1.00 0.00 H ATOM 1125 HE22 GLN A 72 -6.702 35.315 -6.693 1.00 0.00 H ATOM 1126 HE21 GLN A 72 -7.945 35.910 -5.534 1.00 0.00 H ATOM 1127 H GLN A 72 -7.069 30.106 -8.821 1.00 0.00 H ATOM 1128 N ALA A 73 -6.769 28.341 -5.326 1.00 13.36 N ATOM 1129 CA ALA A 73 -7.392 27.091 -4.863 1.00 11.10 C ATOM 1130 C ALA A 73 -8.746 27.399 -4.226 1.00 10.70 C ATOM 1131 O ALA A 73 -8.791 28.216 -3.301 1.00 11.96 O ATOM 1132 CB ALA A 73 -6.475 26.384 -3.852 1.00 11.52 C ATOM 1133 HA ALA A 73 -7.542 26.428 -5.715 1.00 0.00 H ATOM 1134 HB1 ALA A 73 -5.522 26.154 -4.327 1.00 0.00 H ATOM 1135 HB2 ALA A 73 -6.307 27.038 -2.996 1.00 0.00 H ATOM 1136 HB3 ALA A 73 -6.948 25.461 -3.518 1.00 0.00 H ATOM 1137 H ALA A 73 -5.991 28.762 -4.779 1.00 0.00 H ATOM 1138 N PRO A 74 -9.833 26.751 -4.686 1.00 9.95 N ATOM 1139 CA PRO A 74 -11.154 27.047 -4.118 1.00 10.03 C ATOM 1140 C PRO A 74 -11.373 26.439 -2.752 1.00 8.75 C ATOM 1141 O PRO A 74 -10.755 25.402 -2.403 1.00 8.35 O ATOM 1142 CB PRO A 74 -12.120 26.421 -5.110 1.00 11.61 C ATOM 1143 CG PRO A 74 -11.357 25.231 -5.623 1.00 10.58 C ATOM 1144 CD PRO A 74 -9.918 25.735 -5.764 1.00 10.30 C ATOM 1145 HA PRO A 74 -11.280 28.120 -3.975 1.00 0.00 H ATOM 1146 HD3 PRO A 74 -9.200 24.930 -5.606 1.00 0.00 H ATOM 1147 HD2 PRO A 74 -9.750 26.183 -6.743 1.00 0.00 H ATOM 1148 HG3 PRO A 74 -11.749 24.907 -6.587 1.00 0.00 H ATOM 1149 HG2 PRO A 74 -11.409 24.404 -4.915 1.00 0.00 H ATOM 1150 HB2 PRO A 74 -13.042 26.113 -4.618 1.00 0.00 H ATOM 1151 HB3 PRO A 74 -12.355 27.114 -5.918 1.00 0.00 H ATOM 1152 N SER A 75 -12.279 27.034 -1.972 1.00 9.82 N ATOM 1153 CA SER A 75 -12.759 26.453 -0.729 1.00 10.12 C ATOM 1154 C SER A 75 -14.090 25.711 -0.991 1.00 10.62 C ATOM 1155 O SER A 75 -14.754 25.959 -1.966 1.00 12.93 O ATOM 1156 CB SER A 75 -12.951 27.556 0.297 1.00 13.68 C ATOM 1157 OG SER A 75 -11.695 28.125 0.618 1.00 14.67 O ATOM 1158 HA SER A 75 -12.032 25.738 -0.343 1.00 0.00 H ATOM 1159 HB2 SER A 75 -13.403 27.140 1.198 1.00 0.00 H ATOM 1160 HB3 SER A 75 -13.605 28.325 -0.114 1.00 0.00 H ATOM 1161 HG SER A 75 -11.286 28.502 -0.201 1.00 0.00 H ATOM 1162 H SER A 75 -12.659 27.956 -2.268 1.00 0.00 H ATOM 1163 N GLY A 76 -14.474 24.804 -0.110 1.00 12.13 N ATOM 1164 CA GLY A 76 -15.809 24.198 -0.247 1.00 13.94 C ATOM 1165 C GLY A 76 -15.916 23.107 -1.294 1.00 11.56 C ATOM 1166 O GLY A 76 -14.913 22.591 -1.801 1.00 11.57 O ATOM 1167 HA3 GLY A 76 -16.513 24.988 -0.509 1.00 0.00 H ATOM 1168 HA2 GLY A 76 -16.086 23.770 0.716 1.00 0.00 H ATOM 1169 H GLY A 76 -13.843 24.523 0.668 1.00 0.00 H ATOM 1170 N HIS A 77 -17.139 22.751 -1.610 1.00 10.30 N ATOM 1171 CA HIS A 77 -17.376 21.620 -2.480 1.00 7.76 C ATOM 1172 C HIS A 77 -17.217 21.932 -3.953 1.00 6.67 C ATOM 1173 O HIS A 77 -17.778 22.908 -4.475 1.00 10.91 O ATOM 1174 CB HIS A 77 -18.784 21.099 -2.226 1.00 9.07 C ATOM 1175 CG HIS A 77 -19.083 20.898 -0.768 1.00 15.08 C ATOM 1176 ND1 HIS A 77 -19.517 21.898 0.040 1.00 17.58 N ATOM 1177 CD2 HIS A 77 -19.009 19.764 0.015 1.00 16.50 C ATOM 1178 CE1 HIS A 77 -19.683 21.424 1.282 1.00 22.69 C ATOM 1179 NE2 HIS A 77 -19.393 20.113 1.269 1.00 23.93 N ATOM 1180 HA HIS A 77 -16.618 20.873 -2.243 1.00 0.00 H ATOM 1181 HB2 HIS A 77 -19.498 21.816 -2.631 1.00 0.00 H ATOM 1182 HB3 HIS A 77 -18.899 20.144 -2.739 1.00 0.00 H ATOM 1183 HD2 HIS A 77 -18.699 18.772 -0.313 1.00 0.00 H ATOM 1184 HE1 HIS A 77 -19.998 22.002 2.151 1.00 0.00 H ATOM 1185 H HIS A 77 -17.946 23.287 -1.231 1.00 0.00 H ATOM 1186 N ILE A 78 -16.433 21.128 -4.601 1.00 5.14 N ATOM 1187 CA ILE A 78 -16.127 21.320 -6.013 1.00 4.67 C ATOM 1188 C ILE A 78 -17.075 20.370 -6.806 1.00 4.03 C ATOM 1189 O ILE A 78 -17.104 19.158 -6.540 1.00 4.51 O ATOM 1190 CB ILE A 78 -14.659 20.963 -6.318 1.00 4.83 C ATOM 1191 CG1 ILE A 78 -13.711 21.789 -5.408 1.00 5.51 C ATOM 1192 CG2 ILE A 78 -14.348 21.212 -7.801 1.00 4.81 C ATOM 1193 CD1 ILE A 78 -12.221 21.522 -5.663 1.00 6.66 C ATOM 1194 HA ILE A 78 -16.271 22.363 -6.294 1.00 0.00 H ATOM 1195 HB ILE A 78 -14.500 19.905 -6.110 1.00 0.00 H ATOM 1196 HG12 ILE A 78 -13.905 22.848 -5.580 1.00 0.00 H ATOM 1197 HG13 ILE A 78 -13.932 21.544 -4.369 1.00 0.00 H ATOM 1198 HD11 ILE A 78 -12.006 20.468 -5.484 1.00 0.00 H ATOM 1199 HD12 ILE A 78 -11.980 21.773 -6.696 1.00 0.00 H ATOM 1200 HD13 ILE A 78 -11.623 22.136 -4.989 1.00 0.00 H ATOM 1201 HG21 ILE A 78 -15.001 20.593 -8.417 1.00 0.00 H ATOM 1202 HG22 ILE A 78 -14.515 22.263 -8.034 1.00 0.00 H ATOM 1203 HG23 ILE A 78 -13.308 20.955 -8.001 1.00 0.00 H ATOM 1204 H ILE A 78 -16.010 20.322 -4.098 1.00 0.00 H ATOM 1205 N PRO A 79 -17.840 20.859 -7.783 1.00 4.26 N ATOM 1206 CA PRO A 79 -18.809 20.012 -8.473 1.00 4.09 C ATOM 1207 C PRO A 79 -18.136 19.110 -9.493 1.00 3.88 C ATOM 1208 O PRO A 79 -17.177 19.472 -10.170 1.00 4.35 O ATOM 1209 CB PRO A 79 -19.710 21.026 -9.190 1.00 5.00 C ATOM 1210 CG PRO A 79 -18.793 22.190 -9.440 1.00 5.63 C ATOM 1211 CD PRO A 79 -17.919 22.271 -8.208 1.00 5.01 C ATOM 1212 HA PRO A 79 -19.341 19.349 -7.790 1.00 0.00 H ATOM 1213 HD3 PRO A 79 -16.932 22.667 -8.449 1.00 0.00 H ATOM 1214 HD2 PRO A 79 -18.379 22.890 -7.438 1.00 0.00 H ATOM 1215 HG3 PRO A 79 -19.365 23.109 -9.565 1.00 0.00 H ATOM 1216 HG2 PRO A 79 -18.187 22.017 -10.329 1.00 0.00 H ATOM 1217 HB2 PRO A 79 -20.088 20.618 -10.128 1.00 0.00 H ATOM 1218 HB3 PRO A 79 -20.549 21.318 -8.558 1.00 0.00 H ATOM 1219 N PHE A 80 -18.724 17.915 -9.702 1.00 4.53 N ATOM 1220 CA PHE A 80 -18.299 17.062 -10.813 1.00 4.32 C ATOM 1221 C PHE A 80 -18.703 17.673 -12.151 1.00 4.31 C ATOM 1222 O PHE A 80 -19.786 18.260 -12.296 1.00 5.29 O ATOM 1223 CB PHE A 80 -19.012 15.709 -10.708 1.00 5.76 C ATOM 1224 CG PHE A 80 -18.531 14.883 -9.580 1.00 7.66 C ATOM 1225 CD1 PHE A 80 -17.231 14.320 -9.589 1.00 8.84 C ATOM 1226 CD2 PHE A 80 -19.365 14.641 -8.524 1.00 15.84 C ATOM 1227 CE1 PHE A 80 -16.767 13.560 -8.486 1.00 14.22 C ATOM 1228 CE2 PHE A 80 -18.944 13.831 -7.491 1.00 20.56 C ATOM 1229 CZ PHE A 80 -17.651 13.341 -7.450 1.00 18.67 C ATOM 1230 HA PHE A 80 -17.216 16.955 -10.760 1.00 0.00 H ATOM 1231 HB2 PHE A 80 -20.079 15.889 -10.576 1.00 0.00 H ATOM 1232 HB3 PHE A 80 -18.850 15.159 -11.635 1.00 0.00 H ATOM 1233 HD2 PHE A 80 -20.359 15.087 -8.499 1.00 0.00 H ATOM 1234 HE2 PHE A 80 -19.641 13.573 -6.694 1.00 0.00 H ATOM 1235 HZ PHE A 80 -17.324 12.770 -6.581 1.00 0.00 H ATOM 1236 HE1 PHE A 80 -15.752 13.164 -8.458 1.00 0.00 H ATOM 1237 HD1 PHE A 80 -16.582 14.473 -10.451 1.00 0.00 H ATOM 1238 H PHE A 80 -19.485 17.597 -9.069 1.00 0.00 H ATOM 1239 N THR A 81 -17.852 17.461 -13.150 1.00 3.80 N ATOM 1240 CA THR A 81 -18.225 17.745 -14.530 1.00 4.01 C ATOM 1241 C THR A 81 -19.274 16.764 -15.038 1.00 3.71 C ATOM 1242 O THR A 81 -19.438 15.658 -14.497 1.00 4.11 O ATOM 1243 CB THR A 81 -17.000 17.653 -15.477 1.00 3.88 C ATOM 1244 OG1 THR A 81 -16.598 16.302 -15.519 1.00 4.29 O ATOM 1245 CG2 THR A 81 -15.852 18.558 -15.094 1.00 5.07 C ATOM 1246 HA THR A 81 -18.628 18.758 -14.533 1.00 0.00 H ATOM 1247 HB THR A 81 -17.301 18.007 -16.463 1.00 0.00 H ATOM 1248 HG1 THR A 81 -17.343 15.748 -15.861 1.00 0.00 H ATOM 1249 HG23 THR A 81 -16.198 19.591 -15.071 1.00 0.00 H ATOM 1250 HG21 THR A 81 -15.482 18.276 -14.108 1.00 0.00 H ATOM 1251 HG22 THR A 81 -15.051 18.457 -15.827 1.00 0.00 H ATOM 1252 H THR A 81 -16.904 17.086 -12.943 1.00 0.00 H ATOM 1253 N PRO A 82 -19.966 17.111 -16.139 1.00 4.46 N ATOM 1254 CA PRO A 82 -20.885 16.149 -16.773 1.00 4.79 C ATOM 1255 C PRO A 82 -20.213 14.809 -17.059 1.00 4.54 C ATOM 1256 O PRO A 82 -20.819 13.753 -16.832 1.00 5.24 O ATOM 1257 CB PRO A 82 -21.299 16.871 -18.075 1.00 6.16 C ATOM 1258 CG PRO A 82 -21.276 18.348 -17.645 1.00 6.32 C ATOM 1259 CD PRO A 82 -20.066 18.457 -16.746 1.00 5.34 C ATOM 1260 HA PRO A 82 -21.731 15.892 -16.136 1.00 0.00 H ATOM 1261 HD3 PRO A 82 -19.171 18.692 -17.323 1.00 0.00 H ATOM 1262 HD2 PRO A 82 -20.215 19.220 -15.982 1.00 0.00 H ATOM 1263 HG3 PRO A 82 -22.185 18.607 -17.102 1.00 0.00 H ATOM 1264 HG2 PRO A 82 -21.174 19.001 -18.512 1.00 0.00 H ATOM 1265 HB2 PRO A 82 -20.586 16.681 -18.877 1.00 0.00 H ATOM 1266 HB3 PRO A 82 -22.295 16.568 -18.397 1.00 0.00 H ATOM 1267 N ARG A 83 -19.008 14.796 -17.621 1.00 4.31 N ATOM 1268 CA ARG A 83 -18.366 13.529 -17.947 1.00 4.55 C ATOM 1269 C ARG A 83 -17.960 12.770 -16.696 1.00 4.19 C ATOM 1270 O ARG A 83 -18.036 11.525 -16.691 1.00 5.17 O ATOM 1271 CB ARG A 83 -17.221 13.708 -18.912 1.00 5.40 C ATOM 1272 CG ARG A 83 -17.687 14.194 -20.278 1.00 7.16 C ATOM 1273 CD ARG A 83 -16.533 14.282 -21.251 1.00 8.77 C ATOM 1274 NE ARG A 83 -16.920 14.943 -22.503 1.00 11.90 N ATOM 1275 CZ ARG A 83 -17.587 14.369 -23.480 1.00 11.28 C ATOM 1276 NH1 ARG A 83 -17.866 13.081 -23.420 1.00 12.59 N ATOM 1277 NH2 ARG A 83 -17.897 15.034 -24.575 1.00 16.93 N ATOM 1278 HA ARG A 83 -19.105 12.914 -18.461 1.00 0.00 H ATOM 1279 HB2 ARG A 83 -16.525 14.438 -18.499 1.00 0.00 H ATOM 1280 HB3 ARG A 83 -16.713 12.752 -19.035 1.00 0.00 H ATOM 1281 HG2 ARG A 83 -18.429 13.498 -20.669 1.00 0.00 H ATOM 1282 HG3 ARG A 83 -18.137 15.181 -20.170 1.00 0.00 H ATOM 1283 HD2 ARG A 83 -16.185 13.274 -21.477 1.00 0.00 H ATOM 1284 HD3 ARG A 83 -15.725 14.848 -20.789 1.00 0.00 H ATOM 1285 HE ARG A 83 -16.646 15.939 -22.626 1.00 0.00 H ATOM 1286 HH12 ARG A 83 -18.394 12.627 -24.193 1.00 0.00 H ATOM 1287 HH11 ARG A 83 -17.558 12.520 -22.600 1.00 0.00 H ATOM 1288 HH22 ARG A 83 -18.425 14.563 -25.337 1.00 0.00 H ATOM 1289 HH21 ARG A 83 -17.614 16.029 -24.677 1.00 0.00 H ATOM 1290 H ARG A 83 -18.523 15.692 -17.828 1.00 0.00 H ATOM 1291 N ALA A 84 -17.524 13.445 -15.646 1.00 3.92 N ATOM 1292 CA ALA A 84 -17.206 12.743 -14.399 1.00 3.91 C ATOM 1293 C ALA A 84 -18.451 12.094 -13.789 1.00 3.86 C ATOM 1294 O ALA A 84 -18.392 10.978 -13.264 1.00 4.42 O ATOM 1295 CB ALA A 84 -16.540 13.662 -13.416 1.00 4.83 C ATOM 1296 HA ALA A 84 -16.504 11.945 -14.641 1.00 0.00 H ATOM 1297 HB1 ALA A 84 -15.615 14.044 -13.847 1.00 0.00 H ATOM 1298 HB2 ALA A 84 -17.207 14.493 -13.188 1.00 0.00 H ATOM 1299 HB3 ALA A 84 -16.316 13.113 -12.501 1.00 0.00 H ATOM 1300 H ALA A 84 -17.406 14.477 -15.705 1.00 0.00 H ATOM 1301 N LYS A 85 -19.584 12.806 -13.865 1.00 4.24 N ATOM 1302 CA LYS A 85 -20.841 12.207 -13.418 1.00 4.55 C ATOM 1303 C LYS A 85 -21.127 10.917 -14.192 1.00 4.76 C ATOM 1304 O LYS A 85 -21.520 9.896 -13.625 1.00 5.67 O ATOM 1305 CB LYS A 85 -22.000 13.207 -13.629 1.00 5.49 C ATOM 1306 CG LYS A 85 -21.939 14.402 -12.694 1.00 5.89 C ATOM 1307 CD LYS A 85 -22.859 15.568 -13.143 1.00 8.05 C ATOM 1308 CE LYS A 85 -24.301 15.213 -13.356 1.00 8.72 C ATOM 1309 NZ LYS A 85 -24.957 14.678 -12.167 1.00 10.61 N ATOM 1310 HA LYS A 85 -20.755 11.967 -12.358 1.00 0.00 H ATOM 1311 HB2 LYS A 85 -21.963 13.569 -14.657 1.00 0.00 H ATOM 1312 HB3 LYS A 85 -22.942 12.685 -13.463 1.00 0.00 H ATOM 1313 HG2 LYS A 85 -22.245 14.081 -11.698 1.00 0.00 H ATOM 1314 HG3 LYS A 85 -20.911 14.764 -12.658 1.00 0.00 H ATOM 1315 HD2 LYS A 85 -22.814 16.344 -12.379 1.00 0.00 H ATOM 1316 HD3 LYS A 85 -22.468 15.961 -14.082 1.00 0.00 H ATOM 1317 HE2 LYS A 85 -24.358 14.465 -14.147 1.00 0.00 H ATOM 1318 HE3 LYS A 85 -24.834 16.111 -13.668 1.00 0.00 H ATOM 1319 HZ1 LYS A 85 -24.467 13.813 -11.862 1.00 0.00 H ATOM 1320 HZ2 LYS A 85 -24.921 15.385 -11.405 1.00 0.00 H ATOM 1321 HZ3 LYS A 85 -25.948 14.456 -12.390 1.00 0.00 H ATOM 1322 H LYS A 85 -19.569 13.776 -14.239 1.00 0.00 H ATOM 1323 N LYS A 86 -20.933 10.967 -15.508 1.00 5.12 N ATOM 1324 CA LYS A 86 -21.190 9.795 -16.337 1.00 5.51 C ATOM 1325 C LYS A 86 -20.292 8.630 -15.966 1.00 5.18 C ATOM 1326 O LYS A 86 -20.741 7.494 -15.882 1.00 6.03 O ATOM 1327 CB LYS A 86 -21.026 10.128 -17.805 1.00 5.84 C ATOM 1328 CG LYS A 86 -21.545 9.051 -18.740 1.00 6.66 C ATOM 1329 CD LYS A 86 -21.554 9.533 -20.179 1.00 9.68 C ATOM 1330 CE LYS A 86 -21.723 8.399 -21.160 1.00 12.69 C ATOM 1331 NZ LYS A 86 -22.196 8.932 -22.456 1.00 17.80 N ATOM 1332 HA LYS A 86 -22.221 9.494 -16.153 1.00 0.00 H ATOM 1333 HB2 LYS A 86 -21.567 11.052 -18.011 1.00 0.00 H ATOM 1334 HB3 LYS A 86 -19.965 10.277 -18.007 1.00 0.00 H ATOM 1335 HG2 LYS A 86 -20.904 8.173 -18.663 1.00 0.00 H ATOM 1336 HG3 LYS A 86 -22.561 8.785 -18.447 1.00 0.00 H ATOM 1337 HD2 LYS A 86 -22.377 10.235 -20.309 1.00 0.00 H ATOM 1338 HD3 LYS A 86 -20.611 10.039 -20.386 1.00 0.00 H ATOM 1339 HE2 LYS A 86 -22.452 7.688 -20.772 1.00 0.00 H ATOM 1340 HE3 LYS A 86 -20.767 7.896 -21.302 1.00 0.00 H ATOM 1341 HZ1 LYS A 86 -23.109 9.411 -22.320 1.00 0.00 H ATOM 1342 HZ2 LYS A 86 -21.499 9.609 -22.826 1.00 0.00 H ATOM 1343 HZ3 LYS A 86 -22.312 8.149 -23.130 1.00 0.00 H ATOM 1344 H LYS A 86 -20.596 11.847 -15.948 1.00 0.00 H ATOM 1345 N VAL A 87 -19.014 8.914 -15.683 1.00 4.83 N ATOM 1346 CA VAL A 87 -18.099 7.895 -15.239 1.00 5.29 C ATOM 1347 C VAL A 87 -18.616 7.192 -13.995 1.00 4.74 C ATOM 1348 O VAL A 87 -18.581 5.962 -13.876 1.00 5.20 O ATOM 1349 CB VAL A 87 -16.694 8.494 -14.993 1.00 5.35 C ATOM 1350 CG1 VAL A 87 -15.799 7.549 -14.186 1.00 6.19 C ATOM 1351 CG2 VAL A 87 -16.080 8.861 -16.340 1.00 7.01 C ATOM 1352 HA VAL A 87 -18.019 7.148 -16.029 1.00 0.00 H ATOM 1353 HB VAL A 87 -16.787 9.394 -14.386 1.00 0.00 H ATOM 1354 HG11 VAL A 87 -16.260 7.353 -13.218 1.00 0.00 H ATOM 1355 HG12 VAL A 87 -15.679 6.612 -14.729 1.00 0.00 H ATOM 1356 HG13 VAL A 87 -14.823 8.012 -14.038 1.00 0.00 H ATOM 1357 HG21 VAL A 87 -16.000 7.966 -16.957 1.00 0.00 H ATOM 1358 HG22 VAL A 87 -16.714 9.593 -16.840 1.00 0.00 H ATOM 1359 HG23 VAL A 87 -15.088 9.285 -16.182 1.00 0.00 H ATOM 1360 H VAL A 87 -18.675 9.892 -15.786 1.00 0.00 H ATOM 1361 N LEU A 88 -19.050 7.982 -13.004 1.00 4.87 N ATOM 1362 CA LEU A 88 -19.518 7.368 -11.741 1.00 5.13 C ATOM 1363 C LEU A 88 -20.814 6.620 -11.963 1.00 4.71 C ATOM 1364 O LEU A 88 -20.984 5.534 -11.359 1.00 5.82 O ATOM 1365 CB LEU A 88 -19.636 8.479 -10.699 1.00 5.83 C ATOM 1366 CG LEU A 88 -18.303 9.069 -10.263 1.00 6.86 C ATOM 1367 CD1 LEU A 88 -18.493 10.336 -9.458 1.00 10.57 C ATOM 1368 CD2 LEU A 88 -17.423 8.060 -9.556 1.00 9.96 C ATOM 1369 HA LEU A 88 -18.809 6.625 -11.376 1.00 0.00 H ATOM 1370 HB2 LEU A 88 -20.243 9.280 -11.120 1.00 0.00 H ATOM 1371 HB3 LEU A 88 -20.134 8.071 -9.819 1.00 0.00 H ATOM 1372 HG LEU A 88 -17.767 9.345 -11.171 1.00 0.00 H ATOM 1373 HD21 LEU A 88 -17.935 7.694 -8.666 1.00 0.00 H ATOM 1374 HD22 LEU A 88 -17.217 7.226 -10.227 1.00 0.00 H ATOM 1375 HD23 LEU A 88 -16.486 8.536 -9.268 1.00 0.00 H ATOM 1376 HD11 LEU A 88 -19.016 11.075 -10.065 1.00 0.00 H ATOM 1377 HD12 LEU A 88 -19.080 10.114 -8.567 1.00 0.00 H ATOM 1378 HD13 LEU A 88 -17.519 10.728 -9.165 1.00 0.00 H ATOM 1379 H LEU A 88 -19.058 9.015 -13.121 1.00 0.00 H ATOM 1380 N GLU A 89 -21.716 7.078 -12.821 1.00 5.06 N ATOM 1381 CA GLU A 89 -22.896 6.269 -13.164 1.00 5.66 C ATOM 1382 C GLU A 89 -22.513 4.962 -13.809 1.00 5.87 C ATOM 1383 O GLU A 89 -23.063 3.884 -13.476 1.00 7.50 O ATOM 1384 CB GLU A 89 -23.794 7.030 -14.126 1.00 6.33 C ATOM 1385 CG GLU A 89 -24.400 8.252 -13.470 1.00 4.92 C ATOM 1386 CD GLU A 89 -25.205 9.067 -14.436 1.00 9.85 C ATOM 1387 OE1 GLU A 89 -25.428 8.662 -15.625 1.00 14.40 O ATOM 1388 OE2 GLU A 89 -25.678 10.149 -13.975 1.00 10.08 O ATOM 1389 HA GLU A 89 -23.421 6.063 -12.231 1.00 0.00 H ATOM 1390 HB2 GLU A 89 -23.205 7.345 -14.987 1.00 0.00 H ATOM 1391 HB3 GLU A 89 -24.596 6.371 -14.458 1.00 0.00 H ATOM 1392 HG2 GLU A 89 -25.049 7.929 -12.656 1.00 0.00 H ATOM 1393 HG3 GLU A 89 -23.597 8.871 -13.070 1.00 0.00 H ATOM 1394 H GLU A 89 -21.588 8.015 -13.254 1.00 0.00 H ATOM 1395 N LEU A 90 -21.576 5.004 -14.762 1.00 5.51 N ATOM 1396 CA LEU A 90 -21.211 3.809 -15.505 1.00 6.15 C ATOM 1397 C LEU A 90 -20.519 2.829 -14.582 1.00 6.16 C ATOM 1398 O LEU A 90 -20.617 1.604 -14.816 1.00 6.93 O ATOM 1399 CB LEU A 90 -20.325 4.173 -16.680 1.00 6.12 C ATOM 1400 CG LEU A 90 -21.067 4.875 -17.808 1.00 7.51 C ATOM 1401 CD1 LEU A 90 -20.074 5.413 -18.797 1.00 9.56 C ATOM 1402 CD2 LEU A 90 -22.087 3.960 -18.456 1.00 10.51 C ATOM 1403 HA LEU A 90 -22.111 3.337 -15.899 1.00 0.00 H ATOM 1404 HB2 LEU A 90 -19.534 4.833 -16.324 1.00 0.00 H ATOM 1405 HB3 LEU A 90 -19.883 3.258 -17.075 1.00 0.00 H ATOM 1406 HG LEU A 90 -21.632 5.713 -17.399 1.00 0.00 H ATOM 1407 HD21 LEU A 90 -21.581 3.086 -18.867 1.00 0.00 H ATOM 1408 HD22 LEU A 90 -22.814 3.642 -17.709 1.00 0.00 H ATOM 1409 HD23 LEU A 90 -22.597 4.496 -19.257 1.00 0.00 H ATOM 1410 HD11 LEU A 90 -19.413 6.122 -18.298 1.00 0.00 H ATOM 1411 HD12 LEU A 90 -19.486 4.590 -19.203 1.00 0.00 H ATOM 1412 HD13 LEU A 90 -20.604 5.916 -19.605 1.00 0.00 H ATOM 1413 H LEU A 90 -21.101 5.905 -14.975 1.00 0.00 H ATOM 1414 N SER A 91 -19.794 3.284 -13.569 1.00 6.39 N ATOM 1415 CA SER A 91 -19.113 2.386 -12.628 1.00 6.29 C ATOM 1416 C SER A 91 -20.066 1.378 -12.011 1.00 5.59 C ATOM 1417 O SER A 91 -19.668 0.231 -11.763 1.00 6.30 O ATOM 1418 CB SER A 91 -18.343 3.171 -11.552 1.00 6.74 C ATOM 1419 OG SER A 91 -19.171 3.671 -10.510 1.00 6.33 O ATOM 1420 HA SER A 91 -18.381 1.819 -13.204 1.00 0.00 H ATOM 1421 HB2 SER A 91 -17.844 4.014 -12.031 1.00 0.00 H ATOM 1422 HB3 SER A 91 -17.596 2.511 -11.112 1.00 0.00 H ATOM 1423 HG SER A 91 -19.849 4.282 -10.893 1.00 0.00 H ATOM 1424 H SER A 91 -19.705 4.312 -13.437 1.00 0.00 H ATOM 1425 N LEU A 92 -21.289 1.792 -11.731 1.00 6.00 N ATOM 1426 CA LEU A 92 -22.259 0.895 -11.135 1.00 6.60 C ATOM 1427 C LEU A 92 -22.515 -0.296 -12.048 1.00 7.23 C ATOM 1428 O LEU A 92 -22.665 -1.438 -11.602 1.00 8.25 O ATOM 1429 CB LEU A 92 -23.587 1.650 -10.902 1.00 7.66 C ATOM 1430 CG LEU A 92 -23.491 3.031 -10.155 1.00 10.38 C ATOM 1431 CD1 LEU A 92 -24.866 3.630 -9.971 1.00 10.92 C ATOM 1432 CD2 LEU A 92 -22.719 2.929 -8.870 1.00 11.97 C ATOM 1433 HA LEU A 92 -21.863 0.536 -10.185 1.00 0.00 H ATOM 1434 HB2 LEU A 92 -24.040 1.832 -11.877 1.00 0.00 H ATOM 1435 HB3 LEU A 92 -24.238 1.001 -10.316 1.00 0.00 H ATOM 1436 HG LEU A 92 -22.920 3.717 -10.782 1.00 0.00 H ATOM 1437 HD21 LEU A 92 -23.212 2.218 -8.207 1.00 0.00 H ATOM 1438 HD22 LEU A 92 -21.706 2.587 -9.082 1.00 0.00 H ATOM 1439 HD23 LEU A 92 -22.681 3.908 -8.392 1.00 0.00 H ATOM 1440 HD11 LEU A 92 -25.327 3.786 -10.947 1.00 0.00 H ATOM 1441 HD12 LEU A 92 -25.481 2.950 -9.382 1.00 0.00 H ATOM 1442 HD13 LEU A 92 -24.779 4.585 -9.452 1.00 0.00 H ATOM 1443 H LEU A 92 -21.559 2.774 -11.941 1.00 0.00 H ATOM 1444 N ARG A 93 -22.634 -0.037 -13.349 1.00 7.25 N ATOM 1445 CA ARG A 93 -22.917 -1.098 -14.316 1.00 8.39 C ATOM 1446 C ARG A 93 -21.734 -2.020 -14.527 1.00 6.76 C ATOM 1447 O ARG A 93 -21.910 -3.209 -14.755 1.00 7.66 O ATOM 1448 CB ARG A 93 -23.299 -0.440 -15.669 1.00 12.71 C ATOM 1449 CG ARG A 93 -24.407 0.577 -15.618 1.00 14.15 C ATOM 1450 CD ARG A 93 -25.708 -0.125 -15.602 1.00 22.21 C ATOM 1451 NE ARG A 93 -25.642 -1.280 -16.503 1.00 16.42 N ATOM 1452 CZ ARG A 93 -26.228 -2.455 -16.293 1.00 18.19 C ATOM 1453 NH1 ARG A 93 -27.045 -2.624 -15.257 1.00 23.69 N ATOM 1454 NH2 ARG A 93 -26.027 -3.448 -17.145 1.00 21.89 N ATOM 1455 HA ARG A 93 -23.734 -1.704 -13.923 1.00 0.00 H ATOM 1456 HB2 ARG A 93 -22.411 0.054 -16.063 1.00 0.00 H ATOM 1457 HB3 ARG A 93 -23.605 -1.233 -16.351 1.00 0.00 H ATOM 1458 HG2 ARG A 93 -24.307 1.181 -14.716 1.00 0.00 H ATOM 1459 HG3 ARG A 93 -24.351 1.222 -16.495 1.00 0.00 H ATOM 1460 HD2 ARG A 93 -26.493 0.554 -15.935 1.00 0.00 H ATOM 1461 HD3 ARG A 93 -25.928 -0.464 -14.590 1.00 0.00 H ATOM 1462 HE ARG A 93 -25.091 -1.171 -17.379 1.00 0.00 H ATOM 1463 HH12 ARG A 93 -27.500 -3.546 -15.099 1.00 0.00 H ATOM 1464 HH11 ARG A 93 -27.229 -1.835 -14.605 1.00 0.00 H ATOM 1465 HH22 ARG A 93 -26.482 -4.369 -16.986 1.00 0.00 H ATOM 1466 HH21 ARG A 93 -25.414 -3.307 -17.973 1.00 0.00 H ATOM 1467 H ARG A 93 -22.523 0.941 -13.685 1.00 0.00 H ATOM 1468 N GLU A 94 -20.534 -1.457 -14.515 1.00 6.55 N ATOM 1469 CA GLU A 94 -19.348 -2.291 -14.663 1.00 6.55 C ATOM 1470 C GLU A 94 -19.303 -3.298 -13.514 1.00 6.19 C ATOM 1471 O GLU A 94 -19.023 -4.486 -13.708 1.00 7.19 O ATOM 1472 CB GLU A 94 -18.068 -1.460 -14.730 1.00 6.77 C ATOM 1473 CG GLU A 94 -18.072 -0.361 -15.791 1.00 7.28 C ATOM 1474 CD GLU A 94 -18.063 -0.855 -17.236 1.00 8.21 C ATOM 1475 OE1 GLU A 94 -17.142 -1.604 -17.645 1.00 8.19 O ATOM 1476 OE2 GLU A 94 -18.926 -0.399 -18.043 1.00 13.79 O ATOM 1477 HA GLU A 94 -19.411 -2.826 -15.610 1.00 0.00 H ATOM 1478 HB2 GLU A 94 -17.916 -0.992 -13.757 1.00 0.00 H ATOM 1479 HB3 GLU A 94 -17.237 -2.133 -14.942 1.00 0.00 H ATOM 1480 HG2 GLU A 94 -18.967 0.245 -15.647 1.00 0.00 H ATOM 1481 HG3 GLU A 94 -17.187 0.258 -15.640 1.00 0.00 H ATOM 1482 H GLU A 94 -20.440 -0.428 -14.401 1.00 0.00 H ATOM 1483 N ALA A 95 -19.544 -2.815 -12.303 1.00 6.65 N ATOM 1484 CA ALA A 95 -19.506 -3.698 -11.135 1.00 7.07 C ATOM 1485 C ALA A 95 -20.554 -4.792 -11.228 1.00 6.68 C ATOM 1486 O ALA A 95 -20.245 -5.965 -10.971 1.00 8.53 O ATOM 1487 CB ALA A 95 -19.713 -2.854 -9.865 1.00 8.00 C ATOM 1488 HA ALA A 95 -18.534 -4.190 -11.097 1.00 0.00 H ATOM 1489 HB1 ALA A 95 -18.920 -2.110 -9.791 1.00 0.00 H ATOM 1490 HB2 ALA A 95 -20.679 -2.352 -9.917 1.00 0.00 H ATOM 1491 HB3 ALA A 95 -19.686 -3.504 -8.990 1.00 0.00 H ATOM 1492 H ALA A 95 -19.761 -1.805 -12.182 1.00 0.00 H ATOM 1493 N LEU A 96 -21.794 -4.417 -11.551 1.00 7.34 N ATOM 1494 CA LEU A 96 -22.865 -5.431 -11.597 1.00 8.71 C ATOM 1495 C LEU A 96 -22.521 -6.510 -12.616 1.00 8.50 C ATOM 1496 O LEU A 96 -22.723 -7.697 -12.362 1.00 10.63 O ATOM 1497 CB LEU A 96 -24.179 -4.773 -11.986 1.00 10.78 C ATOM 1498 CG LEU A 96 -24.819 -3.945 -10.879 1.00 12.47 C ATOM 1499 CD1 LEU A 96 -25.882 -2.986 -11.427 1.00 16.74 C ATOM 1500 CD2 LEU A 96 -25.384 -4.857 -9.805 1.00 19.24 C ATOM 1501 HA LEU A 96 -22.961 -5.885 -10.611 1.00 0.00 H ATOM 1502 HB2 LEU A 96 -23.994 -4.119 -12.838 1.00 0.00 H ATOM 1503 HB3 LEU A 96 -24.880 -5.556 -12.276 1.00 0.00 H ATOM 1504 HG LEU A 96 -24.046 -3.323 -10.428 1.00 0.00 H ATOM 1505 HD21 LEU A 96 -26.137 -5.511 -10.245 1.00 0.00 H ATOM 1506 HD22 LEU A 96 -24.580 -5.460 -9.382 1.00 0.00 H ATOM 1507 HD23 LEU A 96 -25.839 -4.253 -9.020 1.00 0.00 H ATOM 1508 HD11 LEU A 96 -25.421 -2.304 -12.142 1.00 0.00 H ATOM 1509 HD12 LEU A 96 -26.665 -3.559 -11.923 1.00 0.00 H ATOM 1510 HD13 LEU A 96 -26.313 -2.415 -10.605 1.00 0.00 H ATOM 1511 H LEU A 96 -22.003 -3.421 -11.768 1.00 0.00 H ATOM 1512 N GLN A 97 -22.030 -6.117 -13.783 1.00 7.90 N ATOM 1513 CA GLN A 97 -21.741 -7.099 -14.828 1.00 8.07 C ATOM 1514 C GLN A 97 -20.570 -8.011 -14.484 1.00 7.70 C ATOM 1515 O GLN A 97 -20.478 -9.147 -14.980 1.00 9.49 O ATOM 1516 CB GLN A 97 -21.433 -6.359 -16.105 1.00 7.40 C ATOM 1517 CG GLN A 97 -22.669 -5.769 -16.762 1.00 7.57 C ATOM 1518 CD GLN A 97 -22.325 -4.948 -17.963 1.00 7.77 C ATOM 1519 OE1 GLN A 97 -22.311 -5.519 -19.051 1.00 7.58 O ATOM 1520 NE2 GLN A 97 -21.930 -3.682 -17.782 1.00 7.49 N ATOM 1521 HA GLN A 97 -22.619 -7.737 -14.933 1.00 0.00 H ATOM 1522 HB2 GLN A 97 -20.739 -5.549 -15.879 1.00 0.00 H ATOM 1523 HB3 GLN A 97 -20.965 -7.052 -16.804 1.00 0.00 H ATOM 1524 HG2 GLN A 97 -23.328 -6.582 -17.068 1.00 0.00 H ATOM 1525 HG3 GLN A 97 -23.185 -5.137 -16.039 1.00 0.00 H ATOM 1526 HE22 GLN A 97 -21.967 -3.256 -16.834 1.00 0.00 H ATOM 1527 HE21 GLN A 97 -21.586 -3.124 -18.590 1.00 0.00 H ATOM 1528 H GLN A 97 -21.850 -5.107 -13.956 1.00 0.00 H ATOM 1529 N LEU A 98 -19.667 -7.555 -13.649 1.00 8.17 N ATOM 1530 CA LEU A 98 -18.561 -8.410 -13.211 1.00 9.23 C ATOM 1531 C LEU A 98 -18.915 -9.224 -11.973 1.00 11.81 C ATOM 1532 O LEU A 98 -18.062 -9.957 -11.436 1.00 17.07 O ATOM 1533 CB LEU A 98 -17.321 -7.553 -13.004 1.00 9.80 C ATOM 1534 CG LEU A 98 -16.699 -7.028 -14.294 1.00 9.93 C ATOM 1535 CD1 LEU A 98 -15.709 -5.909 -14.040 1.00 11.85 C ATOM 1536 CD2 LEU A 98 -15.958 -8.142 -15.020 1.00 13.98 C ATOM 1537 HA LEU A 98 -18.354 -9.144 -13.990 1.00 0.00 H ATOM 1538 HB2 LEU A 98 -17.595 -6.699 -12.385 1.00 0.00 H ATOM 1539 HB3 LEU A 98 -16.574 -8.153 -12.484 1.00 0.00 H ATOM 1540 HG LEU A 98 -17.523 -6.648 -14.898 1.00 0.00 H ATOM 1541 HD21 LEU A 98 -15.168 -8.530 -14.377 1.00 0.00 H ATOM 1542 HD22 LEU A 98 -16.656 -8.943 -15.263 1.00 0.00 H ATOM 1543 HD23 LEU A 98 -15.521 -7.748 -15.938 1.00 0.00 H ATOM 1544 HD11 LEU A 98 -16.218 -5.080 -13.548 1.00 0.00 H ATOM 1545 HD12 LEU A 98 -14.905 -6.275 -13.401 1.00 0.00 H ATOM 1546 HD13 LEU A 98 -15.294 -5.570 -14.989 1.00 0.00 H ATOM 1547 H LEU A 98 -19.737 -6.579 -13.295 1.00 0.00 H ATOM 1548 N GLY A 99 -20.166 -9.171 -11.528 1.00 12.19 N ATOM 1549 CA GLY A 99 -20.647 -10.016 -10.413 1.00 15.93 C ATOM 1550 C GLY A 99 -20.389 -9.444 -9.032 1.00 19.69 C ATOM 1551 O GLY A 99 -20.272 -10.195 -8.075 1.00 24.38 O ATOM 1552 HA3 GLY A 99 -20.149 -10.983 -10.479 1.00 0.00 H ATOM 1553 HA2 GLY A 99 -21.722 -10.154 -10.529 1.00 0.00 H ATOM 1554 H GLY A 99 -20.831 -8.512 -11.980 1.00 0.00 H ATOM 1555 N HIS A 100 -20.316 -8.107 -8.926 1.00 19.13 N ATOM 1556 CA HIS A 100 -20.027 -7.402 -7.678 1.00 21.48 C ATOM 1557 C HIS A 100 -21.230 -6.529 -7.262 1.00 24.27 C ATOM 1558 O HIS A 100 -21.779 -5.810 -8.116 1.00 23.63 O ATOM 1559 CB HIS A 100 -18.695 -6.627 -7.837 1.00 21.20 C ATOM 1560 CG HIS A 100 -17.530 -7.467 -8.434 1.00 20.24 C ATOM 1561 ND1 HIS A 100 -17.193 -8.695 -7.977 1.00 30.50 N ATOM 1562 CD2 HIS A 100 -16.605 -7.169 -9.453 1.00 18.04 C ATOM 1563 CE1 HIS A 100 -16.133 -9.152 -8.664 1.00 33.24 C ATOM 1564 NE2 HIS A 100 -15.771 -8.224 -9.558 1.00 30.42 N ATOM 1565 HA HIS A 100 -19.886 -8.102 -6.854 1.00 0.00 H ATOM 1566 HB2 HIS A 100 -18.872 -5.775 -8.493 1.00 0.00 H ATOM 1567 HB3 HIS A 100 -18.389 -6.269 -6.854 1.00 0.00 H ATOM 1568 HD2 HIS A 100 -16.569 -6.256 -10.047 1.00 0.00 H ATOM 1569 HE1 HIS A 100 -15.649 -10.117 -8.518 1.00 0.00 H ATOM 1570 H HIS A 100 -20.475 -7.539 -9.783 1.00 0.00 H ATOM 1571 N ASN A 101 -21.585 -6.568 -5.969 1.00 25.99 N ATOM 1572 CA ASN A 101 -22.606 -5.699 -5.428 1.00 28.48 C ATOM 1573 C ASN A 101 -22.034 -4.418 -4.820 1.00 28.09 C ATOM 1574 O ASN A 101 -22.771 -3.517 -4.395 1.00 33.76 O ATOM 1575 CB ASN A 101 -23.458 -6.471 -4.392 1.00 44.12 C ATOM 1576 CG ASN A 101 -22.619 -7.139 -3.287 1.00 54.16 C ATOM 1577 OD1 ASN A 101 -23.131 -7.402 -2.193 1.00 72.04 O ATOM 1578 ND2 ASN A 101 -21.350 -7.443 -3.570 1.00 48.59 N ATOM 1579 HA ASN A 101 -23.240 -5.385 -6.257 1.00 0.00 H ATOM 1580 HB2 ASN A 101 -24.152 -5.772 -3.925 1.00 0.00 H ATOM 1581 HB3 ASN A 101 -24.021 -7.245 -4.914 1.00 0.00 H ATOM 1582 HD22 ASN A 101 -20.954 -7.206 -4.502 1.00 0.00 H ATOM 1583 HD21 ASN A 101 -20.758 -7.917 -2.859 1.00 0.00 H ATOM 1584 H ASN A 101 -21.111 -7.244 -5.336 1.00 0.00 H ATOM 1585 N TYR A 102 -20.715 -4.346 -4.808 1.00 16.41 N ATOM 1586 CA TYR A 102 -20.004 -3.164 -4.363 1.00 10.82 C ATOM 1587 C TYR A 102 -19.293 -2.562 -5.553 1.00 9.73 C ATOM 1588 O TYR A 102 -19.041 -3.225 -6.572 1.00 16.91 O ATOM 1589 CB TYR A 102 -18.939 -3.569 -3.353 1.00 14.22 C ATOM 1590 CG TYR A 102 -17.965 -4.611 -3.987 1.00 15.64 C ATOM 1591 CD1 TYR A 102 -16.859 -4.182 -4.731 1.00 16.04 C ATOM 1592 CD2 TYR A 102 -18.132 -5.994 -3.785 1.00 19.11 C ATOM 1593 CE1 TYR A 102 -15.974 -5.046 -5.308 1.00 16.51 C ATOM 1594 CE2 TYR A 102 -17.238 -6.901 -4.326 1.00 23.66 C ATOM 1595 CZ TYR A 102 -16.172 -6.456 -5.105 1.00 20.47 C ATOM 1596 OH TYR A 102 -15.313 -7.440 -5.597 1.00 26.10 O ATOM 1597 HA TYR A 102 -20.706 -2.458 -3.918 1.00 0.00 H ATOM 1598 HB3 TYR A 102 -19.419 -4.010 -2.479 1.00 0.00 H ATOM 1599 HB2 TYR A 102 -18.375 -2.687 -3.050 1.00 0.00 H ATOM 1600 HD2 TYR A 102 -18.975 -6.355 -3.196 1.00 0.00 H ATOM 1601 HE2 TYR A 102 -17.368 -7.967 -4.142 1.00 0.00 H ATOM 1602 HE1 TYR A 102 -15.140 -4.678 -5.906 1.00 0.00 H ATOM 1603 HD1 TYR A 102 -16.698 -3.111 -4.855 1.00 0.00 H ATOM 1604 HH TYR A 102 -14.598 -7.014 -6.133 1.00 0.00 H ATOM 1605 H TYR A 102 -20.166 -5.169 -5.130 1.00 0.00 H ATOM 1606 N ILE A 103 -18.931 -1.305 -5.452 1.00 6.74 N ATOM 1607 CA ILE A 103 -18.200 -0.616 -6.472 1.00 6.18 C ATOM 1608 C ILE A 103 -16.782 -0.411 -5.934 1.00 5.56 C ATOM 1609 O ILE A 103 -16.595 0.333 -4.970 1.00 7.32 O ATOM 1610 CB ILE A 103 -18.897 0.725 -6.833 1.00 6.73 C ATOM 1611 CG1 ILE A 103 -20.329 0.468 -7.316 1.00 9.40 C ATOM 1612 CG2 ILE A 103 -18.154 1.381 -7.982 1.00 5.77 C ATOM 1613 CD1 ILE A 103 -21.444 0.513 -6.314 1.00 12.76 C ATOM 1614 HA ILE A 103 -18.164 -1.190 -7.398 1.00 0.00 H ATOM 1615 HB ILE A 103 -18.901 1.357 -5.945 1.00 0.00 H ATOM 1616 HG12 ILE A 103 -20.551 1.216 -8.077 1.00 0.00 H ATOM 1617 HG13 ILE A 103 -20.343 -0.524 -7.768 1.00 0.00 H ATOM 1618 HD11 ILE A 103 -21.271 -0.240 -5.545 1.00 0.00 H ATOM 1619 HD12 ILE A 103 -21.479 1.501 -5.855 1.00 0.00 H ATOM 1620 HD13 ILE A 103 -22.390 0.311 -6.816 1.00 0.00 H ATOM 1621 HG21 ILE A 103 -17.123 1.573 -7.684 1.00 0.00 H ATOM 1622 HG22 ILE A 103 -18.166 0.718 -8.847 1.00 0.00 H ATOM 1623 HG23 ILE A 103 -18.641 2.322 -8.238 1.00 0.00 H ATOM 1624 H ILE A 103 -19.187 -0.784 -4.589 1.00 0.00 H ATOM 1625 N GLY A 104 -15.814 -1.077 -6.556 1.00 6.06 N ATOM 1626 CA GLY A 104 -14.445 -0.954 -6.165 1.00 7.11 C ATOM 1627 C GLY A 104 -13.660 -0.040 -7.091 1.00 5.67 C ATOM 1628 O GLY A 104 -14.184 0.456 -8.092 1.00 5.95 O ATOM 1629 HA3 GLY A 104 -13.987 -1.943 -6.177 1.00 0.00 H ATOM 1630 HA2 GLY A 104 -14.404 -0.548 -5.154 1.00 0.00 H ATOM 1631 H GLY A 104 -16.060 -1.704 -7.348 1.00 0.00 H ATOM 1632 N THR A 105 -12.388 0.179 -6.775 1.00 5.98 N ATOM 1633 CA THR A 105 -11.579 1.069 -7.612 1.00 5.57 C ATOM 1634 C THR A 105 -11.572 0.620 -9.056 1.00 5.08 C ATOM 1635 O THR A 105 -11.569 1.457 -9.969 1.00 5.89 O ATOM 1636 CB THR A 105 -10.144 1.274 -7.058 1.00 5.54 C ATOM 1637 OG1 THR A 105 -9.378 0.063 -7.230 1.00 6.57 O ATOM 1638 CG2 THR A 105 -10.116 1.736 -5.610 1.00 7.76 C ATOM 1639 HA THR A 105 -12.057 2.048 -7.578 1.00 0.00 H ATOM 1640 HB THR A 105 -9.690 2.081 -7.634 1.00 0.00 H ATOM 1641 HG1 THR A 105 -9.817 -0.676 -6.739 1.00 0.00 H ATOM 1642 HG23 THR A 105 -10.701 2.650 -5.510 1.00 0.00 H ATOM 1643 HG21 THR A 105 -10.541 0.960 -4.974 1.00 0.00 H ATOM 1644 HG22 THR A 105 -9.086 1.928 -5.311 1.00 0.00 H ATOM 1645 H THR A 105 -11.970 -0.278 -5.940 1.00 0.00 H ATOM 1646 N GLU A 106 -11.517 -0.706 -9.281 1.00 5.79 N ATOM 1647 CA GLU A 106 -11.481 -1.192 -10.663 1.00 6.37 C ATOM 1648 C GLU A 106 -12.721 -0.778 -11.441 1.00 5.05 C ATOM 1649 O GLU A 106 -12.624 -0.579 -12.649 1.00 5.72 O ATOM 1650 CB GLU A 106 -11.348 -2.723 -10.712 1.00 9.39 C ATOM 1651 CG GLU A 106 -12.406 -3.547 -10.013 1.00 11.80 C ATOM 1652 CD GLU A 106 -12.153 -3.776 -8.540 1.00 12.54 C ATOM 1653 OE1 GLU A 106 -11.522 -3.000 -7.816 1.00 11.53 O ATOM 1654 OE2 GLU A 106 -12.632 -4.808 -8.086 1.00 23.36 O ATOM 1655 HA GLU A 106 -10.606 -0.737 -11.127 1.00 0.00 H ATOM 1656 HB2 GLU A 106 -11.349 -3.016 -11.762 1.00 0.00 H ATOM 1657 HB3 GLU A 106 -10.388 -2.980 -10.265 1.00 0.00 H ATOM 1658 HG2 GLU A 106 -13.362 -3.034 -10.119 1.00 0.00 H ATOM 1659 HG3 GLU A 106 -12.460 -4.519 -10.504 1.00 0.00 H ATOM 1660 H GLU A 106 -11.500 -1.376 -8.486 1.00 0.00 H ATOM 1661 N HIS A 107 -13.858 -0.682 -10.767 1.00 5.23 N ATOM 1662 CA HIS A 107 -15.091 -0.346 -11.484 1.00 4.94 C ATOM 1663 C HIS A 107 -15.138 1.119 -11.839 1.00 4.75 C ATOM 1664 O HIS A 107 -15.720 1.470 -12.858 1.00 5.30 O ATOM 1665 CB HIS A 107 -16.294 -0.773 -10.650 1.00 5.86 C ATOM 1666 CG HIS A 107 -16.210 -2.203 -10.260 1.00 5.90 C ATOM 1667 ND1 HIS A 107 -16.193 -2.630 -8.964 1.00 7.36 N ATOM 1668 CD2 HIS A 107 -16.069 -3.336 -11.056 1.00 7.32 C ATOM 1669 CE1 HIS A 107 -16.066 -3.974 -8.973 1.00 8.18 C ATOM 1670 NE2 HIS A 107 -15.993 -4.401 -10.244 1.00 8.06 N ATOM 1671 HA HIS A 107 -15.116 -0.891 -12.428 1.00 0.00 H ATOM 1672 HB2 HIS A 107 -16.334 -0.162 -9.748 1.00 0.00 H ATOM 1673 HB3 HIS A 107 -17.202 -0.618 -11.233 1.00 0.00 H ATOM 1674 HD2 HIS A 107 -16.028 -3.355 -12.145 1.00 0.00 H ATOM 1675 HE1 HIS A 107 -16.029 -4.611 -8.089 1.00 0.00 H ATOM 1676 H HIS A 107 -13.875 -0.843 -9.740 1.00 0.00 H ATOM 1677 N ILE A 108 -14.530 1.983 -11.011 1.00 5.30 N ATOM 1678 CA ILE A 108 -14.384 3.392 -11.372 1.00 5.09 C ATOM 1679 C ILE A 108 -13.454 3.510 -12.591 1.00 4.93 C ATOM 1680 O ILE A 108 -13.771 4.229 -13.546 1.00 5.68 O ATOM 1681 CB ILE A 108 -13.872 4.217 -10.193 1.00 5.02 C ATOM 1682 CG1 ILE A 108 -14.873 4.155 -9.023 1.00 6.05 C ATOM 1683 CG2 ILE A 108 -13.597 5.632 -10.642 1.00 5.74 C ATOM 1684 CD1 ILE A 108 -14.347 4.849 -7.767 1.00 7.54 C ATOM 1685 HA ILE A 108 -15.362 3.796 -11.635 1.00 0.00 H ATOM 1686 HB ILE A 108 -12.933 3.799 -9.830 1.00 0.00 H ATOM 1687 HG12 ILE A 108 -15.800 4.640 -9.329 1.00 0.00 H ATOM 1688 HG13 ILE A 108 -15.072 3.110 -8.788 1.00 0.00 H ATOM 1689 HD11 ILE A 108 -13.424 4.366 -7.446 1.00 0.00 H ATOM 1690 HD12 ILE A 108 -14.152 5.898 -7.988 1.00 0.00 H ATOM 1691 HD13 ILE A 108 -15.091 4.776 -6.974 1.00 0.00 H ATOM 1692 HG21 ILE A 108 -12.844 5.622 -11.430 1.00 0.00 H ATOM 1693 HG22 ILE A 108 -14.517 6.077 -11.022 1.00 0.00 H ATOM 1694 HG23 ILE A 108 -13.232 6.216 -9.797 1.00 0.00 H ATOM 1695 H ILE A 108 -14.158 1.645 -10.100 1.00 0.00 H ATOM 1696 N LEU A 109 -12.332 2.779 -12.608 1.00 5.11 N ATOM 1697 CA LEU A 109 -11.482 2.802 -13.772 1.00 5.25 C ATOM 1698 C LEU A 109 -12.240 2.303 -15.006 1.00 5.32 C ATOM 1699 O LEU A 109 -12.133 2.897 -16.095 1.00 5.96 O ATOM 1700 CB LEU A 109 -10.199 2.018 -13.533 1.00 5.71 C ATOM 1701 CG LEU A 109 -9.258 1.904 -14.720 1.00 5.79 C ATOM 1702 CD1 LEU A 109 -8.832 3.255 -15.291 1.00 6.79 C ATOM 1703 CD2 LEU A 109 -8.048 1.046 -14.337 1.00 6.96 C ATOM 1704 HA LEU A 109 -11.191 3.835 -13.964 1.00 0.00 H ATOM 1705 HB2 LEU A 109 -9.657 2.505 -12.722 1.00 0.00 H ATOM 1706 HB3 LEU A 109 -10.476 1.009 -13.229 1.00 0.00 H ATOM 1707 HG LEU A 109 -9.808 1.415 -15.524 1.00 0.00 H ATOM 1708 HD21 LEU A 109 -7.524 1.511 -13.502 1.00 0.00 H ATOM 1709 HD22 LEU A 109 -8.387 0.052 -14.046 1.00 0.00 H ATOM 1710 HD23 LEU A 109 -7.375 0.967 -15.191 1.00 0.00 H ATOM 1711 HD11 LEU A 109 -9.714 3.802 -15.624 1.00 0.00 H ATOM 1712 HD12 LEU A 109 -8.318 3.828 -14.520 1.00 0.00 H ATOM 1713 HD13 LEU A 109 -8.161 3.096 -16.135 1.00 0.00 H ATOM 1714 H LEU A 109 -12.075 2.197 -11.785 1.00 0.00 H ATOM 1715 N LEU A 110 -12.971 1.196 -14.856 1.00 5.43 N ATOM 1716 CA LEU A 110 -13.740 0.682 -15.988 1.00 5.34 C ATOM 1717 C LEU A 110 -14.806 1.671 -16.464 1.00 5.39 C ATOM 1718 O LEU A 110 -15.038 1.811 -17.652 1.00 5.72 O ATOM 1719 CB LEU A 110 -14.324 -0.689 -15.652 1.00 5.55 C ATOM 1720 CG LEU A 110 -13.303 -1.821 -15.506 1.00 6.01 C ATOM 1721 CD1 LEU A 110 -13.961 -3.015 -14.861 1.00 7.56 C ATOM 1722 CD2 LEU A 110 -12.702 -2.197 -16.855 1.00 6.95 C ATOM 1723 HA LEU A 110 -13.059 0.558 -16.830 1.00 0.00 H ATOM 1724 HB2 LEU A 110 -14.867 -0.602 -14.711 1.00 0.00 H ATOM 1725 HB3 LEU A 110 -15.018 -0.963 -16.446 1.00 0.00 H ATOM 1726 HG LEU A 110 -12.488 -1.477 -14.870 1.00 0.00 H ATOM 1727 HD21 LEU A 110 -13.495 -2.527 -17.525 1.00 0.00 H ATOM 1728 HD22 LEU A 110 -12.201 -1.329 -17.283 1.00 0.00 H ATOM 1729 HD23 LEU A 110 -11.981 -3.003 -16.718 1.00 0.00 H ATOM 1730 HD11 LEU A 110 -14.335 -2.734 -13.876 1.00 0.00 H ATOM 1731 HD12 LEU A 110 -14.790 -3.352 -15.484 1.00 0.00 H ATOM 1732 HD13 LEU A 110 -13.232 -3.819 -14.759 1.00 0.00 H ATOM 1733 H LEU A 110 -12.993 0.703 -13.941 1.00 0.00 H ATOM 1734 N GLY A 111 -15.437 2.388 -15.534 1.00 5.78 N ATOM 1735 CA GLY A 111 -16.402 3.424 -15.927 1.00 6.64 C ATOM 1736 C GLY A 111 -15.727 4.548 -16.699 1.00 6.08 C ATOM 1737 O GLY A 111 -16.311 5.105 -17.624 1.00 6.93 O ATOM 1738 HA3 GLY A 111 -16.864 3.837 -15.030 1.00 0.00 H ATOM 1739 HA2 GLY A 111 -17.170 2.973 -16.555 1.00 0.00 H ATOM 1740 H GLY A 111 -15.246 2.213 -14.527 1.00 0.00 H ATOM 1741 N LEU A 112 -14.507 4.894 -16.268 1.00 6.67 N ATOM 1742 CA LEU A 112 -13.807 5.942 -16.927 1.00 6.44 C ATOM 1743 C LEU A 112 -13.472 5.590 -18.388 1.00 6.41 C ATOM 1744 O LEU A 112 -13.660 6.404 -19.289 1.00 7.83 O ATOM 1745 CB LEU A 112 -12.613 6.248 -16.072 1.00 5.22 C ATOM 1746 CG LEU A 112 -11.717 7.380 -16.526 1.00 4.65 C ATOM 1747 CD1 LEU A 112 -11.019 7.993 -15.322 1.00 5.40 C ATOM 1748 CD2 LEU A 112 -10.773 6.984 -17.632 1.00 6.01 C ATOM 1749 HA LEU A 112 -14.420 6.838 -17.026 1.00 0.00 H ATOM 1750 HB2 LEU A 112 -12.977 6.495 -15.075 1.00 0.00 H ATOM 1751 HB3 LEU A 112 -12.004 5.346 -16.022 1.00 0.00 H ATOM 1752 HG LEU A 112 -12.342 8.150 -16.979 1.00 0.00 H ATOM 1753 HD21 LEU A 112 -10.131 6.174 -17.287 1.00 0.00 H ATOM 1754 HD22 LEU A 112 -11.347 6.651 -18.497 1.00 0.00 H ATOM 1755 HD23 LEU A 112 -10.160 7.842 -17.909 1.00 0.00 H ATOM 1756 HD11 LEU A 112 -11.766 8.378 -14.628 1.00 0.00 H ATOM 1757 HD12 LEU A 112 -10.418 7.231 -14.825 1.00 0.00 H ATOM 1758 HD13 LEU A 112 -10.375 8.808 -15.653 1.00 0.00 H ATOM 1759 H LEU A 112 -14.076 4.401 -15.460 1.00 0.00 H ATOM 1760 N ILE A 113 -13.018 4.367 -18.612 1.00 5.84 N ATOM 1761 CA ILE A 113 -12.734 3.973 -19.977 1.00 7.23 C ATOM 1762 C ILE A 113 -14.005 3.741 -20.788 1.00 6.14 C ATOM 1763 O ILE A 113 -13.983 3.936 -21.994 1.00 8.13 O ATOM 1764 CB ILE A 113 -11.699 2.884 -20.075 1.00 7.47 C ATOM 1765 CG1 ILE A 113 -12.218 1.650 -19.445 1.00 6.67 C ATOM 1766 CG2 ILE A 113 -10.340 3.302 -19.465 1.00 9.56 C ATOM 1767 CD1 ILE A 113 -11.261 0.490 -19.624 1.00 7.19 C ATOM 1768 HA ILE A 113 -12.253 4.822 -20.463 1.00 0.00 H ATOM 1769 HB ILE A 113 -11.508 2.694 -21.131 1.00 0.00 H ATOM 1770 HG12 ILE A 113 -12.362 1.830 -18.380 1.00 0.00 H ATOM 1771 HG13 ILE A 113 -13.174 1.394 -19.901 1.00 0.00 H ATOM 1772 HD11 ILE A 113 -11.117 0.300 -20.688 1.00 0.00 H ATOM 1773 HD12 ILE A 113 -10.304 0.736 -19.164 1.00 0.00 H ATOM 1774 HD13 ILE A 113 -11.676 -0.399 -19.148 1.00 0.00 H ATOM 1775 HG21 ILE A 113 -9.960 4.176 -19.993 1.00 0.00 H ATOM 1776 HG22 ILE A 113 -10.475 3.544 -18.411 1.00 0.00 H ATOM 1777 HG23 ILE A 113 -9.631 2.480 -19.563 1.00 0.00 H ATOM 1778 H ILE A 113 -12.868 3.703 -17.825 1.00 0.00 H ATOM 1779 N ARG A 114 -15.100 3.316 -20.124 1.00 6.63 N ATOM 1780 CA ARG A 114 -16.377 3.140 -20.836 1.00 7.01 C ATOM 1781 C ARG A 114 -16.880 4.504 -21.347 1.00 7.02 C ATOM 1782 O ARG A 114 -17.374 4.626 -22.462 1.00 9.32 O ATOM 1783 CB ARG A 114 -17.392 2.527 -19.880 1.00 6.84 C ATOM 1784 CG ARG A 114 -18.757 2.225 -20.474 1.00 8.88 C ATOM 1785 CD ARG A 114 -18.717 1.097 -21.472 1.00 9.50 C ATOM 1786 NE ARG A 114 -18.308 -0.136 -20.776 1.00 8.50 N ATOM 1787 CZ ARG A 114 -17.736 -1.196 -21.350 1.00 8.02 C ATOM 1788 NH1 ARG A 114 -17.571 -1.221 -22.681 1.00 10.36 N ATOM 1789 NH2 ARG A 114 -17.360 -2.227 -20.583 1.00 8.34 N ATOM 1790 HA ARG A 114 -16.239 2.479 -21.692 1.00 0.00 H ATOM 1791 HB2 ARG A 114 -16.976 1.592 -19.503 1.00 0.00 H ATOM 1792 HB3 ARG A 114 -17.533 3.221 -19.051 1.00 0.00 H ATOM 1793 HG2 ARG A 114 -19.437 1.954 -19.667 1.00 0.00 H ATOM 1794 HG3 ARG A 114 -19.127 3.121 -20.973 1.00 0.00 H ATOM 1795 HD2 ARG A 114 -18.000 1.329 -22.260 1.00 0.00 H ATOM 1796 HD3 ARG A 114 -19.705 0.960 -21.911 1.00 0.00 H ATOM 1797 HE ARG A 114 -18.480 -0.184 -19.751 1.00 0.00 H ATOM 1798 HH12 ARG A 114 -17.126 -2.044 -23.134 1.00 0.00 H ATOM 1799 HH11 ARG A 114 -17.888 -0.417 -23.260 1.00 0.00 H ATOM 1800 HH22 ARG A 114 -16.913 -3.061 -21.015 1.00 0.00 H ATOM 1801 HH21 ARG A 114 -17.515 -2.194 -19.555 1.00 0.00 H ATOM 1802 H ARG A 114 -15.042 3.112 -19.106 1.00 0.00 H ATOM 1803 N GLU A 115 -16.784 5.541 -20.525 1.00 7.82 N ATOM 1804 CA GLU A 115 -17.191 6.890 -20.949 1.00 8.28 C ATOM 1805 C GLU A 115 -16.322 7.268 -22.157 1.00 7.84 C ATOM 1806 O GLU A 115 -16.829 7.720 -23.188 1.00 9.15 O ATOM 1807 CB GLU A 115 -17.070 7.868 -19.795 1.00 9.07 C ATOM 1808 CG GLU A 115 -17.710 9.230 -20.082 1.00 10.97 C ATOM 1809 CD GLU A 115 -16.893 10.168 -20.959 1.00 10.47 C ATOM 1810 OE1 GLU A 115 -15.638 10.070 -20.988 1.00 10.36 O ATOM 1811 OE2 GLU A 115 -17.552 11.019 -21.573 1.00 13.22 O ATOM 1812 HA GLU A 115 -18.239 6.920 -21.247 1.00 0.00 H ATOM 1813 HB2 GLU A 115 -17.557 7.434 -18.922 1.00 0.00 H ATOM 1814 HB3 GLU A 115 -16.012 8.021 -19.581 1.00 0.00 H ATOM 1815 HG2 GLU A 115 -18.665 9.055 -20.577 1.00 0.00 H ATOM 1816 HG3 GLU A 115 -17.883 9.728 -19.128 1.00 0.00 H ATOM 1817 H GLU A 115 -16.414 5.398 -19.564 1.00 0.00 H ATOM 1818 N GLY A 116 -15.015 7.077 -22.023 1.00 8.07 N ATOM 1819 CA GLY A 116 -14.114 6.998 -23.140 1.00 9.15 C ATOM 1820 C GLY A 116 -13.851 8.240 -23.959 1.00 8.89 C ATOM 1821 O GLY A 116 -13.187 8.145 -24.988 1.00 10.63 O ATOM 1822 HA3 GLY A 116 -14.513 6.245 -23.820 1.00 0.00 H ATOM 1823 HA2 GLY A 116 -13.153 6.662 -22.752 1.00 0.00 H ATOM 1824 H GLY A 116 -14.625 6.980 -21.064 1.00 0.00 H ATOM 1825 N GLU A 117 -14.264 9.418 -23.467 1.00 8.41 N ATOM 1826 CA GLU A 117 -14.244 10.627 -24.308 1.00 9.32 C ATOM 1827 C GLU A 117 -13.638 11.843 -23.647 1.00 10.19 C ATOM 1828 O GLU A 117 -13.096 12.700 -24.334 1.00 12.88 O ATOM 1829 CB GLU A 117 -15.628 10.942 -24.858 1.00 10.70 C ATOM 1830 CG GLU A 117 -16.166 9.917 -25.838 1.00 14.77 C ATOM 1831 CD GLU A 117 -17.597 10.235 -26.238 1.00 22.31 C ATOM 1832 OE1 GLU A 117 -18.194 11.201 -25.702 1.00 27.81 O ATOM 1833 OE2 GLU A 117 -18.118 9.515 -27.094 1.00 48.46 O ATOM 1834 HA GLU A 117 -13.577 10.383 -25.135 1.00 0.00 H ATOM 1835 HB2 GLU A 117 -16.321 11.007 -24.019 1.00 0.00 H ATOM 1836 HB3 GLU A 117 -15.582 11.906 -25.365 1.00 0.00 H ATOM 1837 HG2 GLU A 117 -15.540 9.915 -26.730 1.00 0.00 H ATOM 1838 HG3 GLU A 117 -16.137 8.931 -25.373 1.00 0.00 H ATOM 1839 H GLU A 117 -14.601 9.478 -22.485 1.00 0.00 H ATOM 1840 N GLY A 118 -13.641 11.905 -22.337 1.00 7.62 N ATOM 1841 CA GLY A 118 -13.191 13.117 -21.643 1.00 8.58 C ATOM 1842 C GLY A 118 -11.698 13.170 -21.474 1.00 6.65 C ATOM 1843 O GLY A 118 -10.910 12.484 -22.156 1.00 8.31 O ATOM 1844 HA3 GLY A 118 -13.655 13.147 -20.657 1.00 0.00 H ATOM 1845 HA2 GLY A 118 -13.508 13.987 -22.219 1.00 0.00 H ATOM 1846 H GLY A 118 -13.966 11.086 -21.784 1.00 0.00 H ATOM 1847 N VAL A 119 -11.275 14.077 -20.629 1.00 6.18 N ATOM 1848 CA VAL A 119 -9.848 14.400 -20.492 1.00 6.33 C ATOM 1849 C VAL A 119 -9.022 13.196 -20.022 1.00 5.89 C ATOM 1850 O VAL A 119 -7.952 12.948 -20.562 1.00 7.22 O ATOM 1851 CB VAL A 119 -9.654 15.614 -19.552 1.00 7.31 C ATOM 1852 CG1 VAL A 119 -8.171 15.923 -19.371 1.00 8.18 C ATOM 1853 CG2 VAL A 119 -10.438 16.835 -20.063 1.00 10.08 C ATOM 1854 HA VAL A 119 -9.477 14.666 -21.482 1.00 0.00 H ATOM 1855 HB VAL A 119 -10.057 15.361 -18.571 1.00 0.00 H ATOM 1856 HG11 VAL A 119 -7.671 15.057 -18.937 1.00 0.00 H ATOM 1857 HG12 VAL A 119 -7.728 16.152 -20.340 1.00 0.00 H ATOM 1858 HG13 VAL A 119 -8.058 16.780 -18.707 1.00 0.00 H ATOM 1859 HG21 VAL A 119 -10.084 17.102 -21.059 1.00 0.00 H ATOM 1860 HG22 VAL A 119 -11.499 16.591 -20.107 1.00 0.00 H ATOM 1861 HG23 VAL A 119 -10.284 17.674 -19.384 1.00 0.00 H ATOM 1862 H VAL A 119 -11.967 14.582 -20.040 1.00 0.00 H ATOM 1863 N ALA A 120 -9.545 12.418 -19.083 1.00 5.85 N ATOM 1864 CA ALA A 120 -8.809 11.218 -18.670 1.00 6.24 C ATOM 1865 C ALA A 120 -8.558 10.274 -19.854 1.00 6.02 C ATOM 1866 O ALA A 120 -7.455 9.725 -19.971 1.00 6.49 O ATOM 1867 CB ALA A 120 -9.557 10.490 -17.595 1.00 6.76 C ATOM 1868 HA ALA A 120 -7.844 11.544 -18.283 1.00 0.00 H ATOM 1869 HB1 ALA A 120 -9.681 11.145 -16.733 1.00 0.00 H ATOM 1870 HB2 ALA A 120 -10.536 10.194 -17.972 1.00 0.00 H ATOM 1871 HB3 ALA A 120 -8.996 9.603 -17.301 1.00 0.00 H ATOM 1872 H ALA A 120 -10.460 12.654 -18.648 1.00 0.00 H ATOM 1873 N ALA A 121 -9.580 10.032 -20.669 1.00 6.86 N ATOM 1874 CA ALA A 121 -9.431 9.115 -21.818 1.00 7.75 C ATOM 1875 C ALA A 121 -8.389 9.662 -22.773 1.00 7.66 C ATOM 1876 O ALA A 121 -7.564 8.944 -23.316 1.00 9.45 O ATOM 1877 CB ALA A 121 -10.756 8.893 -22.496 1.00 9.64 C ATOM 1878 HA ALA A 121 -9.088 8.142 -21.465 1.00 0.00 H ATOM 1879 HB1 ALA A 121 -11.458 8.457 -21.785 1.00 0.00 H ATOM 1880 HB2 ALA A 121 -11.144 9.847 -22.853 1.00 0.00 H ATOM 1881 HB3 ALA A 121 -10.622 8.215 -23.339 1.00 0.00 H ATOM 1882 H ALA A 121 -10.496 10.494 -20.496 1.00 0.00 H ATOM 1883 N GLN A 122 -8.425 10.984 -22.999 1.00 7.96 N ATOM 1884 CA GLN A 122 -7.431 11.625 -23.861 1.00 9.02 C ATOM 1885 C GLN A 122 -6.029 11.450 -23.314 1.00 8.04 C ATOM 1886 O GLN A 122 -5.114 11.121 -24.070 1.00 10.32 O ATOM 1887 CB GLN A 122 -7.752 13.110 -24.012 1.00 11.18 C ATOM 1888 CG GLN A 122 -9.099 13.349 -24.693 1.00 15.08 C ATOM 1889 CD GLN A 122 -9.652 14.726 -24.466 1.00 16.78 C ATOM 1890 OE1 GLN A 122 -8.898 15.707 -24.458 1.00 23.12 O ATOM 1891 NE2 GLN A 122 -10.977 14.830 -24.346 1.00 14.66 N ATOM 1892 HA GLN A 122 -7.472 11.144 -24.838 1.00 0.00 H ATOM 1893 HB2 GLN A 122 -7.774 13.566 -23.022 1.00 0.00 H ATOM 1894 HB3 GLN A 122 -6.970 13.579 -24.609 1.00 0.00 H ATOM 1895 HG2 GLN A 122 -8.974 13.200 -25.766 1.00 0.00 H ATOM 1896 HG3 GLN A 122 -9.814 12.622 -24.307 1.00 0.00 H ATOM 1897 HE22 GLN A 122 -11.569 13.975 -24.359 1.00 0.00 H ATOM 1898 HE21 GLN A 122 -11.418 15.766 -24.240 1.00 0.00 H ATOM 1899 H GLN A 122 -9.169 11.561 -22.556 1.00 0.00 H ATOM 1900 N VAL A 123 -5.879 11.604 -22.014 1.00 7.58 N ATOM 1901 CA VAL A 123 -4.578 11.409 -21.379 1.00 7.98 C ATOM 1902 C VAL A 123 -4.069 9.995 -21.531 1.00 6.99 C ATOM 1903 O VAL A 123 -2.910 9.778 -21.854 1.00 8.43 O ATOM 1904 CB VAL A 123 -4.631 11.854 -19.892 1.00 7.51 C ATOM 1905 CG1 VAL A 123 -3.397 11.380 -19.120 1.00 9.26 C ATOM 1906 CG2 VAL A 123 -4.855 13.374 -19.760 1.00 9.54 C ATOM 1907 HA VAL A 123 -3.857 12.042 -21.897 1.00 0.00 H ATOM 1908 HB VAL A 123 -5.494 11.370 -19.435 1.00 0.00 H ATOM 1909 HG11 VAL A 123 -3.345 10.292 -19.153 1.00 0.00 H ATOM 1910 HG12 VAL A 123 -2.501 11.802 -19.575 1.00 0.00 H ATOM 1911 HG13 VAL A 123 -3.469 11.710 -18.084 1.00 0.00 H ATOM 1912 HG21 VAL A 123 -4.038 13.904 -20.249 1.00 0.00 H ATOM 1913 HG22 VAL A 123 -5.799 13.643 -20.234 1.00 0.00 H ATOM 1914 HG23 VAL A 123 -4.886 13.645 -18.705 1.00 0.00 H ATOM 1915 H VAL A 123 -6.699 11.868 -21.431 1.00 0.00 H ATOM 1916 N LEU A 124 -4.930 9.014 -21.247 1.00 6.98 N ATOM 1917 CA LEU A 124 -4.502 7.615 -21.359 1.00 7.66 C ATOM 1918 C LEU A 124 -4.003 7.286 -22.741 1.00 8.21 C ATOM 1919 O LEU A 124 -2.921 6.688 -22.904 1.00 9.41 O ATOM 1920 CB LEU A 124 -5.687 6.692 -20.985 1.00 7.60 C ATOM 1921 CG LEU A 124 -6.017 6.649 -19.473 1.00 7.16 C ATOM 1922 CD1 LEU A 124 -7.347 5.922 -19.251 1.00 9.25 C ATOM 1923 CD2 LEU A 124 -4.914 5.985 -18.663 1.00 9.30 C ATOM 1924 HA LEU A 124 -3.671 7.456 -20.672 1.00 0.00 H ATOM 1925 HB2 LEU A 124 -6.572 7.042 -21.517 1.00 0.00 H ATOM 1926 HB3 LEU A 124 -5.446 5.680 -21.310 1.00 0.00 H ATOM 1927 HG LEU A 124 -6.099 7.678 -19.124 1.00 0.00 H ATOM 1928 HD21 LEU A 124 -4.777 4.961 -19.010 1.00 0.00 H ATOM 1929 HD22 LEU A 124 -3.985 6.541 -18.792 1.00 0.00 H ATOM 1930 HD23 LEU A 124 -5.192 5.979 -17.609 1.00 0.00 H ATOM 1931 HD11 LEU A 124 -8.141 6.451 -19.778 1.00 0.00 H ATOM 1932 HD12 LEU A 124 -7.271 4.904 -19.632 1.00 0.00 H ATOM 1933 HD13 LEU A 124 -7.572 5.896 -18.185 1.00 0.00 H ATOM 1934 H LEU A 124 -5.900 9.241 -20.948 1.00 0.00 H ATOM 1935 N VAL A 125 -4.754 7.691 -23.763 1.00 9.19 N ATOM 1936 CA VAL A 125 -4.333 7.397 -25.123 1.00 11.23 C ATOM 1937 C VAL A 125 -3.016 8.104 -25.418 1.00 11.49 C ATOM 1938 O VAL A 125 -2.115 7.534 -26.021 1.00 13.22 O ATOM 1939 CB VAL A 125 -5.449 7.812 -26.108 1.00 14.06 C ATOM 1940 CG1 VAL A 125 -4.964 7.816 -27.575 1.00 17.60 C ATOM 1941 CG2 VAL A 125 -6.656 6.917 -25.922 1.00 14.01 C ATOM 1942 HA VAL A 125 -4.164 6.327 -25.243 1.00 0.00 H ATOM 1943 HB VAL A 125 -5.735 8.839 -25.881 1.00 0.00 H ATOM 1944 HG11 VAL A 125 -4.139 8.521 -27.682 1.00 0.00 H ATOM 1945 HG12 VAL A 125 -4.627 6.816 -27.848 1.00 0.00 H ATOM 1946 HG13 VAL A 125 -5.785 8.114 -28.227 1.00 0.00 H ATOM 1947 HG21 VAL A 125 -6.372 5.882 -26.113 1.00 0.00 H ATOM 1948 HG22 VAL A 125 -7.023 7.012 -24.900 1.00 0.00 H ATOM 1949 HG23 VAL A 125 -7.439 7.215 -26.619 1.00 0.00 H ATOM 1950 H VAL A 125 -5.636 8.214 -23.590 1.00 0.00 H ATOM 1951 N LYS A 126 -2.876 9.353 -24.999 1.00 13.18 N ATOM 1952 CA LYS A 126 -1.638 10.088 -25.208 1.00 14.61 C ATOM 1953 C LYS A 126 -0.416 9.435 -24.534 1.00 14.09 C ATOM 1954 O LYS A 126 0.691 9.501 -25.076 1.00 21.34 O ATOM 1955 CB LYS A 126 -1.795 11.531 -24.785 1.00 16.04 C ATOM 1956 CG LYS A 126 -0.740 12.435 -25.368 1.00 21.80 C ATOM 1957 CD LYS A 126 -1.167 13.882 -25.413 1.00 22.06 C ATOM 1958 CE LYS A 126 0.072 14.726 -25.590 1.00 26.07 C ATOM 1959 NZ LYS A 126 -0.204 16.104 -25.119 1.00 25.09 N ATOM 1960 HA LYS A 126 -1.437 10.056 -26.279 1.00 0.00 H ATOM 1961 HB2 LYS A 126 -2.774 11.884 -25.111 1.00 0.00 H ATOM 1962 HB3 LYS A 126 -1.735 11.583 -23.698 1.00 0.00 H ATOM 1963 HG2 LYS A 126 0.161 12.357 -24.759 1.00 0.00 H ATOM 1964 HG3 LYS A 126 -0.521 12.105 -26.383 1.00 0.00 H ATOM 1965 HD2 LYS A 126 -1.847 14.042 -26.250 1.00 0.00 H ATOM 1966 HD3 LYS A 126 -1.668 14.150 -24.483 1.00 0.00 H ATOM 1967 HE2 LYS A 126 0.350 14.750 -26.644 1.00 0.00 H ATOM 1968 HE3 LYS A 126 0.890 14.299 -25.010 1.00 0.00 H ATOM 1969 HZ1 LYS A 126 -0.985 16.509 -25.674 1.00 0.00 H ATOM 1970 HZ2 LYS A 126 -0.469 16.079 -24.114 1.00 0.00 H ATOM 1971 HZ3 LYS A 126 0.648 16.688 -25.240 1.00 0.00 H ATOM 1972 H LYS A 126 -3.668 9.818 -24.510 1.00 0.00 H ATOM 1973 N LEU A 127 -0.627 8.784 -23.398 1.00 12.00 N ATOM 1974 CA LEU A 127 0.419 8.073 -22.682 1.00 11.42 C ATOM 1975 C LEU A 127 0.603 6.622 -23.177 1.00 12.28 C ATOM 1976 O LEU A 127 1.420 5.885 -22.610 1.00 16.14 O ATOM 1977 CB LEU A 127 0.107 8.086 -21.204 1.00 11.18 C ATOM 1978 CG LEU A 127 0.180 9.429 -20.473 1.00 11.29 C ATOM 1979 CD1 LEU A 127 -0.251 9.252 -19.034 1.00 11.92 C ATOM 1980 CD2 LEU A 127 1.614 9.981 -20.539 1.00 13.20 C ATOM 1981 HA LEU A 127 1.360 8.588 -22.875 1.00 0.00 H ATOM 1982 HB2 LEU A 127 -0.906 7.703 -21.082 1.00 0.00 H ATOM 1983 HB3 LEU A 127 0.811 7.411 -20.717 1.00 0.00 H ATOM 1984 HG LEU A 127 -0.491 10.140 -20.955 1.00 0.00 H ATOM 1985 HD21 LEU A 127 2.296 9.275 -20.065 1.00 0.00 H ATOM 1986 HD22 LEU A 127 1.900 10.121 -21.581 1.00 0.00 H ATOM 1987 HD23 LEU A 127 1.658 10.937 -20.017 1.00 0.00 H ATOM 1988 HD11 LEU A 127 -1.275 8.880 -19.006 1.00 0.00 H ATOM 1989 HD12 LEU A 127 0.410 8.537 -18.543 1.00 0.00 H ATOM 1990 HD13 LEU A 127 -0.197 10.211 -18.519 1.00 0.00 H ATOM 1991 H LEU A 127 -1.588 8.782 -23.000 1.00 0.00 H ATOM 1992 N GLY A 128 -0.111 6.226 -24.243 1.00 11.91 N ATOM 1993 CA GLY A 128 0.107 4.908 -24.880 1.00 12.98 C ATOM 1994 C GLY A 128 -0.782 3.810 -24.380 1.00 11.21 C ATOM 1995 O GLY A 128 -0.505 2.677 -24.707 1.00 14.42 O ATOM 1996 HA3 GLY A 128 1.141 4.613 -24.703 1.00 0.00 H ATOM 1997 HA2 GLY A 128 -0.060 5.018 -25.951 1.00 0.00 H ATOM 1998 H GLY A 128 -0.836 6.862 -24.631 1.00 0.00 H ATOM 1999 N ALA A 129 -1.834 4.121 -23.632 1.00 8.67 N ATOM 2000 CA ALA A 129 -2.764 3.122 -23.113 1.00 9.55 C ATOM 2001 C ALA A 129 -4.093 3.305 -23.763 1.00 8.62 C ATOM 2002 O ALA A 129 -4.944 4.077 -23.340 1.00 10.65 O ATOM 2003 CB ALA A 129 -2.852 3.197 -21.600 1.00 12.98 C ATOM 2004 HA ALA A 129 -2.399 2.123 -23.353 1.00 0.00 H ATOM 2005 HB1 ALA A 129 -1.867 3.015 -21.171 1.00 0.00 H ATOM 2006 HB2 ALA A 129 -3.201 4.187 -21.306 1.00 0.00 H ATOM 2007 HB3 ALA A 129 -3.551 2.442 -21.240 1.00 0.00 H ATOM 2008 H ALA A 129 -2.003 5.122 -23.405 1.00 0.00 H ATOM 2009 N GLU A 130 -4.267 2.565 -24.860 1.00 8.28 N ATOM 2010 CA GLU A 130 -5.505 2.433 -25.594 1.00 9.07 C ATOM 2011 C GLU A 130 -6.609 1.926 -24.622 1.00 7.78 C ATOM 2012 O GLU A 130 -6.306 1.085 -23.769 1.00 8.70 O ATOM 2013 CB GLU A 130 -5.225 1.378 -26.657 1.00 14.65 C ATOM 2014 CG GLU A 130 -6.170 1.318 -27.802 1.00 17.92 C ATOM 2015 CD GLU A 130 -6.546 -0.107 -28.158 1.00 15.94 C ATOM 2016 OE1 GLU A 130 -6.204 -1.118 -27.382 1.00 11.99 O ATOM 2017 OE2 GLU A 130 -7.244 -0.146 -29.216 1.00 14.82 O ATOM 2018 HA GLU A 130 -5.840 3.372 -26.035 1.00 0.00 H ATOM 2019 HB2 GLU A 130 -4.230 1.570 -27.059 1.00 0.00 H ATOM 2020 HB3 GLU A 130 -5.236 0.404 -26.167 1.00 0.00 H ATOM 2021 HG2 GLU A 130 -7.075 1.866 -27.540 1.00 0.00 H ATOM 2022 HG3 GLU A 130 -5.702 1.785 -28.669 1.00 0.00 H ATOM 2023 H GLU A 130 -3.443 2.040 -25.216 1.00 0.00 H ATOM 2024 N LEU A 131 -7.859 2.357 -24.825 1.00 7.75 N ATOM 2025 CA LEU A 131 -8.901 1.979 -23.886 1.00 8.60 C ATOM 2026 C LEU A 131 -9.156 0.492 -23.819 1.00 7.90 C ATOM 2027 O LEU A 131 -9.337 -0.071 -22.718 1.00 7.46 O ATOM 2028 CB LEU A 131 -10.182 2.746 -24.162 1.00 10.09 C ATOM 2029 CG LEU A 131 -10.015 4.272 -24.170 1.00 12.20 C ATOM 2030 CD1 LEU A 131 -11.375 4.911 -24.398 1.00 17.47 C ATOM 2031 CD2 LEU A 131 -9.370 4.818 -22.892 1.00 14.62 C ATOM 2032 HA LEU A 131 -8.529 2.255 -22.899 1.00 0.00 H ATOM 2033 HB2 LEU A 131 -10.561 2.439 -25.137 1.00 0.00 H ATOM 2034 HB3 LEU A 131 -10.909 2.486 -23.392 1.00 0.00 H ATOM 2035 HG LEU A 131 -9.331 4.527 -24.979 1.00 0.00 H ATOM 2036 HD21 LEU A 131 -9.991 4.560 -22.034 1.00 0.00 H ATOM 2037 HD22 LEU A 131 -8.380 4.379 -22.770 1.00 0.00 H ATOM 2038 HD23 LEU A 131 -9.282 5.902 -22.965 1.00 0.00 H ATOM 2039 HD11 LEU A 131 -11.776 4.577 -25.355 1.00 0.00 H ATOM 2040 HD12 LEU A 131 -12.052 4.617 -23.596 1.00 0.00 H ATOM 2041 HD13 LEU A 131 -11.269 5.996 -24.406 1.00 0.00 H ATOM 2042 H LEU A 131 -8.082 2.956 -25.646 1.00 0.00 H ATOM 2043 N THR A 132 -9.140 -0.191 -24.966 1.00 8.04 N ATOM 2044 CA THR A 132 -9.351 -1.666 -24.927 1.00 8.40 C ATOM 2045 C THR A 132 -8.215 -2.331 -24.151 1.00 7.80 C ATOM 2046 O THR A 132 -8.442 -3.281 -23.412 1.00 8.24 O ATOM 2047 CB THR A 132 -9.447 -2.230 -26.377 1.00 11.50 C ATOM 2048 OG1 THR A 132 -10.619 -1.682 -26.969 1.00 13.96 O ATOM 2049 CG2 THR A 132 -9.529 -3.732 -26.408 1.00 14.91 C ATOM 2050 HA THR A 132 -10.289 -1.885 -24.416 1.00 0.00 H ATOM 2051 HB THR A 132 -8.545 -1.952 -26.922 1.00 0.00 H ATOM 2052 HG1 THR A 132 -10.549 -0.695 -26.984 1.00 0.00 H ATOM 2053 HG23 THR A 132 -8.632 -4.153 -25.955 1.00 0.00 H ATOM 2054 HG21 THR A 132 -10.407 -4.058 -25.850 1.00 0.00 H ATOM 2055 HG22 THR A 132 -9.608 -4.069 -27.442 1.00 0.00 H ATOM 2056 H THR A 132 -8.983 0.297 -25.871 1.00 0.00 H ATOM 2057 N ARG A 133 -6.971 -1.869 -24.360 1.00 8.51 N ATOM 2058 CA ARG A 133 -5.857 -2.414 -23.593 1.00 8.39 C ATOM 2059 C ARG A 133 -6.031 -2.226 -22.095 1.00 7.00 C ATOM 2060 O ARG A 133 -5.736 -3.147 -21.316 1.00 8.22 O ATOM 2061 CB ARG A 133 -4.548 -1.808 -24.117 1.00 11.79 C ATOM 2062 CG ARG A 133 -3.341 -2.213 -23.314 1.00 12.50 C ATOM 2063 CD ARG A 133 -2.090 -2.207 -24.143 1.00 17.35 C ATOM 2064 NE ARG A 133 -0.873 -2.305 -23.323 1.00 17.54 N ATOM 2065 CZ ARG A 133 -0.128 -1.273 -22.956 1.00 15.40 C ATOM 2066 NH1 ARG A 133 -0.421 -0.072 -23.376 1.00 20.11 N ATOM 2067 NH2 ARG A 133 0.982 -1.450 -22.204 1.00 17.48 N ATOM 2068 HA ARG A 133 -5.826 -3.494 -23.736 1.00 0.00 H ATOM 2069 HB2 ARG A 133 -4.404 -2.134 -25.147 1.00 0.00 H ATOM 2070 HB3 ARG A 133 -4.634 -0.722 -24.089 1.00 0.00 H ATOM 2071 HG2 ARG A 133 -3.218 -1.516 -22.485 1.00 0.00 H ATOM 2072 HG3 ARG A 133 -3.499 -3.217 -22.921 1.00 0.00 H ATOM 2073 HD2 ARG A 133 -2.053 -1.280 -24.715 1.00 0.00 H ATOM 2074 HD3 ARG A 133 -2.120 -3.054 -24.828 1.00 0.00 H ATOM 2075 HE ARG A 133 -0.576 -3.251 -23.009 1.00 0.00 H ATOM 2076 HH12 ARG A 133 0.165 0.737 -23.087 1.00 0.00 H ATOM 2077 HH11 ARG A 133 -1.240 0.075 -24.000 1.00 0.00 H ATOM 2078 HH22 ARG A 133 1.557 -0.630 -21.924 1.00 0.00 H ATOM 2079 HH21 ARG A 133 1.261 -2.406 -21.906 1.00 0.00 H ATOM 2080 H ARG A 133 -6.803 -1.125 -25.067 1.00 0.00 H ATOM 2081 N VAL A 134 -6.508 -1.061 -21.665 1.00 6.91 N ATOM 2082 CA VAL A 134 -6.751 -0.869 -20.218 1.00 7.42 C ATOM 2083 C VAL A 134 -7.795 -1.846 -19.720 1.00 5.68 C ATOM 2084 O VAL A 134 -7.587 -2.493 -18.690 1.00 7.01 O ATOM 2085 CB VAL A 134 -7.181 0.592 -19.882 1.00 7.86 C ATOM 2086 CG1 VAL A 134 -7.458 0.730 -18.376 1.00 9.39 C ATOM 2087 CG2 VAL A 134 -6.092 1.569 -20.361 1.00 9.71 C ATOM 2088 HA VAL A 134 -5.807 -1.060 -19.707 1.00 0.00 H ATOM 2089 HB VAL A 134 -8.106 0.837 -20.404 1.00 0.00 H ATOM 2090 HG11 VAL A 134 -8.258 0.047 -18.091 1.00 0.00 H ATOM 2091 HG12 VAL A 134 -6.554 0.486 -17.818 1.00 0.00 H ATOM 2092 HG13 VAL A 134 -7.757 1.755 -18.155 1.00 0.00 H ATOM 2093 HG21 VAL A 134 -5.153 1.340 -19.857 1.00 0.00 H ATOM 2094 HG22 VAL A 134 -5.962 1.466 -21.438 1.00 0.00 H ATOM 2095 HG23 VAL A 134 -6.393 2.590 -20.126 1.00 0.00 H ATOM 2096 H VAL A 134 -6.708 -0.294 -22.338 1.00 0.00 H ATOM 2097 N ARG A 135 -8.910 -1.971 -20.434 1.00 5.77 N ATOM 2098 CA ARG A 135 -9.946 -2.902 -20.004 1.00 6.36 C ATOM 2099 C ARG A 135 -9.433 -4.330 -19.900 1.00 5.80 C ATOM 2100 O ARG A 135 -9.680 -5.042 -18.912 1.00 6.33 O ATOM 2101 CB ARG A 135 -11.136 -2.864 -20.950 1.00 6.65 C ATOM 2102 CG ARG A 135 -12.272 -3.751 -20.475 1.00 6.44 C ATOM 2103 CD ARG A 135 -13.563 -3.616 -21.254 1.00 8.61 C ATOM 2104 NE ARG A 135 -14.044 -2.258 -21.264 1.00 9.03 N ATOM 2105 CZ ARG A 135 -13.974 -1.415 -22.307 1.00 9.42 C ATOM 2106 NH1 ARG A 135 -13.452 -1.795 -23.477 1.00 11.63 N ATOM 2107 NH2 ARG A 135 -14.399 -0.189 -22.142 1.00 10.20 N ATOM 2108 HA ARG A 135 -10.257 -2.580 -19.010 1.00 0.00 H ATOM 2109 HB2 ARG A 135 -11.497 -1.838 -21.020 1.00 0.00 H ATOM 2110 HB3 ARG A 135 -10.814 -3.203 -21.935 1.00 0.00 H ATOM 2111 HG2 ARG A 135 -11.943 -4.788 -20.544 1.00 0.00 H ATOM 2112 HG3 ARG A 135 -12.479 -3.506 -19.433 1.00 0.00 H ATOM 2113 HD2 ARG A 135 -14.319 -4.255 -20.797 1.00 0.00 H ATOM 2114 HD3 ARG A 135 -13.390 -3.937 -22.281 1.00 0.00 H ATOM 2115 HE ARG A 135 -14.482 -1.901 -20.391 1.00 0.00 H ATOM 2116 HH12 ARG A 135 -13.409 -1.123 -24.270 1.00 0.00 H ATOM 2117 HH11 ARG A 135 -13.089 -2.762 -23.595 1.00 0.00 H ATOM 2118 HH22 ARG A 135 -14.357 0.487 -22.932 1.00 0.00 H ATOM 2119 HH21 ARG A 135 -14.779 0.110 -21.221 1.00 0.00 H ATOM 2120 H ARG A 135 -9.042 -1.406 -21.297 1.00 0.00 H ATOM 2121 N GLN A 136 -8.679 -4.756 -20.918 1.00 5.87 N ATOM 2122 CA GLN A 136 -8.203 -6.122 -20.918 1.00 6.59 C ATOM 2123 C GLN A 136 -7.197 -6.346 -19.800 1.00 6.43 C ATOM 2124 O GLN A 136 -7.118 -7.439 -19.230 1.00 7.48 O ATOM 2125 CB GLN A 136 -7.682 -6.534 -22.284 1.00 8.05 C ATOM 2126 CG GLN A 136 -8.770 -6.544 -23.390 1.00 8.55 C ATOM 2127 CD GLN A 136 -10.002 -7.389 -22.991 1.00 8.41 C ATOM 2128 OE1 GLN A 136 -9.906 -8.602 -22.712 1.00 11.90 O ATOM 2129 NE2 GLN A 136 -11.137 -6.777 -22.898 1.00 8.58 N ATOM 2130 HA GLN A 136 -9.048 -6.779 -20.713 1.00 0.00 H ATOM 2131 HB2 GLN A 136 -6.898 -5.836 -22.578 1.00 0.00 H ATOM 2132 HB3 GLN A 136 -7.263 -7.537 -22.204 1.00 0.00 H ATOM 2133 HG2 GLN A 136 -9.092 -5.519 -23.575 1.00 0.00 H ATOM 2134 HG3 GLN A 136 -8.340 -6.959 -24.302 1.00 0.00 H ATOM 2135 HE22 GLN A 136 -11.204 -5.766 -23.133 1.00 0.00 H ATOM 2136 HE21 GLN A 136 -11.983 -7.296 -22.588 1.00 0.00 H ATOM 2137 H GLN A 136 -8.438 -4.114 -21.700 1.00 0.00 H ATOM 2138 N GLN A 137 -6.416 -5.332 -19.417 1.00 6.41 N ATOM 2139 CA GLN A 137 -5.493 -5.437 -18.305 1.00 7.24 C ATOM 2140 C GLN A 137 -6.263 -5.612 -17.002 1.00 6.46 C ATOM 2141 O GLN A 137 -5.855 -6.434 -16.182 1.00 7.71 O ATOM 2142 CB GLN A 137 -4.586 -4.194 -18.241 1.00 9.70 C ATOM 2143 CG GLN A 137 -3.510 -4.338 -17.194 1.00 11.33 C ATOM 2144 CD GLN A 137 -2.372 -5.212 -17.630 1.00 15.13 C ATOM 2145 OE1 GLN A 137 -1.281 -5.071 -17.128 1.00 18.90 O ATOM 2146 NE2 GLN A 137 -2.586 -6.035 -18.631 1.00 18.06 N ATOM 2147 HA GLN A 137 -4.860 -6.312 -18.453 1.00 0.00 H ATOM 2148 HB2 GLN A 137 -4.115 -4.050 -19.214 1.00 0.00 H ATOM 2149 HB3 GLN A 137 -5.197 -3.323 -18.002 1.00 0.00 H ATOM 2150 HG2 GLN A 137 -3.117 -3.348 -16.962 1.00 0.00 H ATOM 2151 HG3 GLN A 137 -3.955 -4.770 -16.297 1.00 0.00 H ATOM 2152 HE22 GLN A 137 -3.540 -6.127 -19.034 1.00 0.00 H ATOM 2153 HE21 GLN A 137 -1.801 -6.595 -19.021 1.00 0.00 H ATOM 2154 H GLN A 137 -6.473 -4.433 -19.937 1.00 0.00 H ATOM 2155 N VAL A 138 -7.319 -4.839 -16.771 1.00 6.18 N ATOM 2156 CA VAL A 138 -8.143 -5.007 -15.588 1.00 6.71 C ATOM 2157 C VAL A 138 -8.671 -6.419 -15.534 1.00 5.99 C ATOM 2158 O VAL A 138 -8.605 -7.099 -14.476 1.00 6.80 O ATOM 2159 CB VAL A 138 -9.256 -3.949 -15.496 1.00 6.73 C ATOM 2160 CG1 VAL A 138 -10.178 -4.254 -14.350 1.00 8.33 C ATOM 2161 CG2 VAL A 138 -8.698 -2.538 -15.462 1.00 7.96 C ATOM 2162 HA VAL A 138 -7.523 -4.845 -14.706 1.00 0.00 H ATOM 2163 HB VAL A 138 -9.855 -3.998 -16.406 1.00 0.00 H ATOM 2164 HG11 VAL A 138 -10.631 -5.234 -14.501 1.00 0.00 H ATOM 2165 HG12 VAL A 138 -9.611 -4.254 -13.419 1.00 0.00 H ATOM 2166 HG13 VAL A 138 -10.958 -3.495 -14.301 1.00 0.00 H ATOM 2167 HG21 VAL A 138 -8.049 -2.426 -14.594 1.00 0.00 H ATOM 2168 HG22 VAL A 138 -8.126 -2.353 -16.371 1.00 0.00 H ATOM 2169 HG23 VAL A 138 -9.520 -1.825 -15.397 1.00 0.00 H ATOM 2170 H VAL A 138 -7.561 -4.094 -17.456 1.00 0.00 H ATOM 2171 N ILE A 139 -9.232 -6.911 -16.647 1.00 5.78 N ATOM 2172 CA ILE A 139 -9.730 -8.291 -16.681 1.00 5.64 C ATOM 2173 C ILE A 139 -8.619 -9.287 -16.370 1.00 5.14 C ATOM 2174 O ILE A 139 -8.837 -10.251 -15.638 1.00 6.04 O ATOM 2175 CB ILE A 139 -10.399 -8.572 -18.037 1.00 5.75 C ATOM 2176 CG1 ILE A 139 -11.684 -7.743 -18.208 1.00 6.55 C ATOM 2177 CG2 ILE A 139 -10.695 -10.081 -18.200 1.00 6.20 C ATOM 2178 CD1 ILE A 139 -12.296 -7.821 -19.604 1.00 7.60 C ATOM 2179 HA ILE A 139 -10.483 -8.415 -15.903 1.00 0.00 H ATOM 2180 HB ILE A 139 -9.703 -8.273 -18.820 1.00 0.00 H ATOM 2181 HG12 ILE A 139 -12.421 -8.102 -17.490 1.00 0.00 H ATOM 2182 HG13 ILE A 139 -11.450 -6.700 -17.995 1.00 0.00 H ATOM 2183 HD11 ILE A 139 -11.577 -7.453 -20.336 1.00 0.00 H ATOM 2184 HD12 ILE A 139 -12.549 -8.857 -19.831 1.00 0.00 H ATOM 2185 HD13 ILE A 139 -13.197 -7.209 -19.639 1.00 0.00 H ATOM 2186 HG21 ILE A 139 -9.762 -10.641 -18.145 1.00 0.00 H ATOM 2187 HG22 ILE A 139 -11.363 -10.407 -17.403 1.00 0.00 H ATOM 2188 HG23 ILE A 139 -11.168 -10.255 -19.167 1.00 0.00 H ATOM 2189 H ILE A 139 -9.315 -6.311 -17.492 1.00 0.00 H ATOM 2190 N GLN A 140 -7.429 -9.064 -16.927 1.00 5.89 N ATOM 2191 CA GLN A 140 -6.331 -9.988 -16.704 1.00 6.33 C ATOM 2192 C GLN A 140 -5.954 -10.058 -15.229 1.00 6.29 C ATOM 2193 O GLN A 140 -5.720 -11.149 -14.684 1.00 6.73 O ATOM 2194 CB GLN A 140 -5.132 -9.608 -17.541 1.00 7.12 C ATOM 2195 CG GLN A 140 -4.165 -10.763 -17.767 1.00 9.14 C ATOM 2196 CD GLN A 140 -4.682 -11.810 -18.747 1.00 9.93 C ATOM 2197 OE1 GLN A 140 -4.719 -13.051 -18.469 1.00 12.79 O ATOM 2198 NE2 GLN A 140 -5.123 -11.352 -19.867 1.00 12.12 N ATOM 2199 HA GLN A 140 -6.666 -10.979 -17.010 1.00 0.00 H ATOM 2200 HB2 GLN A 140 -5.484 -9.256 -18.511 1.00 0.00 H ATOM 2201 HB3 GLN A 140 -4.598 -8.803 -17.036 1.00 0.00 H ATOM 2202 HG2 GLN A 140 -3.230 -10.359 -18.156 1.00 0.00 H ATOM 2203 HG3 GLN A 140 -3.979 -11.249 -16.809 1.00 0.00 H ATOM 2204 HE22 GLN A 140 -5.079 -10.332 -20.065 1.00 0.00 H ATOM 2205 HE21 GLN A 140 -5.523 -12.002 -20.573 1.00 0.00 H ATOM 2206 H GLN A 140 -7.286 -8.225 -17.524 1.00 0.00 H ATOM 2207 N LEU A 141 -5.882 -8.900 -14.573 1.00 6.47 N ATOM 2208 CA LEU A 141 -5.518 -8.883 -13.161 1.00 7.18 C ATOM 2209 C LEU A 141 -6.624 -9.514 -12.310 1.00 6.98 C ATOM 2210 O LEU A 141 -6.343 -10.319 -11.401 1.00 8.32 O ATOM 2211 CB LEU A 141 -5.202 -7.454 -12.688 1.00 8.54 C ATOM 2212 CG LEU A 141 -3.883 -6.936 -13.215 1.00 9.10 C ATOM 2213 CD1 LEU A 141 -3.758 -5.484 -12.807 1.00 13.84 C ATOM 2214 CD2 LEU A 141 -2.694 -7.700 -12.663 1.00 11.55 C ATOM 2215 HA LEU A 141 -4.614 -9.479 -13.037 1.00 0.00 H ATOM 2216 HB2 LEU A 141 -5.997 -6.791 -13.029 1.00 0.00 H ATOM 2217 HB3 LEU A 141 -5.168 -7.448 -11.599 1.00 0.00 H ATOM 2218 HG LEU A 141 -3.876 -7.061 -14.298 1.00 0.00 H ATOM 2219 HD21 LEU A 141 -2.679 -7.611 -11.577 1.00 0.00 H ATOM 2220 HD22 LEU A 141 -2.777 -8.750 -12.942 1.00 0.00 H ATOM 2221 HD23 LEU A 141 -1.774 -7.285 -13.075 1.00 0.00 H ATOM 2222 HD11 LEU A 141 -4.585 -4.916 -13.233 1.00 0.00 H ATOM 2223 HD12 LEU A 141 -3.786 -5.410 -11.720 1.00 0.00 H ATOM 2224 HD13 LEU A 141 -2.813 -5.084 -13.175 1.00 0.00 H ATOM 2225 H LEU A 141 -6.085 -8.008 -15.068 1.00 0.00 H ATOM 2226 N LEU A 142 -7.887 -9.169 -12.602 1.00 6.39 N ATOM 2227 CA LEU A 142 -8.995 -9.777 -11.870 1.00 6.34 C ATOM 2228 C LEU A 142 -9.010 -11.284 -11.999 1.00 6.52 C ATOM 2229 O LEU A 142 -9.325 -11.999 -11.036 1.00 8.16 O ATOM 2230 CB LEU A 142 -10.311 -9.170 -12.348 1.00 7.00 C ATOM 2231 CG LEU A 142 -10.588 -7.703 -11.958 1.00 7.42 C ATOM 2232 CD1 LEU A 142 -11.887 -7.290 -12.664 1.00 8.77 C ATOM 2233 CD2 LEU A 142 -10.716 -7.518 -10.463 1.00 9.51 C ATOM 2234 HA LEU A 142 -8.861 -9.562 -10.810 1.00 0.00 H ATOM 2235 HB2 LEU A 142 -10.325 -9.230 -13.436 1.00 0.00 H ATOM 2236 HB3 LEU A 142 -11.120 -9.777 -11.942 1.00 0.00 H ATOM 2237 HG LEU A 142 -9.749 -7.079 -12.266 1.00 0.00 H ATOM 2238 HD21 LEU A 142 -11.541 -8.127 -10.092 1.00 0.00 H ATOM 2239 HD22 LEU A 142 -9.789 -7.826 -9.979 1.00 0.00 H ATOM 2240 HD23 LEU A 142 -10.910 -6.468 -10.243 1.00 0.00 H ATOM 2241 HD11 LEU A 142 -11.759 -7.385 -13.742 1.00 0.00 H ATOM 2242 HD12 LEU A 142 -12.700 -7.937 -12.334 1.00 0.00 H ATOM 2243 HD13 LEU A 142 -12.121 -6.255 -12.415 1.00 0.00 H ATOM 2244 H LEU A 142 -8.077 -8.470 -13.348 1.00 0.00 H ATOM 2245 N SER A 143 -8.673 -11.780 -13.177 1.00 6.67 N ATOM 2246 CA SER A 143 -8.619 -13.222 -13.363 1.00 6.91 C ATOM 2247 C SER A 143 -7.548 -13.842 -12.490 1.00 8.17 C ATOM 2248 O SER A 143 -7.738 -14.956 -11.975 1.00 10.37 O ATOM 2249 CB SER A 143 -8.332 -13.499 -14.843 1.00 8.17 C ATOM 2250 OG SER A 143 -9.393 -13.105 -15.688 1.00 9.71 O ATOM 2251 HA SER A 143 -9.571 -13.667 -13.073 1.00 0.00 H ATOM 2252 HB2 SER A 143 -8.162 -14.568 -14.971 1.00 0.00 H ATOM 2253 HB3 SER A 143 -7.434 -12.953 -15.132 1.00 0.00 H ATOM 2254 HG SER A 143 -9.551 -12.133 -15.586 1.00 0.00 H ATOM 2255 H SER A 143 -8.448 -11.142 -13.967 1.00 0.00 H ATOM 2256 N GLY A 144 -6.416 -13.169 -12.316 1.00 8.85 N ATOM 2257 CA GLY A 144 -5.349 -13.707 -11.450 1.00 10.77 C ATOM 2258 C GLY A 144 -5.850 -13.795 -10.018 1.00 11.28 C ATOM 2259 O GLY A 144 -5.398 -14.682 -9.286 1.00 14.46 O ATOM 2260 HA3 GLY A 144 -4.481 -13.048 -11.491 1.00 0.00 H ATOM 2261 HA2 GLY A 144 -5.066 -14.701 -11.797 1.00 0.00 H ATOM 2262 H GLY A 144 -6.281 -12.255 -12.794 1.00 0.00 H ATOM 2263 N TYR A 145 -6.724 -12.894 -9.576 1.00 15.58 N ATOM 2264 CA TYR A 145 -7.270 -12.962 -8.220 1.00 17.22 C ATOM 2265 C TYR A 145 -8.225 -14.099 -7.971 1.00 20.51 C ATOM 2266 O TYR A 145 -8.413 -14.462 -6.827 1.00 25.81 O ATOM 2267 CB TYR A 145 -7.895 -11.645 -7.802 1.00 18.04 C ATOM 2268 CG TYR A 145 -6.946 -10.507 -7.975 1.00 18.13 C ATOM 2269 CD1 TYR A 145 -7.402 -9.278 -8.407 1.00 20.27 C ATOM 2270 CD2 TYR A 145 -5.575 -10.655 -7.738 1.00 23.76 C ATOM 2271 CE1 TYR A 145 -6.530 -8.232 -8.639 1.00 19.51 C ATOM 2272 CE2 TYR A 145 -4.699 -9.606 -7.919 1.00 22.05 C ATOM 2273 CZ TYR A 145 -5.176 -8.393 -8.379 1.00 21.84 C ATOM 2274 OH TYR A 145 -4.288 -7.354 -8.569 1.00 27.66 O ATOM 2275 HA TYR A 145 -6.402 -13.168 -7.594 1.00 0.00 H ATOM 2276 HB3 TYR A 145 -8.185 -11.708 -6.753 1.00 0.00 H ATOM 2277 HB2 TYR A 145 -8.780 -11.464 -8.412 1.00 0.00 H ATOM 2278 HD2 TYR A 145 -5.192 -11.619 -7.404 1.00 0.00 H ATOM 2279 HE2 TYR A 145 -3.638 -9.732 -7.701 1.00 0.00 H ATOM 2280 HE1 TYR A 145 -6.904 -7.284 -9.025 1.00 0.00 H ATOM 2281 HD1 TYR A 145 -8.470 -9.130 -8.568 1.00 0.00 H ATOM 2282 HH TYR A 145 -3.846 -7.138 -7.710 1.00 0.00 H ATOM 2283 H TYR A 145 -7.025 -12.125 -10.208 1.00 0.00 H ATOM 2284 N LEU A 146 -8.791 -14.699 -9.004 1.00 19.05 N ATOM 2285 CA LEU A 146 -9.595 -15.917 -8.829 1.00 22.78 C ATOM 2286 C LEU A 146 -8.820 -17.179 -8.451 1.00 26.94 C ATOM 2287 O LEU A 146 -9.457 -18.139 -8.043 1.00 35.68 O ATOM 2288 CB LEU A 146 -10.415 -16.249 -10.105 1.00 19.74 C ATOM 2289 CG LEU A 146 -11.494 -15.303 -10.629 1.00 16.37 C ATOM 2290 CD1 LEU A 146 -12.071 -15.758 -11.970 1.00 16.45 C ATOM 2291 CD2 LEU A 146 -12.614 -15.131 -9.609 1.00 22.62 C ATOM 2292 HA LEU A 146 -10.235 -15.660 -7.985 1.00 0.00 H ATOM 2293 HB2 LEU A 146 -9.693 -16.369 -10.912 1.00 0.00 H ATOM 2294 HB3 LEU A 146 -10.908 -17.203 -9.915 1.00 0.00 H ATOM 2295 HG LEU A 146 -11.008 -14.341 -10.791 1.00 0.00 H ATOM 2296 HD21 LEU A 146 -13.068 -16.100 -9.403 1.00 0.00 H ATOM 2297 HD22 LEU A 146 -12.204 -14.718 -8.687 1.00 0.00 H ATOM 2298 HD23 LEU A 146 -13.367 -14.453 -10.009 1.00 0.00 H ATOM 2299 HD11 LEU A 146 -11.273 -15.801 -12.711 1.00 0.00 H ATOM 2300 HD12 LEU A 146 -12.517 -16.746 -11.856 1.00 0.00 H ATOM 2301 HD13 LEU A 146 -12.833 -15.050 -12.295 1.00 0.00 H ATOM 2302 H LEU A 146 -8.665 -14.302 -9.957 1.00 0.00 H ATOM 2303 N GLU A 147 -7.494 -17.226 -8.636 1.00 23.43 N ATOM 2304 CA GLU A 147 -6.668 -18.407 -8.219 1.00 28.40 C ATOM 2305 C GLU A 147 -6.889 -18.871 -6.775 1.00 27.09 C ATOM 2306 O GLU A 147 -6.761 -18.087 -5.840 1.00 40.89 O ATOM 2307 CB GLU A 147 -5.172 -18.179 -8.441 1.00 25.36 C ATOM 2308 CG GLU A 147 -4.773 -17.960 -9.881 1.00 24.93 C ATOM 2309 CD GLU A 147 -4.970 -19.167 -10.788 1.00 21.53 C ATOM 2310 OE1 GLU A 147 -4.998 -20.343 -10.332 1.00 26.87 O ATOM 2311 OE2 GLU A 147 -5.029 -18.915 -12.005 1.00 22.83 O ATOM 2312 HA GLU A 147 -7.024 -19.204 -8.872 1.00 0.00 H ATOM 2313 HB2 GLU A 147 -4.874 -17.301 -7.869 1.00 0.00 H ATOM 2314 HB3 GLU A 147 -4.636 -19.053 -8.069 1.00 0.00 H ATOM 2315 HG2 GLU A 147 -5.368 -17.137 -10.277 1.00 0.00 H ATOM 2316 HG3 GLU A 147 -3.718 -17.687 -9.903 1.00 0.00 H ATOM 2317 H GLU A 147 -7.021 -16.416 -9.084 1.00 0.00 H TER 2318 GLU A 147 HETATM 2319 O HOH 1 -17.557 18.034 -4.070 1.00 7.38 O HETATM 2320 O HOH 2 -21.929 18.466 -10.354 1.00 6.28 O HETATM 2321 O HOH 3 -22.173 -8.347 -18.804 1.00 8.53 O HETATM 2322 O HOH 4 -15.992 -12.054 -13.331 1.00 13.28 O HETATM 2323 O HOH 5 -22.018 -10.170 -16.921 1.00 11.73 O HETATM 2324 O HOH 6 -15.058 -0.378 -19.310 1.00 7.70 O HETATM 2325 O HOH 7 1.079 4.424 -11.557 1.00 10.50 O HETATM 2326 O HOH 8 -24.551 17.591 -11.018 1.00 10.76 O HETATM 2327 O HOH 9 -6.585 19.881 -0.369 1.00 9.01 O HETATM 2328 O HOH 10 -0.989 3.442 -10.075 1.00 11.44 O HETATM 2329 O HOH 11 2.873 7.550 -17.525 1.00 13.87 O HETATM 2330 O HOH 12 -8.448 3.878 -27.279 1.00 12.26 O HETATM 2331 O HOH 13 -9.341 18.614 1.938 1.00 10.86 O HETATM 2332 O HOH 14 -14.039 9.126 -19.104 1.00 12.14 O HETATM 2333 O HOH 15 -23.572 13.070 -16.979 1.00 13.05 O HETATM 2334 O HOH 16 3.281 13.013 -19.697 1.00 15.59 O HETATM 2335 O HOH 17 -12.405 -4.638 -24.265 1.00 15.62 O HETATM 2336 O HOH 18 -7.493 -9.981 -20.430 1.00 20.81 O HETATM 2337 O HOH 19 -3.602 -10.904 -10.742 1.00 19.99 O HETATM 2338 O HOH 20 -3.551 17.422 -8.235 1.00 21.23 O HETATM 2339 O HOH 21 -16.508 -3.981 -22.960 1.00 19.02 O HETATM 2340 O HOH 22 -9.765 -2.253 -5.997 1.00 12.64 O HETATM 2341 O HOH 23 -14.780 -1.457 1.877 1.00 16.11 O HETATM 2342 O HOH 24 -0.349 3.832 -7.620 1.00 22.46 O HETATM 2343 O HOH 25 -13.426 15.977 1.694 1.00 14.89 O HETATM 2344 O HOH 26 -6.279 2.604 0.208 1.00 21.16 O HETATM 2345 O HOH 27 -7.227 -9.744 -23.452 1.00 22.59 O HETATM 2346 O HOH 28 -9.455 1.195 -27.556 1.00 17.43 O HETATM 2347 O HOH 29 -17.232 -11.781 -9.569 1.00 28.09 O HETATM 2348 O HOH 30 -1.487 18.363 -13.221 1.00 23.42 O HETATM 2349 O HOH 31 4.703 16.709 -9.996 1.00 21.05 O HETATM 2350 O HOH 32 -5.507 11.666 -26.859 1.00 25.09 O HETATM 2351 O HOH 33 -13.485 5.717 2.804 1.00 25.82 O HETATM 2352 O HOH 34 -5.884 -16.078 -15.524 1.00 23.19 O HETATM 2353 O HOH 35 -25.762 3.463 -13.423 1.00 13.02 O HETATM 2354 O HOH 36 -10.099 29.455 -13.261 1.00 25.99 O HETATM 2355 O HOH 37 -9.553 26.811 -12.563 1.00 23.76 O HETATM 2356 O HOH 38 -3.866 -5.304 -21.901 1.00 24.06 O HETATM 2357 O HOH 39 -10.072 6.032 -27.699 1.00 20.24 O HETATM 2358 O HOH 40 -12.286 15.781 -0.734 1.00 8.35 O HETATM 2359 O HOH 41 -2.238 0.704 -25.769 1.00 15.28 O HETATM 2360 O HOH 42 -25.508 12.693 -15.189 1.00 18.16 O HETATM 2361 O HOH 43 -2.317 24.658 -20.290 1.00 27.24 O HETATM 2362 O HOH 44 -14.696 13.962 3.147 1.00 27.35 O HETATM 2363 O HOH 45 -14.965 25.343 -7.092 1.00 19.43 O HETATM 2364 O HOH 46 -18.386 0.530 -24.800 1.00 28.14 O HETATM 2365 O HOH 47 -5.184 -20.592 -14.083 1.00 26.17 O HETATM 2366 O HOH 48 -17.512 14.063 2.575 1.00 37.07 O HETATM 2367 O HOH 49 -6.423 16.117 -25.459 1.00 30.47 O HETATM 2368 O HOH 50 -14.479 2.016 -23.894 1.00 19.86 O HETATM 2369 O HOH 51 -29.502 5.339 -1.978 1.00 19.66 O HETATM 2370 O HOH 52 -11.536 -11.219 -9.476 1.00 28.86 O HETATM 2371 O HOH 53 -13.426 29.398 -3.349 1.00 29.16 O HETATM 2372 O HOH 54 -11.950 -1.014 -3.986 1.00 11.71 O HETATM 2373 O HOH 55 -6.887 2.510 -7.184 1.00 9.99 O HETATM 2374 O HOH 56 -1.314 18.406 -7.105 1.00 44.47 O HETATM 2375 O HOH 57 1.129 1.849 -21.941 1.00 34.00 O HETATM 2376 O HOH 58 -0.321 0.290 -7.604 1.00 36.41 O HETATM 2377 O HOH 59 -15.751 25.110 -4.494 1.00 22.11 O HETATM 2378 O HOH 60 -28.215 -0.889 -13.731 1.00 28.10 O HETATM 2379 O HOH 61 -12.528 28.078 -13.161 1.00 23.97 O HETATM 2380 O HOH 62 -12.295 12.348 -26.975 1.00 31.80 O HETATM 2381 O HOH 63 -17.668 1.027 2.076 1.00 19.91 O HETATM 2382 O HOH 64 -12.851 -3.959 -4.914 1.00 30.22 O HETATM 2383 O HOH 65 -1.057 2.353 -27.896 1.00 28.78 O HETATM 2384 O HOH 66 -7.125 1.821 -30.715 1.00 30.94 O HETATM 2385 O HOH 67 -4.390 -5.087 -6.884 1.00 31.62 O HETATM 2386 O HOH 68 2.017 8.672 -1.248 1.00 52.36 O HETATM 2387 O HOH 69 0.426 2.950 -2.154 1.00 46.22 O HETATM 2388 O HOH 70 2.402 -7.491 -6.627 1.00 59.75 O HETATM 2389 O HOH 71 -14.125 -11.617 -11.030 1.00 31.65 O HETATM 2390 O HOH 72 -30.252 2.901 -7.347 1.00 34.84 O HETATM 2391 O HOH 73 -20.259 -8.976 -1.589 1.00 52.11 O HETATM 2392 O HOH 74 -6.908 31.518 -14.778 1.00 39.76 O HETATM 2393 O HOH 75 -2.078 5.130 -27.591 1.00 26.02 O HETATM 2394 O HOH 76 -3.475 11.413 -28.743 1.00 44.39 O HETATM 2395 O HOH 77 2.788 16.909 -23.557 1.00 24.08 O HETATM 2396 O HOH 78 -13.405 16.494 -24.069 1.00 27.71 O HETATM 2397 O HOH 79 3.723 3.993 -12.003 1.00 25.63 O HETATM 2398 O HOH 80 -27.727 7.503 -1.734 1.00 28.20 O HETATM 2399 O HOH 81 -1.021 22.986 -4.433 1.00 21.67 O HETATM 2400 O HOH 82 4.417 2.377 -14.155 1.00 24.22 O HETATM 2401 O HOH 83 -13.762 -5.008 -26.935 1.00 22.92 O HETATM 2402 O HOH 84 -3.218 -7.808 -20.411 1.00 34.22 O HETATM 2403 O HOH 85 -23.685 -1.308 -8.872 1.00 21.57 O HETATM 2404 O HOH 86 -2.061 28.684 -6.157 1.00 22.91 O HETATM 2405 O HOH 87 -4.798 5.352 1.764 1.00 30.45 O HETATM 2406 O HOH 88 -1.629 15.533 -5.768 1.00 29.20 O HETATM 2407 O HOH 89 -27.099 1.255 -12.395 1.00 24.08 O HETATM 2408 O HOH 90 -8.387 31.263 -12.655 1.00 29.17 O HETATM 2409 O HOH 91 -9.949 29.589 -1.213 1.00 32.29 O HETATM 2410 O HOH 92 -5.855 -4.569 -4.670 1.00 45.53 O HETATM 2411 O HOH 93 -24.603 -8.344 -10.206 1.00 23.72 O HETATM 2412 O HOH 94 -11.940 -0.852 0.439 1.00 17.14 O HETATM 2413 O HOH 95 3.973 -2.931 -12.662 1.00 27.78 O HETATM 2414 O HOH 96 -10.813 28.988 -7.388 1.00 28.50 O HETATM 2415 O HOH 97 -23.766 -0.237 1.924 1.00 30.54 O HETATM 2416 O HOH 98 -2.317 -1.284 -6.046 1.00 25.00 O HETATM 2417 O HOH 99 -8.821 29.044 -9.920 1.00 29.83 O HETATM 2418 O HOH 100 3.014 17.511 -8.038 1.00 32.27 O HETATM 2419 O HOH 101 4.899 -0.003 -16.572 1.00 28.50 O HETATM 2420 O HOH 102 -6.007 22.216 -24.332 1.00 34.95 O HETATM 2421 O HOH 103 -13.032 8.349 2.176 1.00 38.02 O HETATM 2422 O HOH 104 -22.563 -3.235 -7.636 1.00 30.36 O HETATM 2423 O HOH 105 -12.952 -0.022 -25.689 1.00 36.21 O HETATM 2424 O HOH 106 -16.445 28.099 0.227 1.00 41.86 O HETATM 2425 O HOH 107 -15.104 24.446 3.463 1.00 32.62 O HETATM 2426 O HOH 108 -13.854 11.702 4.716 1.00 40.54 O HETATM 2427 O HOH 109 0.690 18.818 -9.340 1.00 35.36 O HETATM 2428 O HOH 110 -1.701 31.390 -6.115 1.00 32.70 O HETATM 2429 O HOH 111 -11.059 9.967 2.798 1.00 52.12 O HETATM 2430 O HOH 112 -12.127 20.106 3.266 1.00 41.56 O HETATM 2431 O HOH 113 -12.155 10.863 -19.843 1.00 9.63 O HETATM 2432 O HOH 114 -21.092 0.727 -17.679 1.00 16.06 O HETATM 2433 O HOH 115 -14.075 -9.995 -10.994 1.00 35.02 O HETATM 2434 O HOH 116 -14.126 6.230 -26.854 1.00 36.40 O HETATM 2435 O HOH 117 1.114 19.282 -12.001 1.00 33.28 O HETATM 2436 O HOH 118 -16.676 22.312 2.907 1.00 42.40 O HETATM 2437 O HOH 119 -17.028 3.021 -24.751 1.00 30.21 O HETATM 2438 O HOH 120 -21.465 3.487 -23.054 1.00 41.34 O HETATM 2439 O HOH 121 -1.872 -5.689 -22.877 1.00 47.08 O HETATM 2440 O HOH 122 -27.245 0.474 -9.914 1.00 35.49 O HETATM 2441 O HOH 123 -14.478 -6.828 -10.417 1.00 21.72 O HETATM 2442 O HOH 124 -2.604 25.470 -5.675 1.00 27.66 O HETATM 2443 O HOH 125 -13.922 -6.926 -7.720 1.00 29.86 O HETATM 2444 O HOH 126 -10.419 8.334 4.922 1.00 29.46 O HETATM 2445 O HOH 127 -0.271 27.328 -5.768 1.00 40.94 O HETATM 2446 O HOH 128 -0.811 23.561 -7.980 1.00 28.32 O HETATM 2447 O HOH 129 -3.843 -21.920 -7.541 1.00 48.59 O HETATM 2448 O HOH 130 -18.021 -3.100 0.403 1.00 47.88 O HETATM 2449 O HOH 131 -19.432 7.678 -23.890 1.00 33.09 O HETATM 2450 O HOH 132 -10.332 8.630 -26.174 1.00 39.74 O HETATM 2451 O HOH 133 -20.611 -2.667 -1.273 1.00 35.23 O HETATM 2452 O HOH 134 -5.344 -5.822 -25.160 1.00 43.93 O HETATM 2453 O HOH 135 -19.908 10.389 -22.945 1.00 26.80 O HETATM 2454 O HOH 136 -9.212 10.213 0.577 1.00 20.73 O HETATM 2455 O HOH 137 -4.128 28.743 -4.239 1.00 55.43 O HETATM 2456 O HOH 138 -26.131 -5.697 -6.442 1.00 42.50 O HETATM 2457 O HOH 139 -7.587 10.901 -27.924 1.00 37.62 O HETATM 2458 O HOH 140 -5.559 1.444 -4.785 1.00 20.39 O HETATM 2459 O HOH 141 -27.855 1.932 -3.650 1.00 36.86 O HETATM 2460 O HOH 142 -6.595 -17.377 -13.389 1.00 34.07 O HETATM 2461 O HOH 143 -6.209 -20.432 -4.148 1.00 45.53 O HETATM 2462 O HOH 144 -9.045 -17.157 -13.010 1.00 34.42 O HETATM 2463 O HOH 145 -2.328 4.742 0.785 1.00 68.28 O HETATM 2464 O HOH 146 -19.618 -9.297 -4.512 1.00 47.26 O HETATM 2465 O HOH 147 2.073 13.393 -4.854 1.00 29.18 O HETATM 2466 O HOH 148 -3.950 22.214 -14.837 1.00 26.33 O HETATM 2467 O HOH 149 -4.594 24.533 -21.837 1.00 45.50 O HETATM 2468 O HOH 150 -27.735 10.285 -16.231 1.00 34.80 O HETATM 2469 O HOH 151 -24.688 10.650 -17.489 1.00 36.43 O HETATM 2470 O HOH 152 -9.947 18.197 -25.476 1.00 40.92 O HETATM 2471 O HOH 153 2.250 12.239 -26.029 1.00 41.87 O HETATM 2472 O HOH 154 -6.267 7.282 2.297 1.00 41.77 O HETATM 2473 O HOH 155 -5.358 5.300 3.777 1.00 40.78 O HETATM 2474 O HOH 156 -31.428 6.543 -10.250 1.00 8.90 O HETATM 2475 O HOH 157 -16.857 17.801 -0.368 1.00 19.58 O HETATM 2476 O HOH 158 -24.892 8.082 -1.531 1.00 12.34 O HETATM 2477 O HOH 159 -29.776 12.075 -6.304 1.00 17.33 O HETATM 2478 O HOH 160 -26.875 5.857 -12.374 1.00 13.65 O HETATM 2479 O HOH 161 -30.141 9.294 -5.873 1.00 17.77 O HETATM 2480 O HOH 162 -31.877 7.449 -7.550 1.00 18.76 O HETATM 2481 O HOH 163 -28.370 11.966 -3.073 1.00 15.71 O HETATM 2482 O HOH 164 -15.506 17.791 1.596 1.00 26.94 O HETATM 2483 O HOH 165 -27.860 17.260 -7.621 1.00 28.43 O HETATM 2484 O HOH 166 -21.131 12.586 3.576 1.00 22.00 O HETATM 2485 O HOH 167 -28.634 3.142 -9.873 1.00 29.15 O HETATM 2486 O HOH 168 -26.801 16.675 -9.764 1.00 30.91 O HETATM 2487 O WRP A 169 -27.158 12.584 -5.537 1.00 -0.39 O HETATM 2488 C WRP A 169 -26.052 12.421 -6.056 1.00 0.21 C HETATM 2489 CA WRP A 169 -25.046 11.566 -5.301 1.00 0.16 C HETATM 2490 CB WRP A 169 -25.660 10.164 -5.111 1.00 0.11 C HETATM 2491 CG WRP A 169 -25.744 9.423 -6.415 1.00 -0.01 C HETATM 2492 CD1 WRP A 169 -26.856 9.368 -7.222 1.00 0.02 C HETATM 2493 NE1 WRP A 169 -26.549 8.610 -8.317 1.00 -0.27 N HETATM 2494 C1 WRP A 169 -27.557 8.267 -9.385 1.00 0.09 C HETATM 2495 C3 WRP A 169 -28.843 9.036 -9.118 1.00 -0.03 C HETATM 2496 H4 WRP A 169 -29.584 8.791 -9.893 1.00 0.03 H HETATM 2497 H5 WRP A 169 -28.635 10.116 -9.137 1.00 0.03 H HETATM 2498 H6 WRP A 169 -29.239 8.756 -8.131 1.00 0.03 H HETATM 2499 C4 WRP A 169 -27.816 6.739 -9.342 1.00 0.08 C HETATM 2500 C5 WRP A 169 -28.511 6.255 -8.084 1.00 -0.04 C HETATM 2501 H8 WRP A 169 -28.653 5.166 -8.140 1.00 0.03 H HETATM 2502 H9 WRP A 169 -29.490 6.748 -7.993 1.00 0.03 H HETATM 2503 H10 WRP A 169 -27.894 6.500 -7.207 1.00 0.03 H HETATM 2504 O6 WRP A 169 -28.655 6.358 -10.412 1.00 -0.39 O HETATM 2505 H11 WRP A 169 -29.506 6.768 -10.307 1.00 0.21 H HETATM 2506 H7 WRP A 169 -26.846 6.228 -9.431 1.00 0.06 H HETATM 2507 C2 WRP A 169 -27.002 8.680 -10.746 1.00 -0.03 C HETATM 2508 H12 WRP A 169 -27.733 8.433 -11.530 1.00 0.03 H HETATM 2509 H13 WRP A 169 -26.062 8.142 -10.938 1.00 0.03 H HETATM 2510 H14 WRP A 169 -26.812 9.763 -10.751 1.00 0.03 H HETATM 2511 CE2 WRP A 169 -25.259 8.163 -8.239 1.00 0.06 C HETATM 2512 CZ2 WRP A 169 -24.459 7.353 -9.052 1.00 -0.04 C HETATM 2513 CH2 WRP A 169 -23.165 7.069 -8.670 1.00 -0.08 C HETATM 2514 CZ3 WRP A 169 -22.619 7.593 -7.516 1.00 -0.08 C HETATM 2515 CE3 WRP A 169 -23.367 8.373 -6.653 1.00 -0.07 C HETATM 2516 CD2 WRP A 169 -24.697 8.662 -7.027 1.00 -0.02 C HETATM 2517 H18 WRP A 169 -22.948 8.748 -5.726 1.00 0.05 H HETATM 2518 H17 WRP A 169 -21.581 7.389 -7.281 1.00 0.05 H HETATM 2519 H16 WRP A 169 -22.561 6.418 -9.292 1.00 0.05 H HETATM 2520 H15 WRP A 169 -24.855 6.951 -9.978 1.00 0.05 H HETATM 2521 H3 WRP A 169 -27.814 9.845 -7.023 1.00 0.08 H HETATM 2522 OB WRP A 169 -24.870 9.414 -4.196 1.00 -0.38 O HETATM 2523 H19 WRP A 169 -24.815 9.880 -3.370 1.00 0.21 H HETATM 2524 H2 WRP A 169 -26.675 10.277 -4.702 1.00 0.07 H HETATM 2525 N WRP A 169 -24.819 12.178 -3.983 1.00 -0.26 N HETATM 2526 C WRP A 169 -24.166 13.320 -3.852 1.00 0.21 C HETATM 2527 CA WRP A 169 -23.970 13.803 -2.417 1.00 0.14 C HETATM 2528 CB WRP A 169 -24.560 15.176 -2.168 1.00 0.00 C HETATM 2529 CG2 WRP A 169 -24.382 15.633 -0.721 1.00 -0.05 C HETATM 2530 H74 WRP A 169 -24.826 16.631 -0.595 1.00 0.02 H HETATM 2531 H75 WRP A 169 -23.310 15.675 -0.479 1.00 0.02 H HETATM 2532 H76 WRP A 169 -24.882 14.921 -0.048 1.00 0.02 H HETATM 2533 CG1 WRP A 169 -25.993 15.116 -2.566 1.00 -0.10 C HETATM 2534 CD WRP A 169 -26.648 15.679 -3.578 1.00 -0.09 C HETATM 2535 CE1 WRP A 169 -28.126 15.485 -3.793 1.00 -0.04 C HETATM 2536 H78 WRP A 169 -28.443 16.043 -4.686 1.00 0.04 H HETATM 2537 H79 WRP A 169 -28.676 15.855 -2.915 1.00 0.04 H HETATM 2538 H80 WRP A 169 -28.339 14.415 -3.935 1.00 0.04 H HETATM 2539 CE2 WRP A 169 -25.930 16.464 -4.628 1.00 -0.04 C HETATM 2540 H81 WRP A 169 -24.864 16.539 -4.365 1.00 0.04 H HETATM 2541 H82 WRP A 169 -26.364 17.473 -4.692 1.00 0.04 H HETATM 2542 H83 WRP A 169 -26.033 15.958 -5.599 1.00 0.04 H HETATM 2543 H77 WRP A 169 -26.614 14.504 -1.914 1.00 0.02 H HETATM 2544 H73 WRP A 169 -24.045 15.903 -2.813 1.00 0.04 H HETATM 2545 N WRP A 169 -22.519 13.744 -2.115 1.00 -0.26 N HETATM 2546 C WRP A 169 -21.971 12.824 -1.332 1.00 0.20 C HETATM 2547 CA WRP A 169 -20.436 12.752 -1.290 1.00 0.13 C HETATM 2548 N WRP A 169 -19.942 14.043 -0.731 1.00 -0.25 N HETATM 2549 C WRP A 169 -19.048 14.857 -1.298 1.00 0.21 C HETATM 2550 CA WRP A 169 -18.373 14.605 -2.654 1.00 0.13 C HETATM 2551 N WRP A 169 -18.885 15.590 -3.597 1.00 -0.26 N HETATM 2552 C WRP A 169 -19.964 15.396 -4.303 1.00 0.21 C HETATM 2553 CA WRP A 169 -20.464 16.615 -5.077 1.00 0.17 C HETATM 2554 N WRP A 169 -21.624 16.239 -5.887 1.00 -0.26 N HETATM 2555 C WRP A 169 -21.855 16.716 -7.121 1.00 0.20 C HETATM 2556 CA WRP A 169 -23.141 16.383 -7.831 1.00 0.13 C HETATM 2557 N WRP A 169 -23.621 15.020 -7.499 1.00 -0.26 N HETATM 2558 C WRP A 169 -24.040 14.231 -8.402 1.00 0.20 C HETATM 2559 CA WRP A 169 -24.497 12.831 -7.970 1.00 0.13 C HETATM 2560 N WRP A 169 -25.765 12.980 -7.241 1.00 -0.25 N HETATM 2561 CN WRP A 169 -26.860 13.698 -7.909 1.00 0.03 C HETATM 2562 H21 WRP A 169 -27.737 13.729 -7.245 1.00 0.05 H HETATM 2563 H22 WRP A 169 -27.124 13.178 -8.842 1.00 0.05 H HETATM 2564 H23 WRP A 169 -26.539 14.724 -8.139 1.00 0.05 H HETATM 2565 CB WRP A 169 -24.685 11.906 -9.160 1.00 -0.01 C HETATM 2566 CG WRP A 169 -23.415 11.639 -9.961 1.00 -0.02 C HETATM 2567 CG1 WRP A 169 -23.758 10.817 -11.217 1.00 0.05 C HETATM 2568 O4 WRP A 169 -24.663 11.582 -12.005 1.00 -0.39 O HETATM 2569 H30 WRP A 169 -24.890 11.094 -12.788 1.00 0.21 H HETATM 2570 H28 WRP A 169 -24.228 9.866 -10.925 1.00 0.06 H HETATM 2571 H29 WRP A 169 -22.843 10.612 -11.792 1.00 0.06 H HETATM 2572 CG2 WRP A 169 -22.358 10.935 -9.126 1.00 -0.06 C HETATM 2573 H31 WRP A 169 -22.130 11.540 -8.236 1.00 0.02 H HETATM 2574 H32 WRP A 169 -21.444 10.805 -9.725 1.00 0.02 H HETATM 2575 H33 WRP A 169 -22.734 9.950 -8.813 1.00 0.02 H HETATM 2576 H27 WRP A 169 -23.003 12.607 -10.283 1.00 0.03 H HETATM 2577 H25 WRP A 169 -25.427 12.360 -9.834 1.00 0.03 H HETATM 2578 H26 WRP A 169 -25.066 10.943 -8.790 1.00 0.03 H HETATM 2579 H24 WRP A 169 -23.739 12.395 -7.302 1.00 0.08 H HETATM 2580 O WRP A 169 -24.077 14.584 -9.583 1.00 -0.39 O HETATM 2581 H34 WRP A 169 -23.615 14.716 -6.546 1.00 0.19 H HETATM 2582 CB WRP A 169 -24.217 17.439 -7.514 1.00 -0.02 C HETATM 2583 H36 WRP A 169 -23.836 18.439 -7.769 1.00 0.03 H HETATM 2584 H37 WRP A 169 -24.462 17.402 -6.442 1.00 0.03 H HETATM 2585 H38 WRP A 169 -25.121 17.230 -8.104 1.00 0.03 H HETATM 2586 H35 WRP A 169 -22.945 16.413 -8.913 1.00 0.08 H HETATM 2587 O WRP A 169 -21.063 17.474 -7.719 1.00 -0.39 O HETATM 2588 H39 WRP A 169 -22.280 15.591 -5.500 1.00 0.19 H HETATM 2589 CB WRP A 169 -20.789 17.738 -4.067 1.00 0.13 C HETATM 2590 OB WRP A 169 -21.671 17.118 -3.105 1.00 -0.36 O HETATM 2591 CB1 WRP A 169 -21.637 17.836 -1.867 1.00 0.04 C HETATM 2592 H42 WRP A 169 -22.312 17.354 -1.145 1.00 0.05 H HETATM 2593 H43 WRP A 169 -21.961 18.873 -2.036 1.00 0.05 H HETATM 2594 H44 WRP A 169 -20.611 17.832 -1.469 1.00 0.05 H HETATM 2595 CG WRP A 169 -21.377 18.977 -4.718 1.00 -0.01 C HETATM 2596 CD1 WRP A 169 -20.494 19.919 -5.224 1.00 -0.06 C HETATM 2597 CE1 WRP A 169 -20.942 21.111 -5.789 1.00 -0.07 C HETATM 2598 CZ WRP A 169 -22.295 21.322 -5.967 1.00 -0.07 C HETATM 2599 CE2 WRP A 169 -23.207 20.381 -5.484 1.00 -0.07 C HETATM 2600 CD2 WRP A 169 -22.734 19.199 -4.862 1.00 -0.06 C HETATM 2601 H49 WRP A 169 -23.441 18.463 -4.496 1.00 0.06 H HETATM 2602 H48 WRP A 169 -24.272 20.554 -5.585 1.00 0.06 H HETATM 2603 H47 WRP A 169 -22.647 22.211 -6.478 1.00 0.06 H HETATM 2604 H46 WRP A 169 -20.230 21.871 -6.088 1.00 0.06 H HETATM 2605 H45 WRP A 169 -19.429 19.723 -5.179 1.00 0.06 H HETATM 2606 H41 WRP A 169 -19.863 18.043 -3.559 1.00 0.08 H HETATM 2607 H40 WRP A 169 -19.669 16.967 -5.750 1.00 0.09 H HETATM 2608 O WRP A 169 -20.621 14.330 -4.297 1.00 -0.39 O HETATM 2609 H50 WRP A 169 -18.388 16.451 -3.708 1.00 0.19 H HETATM 2610 CB WRP A 169 -16.852 14.822 -2.562 1.00 -0.01 C HETATM 2611 CG1 WRP A 169 -16.228 13.972 -1.479 1.00 -0.06 C HETATM 2612 H53 WRP A 169 -15.144 14.157 -1.447 1.00 0.02 H HETATM 2613 H54 WRP A 169 -16.413 12.909 -1.695 1.00 0.02 H HETATM 2614 H55 WRP A 169 -16.673 14.232 -0.507 1.00 0.02 H HETATM 2615 CG2 WRP A 169 -16.230 14.547 -3.907 1.00 -0.06 C HETATM 2616 H56 WRP A 169 -16.707 15.181 -4.668 1.00 0.02 H HETATM 2617 H57 WRP A 169 -16.375 13.488 -4.168 1.00 0.02 H HETATM 2618 H58 WRP A 169 -15.154 14.771 -3.866 1.00 0.02 H HETATM 2619 H52 WRP A 169 -16.670 15.877 -2.307 1.00 0.03 H HETATM 2620 H51 WRP A 169 -18.590 13.583 -2.999 1.00 0.08 H HETATM 2621 O WRP A 169 -18.747 15.910 -0.739 1.00 -0.39 O HETATM 2622 CN WRP A 169 -20.465 14.386 0.637 1.00 0.03 C HETATM 2623 H59 WRP A 169 -20.045 15.350 0.959 1.00 0.05 H HETATM 2624 H60 WRP A 169 -20.171 13.601 1.349 1.00 0.05 H HETATM 2625 H61 WRP A 169 -21.562 14.457 0.603 1.00 0.05 H HETATM 2626 CB WRP A 169 -19.996 11.536 -0.451 1.00 -0.01 C HETATM 2627 CG WRP A 169 -18.508 11.203 -0.552 1.00 -0.04 C HETATM 2628 CD1 WRP A 169 -18.167 10.171 0.531 1.00 -0.06 C HETATM 2629 H66 WRP A 169 -17.098 9.919 0.473 1.00 0.02 H HETATM 2630 H67 WRP A 169 -18.767 9.263 0.374 1.00 0.02 H HETATM 2631 H68 WRP A 169 -18.392 10.592 1.522 1.00 0.02 H HETATM 2632 CD2 WRP A 169 -18.130 10.699 -1.945 1.00 -0.06 C HETATM 2633 H69 WRP A 169 -18.388 11.463 -2.694 1.00 0.02 H HETATM 2634 H70 WRP A 169 -18.681 9.772 -2.162 1.00 0.02 H HETATM 2635 H71 WRP A 169 -17.049 10.500 -1.982 1.00 0.02 H HETATM 2636 H65 WRP A 169 -17.932 12.119 -0.356 1.00 0.03 H HETATM 2637 H63 WRP A 169 -20.568 10.660 -0.789 1.00 0.03 H HETATM 2638 H64 WRP A 169 -20.231 11.743 0.604 1.00 0.03 H HETATM 2639 H62 WRP A 169 -20.045 12.632 -2.311 1.00 0.08 H HETATM 2640 O WRP A 169 -22.670 12.082 -0.634 1.00 -0.39 O HETATM 2641 H84 WRP A 169 -21.922 14.434 -2.523 1.00 0.19 H HETATM 2642 H72 WRP A 169 -24.488 13.101 -1.747 1.00 0.08 H HETATM 2643 O WRP A 169 -23.685 13.956 -4.788 1.00 -0.39 O HETATM 2644 H20 WRP A 169 -25.167 11.719 -3.166 1.00 0.19 H HETATM 2645 H1 WRP A 169 -24.100 11.498 -5.859 1.00 0.08 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2487 2488 CONECT 2488 2487 2489 2560 CONECT 2489 2488 2490 2525 2645 CONECT 2490 2489 2491 2522 2524 CONECT 2491 2490 2492 2516 CONECT 2492 2491 2493 2521 CONECT 2493 2492 2494 2511 CONECT 2494 2493 2495 2499 2507 CONECT 2495 2494 2496 2497 2498 CONECT 2496 2495 CONECT 2497 2495 CONECT 2498 2495 CONECT 2499 2494 2500 2504 2506 CONECT 2500 2499 2501 2502 2503 CONECT 2501 2500 CONECT 2502 2500 CONECT 2503 2500 CONECT 2504 2499 2505 CONECT 2505 2504 CONECT 2506 2499 CONECT 2507 2494 2508 2509 2510 CONECT 2508 2507 CONECT 2509 2507 CONECT 2510 2507 CONECT 2511 2493 2512 2516 CONECT 2512 2511 2513 2520 CONECT 2513 2512 2514 2519 CONECT 2514 2513 2515 2518 CONECT 2515 2514 2516 2517 CONECT 2516 2491 2511 2515 CONECT 2517 2515 CONECT 2518 2514 CONECT 2519 2513 CONECT 2520 2512 CONECT 2521 2492 CONECT 2522 2490 2523 CONECT 2523 2522 CONECT 2524 2490 CONECT 2525 2489 2526 2644 CONECT 2526 2525 2527 2643 CONECT 2527 2526 2528 2545 2642 CONECT 2528 2527 2529 2533 2544 CONECT 2529 2528 2530 2531 2532 CONECT 2530 2529 CONECT 2531 2529 CONECT 2532 2529 CONECT 2533 2528 2534 2543 CONECT 2534 2533 2535 2539 CONECT 2535 2534 2536 2537 2538 CONECT 2536 2535 CONECT 2537 2535 CONECT 2538 2535 CONECT 2539 2534 2540 2541 2542 CONECT 2540 2539 CONECT 2541 2539 CONECT 2542 2539 CONECT 2543 2533 CONECT 2544 2528 CONECT 2545 2527 2546 2641 CONECT 2546 2545 2547 2640 CONECT 2547 2546 2548 2626 2639 CONECT 2548 2547 2549 2622 CONECT 2549 2548 2550 2621 CONECT 2550 2549 2551 2610 2620 CONECT 2551 2550 2552 2609 CONECT 2552 2551 2553 2608 CONECT 2553 2552 2554 2589 2607 CONECT 2554 2553 2555 2588 CONECT 2555 2554 2556 2587 CONECT 2556 2555 2557 2582 2586 CONECT 2557 2556 2558 2581 CONECT 2558 2557 2559 2580 CONECT 2559 2558 2560 2565 2579 CONECT 2560 2488 2559 2561 CONECT 2561 2560 2562 2563 2564 CONECT 2562 2561 CONECT 2563 2561 CONECT 2564 2561 CONECT 2565 2559 2566 2577 2578 CONECT 2566 2565 2567 2572 2576 CONECT 2567 2566 2568 2570 2571 CONECT 2568 2567 2569 CONECT 2569 2568 CONECT 2570 2567 CONECT 2571 2567 CONECT 2572 2566 2573 2574 2575 CONECT 2573 2572 CONECT 2574 2572 CONECT 2575 2572 CONECT 2576 2566 CONECT 2577 2565 CONECT 2578 2565 CONECT 2579 2559 CONECT 2580 2558 CONECT 2581 2557 CONECT 2582 2556 2583 2584 2585 CONECT 2583 2582 CONECT 2584 2582 CONECT 2585 2582 CONECT 2586 2556 CONECT 2587 2555 CONECT 2588 2554 CONECT 2589 2553 2590 2595 2606 CONECT 2590 2589 2591 CONECT 2591 2590 2592 2593 2594 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2591 CONECT 2595 2589 2596 2600 CONECT 2596 2595 2597 2605 CONECT 2597 2596 2598 2604 CONECT 2598 2597 2599 2603 CONECT 2599 2598 2600 2602 CONECT 2600 2595 2599 2601 CONECT 2601 2600 CONECT 2602 2599 CONECT 2603 2598 CONECT 2604 2597 CONECT 2605 2596 CONECT 2606 2589 CONECT 2607 2553 CONECT 2608 2552 CONECT 2609 2551 CONECT 2610 2550 2611 2615 2619 CONECT 2611 2610 2612 2613 2614 CONECT 2612 2611 CONECT 2613 2611 CONECT 2614 2611 CONECT 2615 2610 2616 2617 2618 CONECT 2616 2615 CONECT 2617 2615 CONECT 2618 2615 CONECT 2619 2610 CONECT 2620 2550 CONECT 2621 2549 CONECT 2622 2548 2623 2624 2625 CONECT 2623 2622 CONECT 2624 2622 CONECT 2625 2622 CONECT 2626 2547 2627 2637 2638 CONECT 2627 2626 2628 2632 2636 CONECT 2628 2627 2629 2630 2631 CONECT 2629 2628 CONECT 2630 2628 CONECT 2631 2628 CONECT 2632 2627 2633 2634 2635 CONECT 2633 2632 CONECT 2634 2632 CONECT 2635 2632 CONECT 2636 2627 CONECT 2637 2626 CONECT 2638 2626 CONECT 2639 2547 CONECT 2640 2546 CONECT 2641 2545 CONECT 2642 2527 CONECT 2643 2526 CONECT 2644 2525 CONECT 2645 2489 MASTER 0 0 0 0 0 0 0 0 2644 1 163 12 END
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Related entries of code: 3wdd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3wdc
RCSB PDB
PDBbind
153aa, >3WDC_1|Chain... at 100%
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RCSB PDB
PDBbind
153aa, >3WDE_1|Chain... at 99%
6cn8
RCSB PDB
PDBbind
158aa, >6CN8_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bm2
RCSB PDB
PDBbind
7-mer
1bzh
RCSB PDB
PDBbind
7-mer
1ekb
RCSB PDB
PDBbind
7-mer
1evh
RCSB PDB
PDBbind
7-mer
1f8a
RCSB PDB
PDBbind
7-mer
1fhr
RCSB PDB
PDBbind
7-mer
1fkn
RCSB PDB
PDBbind
7-mer
1j4k
RCSB PDB
PDBbind
7-mer
1joj
RCSB PDB
PDBbind
7-mer
1m4h
RCSB PDB
PDBbind
7-mer
1n7t
RCSB PDB
PDBbind
7-mer
1nlt
RCSB PDB
PDBbind
7-mer
1oh4
RCSB PDB
PDBbind
7-mer
1okw
RCSB PDB
PDBbind
7-mer
1pip
RCSB PDB
PDBbind
7-mer
1py1
RCSB PDB
PDBbind
7-mer
1q5l
RCSB PDB
PDBbind
7-mer
1qsc
RCSB PDB
PDBbind
7-mer
1rzx
RCSB PDB
PDBbind
7-mer
1slg
RCSB PDB
PDBbind
7-mer
1sts
RCSB PDB
PDBbind
7-mer
1tze
RCSB PDB
PDBbind
7-mer
1umw
RCSB PDB
PDBbind
7-mer
1vwn
RCSB PDB
PDBbind
7-mer
2er6
RCSB PDB
PDBbind
7-mer
2joa
RCSB PDB
PDBbind
7-mer
2l7u
RCSB PDB
PDBbind
7-mer
2mip
RCSB PDB
PDBbind
7-mer
2nmb
RCSB PDB
PDBbind
7-mer
2pem
RCSB PDB
PDBbind
7-mer
2pv1
RCSB PDB
PDBbind
7-mer
2q3z
RCSB PDB
PDBbind
7-mer
2w6u
RCSB PDB
PDBbind
7-mer
2w78
RCSB PDB
PDBbind
7-mer
2xqq
RCSB PDB
PDBbind
7-mer
2zlf
RCSB PDB
PDBbind
7-mer
3dda
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PDBbind
7-mer
3ddb
RCSB PDB
PDBbind
7-mer
3fvh
RCSB PDB
PDBbind
7-mer
3ifl
RCSB PDB
PDBbind
7-mer
3ifo
RCSB PDB
PDBbind
7-mer
3ifp
RCSB PDB
PDBbind
7-mer
3l81
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PDBbind
7-mer
3nzi
RCSB PDB
PDBbind
7-mer
3ole
RCSB PDB
PDBbind
7-mer
3olg
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PDBbind
7-mer
3oli
RCSB PDB
PDBbind
7-mer
3rq7
RCSB PDB
PDBbind
7-mer
3rul
RCSB PDB
PDBbind
7-mer
3rum
RCSB PDB
PDBbind
7-mer
3run
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PDBbind
7-mer
3stj
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PDBbind
7-mer
3t6r
RCSB PDB
PDBbind
7-mer
3upv
RCSB PDB
PDBbind
7-mer
3uqr
RCSB PDB
PDBbind
7-mer
3vb6
RCSB PDB
PDBbind
7-mer
3vfj
RCSB PDB
PDBbind
7-mer
3wdc
RCSB PDB
PDBbind
7-mer
3wde
RCSB PDB
PDBbind
7-mer
4aif
RCSB PDB
PDBbind
7-mer
4dfw
RCSB PDB
PDBbind
7-mer
4dvf
RCSB PDB
PDBbind
7-mer
4eqf
RCSB PDB
PDBbind
7-mer
4ezw
RCSB PDB
PDBbind
7-mer
4ezx
RCSB PDB
PDBbind
7-mer
4ezy
RCSB PDB
PDBbind
7-mer
4ezz
RCSB PDB
PDBbind
7-mer
4fbx
RCSB PDB
PDBbind
7-mer
4fgx
RCSB PDB
PDBbind
7-mer
4gne
RCSB PDB
PDBbind
7-mer
4gpl
RCSB PDB
PDBbind
7-mer
4igk
RCSB PDB
PDBbind
7-mer
4j73
RCSB PDB
PDBbind
7-mer
4lp9
RCSB PDB
PDBbind
7-mer
4mn3
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PDBbind
7-mer
4o6w
RCSB PDB
PDBbind
7-mer
4onf
RCSB PDB
PDBbind
7-mer
4tky
RCSB PDB
PDBbind
7-mer
4u0g
RCSB PDB
PDBbind
7-mer
6iso
RCSB PDB
PDBbind
7-mer
4x3i
RCSB PDB
PDBbind
7-mer
4x3k
RCSB PDB
PDBbind
7-mer
4y32
RCSB PDB
PDBbind
7-mer
4y3b
RCSB PDB
PDBbind
7-mer
5cs2
RCSB PDB
PDBbind
7-mer
5hjd
RCSB PDB
PDBbind
7-mer
5j5x
RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
5n7g
RCSB PDB
PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
RCSB PDB
PDBbind
7-mer
5ovv
RCSB PDB
PDBbind
7-mer
5oyd
RCSB PDB
PDBbind
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5w38
RCSB PDB
PDBbind
7-mer
5wxg
RCSB PDB
PDBbind
7-mer
5wxh
RCSB PDB
PDBbind
7-mer
5xo2
RCSB PDB
PDBbind
7-mer
5xof
RCSB PDB
PDBbind
7-mer
5y20
RCSB PDB
PDBbind
7-mer
5yyf
RCSB PDB
PDBbind
7-mer
6b67
RCSB PDB
PDBbind
7-mer
6cen
RCSB PDB
PDBbind
7-mer
6do3
RCSB PDB
PDBbind
7-mer
6exj
RCSB PDB
PDBbind
7-mer
6mnf
RCSB PDB
PDBbind
7-mer
7kme
RCSB PDB
PDBbind
7-mer
8hvp
RCSB PDB
PDBbind
7-mer
6pka
RCSB PDB
PDBbind
7-mer
6p3w
RCSB PDB
PDBbind
7-mer
6oxl
RCSB PDB
PDBbind
7-mer
6om4
RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
6mqm
RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
6frj
RCSB PDB
PDBbind
7-mer
6cn8
RCSB PDB
PDBbind
7-mer
5n7b
RCSB PDB
PDBbind
7-mer
6dn5
RCSB PDB
PDBbind
7-mer
Entry Information
PDB ID
3wdd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Probable ATP-dependent Clp protease ATP-binding subunit(F2Y mutant)
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.18(Å)
Affinity (Kd/Ki/IC50)
Kd=780nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 30883-30891
Ligand Properties
Formula
C
5
6
H
8
4
N
8
O
1
1
Molecular Weight
1045.310
Exact Mass
1044.630
No. of atoms
159
No. of bonds
162
Polar Surface Area
260.97
LOGP Value
5.30 (
Computed with XLOGP3
)
5.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
Canonical SMILES
OC[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)[C@@H](c1cn(c2c1cccc2)C([C@H](O)C)(C)C)O)[C@@H](C=C(C)C)C)CC(C)C)C)[C@@H](c1ccccc1)OC)C
InChI String
InChI=1S/C56H84N8O11/c1-30(2)25-34(8)44-52(71)60-45(47(67)39-28-64(56(11,12)36(10)66)40-24-20-19-23-38(39)40)55(74)63(14)42(27-33(7)29-65)50(69)57-35(9)49(68)61-46(48(75-15)37-21-17-16-18-22-37)53(72)58-43(32(5)6)54(73)62(13)41(26-31(3)4)51(70)59-44/h16-25,28,31-36,41-48,65-67H,26-27,29H2,1-15H3,(H,57,69)(H,58,72)(H,59,70)(H,60,71)(H,61,68)/t33-,34-,35+,36-,41+,42+,43+,44+,45+,46+,47-,48-/m1/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):
P9WPC9
Entrez Gene ID
NCBI Entrez Gene ID:
45427583
885104
ASD
Information of known allosteric effects of PDB entries
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